smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc2c(c1)[C@H](c1ccc(OCCCl)cc1)NCC2 963350910 DYZPTWFULVXEHL-KRWDZBQOSA-N 303.789 3.245 50 1 DGGF C=C1C[C@]2(C=O)C[C@H]1CC[C@H]2[C@@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 238749081 HBAOEKDIZSJEOC-RJGGYNTPSA-N 316.397 3.054 50 1 DGGF C[C@@H]1O[C@]23C[C@@H](c4cccc(Cl)c4)OC(=O)C2=C[C@@]1(C)OO3 96934010 MPXHCBQQKJKLBF-XSBRKMSKSA-N 322.744 3.090 50 1 DGGF Cc1c([C@H](C)Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648446 DUPWRFMVJGNYPV-QMMMGPOBSA-N 316.220 3.336 50 1 DGGF [C-]#[N+]C1=C(C)Nc2oncc2[C@@H]1c1ccc2[nH]nc(OC)c2c1 473183033 KHURTWDLRTTXOR-ZDUSSCGKSA-N 307.313 3.268 50 1 DGGF N#Cc1ccc2c(C(=O)c3cccc(C(=O)Cl)n3)coc2c1 587278039 KHKMDMWHZZHIBB-UHFFFAOYSA-N 310.696 3.309 50 1 DGGF CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2ccccc21 103249344 SHLUFWAPYFJTFP-CYBMUJFWSA-N 308.274 3.080 50 1 DGGF COc1cc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc(OC)c1 653726590 VNDCWOMUZLMDPA-LHHJGKSTSA-N 309.321 3.497 50 1 DGGF Cc1c(C(=O)N/N=C\c2ccc(F)cc2)oc2cccc(O)c12 1911582495 CUTVOBXJJXKYDA-OCKHKDLRSA-N 312.300 3.350 50 1 DGGF CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@]12C=C[C@](C)(O)CC2 2356797854 ONQQPLRBKKJMMK-GCPZOVCVSA-N 315.251 3.425 50 1 DGGF CCN(CC)C(=S)SS(=O)(=O)c1ccc(C)cc1 1860812 OBOBTFMASQIACX-UHFFFAOYSA-N 303.474 3.044 50 1 DGGF CC(=N)/C(C#N)=C(/O)COC(=O)CCSc1ccccc1 101466273 RBKLFAODPHKORA-KVKNYULTSA-N 304.371 3.087 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)CCl)c[nH]1)O2 587374367 XJRZAVCXHJCIJV-OAHLLOKOSA-N 318.760 3.033 50 1 DGGF COc1ccc(-c2cc(C=CC=O)ccc2O)cc1C=CC=O 2356533649 NGLPNRNIJGIQJU-UHFFFAOYSA-N 308.333 3.492 50 1 DGGF O=C(CCC1CCCCC1)N/N=C\c1ccc([N+](=O)[O-])cc1 103167761 MAFHGTIEWPOZMO-ATVHPVEESA-N 303.362 3.405 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169341649 HBOOSNCGKATHOD-QKEBCZOESA-N 322.401 3.341 50 1 DGGF C=C1C[C@@]2(C=O)C[C@H]1CC[C@@H]2[C@@H]1CCC[C@]2(C)C(=O)OC(=O)[C@H]12 2356616816 HBAOEKDIZSJEOC-XWYPDZOISA-N 316.397 3.054 50 1 DGGF CCc1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1 72173635 LSHUCLRHYIPMEU-UHFFFAOYSA-N 302.326 3.349 50 1 DGGF CC(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@](C)(OO)CC2)OC1(C)C 238751769 PSVWNULAYFQYQR-OHFALNGGSA-N 312.406 3.480 50 1 DGGF C[C@H](NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 6437421 HOLGGBLXWXDABY-JTQLQIEISA-N 309.291 3.096 50 1 DGGF CCCC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 43845643 WFEXSHFUYVONEV-BSWAFRJZSA-N 310.390 3.319 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2cccc(C#N)c2[nH]1 586970747 FRPKPYACTHZZIC-LLVKDONJSA-N 308.179 3.296 50 1 DGGF O=C1C[C@](CCl)(c2cnon2)Oc2c1ccc1c2CCCC1 587499053 RJLZTIFBEJQIRM-INIZCTEOSA-N 318.760 3.048 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2cccc(C#N)c2[nH]1 586970748 FRPKPYACTHZZIC-NSHDSACASA-N 308.179 3.296 50 1 DGGF CN1C(=O)C[C@@H]2CN[C@]3(CCCC[C@H]3Cl)c3cccc1c32 963034090 QJMUCGMHXKJURF-JDSLSITLSA-N 304.821 3.117 50 1 DGGF O=C1CCc2c(nc3cccc4c3c2CC4)[C@H]1Br 587208721 ABDKAWZVGKCTPU-AWEZNQCLSA-N 302.171 3.285 50 1 DGGF CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43308032 JLYUTVWRSSYYKV-FMARYKTNSA-N 310.390 3.175 50 1 DGGF C=C(C(=O)O)[C@@H]1C[C@H](CC(=O)O)[C@]2(C)CCCC(=C)[C@@]2(OO)C1 2356596303 FQPKLWGXZMIQJG-OMNBBPDLSA-N 324.373 3.103 50 1 DGGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCl)c1ncco1 963112480 SXPCXBSTTYTRFJ-BBRMVZONSA-N 306.768 3.317 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2ccnc(Cl)c2[nH]1 586970316 CXOUVAUGQJTWCM-QMMMGPOBSA-N 318.602 3.472 50 1 DGGF O=C(NN/C=C1/C=CC=N1)c1sc2ccccc2c1Cl 13118975 NOFOSSOCDLGBMH-HJWRWDBZSA-N 303.774 3.271 50 3 DGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](C=CC=CC)O1 2356456308 YXOOXRMKKQERSU-QAETUUGQSA-N 308.805 3.395 50 1 DGGF CC(C)(C)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 587009374 CBEUZHRYASVYER-UHFFFAOYSA-N 307.825 3.451 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](Br)C(C)C)O2 587375124 RCQKLKCIRAFYGN-QWHCGFSZSA-N 312.207 3.331 50 1 DGGF CCOc1ccc(NCC(=O)N/N=C(/C)c2ccccc2)cc1 5823142 CXLYMIINKJVLMX-ZHZULCJRSA-N 311.385 3.038 50 1 DGGF N#CC(=Cc1ccc(O)cc1)C(C#N)=Cc1ccc(O)c(O)c1 2356626950 QKTDXCGSVOFXLS-UHFFFAOYSA-N 304.305 3.318 50 1 DGGF CCCCCCNC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 45320373 QMARIIKNKHKHGL-NHTOTWMQSA-N 308.338 3.066 50 1 DGGF CC1(C)C=C(C=CBr)[C@@H](O)C[C@@H]1Br 2356557850 DPDAVBNPZDMGLL-IUCAKERBSA-N 310.029 3.376 50 1 DGGF Cc1ccccc1-c1cn(CCSSCCN(C)C)nn1 618010419 WYVVJCIVVCBZCM-UHFFFAOYSA-N 322.503 3.197 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCC(C=O)=C1Cl)O2 587380160 BWKJXYSJRMQLMH-NHYWBVRUSA-N 319.788 3.403 50 1 DGGF O=C(N/N=C/c1ccc2cc(O)ccc2c1)c1ccccc1O 1772590828 WKWBRLIGMFVPRJ-YBFXNURJSA-N 306.321 3.015 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169366147 XGVPEEHFWWRAFG-ADVZIQNASA-N 324.417 3.421 50 1 DGGF COc1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586971155 NHVYKHXISBGAPS-LLVKDONJSA-N 313.195 3.433 50 1 DGGF O=C(c1cccc(I)c1)C(Cl)Cl 1857648714 VSZSZPXQLROQLF-UHFFFAOYSA-N 314.937 3.278 50 1 DGGF C=C1C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1CC=C(C)C=O 2356466437 GFRKOEGPMYJNGJ-NRUGXNMXSA-N 306.446 3.262 50 1 DGGF CCC/C=C/C/C=C/C=C/C=N/NS(=O)(=O)CCCCl 73277661 YVRJIVUUZLTXFK-LQBZDSRVSA-N 318.870 3.379 50 1 DGGF CCOc1ccc(C(=O)N/N=C\c2cccc3cccnc23)cc1 33314090 AYZSUTXQDSXZBC-BKUYFWCQSA-N 319.364 3.397 50 1 DGGF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@]13C=C(C=O)[C@H](CC[C@H]12)C3 238748187 NHEOPEUDQXKFRV-XMBTWWKRSA-N 318.457 3.098 50 1 DGGF COc1cccc2nc([C@H](Br)C(C)(C)OC)[nH]c12 586971654 VJXDNWVFKSKASY-NSHDSACASA-N 313.195 3.433 50 1 DGGF CCCCC[C@@H]1C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 4357429 HJUUUGDRRUIJBR-JNCYRGSCSA-N 301.434 3.419 50 3 DGGF O=C(CCl)NC(=O)Nc1ccc(OC2CCCCC2)cc1 40918267 ZSAYTBMUZWUJAT-UHFFFAOYSA-N 310.781 3.285 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCC1)O2 587370453 BMZWQEMGRQGYKQ-OAHLLOKOSA-N 324.218 3.476 50 1 DGGF COC(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495947 HDKFBEWDNXEWAJ-DOTOQJQBSA-N 322.788 3.070 50 1 DGGF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2[C@@H](Cl)CCN3C 2356563154 RRGNVROICAKYCS-SCTFDZSOSA-N 304.821 3.064 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 59495031 SHQNSZSAVUDQKH-HNNXBMFYSA-N 302.761 3.271 50 1 DGGF COc1cc(OC)cc(/C(=C\C#N)c2ccc(OC)c(N)c2)c1 84544526 BMRJSQBKBWMUHY-SOFYXZRVSA-N 310.353 3.250 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl 35812230 HIBGPRWWCKCJIN-HNNXBMFYSA-N 320.751 3.410 50 1 DGGF C=CCOc1ccc(OCC=C)n1-c1ccnc(CCl)n1 587939090 BKVUCUDZVWNSCQ-UHFFFAOYSA-N 305.765 3.136 50 1 DGGF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H](Cl)CCl)nc1-2 587009122 WIIQXTCXWWKASK-REOHCLBHSA-N 319.501 3.495 50 1 DGGF C/C=C/C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169365970 HBOOSNCGKATHOD-HUBBPYQKSA-N 322.401 3.341 50 1 DGGF CCCCCNC(=O)c1cc2cc(CCl)ccc2oc1=O 1660777 ACSDNUUONNFHFX-UHFFFAOYSA-N 307.777 3.452 50 1 DGGF COc1nccc2nc([C@H](Br)C(C)(C)F)[nH]c12 587087900 YJCRGYNCBPUXAO-QMMMGPOBSA-N 302.147 3.151 50 1 DGGF COc1ccc(C/C(C#N)=C(\C#N)Cc2cc(O)ccc2O)cc1 238754555 OXNVZLNMOUKEME-FOCLMDBBSA-N 320.348 3.235 50 1 DGGF NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1 107490 XEFGFALNYQPUBX-UHFFFAOYSA-N 321.711 3.086 50 3 DGGF O=C(/N=C1\SSC2=NCCN21)c1ccc2ccccc2c1 38440996 MVBSHSGLGPUELI-ICFOKQHNSA-N 313.407 3.403 50 1 DGGF CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43308034 JLYUTVWRSSYYKV-PWWGLGRLSA-N 310.390 3.175 50 1 DGGF BrC/C=C/c1nc2cncc(Br)c2[nH]1 586972476 SVRFIHMYKONBON-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 43397126 AZHCFVWAMHCBIV-GWYTWCQOSA-N 323.433 3.090 50 1 DGGF C[C@H](Br)c1nc2c(F)cnc(Br)c2[nH]1 587008133 HVSHZAARNGSEEJ-VKHMYHEASA-N 322.963 3.315 50 1 DGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](C=CC=CC)O1 2356456310 YXOOXRMKKQERSU-YVSFHVDLSA-N 308.805 3.395 50 1 DGGF CC=C(C)C(=O)OC[C@@]1(C)[C@H]2CC=C(C=O)[C@@]3(C2)C(=O)CC[C@@H]31 2356564314 YUKYBBOQNUTDCI-ARKSPBFVSA-N 316.397 3.017 50 1 DGGF C/C(Cc1ccccc1)=N/NC(=O)c1c[nH]c2ccc(O)cc12 96907817 GPLAVVLHFOREAU-NDENLUEZSA-N 307.353 3.222 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](Br)C(C)C)O2 587375123 RCQKLKCIRAFYGN-OLZOCXBDSA-N 312.207 3.331 50 1 DGGF C=C1C[C@@]2(C=O)C[C@H]1CC[C@@H]2[C@@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 2356616814 HBAOEKDIZSJEOC-MBLOEGTOSA-N 316.397 3.054 50 1 DGGF CCOC(=O)c1ccc(NC(=O)O/N=C(/Cl)CCl)cc1 73332370 BNOOTPRVWGIWIX-MHWRWJLKSA-N 319.144 3.203 50 1 DGGF CN(C)C[C@H](Br)c1cccc(Br)c1 169345627 JYGMGIGGNQPXFS-JTQLQIEISA-N 307.029 3.447 50 1 DGGF [C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 261153370 PJKGHVBBXCIBQQ-GJZGRUSLSA-N 309.373 3.129 50 1 DGGF C=C1CC[C@@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@@H]1CC2(C)C 8214937 HIFLEGNWVFLGLY-IGQOVBAYSA-N 304.386 3.054 50 3 DGGF in-vitro Oc1cc(C2CCCCC2)c(O)n1-c1ccnc(CCl)n1 587941564 WIGHEWBOZXBNHX-UHFFFAOYSA-N 307.781 3.465 50 1 DGGF CCN(C(=O)CCl)c1ncc(-c2ccc(OC)cc2)s1 1857745725 YZALXIKWNRFFDX-UHFFFAOYSA-N 310.806 3.410 50 1 DGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1CO/C=C/CO 195289417 SQSFSLIAJHLQLM-JRNZPDHYSA-N 302.487 3.078 50 1 DGGF O=[P@](O)(OCC1CCCC1)N(CCCl)CCCl 27652351 HRKKYKAMPYGJII-UHFFFAOYSA-N 304.154 3.073 50 1 DGGF C[C@H]1COc2ccccc2N1C1=NC(=O)[C@@](C)(CCCl)S1 103184057 DQUBQYVVQFVTDH-ZUZCIYMTSA-N 324.833 3.291 50 1 DGGF CO[C@]12CC(C)=CCC[C@H](C)C(=O)[C@@H](Cl)C1=C(C)C(=O)O2 2356321710 MGRCBCNJMNFAOW-NKFCBESUSA-N 312.793 3.145 50 1 DGGF C=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]2CC=C(C=O)[C@@]3(O)C=O)C[C@H]1C 2356713221 BYJVGYGCKLVETO-SGVRORHPSA-N 302.414 3.080 50 1 DGGF CC1(C)OC2=C(C[C@@H]1Br)C(=O)c1ccccc1C2=O 40576748 LGBDVEWIFJWNAE-NSHDSACASA-N 321.170 3.282 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1Br)O2 587371915 IAKKWVBFANHDJW-GXTWGEPZSA-N 310.191 3.229 50 1 DGGF BrC/C=C\c1nc2cncc(Br)c2[nH]1 586972477 SVRFIHMYKONBON-UPHRSURJSA-N 316.984 3.129 50 1 DGGF COc1ccc([C@]2(CCl)NCCc3ccc(O)cc32)cc1F 963339688 APMILGWTPKMSJI-KRWDZBQOSA-N 321.779 3.168 50 1 DGGF CC(C)(C)c1cccc2nc(C(C)(C)NC(=O)CCl)[nH]c12 587009912 XEHVEUROWVXQAX-UHFFFAOYSA-N 307.825 3.451 50 1 DGGF CCn1ncc(C#Cc2cc(Cl)ccc2OC)c1C(=O)Cl 587903065 VVHAZIVNSWQMOO-UHFFFAOYSA-N 323.179 3.344 50 1 DGGF COc1ccc(C(=O)N/N=C(C)\C=C(/O)c2ccccc2)cc1 102674811 NDSBHADIGKLRGP-JOSACAGISA-N 310.353 3.400 50 1 DGGF Cc1ccc(C2=C(C#N)[C@@H](N)OC3=C2COc2ccccc23)cc1 31905179 ZIIDTTNNPHUGIN-FQEVSTJZSA-N 316.360 3.391 50 1 DGGF O=C1c2nc3cccc4c3c(c2CC[C@H]1Br)CC4 587209190 JDSVKULMJCEKPG-LLVKDONJSA-N 302.171 3.226 50 1 DGGF C[C@@H](Br)[Si](C)(c1ccccc1)c1ccccc1 217584915 DUGUBGTUPIWVPI-ZDUSSCGKSA-N 305.291 3.202 50 1 DGGF CC1(C)C=C(/C=C/Br)[C@@H](O)C[C@H]1Br 238733560 DPDAVBNPZDMGLL-DXMIZCBPSA-N 310.029 3.376 50 1 DGGF Cc1cccc(C)c1NC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 28528762 LSIMQSOKTIUIFT-LICLKQGHSA-N 312.329 3.367 50 1 DGGF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Cl 40412170 HMDAMCMNIKFROK-NYNLCMDTSA-N 303.761 3.309 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169365969 HBOOSNCGKATHOD-NENILIJQSA-N 322.401 3.341 50 1 DGGF Cc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 33977442 HEXHSBIJHSHFLC-MRXNPFEDSA-N 302.337 3.090 50 1 DGGF O=S(=O)(O)SCCNCCCCCC1CCCCC1 31342852 DKHIPBODAIIIGZ-UHFFFAOYSA-N 309.497 3.253 50 1 DGGF O=C(N/N=C/c1cc(Br)cs1)c1cccs1 8044602 YMMZVAOSEVOWLE-LFYBBSHMSA-N 315.217 3.336 50 1 DGGF Cc1nnc(NNC(=O)C(C)C)cc1Cc1ccccc1Cl 26247008 OYRRZPHMRQKOND-UHFFFAOYSA-N 318.808 3.128 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587188702 UVLZDTYZQNJMBC-IZZDOVSWSA-N 301.309 3.209 50 1 DGGF CCCc1c(O)ccc2c1O[C@](CCl)(COCC)CC2=O 587461121 XDGBHHKMENZNQH-MRXNPFEDSA-N 312.793 3.324 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169341646 HBOOSNCGKATHOD-GECGGYFZSA-N 322.401 3.341 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 100861268 AZHCFVWAMHCBIV-SKUOUFDCSA-N 323.433 3.090 50 1 DGGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@@H]1Cl 587461887 NUDXTQUAJDCLSQ-HYVNUMGLSA-N 324.804 3.465 50 1 DGGF O=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 54883634 ATERQKXYCBXUOY-UDWIEESQSA-N 318.332 3.302 50 1 DGGF COCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Cl 103272733 NIXYDVSEFJFVPK-DGDCUBRUSA-N 316.228 3.499 50 1 DGGF CC1(C)[C@H](Br)C[C@H]2O[C@]2(C)[C@]12C=C[C@](C)(O)CC2 2356797855 ONQQPLRBKKJMMK-MFHWUAJNSA-N 315.251 3.425 50 1 DGGF C[C@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 38420757 HFBBAANNESGPQZ-ISJOWMGUSA-N 316.441 3.328 50 1 DGGF CC(C)c1csc(C(=O)N/N=C/c2ccc(N(C)C)cc2)n1 45259479 SPBJMAUBMOCPPX-RQZCQDPDSA-N 316.430 3.096 50 1 DGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CC[C@@]3(C)O[C@H](O)[C@@]12O3 143685058 LJLZJJKLXWEJAB-OJFNHCPVSA-N 311.447 3.144 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2nc(Cl)c[nH]c-2n1 587086949 JUTROHCOVGEHIP-RXMQYKEDSA-N 307.554 3.142 50 1 DGGF C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(C)o1 13110534 IWISWLHQZABILK-ZSOIEALJSA-N 311.135 3.098 50 3 DGGF COC1=C/C(=C/C(C#N)=C2/NC3=C(CCCC3)S2)C=CC1=O 15974546 HMAPPKVZKDTTLM-OENGIGCFSA-N 312.394 3.439 50 3 DGGF CC(C)c1ccc(N2N=C3CSCC=C3C(C#N)=C2N)cc1 13838651 XUJVPTGQNJEYIV-UHFFFAOYSA-N 310.426 3.353 50 1 DGGF O=C(c1ccc(Br)c([N+](=O)[O-])c1)C(Cl)Cl 196252654 VQCRUKVDSKVKCB-UHFFFAOYSA-N 312.934 3.344 50 1 DGGF C[C@H](NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 6437358 LDQXQZDEPQBVDL-VIFPVBQESA-N 310.184 3.384 50 1 DGGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@H]1Cl 587461886 NUDXTQUAJDCLSQ-DJIMGWMZSA-N 324.804 3.465 50 1 DGGF CC1(C)OC2=C(C[C@H]1Br)C(=O)c1ccccc1C2=O 40576746 LGBDVEWIFJWNAE-LLVKDONJSA-N 321.170 3.282 50 1 DGGF Cl[C@@H](Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1 40403927 AXVANFGGVFBCHD-AWEZNQCLSA-N 313.792 3.381 50 1 DGGF ClC(Cl)C=C(Br)I 2356719576 BPZYZHQRMWWPIT-UHFFFAOYSA-N 315.763 3.461 50 1 DGGF C=CCOCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@]12[C@@H](OC)O3 43328110 IUJFBNVQQBEODJ-XAJHFOFHSA-N 312.406 3.195 50 1 DGGF C/C=C\C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 194889068 HBOOSNCGKATHOD-WFISLAALSA-N 322.401 3.341 50 1 DGGF O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 1857605659 ZFXXLWXYNVBACD-RGVLZGJSSA-N 302.337 3.413 50 1 DGGF CN(C)CCSSCCNC(=O)c1cccc(C2CC2)c1 618008862 MHULICRQCGVMIP-UHFFFAOYSA-N 324.515 3.237 50 1 DGGF O=C(O)c1cc2cc(N(CCCl)CCCl)ccc2[nH]1 2031263 OYPDCLOVHXBMAY-UHFFFAOYSA-N 301.173 3.150 50 1 DGGF N#C/C(C(=O)Nc1ccc(F)cc1)=C(/O)c1ccc(F)cc1 47367822 GCZSQCJEHCRRGC-PFONDFGASA-N 300.264 3.396 50 1 DGGF N#CC(=C\c1ccc(O)cc1)/C(C#N)=C/c1ccc(O)c(O)c1 224677897 QKTDXCGSVOFXLS-IROCBMIISA-N 304.305 3.318 50 1 DGGF CC(C)C1=C2CC=C(C=O)[C@H]3C(=O)[C@H](O)[C@H](C)[C@@H]3C[C@@]2(C)CC1 238742927 IUXNFOSJQWRNNO-LEGRPXALSA-N 316.441 3.470 50 1 DGGF COC(=O)C12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@@H](C3)C2 102044859 WVCCXAVCOSGLPO-XZKRMCKQSA-N 322.401 3.321 50 1 DGGF Oc1cc(-c2ccccc2)c(O)n1-c1ccnc(CCl)n1 587940140 MWNZIYCOJPEUSM-UHFFFAOYSA-N 301.733 3.084 50 1 DGGF O=C(OC1CSSC1)c1ccc(Br)cc1 96283343 HPRRQXUOHKBIAY-UHFFFAOYSA-N 305.218 3.370 50 1 DGGF COC(=O)N[N+](=O)[C@@H](c1ccc(OC)cc1)C1CCCCC1 149131048 HPXCZPHXMGWMRR-OAHLLOKOSA-O 307.370 3.367 50 1 DGGF O=C(N/N=C(/c1ccccc1)c1cccnc1)c1cccc(F)c1 2747380 KMGQGYCYIOHMTK-PYCFMQQDSA-N 319.339 3.403 50 1 DGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@@H]3CCC(=O)C[C@@H]3CC[C@@]12C 2356339721 VOQNECNRNGXENR-GKDNMFGBSA-N 300.398 3.433 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](OC(C)(C)C)[C@H]1Cl)O2 587380146 BOEFBULFQRDFMF-FRFSOERESA-N 323.820 3.476 50 1 DGGF CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 64479888 MZEQRHGINLJOQX-WOJGMQOQSA-N 300.358 3.214 50 1 DGGF C=C(C=O)[C@H]1Cc2cc([C@@H](C)OC(=O)/C(C)=C/C)ccc2O1 238741267 HUQITUMVDCBAQQ-KERBNWMQSA-N 300.354 3.316 50 1 DGGF C=C(C)[C@H](O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@](C)(O)CC[C@H]2Br 2356402250 CLUMRIQLNFWQES-HGPDSQILSA-N 317.267 3.264 50 1 DGGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/C=O 194844165 AOBRDVURBPPWMJ-MPKNTLMZSA-N 300.471 3.283 50 1 DGGF O=C(OC1CSSC1)c1cccc(Br)c1 96911560 AEDOKRGJLNOXQJ-UHFFFAOYSA-N 305.218 3.370 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CC1)O2 587370435 BGMMSQNZZZTSFK-AWEZNQCLSA-N 310.191 3.086 50 1 DGGF CCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@@H]1C 36289047 UEZDCSUAQJCNJF-ZBQKJFDRSA-N 323.481 3.092 50 1 DGGF Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(CCl)n1 587941798 YFTREMXLALMUGQ-UHFFFAOYSA-N 315.760 3.008 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195277366 XGVPEEHFWWRAFG-DYURDDEGSA-N 324.417 3.421 50 1 DGGF O=C(N/N=C/c1ccccc1O)c1ccc(C(F)(F)F)cc1 1857755565 YETFAFYLIRLENJ-DJKKODMXSA-N 308.259 3.175 50 1 DGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cnncc2[nH]1 586973141 FXXUFWOEIMHTAT-VIFPVBQESA-N 317.190 3.400 50 1 DGGF COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H](C4)[C@@H]1Cl)[C@@H](C2)C3=O 587418090 ACODBXNNNXIHLU-YAWYETHSSA-N 304.773 3.219 50 1 DGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCCCC[C@@H]2Cl)N1 962905098 YGPSEQDLJYLFTJ-DZKIICNBSA-N 311.784 3.191 50 1 DGGF NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccsc2)n1 29407211 UWLXYPPXWLPGTE-UHFFFAOYSA-N 308.366 3.048 50 1 DGGF O=C(O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 95809740 CGOLVSDNXNTLRQ-GZTJUZNOSA-N 310.781 3.215 50 1 DGGF C[C@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587009063 UHZHSQTYGAARTG-ZETCQYMHSA-N 309.142 3.344 50 1 DGGF CCOC(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973174 GDXVLOXKCXUPEC-ONEGZZNKSA-N 309.163 3.148 50 1 DGGF CCOC(=O)[C@]1(CCCCCCl)NCCc2c(C)ccnc21 963095128 ZNEPCGASHJAXKA-QGZVFWFLSA-N 324.852 3.093 50 1 DGGF Cc1ccc([C@@H]2Oc3ccc(/C=C\C=O)cc3O[C@H]2CO)cc1C 69481926 SKOCITCMQXEGPF-FZZLMOMWSA-N 324.376 3.389 50 1 DGGF biogenic,in-vitro CC[C@@H](Cc1ccccc1)NNC(=O)c1cc2ccccc2[nH]1 1857619626 LBZHIPJSDJNUGE-INIZCTEOSA-N 307.397 3.424 50 1 DGGF N#CSCCOc1ccc([S@@](=O)c2ccccc2)cc1 27310953 XOMCXSLXUWBNQB-HXUWFJFHSA-N 303.408 3.446 50 1 DGGF CC(C=O)=CC=C[C@@]1(C)[C@H]2CC[C@H]3CCC=C(C=O)[C@H]([C@@H]32)[C@H]1O 2356538097 RDJFOFSFIUZPEW-LKERMYKISA-N 314.425 3.246 50 1 DGGF C[C@@H]1C(=O)O[C@]2(C)O[C@@]3(C)CC[C@]4(C)[C@@H](C)CC[C@@H]1[C@@]24OO3 2356713269 CZGGCUQXLAWLPG-HSFMQXSESA-N 310.390 3.175 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@H]1O 2356756808 RMJPNJYVWXJAHL-XGUBFFRZSA-N 313.235 3.204 50 1 DGGF N#C/C(=C\c1ccco1)C(=O)Nc1nnc(-c2ccccc2)s1 115732693 ATZYSDQCRVRCEQ-FMIVXFBMSA-N 322.349 3.344 50 1 DGGF CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(N)cc1 71329948 RBOGNYZSAOQLPE-VMPITWQZSA-N 302.337 3.212 50 1 DGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@](C)(OO)CC[C@H]1C2(C)C 49881538 BSFICGFQJWDMBX-WTTBNOFXSA-N 308.374 3.421 50 1 DGGF Cc1ccc([C@]2(CCl)NCCc3c2c(C(C)C)nn3C)cc1 962924160 VRSIYFLGVRXWDJ-SFHVURJKSA-N 317.864 3.480 50 1 DGGF CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc1 1857647637 IGADSXFHRVMFOA-YBFXNURJSA-N 312.369 3.159 50 1 DGGF O/N=C(/CI)c1ccc2ccccc2c1 36382722 VNHWNCKSBGUUCN-OWBHPGMISA-N 311.122 3.453 50 1 DGGF CN(C)CCSSCCNC(=O)CCC1CCCC1 618009404 CNMHMGLAXARBKH-UHFFFAOYSA-N 304.525 3.016 50 1 DGGF C/C=C/C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 299819562 HBOOSNCGKATHOD-MZHKYUSBSA-N 322.401 3.341 50 1 DGGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 2356793437 HFOHBOJAMAWSIQ-NZBPQXDJSA-N 315.251 3.184 50 1 DGGF CC(C)C1=C2C/C=C(\C=O)[C@@H]3C(=O)[C@@H](O)[C@@H](C)[C@H]3C[C@]2(C)CC1 169370460 IUXNFOSJQWRNNO-YUJGVLSQSA-N 316.441 3.470 50 1 DGGF CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 38158811 JLYUTVWRSSYYKV-JUCPXWHTSA-N 310.390 3.175 50 1 DGGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/C(=O)O 195251577 PTDOYLBNFMEWOY-AYGDIQGNSA-N 316.470 3.169 50 1 DGGF COc1cc2nc(CCCCBr)[nH]c2cc1F 586972717 ZQWKHRCIIUZEFS-UHFFFAOYSA-N 301.159 3.428 50 1 DGGF C=C(C=O)[C@@H]1Cc2cc([C@H](C)OC(=O)C(C)=CC)ccc2O1 2356375813 HUQITUMVDCBAQQ-GUYCJALGSA-N 300.354 3.316 50 1 DGGF Oc1ccc(OCc2ccccc2)n1-c1ccnc(CCl)n1 587941406 UUUQJTFZIQTLRM-UHFFFAOYSA-N 315.760 3.291 50 1 DGGF NNC(=O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586879651 HGRUURRNEYYWSI-UHFFFAOYSA-N 306.369 3.101 50 1 DGGF N[P@](=O)(NCCC(Cl)Cl)O/N=C\C1CCCC1 29475129 HQEPXLRHMIKUEV-KYTCBBFDSA-N 302.142 3.029 50 1 DGGF CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN/C=C2/C=CC=N2)cc1 15962041 BUFPQBJAVBDKFB-HHDOJMEMSA-N 309.413 3.190 50 3 DGGF C/C=C/C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 58689842 HBOOSNCGKATHOD-AMTFFIOUSA-N 322.401 3.341 50 1 DGGF CN(/N=N/c1ccc(C#N)cc1)C(=O)CCc1ccc(O)cc1 1772602600 OKXLRTYEGMIUHG-FMQUCBEESA-N 308.341 3.354 50 1 DGGF CCOP(=S)(OCC)Oc1ccc([S@@](C)=O)cc1 2041036 XDNBJTQLKCIJBV-SFHVURJKSA-N 308.361 3.100 50 1 DGGF in-vitro CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 34020099 BIMACLOHUHTCPM-GOSISDBHSA-N 321.380 3.345 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2c(Cl)ncnc2[nH]1 587086514 BWILJVIECGBOAG-YFKPBYRVSA-N 307.554 3.190 50 1 DGGF Cc1cc(Oc2ccc(/C=N/NC(N)=O)cc2)ccc1Cl 27319296 MJGJWBLOBMOEOF-GIJQJNRQSA-N 303.749 3.443 50 1 DGGF CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(O)c1 299863312 KXQKMVJSJJLDKB-UKTHLTGXSA-N 304.353 3.399 50 1 DGGF C/C(C=O)=C\C[C@H]1[C@](C)(O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]21C 1772629415 KRKJFCIOLHVFGC-KIWVHQHASA-N 308.462 3.486 50 1 DGGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43N=C=O)[C@H]1CCC2=O 253663203 FLWQFCHCLDKUEJ-RFLLJTPXSA-N 313.397 3.156 50 1 DGGF CCCC[C@@]12CC[C@@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 43381904 WFEXSHFUYVONEV-DCKPPDLLSA-N 310.390 3.319 50 1 DGGF CC(/C=C/c1ccco1)=N/NC(=O)c1cc(Cl)ccc1O 196800 UILGZOPYAIEXTJ-CGNYTJTASA-N 304.733 3.458 50 1 DGGF COC(=O)c1cccc(OCC2=CC=C(CO)SS2)c1 6482689 DYMUYPHECKOTED-UHFFFAOYSA-N 310.396 3.007 50 1 DGGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 34041556 GFBMBCIVYMYZRM-KRWDZBQOSA-N 317.348 3.395 50 1 DGGF O=C1OC(=O)c2c1c1ccccc1c1[nH]c3ccc(O)cc3c21 43491049 RFZXVJYWNRGHRI-UHFFFAOYSA-N 303.273 3.491 50 1 DGGF CC1(C)C[C@H]([C@]2(O)C=CC(=O)CC2)CC[C@@H]1Br 14585351 JZGTULZWFXGHMA-OSMZGAPFSA-N 301.224 3.226 50 1 DGGF biogenic O=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1 96167316 IGROMHWFZOGNNP-DJKKODMXSA-N 305.740 3.041 50 1 DGGF CCOC(=O)[C@H](Cl)[C@@]1(CC)NCCc2ccc(F)c(C)c21 962304253 ZJESQPYLTNMQRQ-HOCLYGCPSA-N 313.800 3.056 50 1 DGGF N#CC(=C\c1[nH]c2ccccc2c1O)/C(N)=N/Cc1ccccc1 5731387 ISPBWMUEHXNNIO-GXDHUFHOSA-N 316.364 3.338 50 1 DGGF O=C(O)CCCCCc1cccc(NC(=O)NCCCl)c1 29064216 XBSWZECSDOIHDJ-UHFFFAOYSA-N 312.797 3.234 50 1 DGGF C=C(C)[C@H](O)[C@@H]1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]12 140117738 CLUMRIQLNFWQES-GXYBRJDSSA-N 317.267 3.264 50 1 DGGF Oc1ccc2c(c1)[C@@H](c1ccc(OCCCl)cc1)NCC2 963350911 DYZPTWFULVXEHL-QGZVFWFLSA-N 303.789 3.245 50 1 DGGF C=CCn1c(-c2ccccc2)c(/C=N/NC(N)=O)c2ccccc21 103222180 PJPBDMSQEAQKSC-FYJGNVAPSA-N 318.380 3.497 50 1 DGGF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C=C(C=O)[C@H](CC[C@H]12)C3 238761967 NHEOPEUDQXKFRV-XSMYQPMNSA-N 318.457 3.098 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2cc3cn[nH]c3cc2[nH]1 586971344 QRWNMIDFODYUOO-LLVKDONJSA-N 323.194 3.300 50 1 DGGF CCCCCCCSC(=S)NNC(=O)c1ccncc1 169336960 YSSSMOMIAAKZKR-UHFFFAOYSA-N 311.476 3.305 50 1 DGGF COc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@H]2C)cc1 1772627214 SHCMXRCKEDIACI-DZUMZMOTSA-N 322.364 3.275 50 1 DGGF O=C(/N=C1\SSC2=NCCN21)c1cccc2ccccc12 38440995 USGXPYWTILINMW-ICFOKQHNSA-N 313.407 3.403 50 1 DGGF N#Cc1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 43606078 IPIVMVHEADJWCA-UHFFFAOYSA-N 303.358 3.287 50 1 DGGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@@H](O)C2 199705721 FRWZPOWVSVGUBL-OSRDXIQISA-N 317.267 3.408 50 1 DGGF C[C@]1(OO)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 95909507 BPTFMXPYKVCKDB-GJWDPZFISA-N 324.461 3.365 50 1 DGGF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1cnn(CCCl)c1C 587902595 HXWOCOONXYGNDO-UHFFFAOYSA-N 309.196 3.492 50 1 DGGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 13379261 RLCBOPJHZRVMGC-RJZRQDKASA-N 315.251 3.184 50 1 DGGF COc1cc(OC)cc(N2C(=O)C(C#N)=C(C)/C2=C/C(C)C)c1 64415660 BYPVPDOLPDBKBN-FMQZQXMHSA-N 312.369 3.430 50 1 DGGF Fc1cccc([C@]2(CCl)NCCc3nc4ccccn4c32)c1 962984283 MTCZCNWTKDSYHJ-KRWDZBQOSA-N 315.779 3.102 50 1 DGGF COc1ccc(Cl)cc1C#Cc1cn(CCCl)nc1C 587909349 PQABZZJEUNNBPA-UHFFFAOYSA-N 309.196 3.492 50 1 DGGF Cc1ccc(C(=O)N/N=C2\C(O)=Nc3ccc(Cl)cc32)cc1 13988865 YBDSWZYKGGHXOE-UHFFFAOYSA-N 313.744 3.384 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 58601868 HBOOSNCGKATHOD-VOTLIZNLSA-N 322.401 3.341 50 1 DGGF CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(O)cc(O)c2)cc1 220926174 AQQGSNZKFTVGCL-YBFXNURJSA-N 312.369 3.159 50 1 DGGF C[C@H]1OC(=O)/C(=C/CCCCCCCCC/C=C/C=O)[C@@H]1O 85997315 AZUPKVUOQZNWFX-MYOGVJFMSA-N 308.418 3.485 50 1 DGGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@@H]2C(=O)OCC[C@]12C 621431374 VOQIAQCJXHGYCY-XJKCOSOUSA-N 312.482 3.309 50 1 DGGF CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN/C=C2/C=CC=N2)cc1 15962045 BUFPQBJAVBDKFB-IDDMRKIPSA-N 309.413 3.190 50 3 DGGF CO[C@]1(C)OOC(c2ccccc2)(c2ccccc2)C[C@H]1CO 1857606269 HRSWTXVREYRKBC-ZWKOTPCHSA-N 314.381 3.253 50 1 DGGF CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 28655114 IXBCZHOTZLYJDA-CUDHKJQZSA-N 316.441 3.326 50 1 DGGF biogenic O=C(NNc1c(Cl)cncc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2 84758538 ARNWNXWNQVPINP-YIZRAAEISA-N 300.189 3.268 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccn(C)c1)O2 587373867 TYHHZVAUXRAHQR-MRXNPFEDSA-N 304.777 3.015 50 1 DGGF COc1ccc(C2OOC(c3ccc(OC)cc3)OO2)cc1 38158852 RRUWKDOYWDJJOM-UHFFFAOYSA-N 304.298 3.311 50 1 DGGF CC(C=O)=CC=C[C@]1(C)[C@H](O)[C@@H]2C(C=O)=CCC[C@@H]3CC[C@@H]1[C@@H]32 2356538098 RDJFOFSFIUZPEW-PJACHSRJSA-N 314.425 3.246 50 1 DGGF O=[N+]([O-])c1cc2nc(/C=C/CBr)[nH]c2cc1F 586973096 FKVZESIKBXISDN-OWOJBTEDSA-N 300.087 3.018 50 1 DGGF N#C[C@@H](C(=O)CCl)c1nc2c(s1)CCc1ccccc1-2 169689625 RTIIMBNVGDBJKS-NSHDSACASA-N 302.786 3.324 50 1 DGGF CC[C@]1(CCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O 103184050 RTWXEKVBUSNILF-ZUZCIYMTSA-N 324.833 3.291 50 1 DGGF C#CC=CC[C@H](O)[C@@H]1CC=CC[C@H](Br)[C@@H](CC)O1 2356313072 RXIQGLNKHUBBCS-XQLPTFJDSA-N 313.235 3.204 50 1 DGGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCC(O)CC2)OO1 43523573 ZQWDLTJAXZIERK-PCKAHOCUSA-N 310.777 3.331 50 1 DGGF CC(C)(C)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2n1 586906092 IZLHNVCFMDYMCZ-UHFFFAOYSA-N 321.336 3.233 50 1 DGGF CC1(C)[C@H](Br)C[C@H]2O[C@@]2(C)[C@]12C=C[C@](C)(O)CC2 2356797856 ONQQPLRBKKJMMK-NXRJPMIISA-N 315.251 3.425 50 1 DGGF Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 138402014 GJCNPFJGFTVBGF-UHFFFAOYSA-N 302.242 3.031 50 1 DGGF Cc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Cl 587009836 VLXJCYPCSQPZBL-UHFFFAOYSA-N 300.189 3.115 50 1 DGGF C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)C/C=C/CC)C[C@H]1O 166202315 RMJPNJYVWXJAHL-VYTKHYRPSA-N 313.235 3.204 50 1 DGGF COc1ccc2cccc(CCNC(=O)C(Cl)Cl)c2c1 653782615 WDACSSCUMVSXTR-UHFFFAOYSA-N 312.196 3.311 50 1 DGGF CC(=O)OC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497750 KSAHODTYKHYBIU-KRWDZBQOSA-N 322.788 3.071 50 1 DGGF C=CCc1cccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c12 586907193 USPZVMJXPQCPSR-UHFFFAOYSA-N 304.305 3.269 50 1 DGGF COc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1CCl 963343366 UTPDLSKAPLGNHK-KRWDZBQOSA-N 303.789 3.375 50 1 DGGF Cn1cc(C(=O)Cl)c(C(=O)c2coc3ccc(Cl)cc23)n1 587278158 HOEYJWJVHCWVBB-UHFFFAOYSA-N 323.135 3.430 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587188703 UVLZDTYZQNJMBC-WDZFZDKYSA-N 301.309 3.209 50 1 DGGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43N=C=O)[C@@H]1CCC2=O 253663200 FLWQFCHCLDKUEJ-NZKYLMMGSA-N 313.397 3.156 50 1 DGGF CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(Cl)c2)no1 473125021 XXOURMFDPSKQTR-RQZCQDPDSA-N 305.765 3.389 50 1 DGGF Cc1ccc2ccccc2c1-c1nc2ccc(C(=O)NN)cc2[nH]1 586884145 QECRPBVWBZDPMP-UHFFFAOYSA-N 316.364 3.295 50 1 DGGF COc1ccc(C(=O)N/N=C(C)/C=C(\O)c2ccccc2)cc1 101842820 NDSBHADIGKLRGP-YLRSGACBSA-N 310.353 3.400 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 587086943 JSTBMIRLSNGPQH-VIFPVBQESA-N 315.142 3.445 50 1 DGGF COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H](C4)[C@H]1Cl)[C@@H](C2)C3=O 587418087 ACODBXNNNXIHLU-AYFQHBITSA-N 304.773 3.219 50 1 DGGF COC(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2n1 587188128 OHMQGMPLGPOTQT-UKTHLTGXSA-N 318.336 3.117 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195296281 HBOOSNCGKATHOD-OIFJZQFYSA-N 322.401 3.341 50 1 DGGF CCCC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 195290404 WFEXSHFUYVONEV-LXFZOKHFSA-N 310.390 3.319 50 1 DGGF CC1(C)[C@H](Br)C[C@@H]2O[C@@]2(C)[C@]12C=C[C@](C)(O)CC2 2356797857 ONQQPLRBKKJMMK-WKZARQIDSA-N 315.251 3.425 50 1 DGGF Cc1nnc(NNC(=O)c2ccccc2)c2c1[nH]c1ccccc12 95593479 PNQCUGABRCCNDA-UHFFFAOYSA-N 317.352 3.176 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1Cc2ccccc21 84757364 NEABHBGNTVLLOJ-SNVBAGLBSA-N 308.168 3.171 50 1 DGGF O=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccccc1Cl 1659612 NQEHPFRGTXEVFX-CAOOACKPSA-N 317.732 3.224 50 1 DGGF C/C=C/C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195273961 HBOOSNCGKATHOD-LBTTURILSA-N 322.401 3.341 50 1 DGGF COC[C@]1(CCl)c2cccc(Br)c2CCN1C 963271538 VKPKGVSCADNMPU-CYBMUJFWSA-N 318.642 3.018 50 1 DGGF Cc1ccc([C@@]2([C@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963956089 UTQCNOUVNXITJT-GUYCJALGSA-N 303.837 3.087 50 1 DGGF C[C@@]1(c2ccc(O)c(CCl)c2)NCCc2ccc(O)cc21 963329536 OBPGSZQCYUAXCW-KRWDZBQOSA-N 303.789 3.246 50 1 DGGF CN(CCCl)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 29471289 XVSOQYCWROIRSC-UHFFFAOYSA-N 321.639 3.040 50 1 DGGF CCCC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 195290424 WFEXSHFUYVONEV-AMSSUQTNSA-N 310.390 3.319 50 1 DGGF Cc1cc2c(n1-c1ccnc(CCl)n1)CC(C)(C)CC2=O 587939871 KIYREUOUVHFCNM-UHFFFAOYSA-N 303.793 3.470 50 1 DGGF O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1F 1857576353 ALJVKHAGXDORSS-CNHKJKLMSA-N 310.687 3.088 50 1 DGGF CC1(C)CN(C(=O)CCl)c2cc([N+](=O)[O-])ccc2S1 27194751 KNHXWPPLNMTTSS-UHFFFAOYSA-N 300.767 3.051 50 1 DGGF C/C=C(\C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](O)C1)CCN2C 238741168 LGSDYQBPJKYJCT-UGRDNIFQSA-N 324.424 3.216 50 1 DGGF C=C1C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC=C(C)C=O 2356466435 GFRKOEGPMYJNGJ-FSNPWBFUSA-N 306.446 3.262 50 1 DGGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@H](O)C2 2356609552 FRWZPOWVSVGUBL-NEBZKDRISA-N 317.267 3.408 50 1 DGGF COc1ccc(Cl)cc1/C=C/C=NNC(=O)c1ccncc1 254046160 NNSHUPWAPSXPJX-BJSUELPTSA-N 315.760 3.173 50 3 DGGF C[C@@H]1COc2ccccc2N1C1=NC(=O)[C@@](C)(CCCl)S1 103184056 DQUBQYVVQFVTDH-MEBBXXQBSA-N 324.833 3.291 50 1 DGGF COc1cc2c3c(c1)O[C@](CCl)(CCCl)[C@@H](C2)C3=O 587421325 LEOTXIUSEIFTAG-HZMBPMFUSA-N 301.169 3.049 50 1 DGGF COC(CN(C(=O)CCl)C(=C(C)C)c1ccccc1)OC 103198694 NJEAHALQJAGMBZ-UHFFFAOYSA-N 311.809 3.124 50 1 DGGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCl)c1ncco1 963112484 SXPCXBSTTYTRFJ-CZUORRHYSA-N 306.768 3.317 50 1 DGGF CO[C@]12CC(C)=CCC[C@H](C)C(=O)[C@H](Cl)C1=C(C)C(=O)O2 2356321711 MGRCBCNJMNFAOW-WNMQOVRZSA-N 312.793 3.145 50 1 DGGF Cc1ccc(N[C@@H](C)C(=O)NN/C=C2\C=Nc3ccccc32)cc1 13119046 QASCZNPDXPMZLQ-YEQVNJDRSA-N 320.396 3.173 50 3 DGGF O=c1ccc2cc3ccoc3c(OCCBr)c2o1 238772890 FCPWDHMLHXCYEB-UHFFFAOYSA-N 309.115 3.313 50 1 DGGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=C[C@](C)(O)CC2 2356793435 HFOHBOJAMAWSIQ-JURCDPSOSA-N 315.251 3.184 50 1 DGGF COc1cc2c3c(c1)O[C@@](CCl)(CCCCl)[C@@H](C2)C3=O 587420754 IMCWZSASLYYTBL-XHDPSFHLSA-N 315.196 3.439 50 1 DGGF CCC=CC1=C2CCC3=C(C(=O)OC3=O)C(CCC)=C2OC1=O 2356721686 LZVAVELRNPTDSM-UHFFFAOYSA-N 314.337 3.034 50 1 DGGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371200 NLYNIRQVMRLPIQ-ALVKHSQZSA-N 312.406 3.231 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCC1)O2 587370452 BMZWQEMGRQGYKQ-HNNXBMFYSA-N 324.218 3.476 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1oc(C)nc1C)O2 587374264 VOVIRKSJLQBIKG-INIZCTEOSA-N 320.776 3.282 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101511489 ARNWNXWNQVPINP-IWSPIJDZSA-N 300.189 3.268 50 1 DGGF CCCC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 195290415 WFEXSHFUYVONEV-JTPDDLHWSA-N 310.390 3.319 50 1 DGGF O=C(N/N=C/C=C/c1ccccc1)c1ccc2c(c1)OCCCO2 1772607991 XKNNZWVXJRRWOS-XGKIATIMSA-N 322.364 3.277 50 1 DGGF O=c1c2ccc(F)cc2ncn1CCCCCBr 473124796 PGUATQAXBSYVBR-UHFFFAOYSA-N 313.170 3.101 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(O)cc1)O2 587370630 ARLRMEFHVXRLBA-KRWDZBQOSA-N 317.772 3.382 50 1 DGGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccccc1O 49111399 SIITUMMVDBMROI-NTUHNPAUSA-N 314.348 3.401 50 1 DGGF COc1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694588 JAYSTNFISLCRKF-BBRMVZONSA-N 305.341 3.067 50 1 DGGF O=C(CS[C@@H]1CCc2ccccc21)NN=Cc1ccco1 263591065 SVDDYYFSXGNVMR-OAHLLOKOSA-N 300.383 3.150 50 3 DGGF Cc1ccc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)s1 963122429 NDIPRMXDQBRVDV-INIZCTEOSA-N 321.829 3.383 50 1 DGGF CC(=N)/C(C#N)=C(\O)COC(=O)CCSc1ccccc1 103106937 RBKLFAODPHKORA-KPFPCMOCSA-N 304.371 3.087 50 1 DGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H](OC(C)=O)[C@H](C=CC=CC)O1 2356456307 YXOOXRMKKQERSU-LUKYLMHMSA-N 308.805 3.395 50 1 DGGF Fc1cccc2c1[C@](CCl)(c1ncco1)N1CCC[C@@H]1C2 963113407 ULDIQNRFAAIAEL-MLGOLLRUSA-N 306.768 3.317 50 1 DGGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](O)C1)CCN2C 2356419244 LGSDYQBPJKYJCT-CCKFTAQKSA-N 324.424 3.216 50 1 DGGF N#Cc1ccc(-c2csc(NNC(=O)c3ccco3)n2)cc1 39931494 CUOGOKOMADUWNX-UHFFFAOYSA-N 310.338 3.032 50 1 DGGF [C-]#[N+]C1=C(C)Nc2oncc2[C@H]1c1ccc2[nH]nc(OC)c2c1 473183031 KHURTWDLRTTXOR-CYBMUJFWSA-N 307.313 3.268 50 1 DGGF CC(C)[C@H](NC(=O)CCl)c1cc2c3c(cccc3n1)CC2 587208816 BDJWVXDZEJOXRB-KRWDZBQOSA-N 302.805 3.386 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1Cl)O2 587380148 BOEFBULFQRDFMF-UKPHBRMFSA-N 323.820 3.476 50 1 DGGF CCCC(CCC)C(=O)N(C)/N=N/c1ccc(C(N)=O)cc1 1857560901 YIHLTQJFWWXUMZ-VHEBQXMUSA-N 304.394 3.459 50 1 DGGF C=C1CC[C@@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@H]2[C@@H]1CC2(C)C 8214935 HIFLEGNWVFLGLY-FQUUOJAGSA-N 304.386 3.054 50 3 DGGF in-vitro O=C(NNc1c(Cl)cncc1Cl)[C@H]1Cc2ccccc21 84757362 NEABHBGNTVLLOJ-JTQLQIEISA-N 308.168 3.171 50 1 DGGF CCC(=O)N/N=C(\C)c1ccc(OC)c(OC2CCCC2)c1 13535315 UOBDMUVLAZLHEH-LDADJPATSA-N 304.390 3.267 50 1 DGGF C=CCOCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@@]12[C@@H](OC)O3 100833408 IUJFBNVQQBEODJ-JSRQGNBESA-N 312.406 3.195 50 1 DGGF COc1cc2c3c(c1)O[C@](C)(c1cccc(N=C=O)c1)[C@@H](C2)C3=O 587430141 RWUDZCWIUYLMJT-HNAYVOBHSA-N 321.332 3.325 50 1 DGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1OC 103191739 VDLHJIPAACRHAP-UHFFFAOYSA-N 311.809 3.160 50 1 DGGF C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccc(O)cc1 45261352 ZRQZVFNFMIRMTJ-YVLHZVERSA-N 303.387 3.126 50 1 DGGF O=C(O)c1cc2nc(CCCCBr)[nH]c2cc1F 586971889 AEZOICRWONHFNP-UHFFFAOYSA-N 315.142 3.118 50 1 DGGF CC(=O)N(N=C1C[C@H](c2ccccc2)Oc2ccccc21)C(C)=O 2356427259 UNGWSRDLOLQJGX-LJQANCHMSA-N 322.364 3.310 50 1 DGGF CCOP(=S)(OCC)Oc1ccc([S@](C)=O)cc1 3875793 XDNBJTQLKCIJBV-GOSISDBHSA-N 308.361 3.100 50 1 DGGF in-vitro CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@H]2C(=O)OCC[C@@]21C 621431373 VOQIAQCJXHGYCY-DVOMOZLQSA-N 312.482 3.309 50 1 DGGF C#CCOC(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1772656620 MEEPABRTZATPHY-UHFFFAOYSA-N 313.955 3.094 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169365971 HBOOSNCGKATHOD-MDGNULGDSA-N 322.401 3.341 50 1 DGGF O=C(NNc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12 27304115 ZQTZZZZHPGCZMJ-UHFFFAOYSA-N 313.744 3.147 50 1 DGGF C=CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103106834 QICWWHARTASFJK-QNHMRRABSA-N 322.401 3.341 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 587087850 WSVKBFZHKPCRGK-MRVPVSSYSA-N 317.118 3.050 50 1 DGGF COC(=O)C12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 49793157 WVCCXAVCOSGLPO-MASGUSJRSA-N 322.401 3.321 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccn1C)O2 587373440 QQAFUSSBSMWLRI-INIZCTEOSA-N 304.777 3.015 50 1 DGGF N#CC1=COc2ccccc2[C@@]12c1nc(Cl)cc3c1CCN2C3 963467607 GCDWSYYNAVIYIF-GOSISDBHSA-N 321.767 3.150 50 1 DGGF CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43379806 JLYUTVWRSSYYKV-BZSCCJIWSA-N 310.390 3.175 50 1 DGGF CCCC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 195290398 WFEXSHFUYVONEV-LMSAACSQSA-N 310.390 3.319 50 1 DGGF CCCc1c(O)ccc2c1O[C@@](CCl)(COCC)CC2=O 587461120 XDGBHHKMENZNQH-INIZCTEOSA-N 312.793 3.324 50 1 DGGF CC(C)c1nn(C)c2c1[C@@H]([C@H](Br)C(C)C)NCC2 962916690 DCUNYEBQLWMODG-OCCSQVGLSA-N 314.271 3.150 50 1 DGGF C#CC=CC[C@H](O)[C@@H]1CC=CC[C@@H](Br)[C@H](CC)O1 2356313070 RXIQGLNKHUBBCS-QPSCCSFWSA-N 313.235 3.204 50 1 DGGF NNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553606 XHHAZBARLPSMEU-UHFFFAOYSA-N 317.201 3.036 50 1 DGGF C=C1C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C(C)C=O 2356466436 GFRKOEGPMYJNGJ-MUDKKEKZSA-N 306.446 3.262 50 1 DGGF COC(=O)/C=C/[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C 195115638 DCJJESZUJZLSDK-GBYBRZQVSA-N 300.471 3.285 50 1 DGGF O=[N+]([O-])c1cc2nc(/C=C\CBr)[nH]c2cc1F 586973100 FKVZESIKBXISDN-UPHRSURJSA-N 300.087 3.018 50 1 DGGF O=C[C@@H]1C[C@](Br)(CCl)[C@H](Cl)C[C@@H]1Cl 2356807354 WHBVVSJJTRWPEO-HSNKUXOKSA-N 308.430 3.183 50 1 DGGF C/C=C1\C[N+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 102400508 ZEMNDQUOMWGCAZ-XDVNWESYSA-O 307.417 3.002 50 1 DGGF COc1cc2c3c(c1)O[C@@](CCl)(C(Cl)Cl)[C@@H](C2)C3=O 587418678 UYKYMIABICGMKJ-ISVAXAHUSA-N 321.587 3.224 50 1 DGGF Fc1cc2[nH]c(/C=C\CBr)nc2cc1-n1cccn1 586973871 PDZXCEUYFOYSMB-IWQZZHSRSA-N 321.153 3.296 50 1 DGGF O=CC[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409075 QKLKCMHZQJWHEN-CQSZACIVSA-N 313.309 3.263 50 1 DGGF Cc1ccc(O)c(/C=N\NC(=O)c2oc3cccc(O)c3c2C)c1 1911580876 NVWNIHLJBIJGAJ-OCKHKDLRSA-N 324.336 3.225 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 261074668 ARNWNXWNQVPINP-XHNCKOQMSA-N 300.189 3.268 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195277376 XGVPEEHFWWRAFG-PKDUHBIBSA-N 324.417 3.421 50 1 DGGF COc1cc2c3c(c1)O[C@](CCl)(CCCCl)[C@@H](C2)C3=O 587420750 IMCWZSASLYYTBL-NHYWBVRUSA-N 315.196 3.439 50 1 DGGF CC1(C)[C@H](Br)[C@@H](O)CC2=C[C@]3(C)CC[C@]21CC3=O 2356635120 SFFSPNSTMBIYDQ-FDEJFUCISA-N 313.235 3.226 50 1 DGGF Cc1ccc(NC(=O)CCSSCCN(C)C)cc1F 618007689 LJZGBGOMCYQAFI-UHFFFAOYSA-N 316.467 3.406 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 299810440 XGVPEEHFWWRAFG-UZMKEQKUSA-N 324.417 3.421 50 1 DGGF O=C[C@@H]1C[C@](Br)(CCl)[C@@H](Cl)C[C@H]1Cl 2356807357 WHBVVSJJTRWPEO-YWIQKCBGSA-N 308.430 3.183 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3cccc(C(N)=O)c3[nH]2)cc1 587189068 ZOVOHXUSUWZCJE-UKTHLTGXSA-N 302.337 3.034 50 1 DGGF CC(C)c1cccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)c1 13838725 UIUSEDFQGMZRLK-UHFFFAOYSA-N 322.412 3.415 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 100866899 HBOOSNCGKATHOD-PXZLJHACSA-N 322.401 3.341 50 1 DGGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@@H](O)C2 2356609551 FRWZPOWVSVGUBL-JURCDPSOSA-N 317.267 3.408 50 1 DGGF C=C1CC[C@H]([C@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@@H]1CC2(C)C 169299103 HIFLEGNWVFLGLY-AAVRWANBSA-N 304.386 3.054 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587188035 NQFARIHGWZIKNU-JYRVWZFOSA-N 303.321 3.398 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587188000 NJEJMWGRQLOJCX-UXBLZVDNSA-N 315.258 3.387 50 1 DGGF CCC[S@](=O)c1ccc(N(CCCl)CCCl)cc1 4637781 HHHKDWWSZTYMNR-GOSISDBHSA-N 308.274 3.488 50 1 DGGF CC=C(C=O)[C@@H]1C[C@@H]2c3c(c4ccccc4n3[C@H](O)C1)CCN2C 2356419246 LGSDYQBPJKYJCT-NIKGAXFTSA-N 324.424 3.216 50 1 DGGF CSSc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H]2CCl 26665039 XIWUVYQCEXVVHB-QMMMGPOBSA-N 323.892 3.159 50 1 DGGF CCC(C)(C)[C@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962932448 PJITYCYDUUJNHC-GOSISDBHSA-N 322.880 3.404 50 1 DGGF CN(C)CCNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40434234 CGMUMHBDAAEMHP-LFIBNONCSA-N 316.408 3.185 50 1 DGGF C=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]2CC=C(C=O)[C@@]3(O)C=O)C[C@@H]1C 2356713220 BYJVGYGCKLVETO-RRXXBAPQSA-N 302.414 3.080 50 1 DGGF N#Cc1cc2nc(CBr)[nH]c2cc1C(F)(F)F 586972611 XSIBFTSIGJLZLW-UHFFFAOYSA-N 304.069 3.348 50 1 DGGF CC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 1772581468 HFOHBOJAMAWSIQ-MYZSUADSSA-N 315.251 3.184 50 1 DGGF CC1=C(C=O)[C@@H]2C[C@H]3c4[nH]c5ccccc5c4C[C@@H]([C@H]2CO1)N3C 14719753 QSZUAXIGOGUBNW-FDARSICLSA-N 322.408 3.205 50 1 DGGF biogenic O=C(NCc1ccccc1)c1ccc(CCl)c([N+](=O)[O-])c1 2178320062 CXYYVNJGLSCJME-UHFFFAOYSA-N 304.733 3.264 50 1 DGGF N#CC(=C\c1ccc(O)c(O)c1)/C(C#N)=C/c1ccc(O)c(O)c1 224665276 WTHYGKXDNVWLPM-ACFHMISVSA-N 320.304 3.023 50 1 DGGF C[P@](=O)(OCCBr)Oc1ccc([N+](=O)[O-])cc1 95605855 FMFGALNRIBTRMV-KRWDZBQOSA-N 324.067 3.208 50 1 DGGF CO[C@]1(c2ncccc2C(F)F)C=C(C#N)C(=O)C2(CC2)C1 1857616245 GTNVTONZQZYADB-MRXNPFEDSA-N 304.296 3.064 50 1 DGGF CC(C)C[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 169360752 GUHUDXCGXKVGKM-ZFCIPKFXSA-N 310.390 3.175 50 1 DGGF CC(C)C1=C2CC=C(C=O)[C@@H]3C(=O)[C@@H](O)[C@@H](C)[C@H]3C[C@]2(C)CC1 38927597 IUXNFOSJQWRNNO-MOLCVPFZSA-N 316.441 3.470 50 1 DGGF BrC/C=C\c1nc2ccc(Br)nc2[nH]1 586972482 TYQOPMKZRJNPKU-UPHRSURJSA-N 316.984 3.129 50 1 DGGF CCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 96913463 KULACODIWJUZKK-GZTJUZNOSA-N 315.329 3.294 50 1 DGGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1 13864063 PMRSYWYJQVXLOI-YBFXNURJSA-N 306.321 3.015 50 1 DGGF C=C1C[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC=C(C)C=O 2356466434 GFRKOEGPMYJNGJ-DOEOUOAPSA-N 306.446 3.262 50 1 DGGF Fc1cc2[nH]c(/C=C/CBr)nc2cc1-n1cccn1 586973861 PDZXCEUYFOYSMB-HNQUOIGGSA-N 321.153 3.296 50 1 DGGF S=C=Nc1ccc(-c2nnc(Sc3ncccn3)o2)cc1 73159562 QHTSHLGYCJSCDA-UHFFFAOYSA-N 313.367 3.412 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccnc2ccccc12 49088448 XFXGACUSYCDBHL-GOSISDBHSA-N 319.364 3.166 50 1 DGGF BrC/C=C/c1nc2ccc(Br)nc2[nH]1 586972481 TYQOPMKZRJNPKU-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF NC(=O)c1c(F)ccc(OCCCCCBr)c1F 203671878 LJLYUJYJLLQKQS-UHFFFAOYSA-N 322.149 3.008 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587188565 SZYATPSLRPJRGX-WDBUWWRISA-N 303.325 3.351 50 1 DGGF CCOC(=O)[C@@H](Cl)[C@]1(CC)NCCc2ccc(F)c(C)c21 962304232 ZJESQPYLTNMQRQ-GDBMZVCRSA-N 313.800 3.056 50 1 DGGF O=C(NN=C(c1ccccn1)c1ccccn1)Nc1ccccc1 49053471 LXLITGBHOCWITL-UHFFFAOYSA-N 317.352 3.051 50 1 DGGF CC(C)C[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 43307854 GUHUDXCGXKVGKM-MYMDNWMNSA-N 310.390 3.175 50 1 DGGF C[C@@H](CCl)n1c(=O)c2ccccc2n1C(=O)c1ccccc1 95568960 MZFMSKZYCHLODW-LBPRGKRZSA-N 314.772 3.291 50 3 DGGF COc1ccc(/C=N\NC(=O)c2ccc3ncccc3c2)cc1 1857594862 XBYDTGRODAVYNP-NDENLUEZSA-N 305.337 3.007 50 1 DGGF Nc1ccc(Oc2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1 587012792 ZNYOVWDOMZWBIL-GFCCVEGCSA-N 302.765 3.176 50 1 DGGF C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(-n2cccc2)cc1 103224079 BJWRXTPSKFPZJC-XSFVSMFZSA-N 319.364 3.337 50 1 DGGF C[C@H]1COc2ccccc2N1C1=NC(=O)[C@](C)(CCCl)S1 103184065 DQUBQYVVQFVTDH-BONVTDFDSA-N 324.833 3.291 50 1 DGGF C[C@@H]1CC[C@@H](C(=O)N(Nc2ccccc2)c2ccccc2)C(=O)O1 504374329 HBXSLAVGMQGYJX-PBHICJAKSA-N 324.380 3.388 50 1 DGGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1Br)O2 587371917 IAKKWVBFANHDJW-OCCSQVGLSA-N 310.191 3.229 50 1 DGGF CCCCC[C@]1(OC)CC[C@H](CC(=O)N(CC)CC)OO1 43379842 RJLIDZXMIAVCEW-GDBMZVCRSA-N 301.427 3.279 50 1 DGGF O=C(O)C12CC3C[C@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 102065132 MPKAXEWWXQTNLD-XNGQOLHRSA-N 308.374 3.232 50 1 DGGF CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(O)ccc2O)cc1 28565086 UAFVKAMQCFKYJV-YBFXNURJSA-N 312.369 3.159 50 1 DGGF O=C1CN(CCCCCCCl)c2ccc([N+](=O)[O-])cc2N1 28344766 WHHLNBLJXXDIBH-UHFFFAOYSA-N 311.769 3.153 50 1 DGGF CCOC(=O)Cc1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008180 LMQFQFXANSSIFR-VIFPVBQESA-N 301.173 3.187 50 1 DGGF N#CC(=Cc1ccc(O)c(O)c1)C(=S)NCc1ccccc1 1857622920 LUTZHABJDHBKMM-UHFFFAOYSA-N 310.378 3.122 50 1 DGGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)CC=CC[C@@H]1O 34492917 OHHPIXHKUDAQAW-DUOOICOHSA-N 313.235 3.204 50 1 DGGF CC(C)[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195244296 IZFOABIMPBXGKM-FFJWMIAESA-N 310.390 3.031 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587009143 XEJZDWGWJFVIPE-UHFFFAOYSA-N 320.607 3.460 50 1 DGGF COC(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188868 WPFAOPWRJVZRLD-NTEUORMPSA-N 303.321 3.414 50 1 DGGF Fc1cccc2c1[C@](CCl)(c1ncco1)N1CCC[C@H]1C2 963113392 ULDIQNRFAAIAEL-BLLLJJGKSA-N 306.768 3.317 50 1 DGGF O=C(O)C[C@H]1CCCC[C@@]12OOC1(O2)C2CC3CC(C2)CC1C3 49784153 LJHVGTRVVXTLOZ-CNGGPPJOSA-N 322.401 3.478 50 1 DGGF ClC1=CC[C@@H](Br)C=C1OC[C@H]1CCCNC1 29040424 YIJRFRHDRVWTHI-VHSXEESVSA-N 306.631 3.176 50 1 DGGF COC(=O)c1ccc(OCC2=CC=C(CO)SS2)cc1 6482665 KHGNRPAHFBLKIW-UHFFFAOYSA-N 310.396 3.007 50 1 DGGF CC1(C)C=C(/C=N/Nc2ccccc2)C(C#N)=C(O)C1(C#N)C#N 31861948 SZHPGODRPDNLNR-LSHDLFTRSA-N 317.352 3.420 50 1 DGGF FC1(F)Oc2cc3nc(/C=C\CBr)[nH]c3cc2O1 586974580 XZWSOWVNAKGAFV-UPHRSURJSA-N 317.089 3.293 50 1 DGGF CN(C)C[C@@H](Br)c1cccc(Br)c1 169345626 JYGMGIGGNQPXFS-SNVBAGLBSA-N 307.029 3.447 50 1 DGGF CC1(C)[C@@H](Br)[C@@H](O)CC2=C[C@]3(C)CC[C@@]21CC3=O 238769226 SFFSPNSTMBIYDQ-HQRZJTNHSA-N 313.235 3.226 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2cncc(Cl)c2[nH]1 586971746 XMJKLDOGQRXKRU-VIFPVBQESA-N 318.602 3.472 50 1 DGGF O=C(NNCCC1CCCC1)c1ccc(Br)cc1 261191778 ZLEUBTRYAAACNU-UHFFFAOYSA-N 311.223 3.264 50 1 DGGF CCN(CC)C(=S)SS(=O)(=O)c1ccc(Cl)cc1 1860823 BAVMTXFKKCMJJS-UHFFFAOYSA-N 323.892 3.389 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CC1)O2 587370437 BGMMSQNZZZTSFK-CQSZACIVSA-N 310.191 3.086 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)CC1(CC(CBr)C1)O2 587377986 RALQRFUJZJRRKG-UHFFFAOYSA-N 310.191 3.086 50 1 DGGF CCCCC(CCCC)NNC(=O)c1ccc2c(c1)OCO2 40938669 ASPUIYWUHHCBEI-UHFFFAOYSA-N 306.406 3.399 50 1 DGGF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@H]2[C@@H](Cl)CCN3C 2356563153 RRGNVROICAKYCS-BHADISHBSA-N 304.821 3.064 50 1 DGGF CCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@H]1C 36289048 UEZDCSUAQJCNJF-NXSRCCIVSA-N 323.481 3.092 50 1 DGGF C=C1CC[C@@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@H]2[C@H]1CC2(C)C 8214934 HIFLEGNWVFLGLY-XUXIUFHCSA-N 304.386 3.054 50 3 DGGF in-vitro CC[C@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587373120 LKWVILMVLPVVAA-LKFCYVNXSA-N 312.207 3.475 50 1 DGGF Cc1ccc(C2=C(C#N)[C@H](N)OC3=C2COc2ccccc23)cc1 31905180 ZIIDTTNNPHUGIN-HXUWFJFHSA-N 316.360 3.391 50 1 DGGF O=c1c2ccc(Cl)cc2ncn1CCCCBr 473111560 ACFBIQJWWGXIOJ-UHFFFAOYSA-N 315.598 3.225 50 1 DGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCCCC[C@H]2Cl)N1 962905123 YGPSEQDLJYLFTJ-SQWLQELKSA-N 311.784 3.191 50 1 DGGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1C#N 473157251 UQYQJMIAEHYPKP-INIZCTEOSA-N 319.364 3.009 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)ncc2[nH]1 586971524 TYMPYAIYGVWYRD-SECBINFHSA-N 318.602 3.472 50 1 DGGF CC(C)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 5912312 DFLVWXSODDWYLG-CXUHLZMHSA-N 301.302 3.075 50 1 DGGF O=C(N/N=C1\CCC\C1=C(/O)C(F)(F)F)c1cccc(O)c1 102679272 ATBJFBAPVUAERI-SIBNOYASSA-N 314.263 3.036 50 1 DGGF CCCCC[C@]1(OC)CC[C@@H](CC(=O)N(CC)CC)OO1 43379845 RJLIDZXMIAVCEW-GOEBONIOSA-N 301.427 3.279 50 1 DGGF C[C@@H]1C(=O)O[C@]2(C)O[C@@]3(C)CC[C@]4(C)[C@H](C)CC[C@H]1[C@@]24OO3 2356713270 CZGGCUQXLAWLPG-NNHZXBFZSA-N 310.390 3.175 50 1 DGGF CC1(C)C[C@H]([C@@]2(O)C=CC(=O)CC2)CC[C@@H]1Br 14585354 JZGTULZWFXGHMA-SCDSUCTJSA-N 301.224 3.226 50 1 DGGF biogenic COc1ccc(SSC(=S)N2CCOCC2)cc1 1857745176 QPFRPAUBLMRTBG-UHFFFAOYSA-N 301.458 3.053 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587188564 SZYATPSLRPJRGX-RQPMMQJISA-N 303.325 3.351 50 1 DGGF c1ccc(P(c2ccccc2)c2cnc3ccccn23)cc1 38142193 NBWRKGNTIPMLEC-UHFFFAOYSA-N 302.317 3.093 50 1 DGGF C=C1C[C@@H](OC(C)=O)/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1OO 85799578 YOWABXYMBGIQEY-ISFSCYEMSA-N 312.406 3.096 50 1 DGGF Cc1ccc(/C=C(/C#N)c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587188240 PURDRANMPNBCKR-SDQBBNPISA-N 305.297 3.239 50 1 DGGF COc1cc(OC)c2[nH]c(CCCCBr)nc2c1 586971892 AIENATAKZYGNMJ-UHFFFAOYSA-N 313.195 3.298 50 1 DGGF Cc1ccccc1N[C@@H](C)C(=O)NN/C=C1\C=Nc2ccccc21 13119043 OKEDNIXRDLOWQL-YEQVNJDRSA-N 320.396 3.173 50 3 DGGF C/C(=N\NC(=O)c1ccncc1)c1ccc(-n2cccc2)cc1 103224057 CWTROKYKOQSBHW-XSFVSMFZSA-N 304.353 3.026 50 1 DGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCCCC[C@H]2Cl)N1 962905116 YGPSEQDLJYLFTJ-LZWOXQAQSA-N 311.784 3.191 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCCl)nc1C)O2 587376741 TTYMZTMYXBZNLO-HNNXBMFYSA-N 319.792 3.027 50 1 DGGF C[C@@H](NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 1856521 HOLGGBLXWXDABY-SNVBAGLBSA-N 309.291 3.096 50 1 DGGF COc1ccc(C(=O)Nc2nc(CN=C=S)cs2)cc1 27215302 PPSKKDORHXWDFF-UHFFFAOYSA-N 305.384 3.007 50 1 DGGF COC(=O)c1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cn1 587188837 XRJNGOYSULFIMI-QPEQYQDCSA-N 318.336 3.117 50 1 DGGF O=C(N/N=C1/CCC/C1=C(/O)C(F)(F)F)c1ccccc1O 102984515 VWYFHTRAXLFSAN-DBYWGYFBSA-N 314.263 3.036 50 1 DGGF Cc1c(Br)cnc2[nH]c([C@H](C)Br)nc12 587009187 WDSXPNRYJAXLJY-YFKPBYRVSA-N 319.000 3.485 50 1 DGGF CS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587187047 CMRYAIIWPLXEKJ-UKTHLTGXSA-N 323.377 3.031 50 1 DGGF COC(=O)/C=C/[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C 195149020 DCJJESZUJZLSDK-WGVUZWOWSA-N 300.471 3.285 50 1 DGGF BrC/C=C/c1nc2cc(Br)cnc2[nH]1 586972108 GPDNWLKLGPECDJ-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF COC(=O)c1cccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587187444 HBKFXGCIPVDWQP-RAXLEYEMSA-N 303.321 3.414 50 1 DGGF N#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 100372705 OQUXVPJVBSENGK-QXMHVHEDSA-N 309.247 3.283 50 1 DGGF in-man CCCCC[C@@]1(OC)CC[C@@H](CC(=O)N(CC)CC)OO1 43379847 RJLIDZXMIAVCEW-HOCLYGCPSA-N 301.427 3.279 50 1 DGGF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)C1 587968387 BNXGSCBLCVZMRD-ZYHUDNBSSA-N 300.406 3.096 50 1 DGGF COC(=O)[C@@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103191650 MXFMOOKMQFHBGA-GFCCVEGCSA-N 309.793 3.066 50 1 DGGF CC(C)[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 101267388 IZFOABIMPBXGKM-IRSXHMEOSA-N 310.390 3.031 50 1 DGGF C=C1CC[C@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@H]1CC2(C)C 15449184 HIFLEGNWVFLGLY-ZOBORPQBSA-N 304.386 3.054 50 3 DGGF biogenic,in-vitro COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Br)[C@@H](C2)C3=O 587417023 IKHAZSLQLJLKDF-WBIUFABUSA-N 323.186 3.129 50 1 DGGF CCOC(=O)[C@@H](Cl)[C@@]1(CC)NCCc2ccc(F)c(C)c21 962304257 ZJESQPYLTNMQRQ-ZBFHGGJFSA-N 313.800 3.056 50 1 DGGF C=C1CC[C@@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C(\C)C=O 169336349 XMGQNBFCAUFSGC-RXHMHPOJSA-N 306.446 3.264 50 1 DGGF Fc1cnc(Cl)c2[nH]c(CCCCBr)nc12 586972233 KJUQPERZVUKGKP-UHFFFAOYSA-N 306.566 3.468 50 1 DGGF C/C=C/C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169365972 HBOOSNCGKATHOD-OQNADEBPSA-N 322.401 3.341 50 1 DGGF O=C(O)C12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 49793761 MPKAXEWWXQTNLD-CVMNYIHVSA-N 308.374 3.232 50 1 DGGF CN1C(=O)C[C@@H]2CN[C@@]3(CCCC[C@H]3Cl)c3cccc1c32 963034099 QJMUCGMHXKJURF-ZLENFMNRSA-N 304.821 3.117 50 1 DGGF C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544207 NCNVUDCDMOGIIQ-CZUORRHYSA-N 304.729 3.351 50 1 DGGF CN1Cc2c(NC(=O)CCl)cccc2[C@H](c2ccccc2)C1 28218794 HFWWQPIOOARJEJ-HNNXBMFYSA-N 314.816 3.441 50 1 DGGF CCOC(=O)CCc1ccc(N(CCCl)CCCl)cc1 169315122 HHUOBTYCWFBNAJ-UHFFFAOYSA-N 318.244 3.466 50 1 DGGF C=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]2CC=C(C=O)[C@]3(O)C=O)C[C@@H]1C 2356713222 BYJVGYGCKLVETO-YFMJYDCTSA-N 302.414 3.080 50 1 DGGF COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H](C4)[C@H]1Cl)[C@@H](C2)C3=O 587418088 ACODBXNNNXIHLU-OFEYYHIJSA-N 304.773 3.219 50 1 DGGF O=C(NNc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 13781206 TZOPUQKNXNCXRM-UHFFFAOYSA-N 313.744 3.147 50 1 DGGF C=C(C=O)[C@H]1Cc2cc([C@H](C)OC(=O)C(C)=CC)ccc2O1 2356375814 HUQITUMVDCBAQQ-SUMWQHHRSA-N 300.354 3.316 50 1 DGGF CC(C)[C@]1(C(=O)O)CC[C@](C)(N=C=S)[C@@H]2CC[C@](C)(O)C=C21 2356786046 YRDIFUBGWKWYME-ISWURRPUSA-N 323.458 3.456 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43328187 HBOOSNCGKATHOD-ONKDIUOYSA-N 322.401 3.341 50 1 DGGF COC(=O)C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497206 HOYNXIIOPGQRHU-QGZVFWFLSA-N 322.788 3.071 50 1 DGGF CC(C)C[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 169360750 GUHUDXCGXKVGKM-BSWAFRJZSA-N 310.390 3.175 50 1 DGGF C[C@H](c1ccc(CBr)cc1)c1nc2cncnc2[nH]1 586974799 ZYJPJVMUCARYEE-SECBINFHSA-N 317.190 3.400 50 1 DGGF CO[C@]1(c2ncc(F)cc2C(F)F)C=C(C#N)C(=O)C2(CC2)C1 1857562489 PWIUJSZGHZNZSH-MRXNPFEDSA-N 322.286 3.203 50 1 DGGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43N=C=O)[C@@H]1CCC2=O 58525210 FLWQFCHCLDKUEJ-BGJMDTOESA-N 313.397 3.156 50 1 DGGF CN(C)C[C@@H](Br)c1ccc(Br)cc1 38819595 VTKFWVGXDMYJEA-SNVBAGLBSA-N 307.029 3.447 50 1 DGGF CO[C@H]1O[C@]2(c3ccc(CO)cc3)CC[C@H]3CCCC[C@@]13OO2 100999884 QMZOQOSGPNSVQT-LAVFITLUSA-N 320.385 3.005 50 1 DGGF C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)[C@@H](O)C[C@@H]12 238771622 NHEOPEUDQXKFRV-ZCPFRKCISA-N 318.457 3.098 50 1 DGGF O=C(NCCCl)Nc1ncccc1OCc1ccc(F)cc1 207018437 SKHGILDSDADKHA-UHFFFAOYSA-N 323.755 3.160 50 1 DGGF C=C1CC[C@]2(C[C@@H]1O)C(=C)C[C@@H](O)[C@H](Br)C2(C)C 2356792357 JPQFLLUKZUXZQJ-OSFYFWSMSA-N 315.251 3.184 50 1 DGGF Cc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)c1 40587740 SAOXZSSGGLUNRI-KRWDZBQOSA-N 314.348 3.156 50 1 DGGF CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN/C=C2/C=CC=N2)cc1 15962046 BUFPQBJAVBDKFB-FBCVODPVSA-N 309.413 3.190 50 3 DGGF CC(C)C[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 102213854 GUHUDXCGXKVGKM-KDYIVRDHSA-N 310.390 3.175 50 1 DGGF CC(/C=N\NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1 33285623 POAAROIRKSJBID-YCQTUCNWSA-N 318.380 3.242 50 1 DGGF C=C(C(=O)O)[C@@H]1C[C@H](CC(=O)O)[C@@]2(C)CCCC(=C)[C@]2(OO)C1 238765841 FQPKLWGXZMIQJG-BQGCOEIASA-N 324.373 3.103 50 1 DGGF C/C=C\C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 194889083 HBOOSNCGKATHOD-YHKUCGJXSA-N 322.401 3.341 50 1 DGGF CCCCC(CCCC)NNC(=O)c1cccnc1OCC 40939889 LYQHUJXIJVKMSH-UHFFFAOYSA-N 307.438 3.464 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2c(C)nc(C)cc2[nH]1 586971762 YKBSOLPAUAQRHT-LLVKDONJSA-N 312.211 3.436 50 1 DGGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCl)c1ncco1 963112486 SXPCXBSTTYTRFJ-XJKSGUPXSA-N 306.768 3.317 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169366146 XGVPEEHFWWRAFG-OBYWRLHTSA-N 324.417 3.421 50 1 DGGF CC1(C)C(=O)C(C#N)=C[C@@]2(C)C3=CC(=O)C(C#N)=C[C@@]3(C)CC[C@H]12 71296529 BQDNSKXHOWSOHH-CDHQVMDDSA-N 320.392 3.427 50 1 DGGF O=C(OC1CSSC1)c1ccccc1Br 96911558 WLKPOPKZEXAXPN-UHFFFAOYSA-N 305.218 3.370 50 1 DGGF O=C(O)C1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 72117163 ZHMJENXLKLCUDS-UHFFFAOYSA-N 322.401 3.131 50 1 DGGF Cc1oc2ccccc2c1C(=O)NCCCSSCCN 618007587 GWECBKJHENZRCR-UHFFFAOYSA-N 324.471 3.201 50 1 DGGF Fc1cccc([C@@]2(CCl)NCCc3nc4ccccn4c32)c1 962984302 MTCZCNWTKDSYHJ-QGZVFWFLSA-N 315.779 3.102 50 1 DGGF C=C1CC[C@]2(C[C@@H]1O)C(=C)C[C@H](O)[C@@H](Br)C2(C)C 1772597966 JPQFLLUKZUXZQJ-XPCVCDNBSA-N 315.251 3.184 50 1 DGGF Cc1occc1C(=O)N/N=C\c1c(O)cc(Cl)cc1Cl 299863458 OZTIPBHHXISPMF-SOFYXZRVSA-N 313.140 3.364 50 1 DGGF C[C@H](c1ccc(CBr)cc1)c1nc2cnncc2[nH]1 586973139 FXXUFWOEIMHTAT-SECBINFHSA-N 317.190 3.400 50 1 DGGF COc1ccc(CC(C#N)=C(C#N)Cc2cc(O)ccc2O)cc1 2356415576 OXNVZLNMOUKEME-UHFFFAOYSA-N 320.348 3.235 50 1 DGGF O=C1CCc2cc3nc(CCCCBr)[nH]c3cc2N1 586972256 KXTCLRIFTSGGAR-UHFFFAOYSA-N 322.206 3.165 50 1 DGGF Cc1ccc([C@@]2(CCl)NCCc3c2c(C(C)C)nn3C)cc1 962924157 VRSIYFLGVRXWDJ-GOSISDBHSA-N 317.864 3.480 50 1 DGGF CC(C)[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 141095695 IZFOABIMPBXGKM-ZVQWZBMFSA-N 310.390 3.031 50 1 DGGF CCCC[C@@H](OC)c1cccc(NC(=O)NC(=O)CCl)c1 53299093 RJYCQLFIBTZJDX-CYBMUJFWSA-N 312.797 3.451 50 1 DGGF COc1ccc(Cl)cc1C#C/C(C=O)=C\Nc1nccs1 587921047 SUKRSBLYETWTMR-PKNBQFBNSA-N 318.785 3.352 50 1 DGGF FC(F)(F)c1cnc2[nH]c(/C=C\CBr)nc2c1 586973367 IQQIXVSHPJWRHY-UPHRSURJSA-N 306.085 3.385 50 1 DGGF O=C(N/N=C\c1ccco1)c1cc2c(cn1)[nH]c1ccccc12 103190853 JADIRHADNSGQED-OCKHKDLRSA-N 304.309 3.073 50 1 DGGF COc1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586971156 NHVYKHXISBGAPS-NSHDSACASA-N 313.195 3.433 50 1 DGGF CCO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 43910600 NLYNIRQVMRLPIQ-AYZZQQBVSA-N 312.406 3.231 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2ccc(CO)cc2[nH]1 587087404 PTVKFMYCULLCQR-SNVBAGLBSA-N 301.159 3.239 50 1 DGGF COC(=O)c1c(/C(C#N)=C\N)c2ccc(Cl)c(Cl)c2n1C 1772643376 RDIHPXYAMGYXKA-ALCCZGGFSA-N 324.167 3.095 50 1 DGGF Cc1ccc(N[C@H](C)C(=O)NN/C=C2\C=Nc3ccccc32)cc1 13119045 QASCZNPDXPMZLQ-FQZGENGWSA-N 320.396 3.173 50 3 DGGF COc1ccc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])c1 1642347 QFMOIODNZAFKIE-UHFFFAOYSA-N 322.212 3.028 50 1 DGGF Nc1ccc2c(c1)c(=O)oc1ccc(CBr)cc12 28348913 MKQKVXAVWTZOKY-UHFFFAOYSA-N 304.143 3.423 50 1 DGGF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Br)[C@@H](C2)C3=O 587417021 IKHAZSLQLJLKDF-JVLSTEMRSA-N 323.186 3.129 50 1 DGGF N#CC1=COc2ccccc2[C@]12c1nc(Cl)cc3c1CCN2C3 963467610 GCDWSYYNAVIYIF-SFHVURJKSA-N 321.767 3.150 50 1 DGGF FC(F)(F)c1cc2nc(/C=C\CBr)[nH]c2cn1 586972805 CBOZGEYBOBDRIP-UPHRSURJSA-N 306.085 3.385 50 1 DGGF CO[C@@]1(c2ncc(F)cc2C(F)F)C=C(C#N)C(=O)C2(CC2)C1 1857562488 PWIUJSZGHZNZSH-INIZCTEOSA-N 322.286 3.203 50 1 DGGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 70450994 NLYNIRQVMRLPIQ-HDYBAZQVSA-N 312.406 3.231 50 1 DGGF biogenic,in-vitro N[C@H](CCl)c1nc2cc(Cl)cc(Br)c2[nH]1 587009675 PCNGODVURLEKEQ-ZCFIWIBFSA-N 308.994 3.217 50 1 DGGF C[C@]1(c2ccc(O)c(CCl)c2)NCCc2ccc(O)cc21 963329537 OBPGSZQCYUAXCW-QGZVFWFLSA-N 303.789 3.246 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43328188 HBOOSNCGKATHOD-ZRFOMRPOSA-N 322.401 3.341 50 1 DGGF CCOC(=O)Cc1ccc2nc(/C=C\CBr)[nH]c2c1 586974774 ZMGYGMQFIYOIDL-ARJAWSKDSA-N 323.190 3.077 50 1 DGGF COCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl 103272735 NIXYDVSEFJFVPK-STWLFGJUSA-N 316.228 3.499 50 1 DGGF CO[C@]12CC(C)=CCC[C@@H](C)C(=O)[C@H](Cl)C1=C(C)C(=O)O2 2356321712 MGRCBCNJMNFAOW-ZXIHIIQKSA-N 312.793 3.145 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1oc(C)nc1C)O2 587374273 VOVIRKSJLQBIKG-MRXNPFEDSA-N 320.776 3.282 50 1 DGGF O=C(Oc1cccnc1)c1cc2cc(CCl)ccc2oc1=O 12947741 VUCZSKPOHXLFKP-UHFFFAOYSA-N 315.712 3.146 50 1 DGGF N#CC1=C2CCCC[C@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N 169688619 UCPQVOMIAHZITA-GDBMZVCRSA-N 301.353 3.243 50 1 DGGF Cc1ccc([C@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1 35030236 LGANXEGVOPMVNA-INIZCTEOSA-N 307.397 3.019 50 1 DGGF COc1ccccc1/C=N\NC(=O)c1oc2cccc(O)c2c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c1c(Br)cc2nc([C@H](N)CCl)[nH]c2c1C 587009901 XATIHRIDLMZYCF-MRVPVSSYSA-N 302.603 3.181 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 100866894 HBOOSNCGKATHOD-LUDFMXPZSA-N 322.401 3.341 50 1 DGGF O=C(N/N=C/c1cccc(O)c1)c1cc2cc(Cl)ccc2[nH]1 1911577719 YXCQPWDFQDGSRK-GIJQJNRQSA-N 313.744 3.291 50 1 DGGF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Cl 40412176 HMDAMCMNIKFROK-TXMMPKFLSA-N 303.761 3.309 50 1 DGGF Cn1c2c(c3ccc(/C=C/C#N)cc3c1=O)C(=O)c1ccccc1-2 95585756 QRSNXLAOCCVREX-SNAWJCMRSA-N 312.328 3.287 50 1 DGGF O=C1CCc2c(nc3cccc4c3c2CC4)[C@@H]1Br 587208731 ABDKAWZVGKCTPU-CQSZACIVSA-N 302.171 3.285 50 1 DGGF CCCCCCSC(=S)N(C)NC(=O)c1ccccn1 169336965 CGMNCMFIVSKPIJ-UHFFFAOYSA-N 311.476 3.257 50 1 DGGF NNC(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587969048 YCJBNSSRLRNLMH-UHFFFAOYSA-N 322.412 3.006 50 1 DGGF CCOC(=O)Cc1ccc2nc(/C=C/CBr)[nH]c2c1 586974775 ZMGYGMQFIYOIDL-ONEGZZNKSA-N 323.190 3.077 50 1 DGGF Cc1nnc(NNC(=O)c2ccccc2)cc1Cc1ccccc1 26189970 CGSFXVJSGHBFJQ-UHFFFAOYSA-N 318.380 3.133 50 1 DGGF COC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccccc1 95809078 URUYAUKOKDPNBM-NSMFRCMUSA-N 316.401 3.315 50 1 DGGF N#CC(=C\c1ccc(O)c(O)c1)/C(C#N)=C\c1ccc(O)c(O)c1 238778562 WTHYGKXDNVWLPM-FUJGBLOQSA-N 320.304 3.023 50 1 DGGF O=C(CCl)[C@H](Cc1ccccc1)NOCc1ccccc1 45498701 PFNPCUKAAGSVQK-INIZCTEOSA-N 303.789 3.127 50 1 DGGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169371201 NLYNIRQVMRLPIQ-FHBRBXDWSA-N 312.406 3.231 50 1 DGGF CC=C(C)C(=O)OC[C@@]1(C)[C@H]2CC=C(C=O)[C@@]3(C2)C(=O)CC[C@H]31 2356564316 YUKYBBOQNUTDCI-KNEBKQPDSA-N 316.397 3.017 50 1 DGGF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(CCl)ccc1O 963128945 BVQVQURKJPMQSN-INIZCTEOSA-N 317.772 3.064 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 587087279 NSNWRABEMVSNBP-JTQLQIEISA-N 315.142 3.476 50 1 DGGF CCOC(=O)Cc1ccc2nc([C@H](C)Br)[nH]c2c1 587009015 RJJXOQWGZNSKFL-QMMMGPOBSA-N 311.179 3.124 50 1 DGGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC=C(C)C=O 2356333913 XMGQNBFCAUFSGC-LFDJNIOPSA-N 306.446 3.264 50 1 DGGF N#CC1=C(N)Oc2cc(O)ccc2[C@H]1n1ccc2ccccc21 40540459 JEWPPDFEYRRYIU-QGZVFWFLSA-N 303.321 3.023 50 1 DGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H](OC(C)=O)[C@@H](C=CC=CC)O1 2356456309 YXOOXRMKKQERSU-VVLHAWIVSA-N 308.805 3.395 50 1 DGGF N#CC(C#N)=c1c2cccc3cccc(c32)n1CCBr 49116160 VLUJJUQLMMWOAY-UHFFFAOYSA-N 324.181 3.106 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(CCCl)c1C)O2 587376082 PUXFKNZAMWWCLJ-OAHLLOKOSA-N 319.792 3.027 50 1 DGGF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Br)[C@@H](C2)C3=O 587417020 IKHAZSLQLJLKDF-ITDIGPHOSA-N 323.186 3.129 50 1 DGGF C=CCO/C(O)=C1\C(C)=NC(S)=C(C#N)[C@H]1c1cccnc1 103998362 CZWJHEBTDJJKGA-LBFFYKKLSA-N 313.382 3.277 50 1 DGGF CN1C(=O)C[C@@H]2CN[C@@]3(CCCC[C@@H]3Cl)c3cccc1c32 963034095 QJMUCGMHXKJURF-WHCBVINPSA-N 304.821 3.117 50 1 DGGF CC=C(C=O)[C@H]1C[C@H](O)n2c3c(c4ccccc42)CCN(C)[C@@H]3C1 2356419247 LGSDYQBPJKYJCT-ZMYBRWDISA-N 324.424 3.216 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2c(Cl)ncnc2[nH]1 587086513 BWILJVIECGBOAG-RXMQYKEDSA-N 307.554 3.190 50 1 DGGF O=C1C[C@@](CCl)(c2cnon2)Oc2c1ccc1c2CCCC1 587499055 RJLZTIFBEJQIRM-MRXNPFEDSA-N 318.760 3.048 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 587087280 NSNWRABEMVSNBP-SNVBAGLBSA-N 315.142 3.476 50 1 DGGF C[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1 38145325 JMLAZZUEKJNGGR-HKOCCSETSA-N 311.410 3.265 50 1 DGGF CC(C)(C)[C@H](Cl)C(=O)Nc1nnc(C(F)(F)F)s1 103278957 DTDYSOZQZQLMRH-SCSAIBSYSA-N 301.721 3.149 50 1 DGGF C=C[C@](O)(CBr)CC[C@@H](Br)C(=C)C 1638709 MAIAZZXAWULVPY-NXEZZACHSA-N 312.045 3.418 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587009753 QRVZVBWQJZEYMT-UHFFFAOYSA-N 322.142 3.085 50 1 DGGF CC=C(C)C(=O)OC[C@]1(C)[C@H]2CC=C(C=O)[C@@]3(C2)C(=O)CC[C@H]31 2356564315 YUKYBBOQNUTDCI-JECZMYCTSA-N 316.397 3.017 50 1 DGGF C[C@@H]1C(=O)O[C@]2(C)O[C@@]3(C)CC[C@]4(C)[C@@H](C)CC[C@H]1[C@@]24OO3 2356713272 CZGGCUQXLAWLPG-XJDNXFKUSA-N 310.390 3.175 50 1 DGGF O[C@H]1c2ccccc2[C@H](Cc2cncs2)[C@@H]1Br 36387642 YLVYTPZAHLDGCF-AVGNSLFASA-N 310.216 3.280 50 3 DGGF Cc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 40781793 UVELIUMDBOIQBH-QGZVFWFLSA-N 316.364 3.100 50 1 DGGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 13379263 RLCBOPJHZRVMGC-MYZSUADSSA-N 315.251 3.184 50 1 DGGF CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103200319 JLYUTVWRSSYYKV-YHHXLTPFSA-N 310.390 3.175 50 1 DGGF O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 138402136 NSPDRFZNPCWXJK-UHFFFAOYSA-N 322.660 3.376 50 1 DGGF CO[C@]1(c2ncc(F)cc2C(F)F)C=C(C#N)C(=O)C(C)(C)C1 1857544079 BWBVUTUOBHKJGA-MRXNPFEDSA-N 324.302 3.449 50 1 DGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587189078 ZQEDGPNLAIOEMT-ZSOIEALJSA-N 302.337 3.034 50 1 DGGF COc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cn1 587087864 XJJLVKXVCUDBRC-SECBINFHSA-N 302.147 3.151 50 1 DGGF O=c1ccc2nc3ccc(OCCBr)cc3oc-2c1 199627366 LAWJZLFGJSXSSJ-UHFFFAOYSA-N 320.142 3.067 50 1 DGGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccccc1O 95809329 XUSLECFWDJAYTG-YBFXNURJSA-N 306.321 3.015 50 1 DGGF COC(=O)[C@@H]1C(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C 621431376 VQRSNMNLKGJMOR-WXHSDQCUSA-N 300.471 3.165 50 1 DGGF CCOC(=O)[C@@H](Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501051 ZPCLKAWUQXZVLZ-CABCVRRESA-N 322.788 3.070 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 261074666 ARNWNXWNQVPINP-CIUDSAMLSA-N 300.189 3.268 50 1 DGGF N#CC1=C2CCCC[C@@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N 169688618 UCPQVOMIAHZITA-GOEBONIOSA-N 301.353 3.243 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587188561 SZYATPSLRPJRGX-LPDYGMJQSA-N 303.325 3.351 50 1 DGGF Cc1cc(Cl)ccc1Oc1ccc(/C=N/NC(N)=O)cc1 27320556 MNIFYTGTCWXNIW-GIJQJNRQSA-N 303.749 3.443 50 1 DGGF COc1cc(OC)cc(/C(=C/C#N)c2ccc(OC)c(O)c2)c1 4837733 SZYHCNMVWARITA-OMCISZLKSA-N 311.337 3.373 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl 35812233 HIBGPRWWCKCJIN-OAHLLOKOSA-N 320.751 3.410 50 1 DGGF C=C1CC[C@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@@H]1CC2(C)C 15449186 HIFLEGNWVFLGLY-XJFOESAGSA-N 304.386 3.054 50 3 DGGF biogenic,in-vitro CC(C)[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195244260 IZFOABIMPBXGKM-FXUFVKKUSA-N 310.390 3.031 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)O2 587380147 BOEFBULFQRDFMF-JLJPHGGASA-N 323.820 3.476 50 1 DGGF CCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 169336543 HHZVODRLGCQPND-UHFFFAOYSA-N 316.269 3.285 50 1 DGGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 13379264 RLCBOPJHZRVMGC-NZBPQXDJSA-N 315.251 3.184 50 1 DGGF biogenic COC(=O)/C=C\[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C 195225820 DCJJESZUJZLSDK-CYZFJHGLSA-N 300.471 3.285 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cscn1)O2 587415223 YMUBEFZPESITPF-CQSZACIVSA-N 308.790 3.133 50 1 DGGF CCOC(=O)[C@@H](Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501052 ZPCLKAWUQXZVLZ-GJZGRUSLSA-N 322.788 3.070 50 1 DGGF Cc1ccccc1N[C@H](C)C(=O)NN/C=C1\C=Nc2ccccc21 13119042 OKEDNIXRDLOWQL-FQZGENGWSA-N 320.396 3.173 50 3 DGGF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cccc(/C=C/C#N)c1 34080927 YXUOXSKHQFTJAO-JXMROGBWSA-N 321.424 3.439 50 1 DGGF N#CC1=C(N)C(C#N)(C#N)[C@@H]([C@@H]2C=CCCC2)[C@@H]2CCCC=C12 35262946 QKAPCCLHXJORFZ-UNEWFSDZSA-N 304.397 3.469 50 1 DGGF CCOc1ccc(NC(=O)N/N=C(\C)c2ccccc2O)cc1 103198204 KEDXXWPMZCWHSF-XDHOZWIPSA-N 313.357 3.337 50 1 DGGF CC(C)C[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 195340961 GUHUDXCGXKVGKM-LXFZOKHFSA-N 310.390 3.175 50 1 DGGF CN1/C(=C\C=N/NC(=O)c2ccncc2)C(C)(C)c2ccccc21 6179300 XRJPFVMZCZCLPP-RNLFYIBWSA-N 320.396 3.109 50 1 DGGF CO[C@H]1O[C@]2(c3ccc(CO)cc3)CC[C@H]3CCCC[C@]13OO2 38153532 QMZOQOSGPNSVQT-BZZMCLGOSA-N 320.385 3.005 50 1 DGGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc12 587188416 RUPFPPAXRHSFBZ-LCYFTJDESA-N 318.336 3.117 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2ccc(C(F)(F)F)cc2[nH]1 587009679 PCTARAXHANZWDF-UHFFFAOYSA-N 319.714 3.172 50 1 DGGF C[C@H](Br)[Si](C)(c1ccccc1)c1ccccc1 217584846 DUGUBGTUPIWVPI-CYBMUJFWSA-N 305.291 3.202 50 1 DGGF CCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 38158799 JLYUTVWRSSYYKV-VCKFNMRLSA-N 310.390 3.175 50 1 DGGF C/C=C\C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 299819561 HBOOSNCGKATHOD-HAAQCUAVSA-N 322.401 3.341 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587187999 NJEJMWGRQLOJCX-POHAHGRESA-N 315.258 3.387 50 1 DGGF O=C1c2cccc3cccc(c23)C(=O)N1CCCCN=C=S 72177934 LTBDOGSPUKTNOJ-UHFFFAOYSA-N 310.378 3.319 50 1 DGGF Cc1ccc([C@@]2([C@@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963956087 UTQCNOUVNXITJT-DYVFJYSZSA-N 303.837 3.087 50 1 DGGF COc1ccc(Cl)cc1C=CC=NNC(=O)c1ccncc1 1857623004 NNSHUPWAPSXPJX-UHFFFAOYSA-N 315.760 3.173 50 1 DGGF C=C1C[C@@]2(C=O)C[C@H]1CC[C@@H]2[C@@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@H]12 2356616817 HBAOEKDIZSJEOC-YVKNDGFWSA-N 316.397 3.054 50 1 DGGF CC(C)c1nn(C)c2c1[C@@H]([C@@H](Br)C(C)C)NCC2 962916689 DCUNYEBQLWMODG-JSGCOSHPSA-N 314.271 3.150 50 1 DGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cscn1)[C@@H](C2)C3=O 587453053 OYYDXBSLKMNJFI-ZUZCIYMTSA-N 321.785 3.033 50 1 DGGF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H](Cl)CCl)nc1-2 587009123 WIIQXTCXWWKASK-UWTATZPHSA-N 319.501 3.495 50 1 DGGF N#CC(/C=C1/C=CC(=O)C([N+](=O)[O-])=C1)=C1\Nc2ccccc2S1 15953226 YFEJKMYQNUGYKV-MDKZIDAVSA-N 323.333 3.165 50 3 DGGF O=C(O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49784041 WOPJIYRZXKDRIM-UHFFFAOYSA-N 308.374 3.088 50 1 DGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cccc(C#N)c1 40762253 GYXCTFPMYGTLRV-KRWDZBQOSA-N 312.332 3.258 50 1 DGGF COc1ccc(Cl)cc1/C=C\C=NNC(=O)c1ccncc1 254046166 NNSHUPWAPSXPJX-KVIWFCKASA-N 315.760 3.173 50 3 DGGF CC1=C(C=O)[C@@H]2C[C@H]3c4[nH]c5ccccc5c4C[C@@H]([C@@H]2CO1)N3C 85916522 QSZUAXIGOGUBNW-BIGGFVEDSA-N 322.408 3.205 50 1 DGGF COC(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495950 HDKFBEWDNXEWAJ-RDJZCZTQSA-N 322.788 3.070 50 1 DGGF CCCC[C@@H](/C=N/NC(=O)OC(C)C)NC(=O)OC(C)(C)C 28570442 FVZWOJHIRACXSX-SEJMYLSOSA-N 315.414 3.190 50 1 DGGF COC(=O)c1cccc2nc(CCCCBr)[nH]c12 586972037 CKNALXMZWGATSP-UHFFFAOYSA-N 311.179 3.067 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCBr)O2 587372595 JVWFBDNEMNGNIF-CQSZACIVSA-N 312.207 3.476 50 1 DGGF NCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 42923495 PSNKTRXMIPMFRW-UHFFFAOYSA-N 307.434 3.353 50 1 DGGF OCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43569416 MOZHZCREPMRDLF-UHFFFAOYSA-N 308.418 3.386 50 1 DGGF COC(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495949 HDKFBEWDNXEWAJ-NVXWUHKLSA-N 322.788 3.070 50 1 DGGF CCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C(=O)OCC 40898746 OVXZJNBYZNBAMV-UHFFFAOYSA-N 315.373 3.102 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)CCl)c[nH]1)O2 587374366 XJRZAVCXHJCIJV-HNNXBMFYSA-N 318.760 3.033 50 1 DGGF CC(=O)OC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497753 KSAHODTYKHYBIU-QGZVFWFLSA-N 322.788 3.071 50 1 DGGF N#CC1=C(N)OC2=C(C(=O)CC2)[C@@H]1c1ccc(Cl)cc1Cl 653834584 ZXZCRFRUMQOBIP-CYBMUJFWSA-N 321.163 3.418 50 1 DGGF BrC/C=C/c1nc2ccnc(Br)c2[nH]1 586972501 VBNFJACTHGOQSY-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF COc1ccc(P(c2ccccc2)c2ccccc2)c(OC)c1 95671058 LGHQSBYIEUHHPN-UHFFFAOYSA-N 322.344 3.462 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169371335 HBOOSNCGKATHOD-QQMLPFBYSA-N 322.401 3.341 50 1 DGGF CC(C)c1nn(C)c2c1[C@H]([C@H](Br)C(C)C)NCC2 962916692 DCUNYEBQLWMODG-TZMCWYRMSA-N 314.271 3.150 50 1 DGGF Cc1ccc([C@@H]2Oc3ccc(C=CC=O)cc3O[C@H]2CO)cc1C 2356409782 SKOCITCMQXEGPF-PMACEKPBSA-N 324.376 3.389 50 1 DGGF Cc1c(C(=O)N/N=C\c2ccccc2F)oc2cccc(O)c12 1911573544 NXIIYQWSODCZBT-OCKHKDLRSA-N 312.300 3.350 50 1 DGGF CCOc1ccc2c(NNC(=O)c3ccco3)cc(C)nc2c1 71342095 VTBMUQHNOZEBBW-UHFFFAOYSA-N 311.341 3.292 50 1 DGGF N#CC1=C(c2ccc(Cl)cc2)C(C(=O)O)=S=C1N=[N+]=[N-] 653794426 OQPRGLZXYQAPRU-UHFFFAOYSA-N 304.718 3.061 50 1 DGGF C/C(C=O)=C/C=C\[C@]1(C)[C@H]2CC[C@@H]3CCC=C(C=O)[C@@H]([C@@H]23)[C@H]1O 205651304 RDJFOFSFIUZPEW-DZPKRLAJSA-N 314.425 3.246 50 1 DGGF COC(=O)c1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1 49878321 USJRGEJMZQJNPG-UHFFFAOYSA-N 316.309 3.389 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 101270973 HBOOSNCGKATHOD-VBXBZTQUSA-N 322.401 3.341 50 1 DGGF BrC/C=C/c1nc2c(Br)ccnc2[nH]1 586972034 CHDUSWWRCOMLAE-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF CCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169337602 JLYUTVWRSSYYKV-QPLXWKHQSA-N 310.390 3.175 50 1 DGGF Cc1ccc2c(ccc3nc(C(C)(C)NC(=O)CCl)[nH]c32)n1 587009809 UMXKNKHHQURJTQ-UHFFFAOYSA-N 316.792 3.010 50 1 DGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cccc(C#N)c1 40762251 GYXCTFPMYGTLRV-QGZVFWFLSA-N 312.332 3.258 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CC1CC1)O2 587376947 ZDWSIHFYTPUUFY-HNNXBMFYSA-N 324.218 3.476 50 1 DGGF Cc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)c1 40587739 SAOXZSSGGLUNRI-QGZVFWFLSA-N 314.348 3.156 50 1 DGGF COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 34041555 GFBMBCIVYMYZRM-QGZVFWFLSA-N 317.348 3.395 50 1 DGGF C[C@@H]1C=C[C@H](COC(=O)CC23CC4CC(CC(C4)C2)C3)OO1 43552961 GBVJFFMMCSVAFZ-CDJLDAARSA-N 306.402 3.411 50 1 DGGF N#Cc1cc2nc(CCCCBr)[nH]c2cc1C#N 586972497 UWCXJKNAZSDNEO-UHFFFAOYSA-N 303.163 3.024 50 1 DGGF COc1ccc(Cl)cc1C#Cc1cccc2c1C(=O)OC2=O 587911194 NDJIHHDXYMBERH-UHFFFAOYSA-N 312.708 3.059 50 1 DGGF CC/C(=C\c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccc(C)cc1 587969224 ZSLRISNNCKSNPL-ACCUITESSA-N 320.396 3.425 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 100861263 AZHCFVWAMHCBIV-IYWCECFBSA-N 323.433 3.090 50 1 DGGF C[C@H](Br)c1nc2ccc(Br)c(O)c2[nH]1 587009013 RGNAZAZXBSZGOZ-BYPYZUCNSA-N 319.984 3.487 50 1 DGGF CO[C@@]1(C)OOC(c2ccccc2)(c2ccccc2)C[C@@H]1CO 1857606266 HRSWTXVREYRKBC-MSOLQXFVSA-N 314.381 3.253 50 1 DGGF CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(C(=O)O)cc2)cc1 1857755462 WHAOWRHAMLRKKB-UDWIEESQSA-N 324.380 3.446 50 1 DGGF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1Cl 2356756150 ZICJORPFSCDDLW-HUUCEWRRSA-N 322.744 3.176 50 1 DGGF N#CC(=C\c1ccc(Cl)cc1)/C=C1\SC(=S)NC1=O 103229601 KXGFLCSPVTYMMZ-WFMPKDELSA-N 306.799 3.279 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C(Cl)Cl)O2 587372382 KVCNRDOSQFKBGV-LBPRGKRZSA-N 308.592 3.324 50 1 DGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 42764286 NLYNIRQVMRLPIQ-QABIIPNLSA-N 312.406 3.231 50 1 DGGF CC(=C(C#N)C#N)c1ccc(OCC(=O)O)c(Cl)c1Cl 169344888 OLEKQJHSDXFMQC-UHFFFAOYSA-N 311.124 3.277 50 1 DGGF C/C=C\C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320149 HBOOSNCGKATHOD-HFGGDMIKSA-N 322.401 3.341 50 1 DGGF O=C1C=C(NNC(=O)c2sc3ccccc3c2Cl)CCC1 6829846 HCJPYRKLGCFQBP-UHFFFAOYSA-N 320.801 3.426 50 1 DGGF Cc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 33977443 HEXHSBIJHSHFLC-INIZCTEOSA-N 302.337 3.090 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587189075 ZQEDGPNLAIOEMT-RIYZIHGNSA-N 302.337 3.034 50 1 DGGF Cc1ccc([C@]2([C@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963956091 UTQCNOUVNXITJT-SUMWQHHRSA-N 303.837 3.087 50 1 DGGF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@H]2[C@H](Cl)CCN3C 2356563152 RRGNVROICAKYCS-AADNMHCOSA-N 304.821 3.064 50 1 DGGF FC(F)(F)c1cc2nc(/C=C/CBr)[nH]c2cn1 586972799 CBOZGEYBOBDRIP-OWOJBTEDSA-N 306.085 3.385 50 1 DGGF COc1cccc(/C=N\NC(=O)c2oc3cccc(O)c3c2C)c1 1911573829 MZJTXZOCJAZEAS-GRSHGNNSSA-N 324.336 3.219 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N=C=O)cc1)O2 587388072 VIERCGIPOPLXSJ-SFHVURJKSA-N 308.337 3.425 50 1 DGGF COC(=O)N[N+](=O)[C@H](c1ccc(OC)cc1)C1CCCCC1 149131237 HPXCZPHXMGWMRR-HNNXBMFYSA-O 307.370 3.367 50 1 DGGF O=C1OC(=O)c2cc(-c3nc4cnc5ccccc5c4[nH]3)ccc21 586905822 DDKLVZKCRSYYFY-UHFFFAOYSA-N 315.288 3.089 50 1 DGGF BrC/C=C/c1nc2cc(Br)ncc2[nH]1 586972325 MJCFUNGUJWTTLQ-OWOJBTEDSA-N 316.984 3.129 50 1 DGGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@@H](O)C2 2356609553 FRWZPOWVSVGUBL-VIRABCJISA-N 317.267 3.408 50 1 DGGF CC(C)[C@]1(C(=O)O)CC[C@](C)(N=C=S)[C@H]2CC[C@@](C)(O)C=C21 2356786047 YRDIFUBGWKWYME-NKKGCODLSA-N 323.458 3.456 50 1 DGGF CC(C)c1ccccc1N1N=C2CSCC=C2C(C#N)=C1N 13838648 CNFJZIFONKMDGO-UHFFFAOYSA-N 310.426 3.353 50 1 DGGF CC(=O)Nc1ccccc1C(F)(F)C(=O)NN=C1CCCCC1 1857645243 JFOURGDTZMHFAT-UHFFFAOYSA-N 323.343 3.173 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(O)cc1)O2 587370632 ARLRMEFHVXRLBA-QGZVFWFLSA-N 317.772 3.382 50 1 DGGF C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccc1 66263065 JHRZDUADAQKYSQ-KGENOOAVSA-N 319.364 3.154 50 1 DGGF C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544205 NCNVUDCDMOGIIQ-CJNGLKHVSA-N 304.729 3.351 50 1 DGGF C[C@@H]1OC(=O)C(=CCCCCCCCCCC=CC=O)[C@H]1O 2356479054 AZUPKVUOQZNWFX-RDJZCZTQSA-N 308.418 3.485 50 1 DGGF C=C(C(=O)O)[C@@H]1C[C@H](CC(=O)O)[C@@]2(C)CCCC(=C)[C@@]2(OO)C1 2356596302 FQPKLWGXZMIQJG-KFZJALRRSA-N 324.373 3.103 50 1 DGGF COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H](C4)[C@@H]1Cl)[C@@H](C2)C3=O 587418089 ACODBXNNNXIHLU-VPBDAXSFSA-N 304.773 3.219 50 1 DGGF C[C@@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 38420756 HFBBAANNESGPQZ-NLKHACGTSA-N 316.441 3.328 50 1 DGGF biogenic,in-vitro C=C1CC[C@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@H]2[C@H]1CC2(C)C 15449181 HIFLEGNWVFLGLY-RFGFWPKPSA-N 304.386 3.054 50 3 DGGF biogenic,in-vitro C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@@H]1O 2356756807 RMJPNJYVWXJAHL-QPSCCSFWSA-N 313.235 3.204 50 1 DGGF CN(C)CCSSCCNC(=O)CC1CCCCC1 618010038 OHJIVLBGEQNQLK-UHFFFAOYSA-N 304.525 3.016 50 1 DGGF BrC/C=C\c1nc2ccnc(Br)c2[nH]1 586972502 VBNFJACTHGOQSY-UPHRSURJSA-N 316.984 3.129 50 1 DGGF C=CCOCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@]12[C@@H](OC)O3 100863699 IUJFBNVQQBEODJ-HMDCTGQHSA-N 312.406 3.195 50 1 DGGF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1Cl 2356756149 ZICJORPFSCDDLW-GJZGRUSLSA-N 322.744 3.176 50 1 DGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@H]2CC[C@@]3(C)O[C@H](O)[C@@]12O3 2356760754 LJLZJJKLXWEJAB-PLZKBRGSSA-N 311.447 3.144 50 1 DGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@@H]3CCC(=O)C[C@@H]3CC[C@]12C 2356339723 VOQNECNRNGXENR-PSLQGDIJSA-N 300.398 3.433 50 1 DGGF CCCc1n[nH]c2c1[C@@H](CCc1ccccc1)C(C#N)=C(N)O2 5074861 ONEYBNZCJDSGNS-ZDUSSCGKSA-N 308.385 3.165 50 3 DGGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccc(O)cc2)c1 28565409 BFVYGPIOQBYOHQ-YBFXNURJSA-N 312.369 3.159 50 1 DGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 34020100 BIMACLOHUHTCPM-SFHVURJKSA-N 321.380 3.345 50 1 DGGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=C[C@@](C)(O)CC2 40872473 RLCBOPJHZRVMGC-VIRABCJISA-N 315.251 3.184 50 1 DGGF N#C/C(=C\c1cccc(O)c1)C(=O)NCCCCc1ccccc1 13799973 ZJBKRHUFBQSFAN-QGOAFFKASA-N 320.392 3.438 50 1 DGGF CC[C@@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587373138 LKWVILMVLPVVAA-XPTSAGLGSA-N 312.207 3.475 50 1 DGGF Fc1cccc2c1[C@@](CCl)(c1ncco1)N1CCC[C@H]1C2 963113400 ULDIQNRFAAIAEL-LRDDRELGSA-N 306.768 3.317 50 1 DGGF CO[C@]1(C)OOC(c2ccccc2)(c2ccccc2)C[C@@H]1CO 1857606267 HRSWTXVREYRKBC-QZTJIDSGSA-N 314.381 3.253 50 1 DGGF C=C1C[C@](CBr)(c2ccc(Cl)cc2)OC1=O 1911575630 VPULZEFUFCPHQH-LBPRGKRZSA-N 301.567 3.433 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)noc1C)O2 587374639 ZAPCJDQSDQEQAC-MRXNPFEDSA-N 320.776 3.282 50 1 DGGF COc1cccc(OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1 103545172 ZBANILDQDUVJRR-VKAVYKQESA-N 321.336 3.443 50 1 DGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Cl 40412167 HMDAMCMNIKFROK-JVQVWZCXSA-N 303.761 3.309 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccccn1)O2 587371148 DMBQVZKBDKPXLV-INIZCTEOSA-N 302.761 3.072 50 1 DGGF Cl[C@H](Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1 40403924 AXVANFGGVFBCHD-CQSZACIVSA-N 313.792 3.381 50 1 DGGF C[C@H](Br)c1nc2cc(Br)ncc2[nH]1 587009010 RBBCZQBLGQODTM-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1C[C@H]2CC[C@@H]1C2 84758537 ARNWNXWNQVPINP-DJLDLDEBSA-N 300.189 3.268 50 1 DGGF C=C(C)[C@H](O)[C@@H]1CC[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@H]12 2356402252 CLUMRIQLNFWQES-QAIIKZMUSA-N 317.267 3.264 50 1 DGGF CC=C1CCN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356406498 XYPWJAOHBKRBSJ-BOUXLOLZSA-N 306.409 3.247 50 1 DGGF Nc1sc2c(c1C(=O)NNc1ccccc1)CCCCC2 102888998 FARKWONVOBFXJP-UHFFFAOYSA-N 301.415 3.356 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195277384 XGVPEEHFWWRAFG-XDPSGGJISA-N 324.417 3.421 50 1 DGGF CN(C)C(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188806 VSDAMTRKGMCNCM-XNTDXEJSSA-N 316.364 3.329 50 1 DGGF C[C@@H]1C(=O)O[C@]2(C)O[C@@]3(C)CC[C@]4(C)[C@H](C)CC[C@@H]1[C@@]24OO3 2356713271 CZGGCUQXLAWLPG-QWSQIMARSA-N 310.390 3.175 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)cnc2[nH]1 586970469 FHAZGDNTRKCMNE-MRVPVSSYSA-N 318.602 3.472 50 1 DGGF COc1cncc2nc([C@H](Br)C(C)(C)F)[nH]c12 587086838 HSUCSWBBAPFSNJ-VIFPVBQESA-N 302.147 3.151 50 1 DGGF N#C/C(=C\c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1 1649380 STEGJXCAMOUJQP-RVDMUPIBSA-N 316.320 3.282 50 1 DGGF CCCC[C@@H](/C=N/NC(=O)CC(C)C)NC(=O)OC(C)(C)C 28570795 PHEROYXMJYDJAH-HNEYUBDGSA-N 313.442 3.218 50 1 DGGF C/C(=N\NC(=O)c1cccnc1)c1ccc(-n2cccc2)cc1 103224060 SPABSNPQWLKUFK-XSFVSMFZSA-N 304.353 3.026 50 1 DGGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C\C(=O)O 194873182 PTDOYLBNFMEWOY-IPLYMAKWSA-N 316.470 3.169 50 1 DGGF C=C1C[C@H](OC(C)=O)C=C(C)CC[C@H](C(C)C)[C@H](O)[C@H]1OO 2356616489 YOWABXYMBGIQEY-NCOADZHNSA-N 312.406 3.096 50 1 DGGF CC(C)(C)NC(=O)c1ccc(N(CCCl)CCCl)cc1 49745948 ILJUMURTXHBGOA-UHFFFAOYSA-N 317.260 3.499 50 1 DGGF CC[C@@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587373135 LKWVILMVLPVVAA-OTYXRUKQSA-N 312.207 3.475 50 1 DGGF N#CC(=C/c1ccc(O)c(O)c1)/C(C#N)=C\c1ccc(O)c(O)c1 238789290 WTHYGKXDNVWLPM-GFIWHYBVSA-N 320.304 3.023 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2ccc(C#N)cc2[nH]1 586970768 GHABCQNZZBGPJM-LLVKDONJSA-N 308.179 3.296 50 1 DGGF O=C(OCc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 1637825 BUVRFKRMHNTMCL-UHFFFAOYSA-N 321.160 3.011 50 1 DGGF C/C(=N/NC(=O)c1ccc(Br)o1)c1cccs1 15997756 YMFXOGHEUXAZOF-QPEQYQDCSA-N 313.176 3.258 50 3 DGGF Cc1ccc(S(=O)(=O)Nc2cccc(C=C(C#N)C#N)c2)cc1 1857575166 YLZOFEBKWGXCAG-UHFFFAOYSA-N 323.377 3.226 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@@H](C)Br)O2 587373732 NIZPDEVHVWGYKV-RFAUZJTJSA-N 324.218 3.475 50 1 DGGF C/C(=N/NC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O 103229018 JVPNETWPGRZAIA-LSCVHKIXSA-N 324.167 3.248 50 1 DGGF N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)C(=O)O 8198671 INFBWLNUHZSDJE-FMIVXFBMSA-N 305.293 3.124 50 1 DGGF CC(C)Oc1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586906229 JWUYVCJOYDTWEB-UHFFFAOYSA-N 322.320 3.328 50 1 DGGF CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC3)cc1 653829450 IBZKMUMPSOUDTM-INIZCTEOSA-N 308.381 3.409 50 1 DGGF CN(C)C[C@H](Br)c1ccc(Br)cc1 38819594 VTKFWVGXDMYJEA-JTQLQIEISA-N 307.029 3.447 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)c1cc(Cl)ccc1O 12475450 CSCIUPSAWHJLCK-MDZDMXLPSA-N 313.744 3.037 50 3 DGGF CCCCCCCCCCNC(=O)NNC(=O)c1ccncc1 1857630758 NXPCFLGIUBJARE-UHFFFAOYSA-N 320.437 3.166 50 1 DGGF COc1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 169694590 JAYSTNFISLCRKF-CJNGLKHVSA-N 305.341 3.067 50 1 DGGF Oc1ccc2c(c1)[C@]1(CCCCC[C@H]1Br)NCC2 963354698 YKTWPEIKQMVJIF-CABCVRRESA-N 310.235 3.461 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cscn1)O2 587415212 YMUBEFZPESITPF-AWEZNQCLSA-N 308.790 3.133 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccnc2ccccc12 49088447 XFXGACUSYCDBHL-SFHVURJKSA-N 319.364 3.166 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195277393 XGVPEEHFWWRAFG-YEJXPRSCSA-N 324.417 3.421 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(C)C)O2 587375130 RCQRRUFXYMCICR-CQSZACIVSA-N 312.207 3.332 50 1 DGGF O=C(O)CCCc1ccc(N(CCCl)OCCCl)cc1 1643119 XXXQAAKNEKUCFT-UHFFFAOYSA-N 320.216 3.310 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2c(C)nc(C)cc2[nH]1 586971763 YKBSOLPAUAQRHT-NSHDSACASA-N 312.211 3.436 50 1 DGGF O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1F 586972506 VIBIZBGSXYODIV-UHFFFAOYSA-N 316.130 3.328 50 1 DGGF CCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195226895 JLYUTVWRSSYYKV-ZEQAOIOLSA-N 310.390 3.175 50 1 DGGF C/C=C/C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195249637 HBOOSNCGKATHOD-BQNVNUNESA-N 322.401 3.341 50 1 DGGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC3)cc1 653829453 IBZKMUMPSOUDTM-MRXNPFEDSA-N 308.381 3.409 50 1 DGGF COc1ccc(C(=O)CSS(=O)(=O)c2ccccc2)cc1 40952268 PCOCVPPKICEZLA-UHFFFAOYSA-N 322.407 3.000 50 1 DGGF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2C=O 71294259 MAVYALTWHWZSCK-WTJPMNHOSA-N 316.441 3.304 50 1 DGGF COC[C@@]1(CCl)c2cccc(Br)c2CCN1C 963271539 VKPKGVSCADNMPU-ZDUSSCGKSA-N 318.642 3.018 50 1 DGGF CC(C)[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169364422 IZFOABIMPBXGKM-OUAHDOIBSA-N 310.390 3.031 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1 13125163 BLUROKUAOUNBOI-SIMUAJLNSA-N 303.365 3.168 50 3 DGGF O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])cc1)c1cccs1 15974409 GMGMYJIETWLNHE-ITGPMQJPSA-N 301.327 3.085 50 1 DGGF C=C1C[C@H](OC(C)=O)C=C(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1OO 2356616491 YOWABXYMBGIQEY-VQHPVUNQSA-N 312.406 3.096 50 1 DGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(C(C)(C)C)[nH]n1 104027226 CLHSEJDTBAULCD-JLHYYAGUSA-N 323.400 3.089 50 3 DGGF N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1n[nH]c(-c2ccccc2)n1 34501473 VZRMUFMZXVTNSJ-NTEUORMPSA-N 317.308 3.444 50 1 DGGF CC(C)[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 101267393 IZFOABIMPBXGKM-MWPPTBCWSA-N 310.390 3.031 50 1 DGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3 169372976 NLYNIRQVMRLPIQ-HZWBCVFESA-N 312.406 3.231 50 1 DGGF CC1(C)COP(=O)([C@@](O)(CCl)c2ccccc2)OC1 103235374 BPBYYYANEBJDHD-ZDUSSCGKSA-N 304.710 3.337 50 1 DGGF C=C(C)[C@H](O)[C@@H]1CC[C@]2(C)[C@H](Br)CC[C@@](C)(O)[C@H]12 2356402253 CLUMRIQLNFWQES-XWSJDDSLSA-N 317.267 3.264 50 1 DGGF C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCC(O)CC2)OO1 43523576 ZQWDLTJAXZIERK-HWOWSKLDSA-N 310.777 3.331 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320150 HBOOSNCGKATHOD-RVATUMSXSA-N 322.401 3.341 50 1 DGGF COC(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2n1 587188127 OHMQGMPLGPOTQT-LCYFTJDESA-N 318.336 3.117 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100860958 XGVPEEHFWWRAFG-QNHMRRABSA-N 324.417 3.421 50 1 DGGF CCO[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169367631 NLYNIRQVMRLPIQ-BZAYLGHBSA-N 312.406 3.231 50 1 DGGF CC1(C)C=C(/C=C/Br)[C@@H](O)C[C@@H]1Br 139769644 DPDAVBNPZDMGLL-FBFNWGNUSA-N 310.029 3.376 50 1 DGGF CCOC(=O)[C@H](Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501053 ZPCLKAWUQXZVLZ-HUUCEWRRSA-N 322.788 3.070 50 1 DGGF C[C@@H]1OC(=O)C(=CCCCCCCCCCC=CC=O)[C@@H]1O 2356479052 AZUPKVUOQZNWFX-DOTOQJQBSA-N 308.418 3.485 50 1 DGGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 38441148 XTKVHTFXTOBMNS-INIZCTEOSA-N 317.348 3.395 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccccn1)O2 587371158 DMBQVZKBDKPXLV-MRXNPFEDSA-N 302.761 3.072 50 1 DGGF C/C=C\C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320153 HBOOSNCGKATHOD-OIGFSLFFSA-N 322.401 3.341 50 1 DGGF C[P@@](=O)(OCCBr)Oc1ccc([N+](=O)[O-])cc1 95605854 FMFGALNRIBTRMV-QGZVFWFLSA-N 324.067 3.208 50 1 DGGF COc1cc2c3c(c1)O[C@](CCl)(C(Cl)Cl)[C@@H](C2)C3=O 587418681 UYKYMIABICGMKJ-SDBXPKJASA-N 321.587 3.224 50 1 DGGF CC[C@@]1(CCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O 103184051 RTWXEKVBUSNILF-BMIGLBTASA-N 324.833 3.291 50 1 DGGF Cc1cc2[nH]c(CCCCBr)nc2cc1[N+](=O)[O-] 586972096 GHSLJOGYLBLICE-UHFFFAOYSA-N 312.167 3.497 50 1 DGGF CN(C)C(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188804 VSDAMTRKGMCNCM-GDNBJRDFSA-N 316.364 3.329 50 1 DGGF CC(/C=C/C=O)=C1\C(=O)C[C@H]2[C@H]3CCC(=O)C[C@@H]3CC[C@]12C 53314467 VOQNECNRNGXENR-ZHGTYJSQSA-N 300.398 3.433 50 1 DGGF CC1(C)C=C(C=CBr)[C@H](O)C[C@@H]1Br 2356557848 DPDAVBNPZDMGLL-BDAKNGLRSA-N 310.029 3.376 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2cc3cn[nH]c3cc2[nH]1 586971345 QRWNMIDFODYUOO-NSHDSACASA-N 323.194 3.300 50 1 DGGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCl)c1ncco1 963112482 SXPCXBSTTYTRFJ-CJNGLKHVSA-N 306.768 3.317 50 1 DGGF COc1cc(OC)cc(/C(=C/C#N)c2ccc(OC)c(N)c2)c1 38819775 BMRJSQBKBWMUHY-OMCISZLKSA-N 310.353 3.250 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 299810439 XGVPEEHFWWRAFG-DINPIGOHSA-N 324.417 3.421 50 1 DGGF COc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cn1 587087865 XJJLVKXVCUDBRC-VIFPVBQESA-N 302.147 3.151 50 1 DGGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CC=C(C)C=O 2356333914 XMGQNBFCAUFSGC-OYSTVDSJSA-N 306.446 3.264 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2nc(Cl)c[nH]c-2n1 587086950 JUTROHCOVGEHIP-YFKPBYRVSA-N 307.554 3.142 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43834483 HBOOSNCGKATHOD-XALVPZQFSA-N 322.401 3.341 50 1 DGGF C[C@H]1OC(=O)C(=CCCCCCCCCCC=CC=O)[C@@H]1O 2356479053 AZUPKVUOQZNWFX-NVXWUHKLSA-N 308.418 3.485 50 1 DGGF CCCC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 43307980 WFEXSHFUYVONEV-KDYIVRDHSA-N 310.390 3.319 50 1 DGGF CC1(C)[C@H]2CC[C@]1(C(=O)NNc1cccc3ncccc13)C(=O)C2 40977055 SVABMINDJHTGJR-HXPMCKFVSA-N 323.396 3.073 50 1 DGGF O=C(O)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 473120622 OXBHCJBTXFYCDJ-UHFFFAOYSA-N 322.401 3.131 50 1 DGGF C[C@@H](c1ccc(CBr)cc1)c1nc2ncc[nH]c-2n1 586973852 PBFANAVJKCFDDD-VIFPVBQESA-N 317.190 3.351 50 1 DGGF C=C1CC[C@]2(C[C@@H]1O)C(=C)C[C@@H](O)[C@@H](Br)C2(C)C 2356792356 JPQFLLUKZUXZQJ-COMQUAJESA-N 315.251 3.184 50 1 DGGF C/C=C/C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195273975 HBOOSNCGKATHOD-QNCORXOKSA-N 322.401 3.341 50 1 DGGF CC1(C)C=C(/C=C/Br)[C@H](O)C[C@H]1Br 238775546 DPDAVBNPZDMGLL-HUGTUPKYSA-N 310.029 3.376 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(CCCl)c1C)O2 587376076 PUXFKNZAMWWCLJ-HNNXBMFYSA-N 319.792 3.027 50 1 DGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(OC)cc1 103191743 KOZJXUKCJYSHHE-UHFFFAOYSA-N 311.809 3.160 50 1 DGGF O=C(N/N=C/c1cccc(O)c1)c1ccc(C(F)(F)F)cc1 1857760729 WXJBVBBLMBANKW-DJKKODMXSA-N 308.259 3.175 50 1 DGGF N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1n[nH]c(-c2ccccc2)n1 38144718 ASFXIWZYLRAKAV-DHZHZOJOSA-N 307.269 3.037 50 1 DGGF CCc1oc2ccccc2c1-c1nc2ccc(C(=O)NN)cc2[nH]1 586903660 MPGIVIUTEQFFJX-UHFFFAOYSA-N 320.352 3.142 50 1 DGGF COC(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188869 WPFAOPWRJVZRLD-ZROIWOOFSA-N 303.321 3.414 50 1 DGGF CCC[S@@](=O)c1ccc(N(CCCl)CCCl)cc1 22117 HHHKDWWSZTYMNR-SFHVURJKSA-N 308.274 3.488 50 1 DGGF N#C[C@H](C(=O)CCl)c1nc2c(s1)CCc1ccccc1-2 6454674 RTIIMBNVGDBJKS-LLVKDONJSA-N 302.786 3.324 50 1 DGGF COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 38441147 XTKVHTFXTOBMNS-MRXNPFEDSA-N 317.348 3.395 50 1 DGGF O=C(NN/C=C/c1ccccc1)c1cc(/C=C\c2ccco2)on1 49525631 SDSIWTSQGSJMFJ-QNRZBPGKSA-N 321.336 3.343 50 1 DGGF C=CCOC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103187419 LOVQCYAEOLPIBZ-ZNLWFRPKSA-N 324.417 3.194 50 1 DGGF CC1(C)C=C(C=CBr)[C@@H](O)C[C@H]1Br 2356557849 DPDAVBNPZDMGLL-DTWKUNHWSA-N 310.029 3.376 50 1 DGGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(OC)cc2)cc1 5882809 MAKSLGJOEWEGAR-CVEARBPZSA-N 317.772 3.399 50 1 DGGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1C#N 473157252 UQYQJMIAEHYPKP-MRXNPFEDSA-N 319.364 3.009 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCC(C=O)=C1Cl)O2 587380161 BWKJXYSJRMQLMH-XHDPSFHLSA-N 319.788 3.403 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cnc2[nH]1 586970470 FHAZGDNTRKCMNE-QMMMGPOBSA-N 318.602 3.472 50 1 DGGF COC(=O)c1ccccc1OCC1=CC=C(CO)SS1 6482711 QYXDTTWTBUQQRC-UHFFFAOYSA-N 310.396 3.007 50 1 DGGF Cc1cnc(C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)o1 147598000 WTGNTPNHTYFAQK-ONNFQVAWSA-N 316.382 3.120 50 1 DGGF O=C(O)c1cc(F)c(N(CCCl)CCCl)c(F)c1F 28470268 ILTNEXXPRBBMNM-UHFFFAOYSA-N 316.106 3.086 50 1 DGGF CCCCCCOC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 45318144 ZFZROBQIBIQARI-HCRXKHKBSA-N 309.322 3.493 50 1 DGGF CC1=COC2=C(CBr)C(=O)C(=O)c3c(C)ccc1c32 28564915 JPMGMOQQBONRPP-UHFFFAOYSA-N 319.154 3.257 50 1 DGGF CN(C)/C=C(\C#N)C(=O)Nc1scc(-c2ccccc2)c1C#N 84635973 TVRUBSZWCWLXHC-JLHYYAGUSA-N 322.393 3.194 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2c(Cl)ccnc2[nH]1 586971302 QTWOUZJPLCRVMC-MRVPVSSYSA-N 318.602 3.472 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](Br)C(C)C)O2 587375122 RCQKLKCIRAFYGN-CHWSQXEVSA-N 312.207 3.331 50 1 DGGF CC[C@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587373139 LKWVILMVLPVVAA-YMTOWFKASA-N 312.207 3.475 50 1 DGGF CCCC[C@H](OC)c1cccc(NC(=O)NC(=O)CCl)c1 53299091 RJYCQLFIBTZJDX-ZDUSSCGKSA-N 312.797 3.451 50 1 DGGF Oc1ccc2c(c1)[C@@]1(CCCCC[C@H]1Br)NCC2 963354700 YKTWPEIKQMVJIF-HUUCEWRRSA-N 310.235 3.461 50 1 DGGF Cc1ccc([C@]2([C@@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963956077 UTQCNOUVNXITJT-CXAGYDPISA-N 303.837 3.087 50 1 DGGF O=C(c1ccccc1I)C(Cl)Cl 1857774833 ZXEABHUDQFYRIP-UHFFFAOYSA-N 314.937 3.278 50 1 DGGF COc1ccc(-n2ncc(C(=O)Cl)c2C(F)(F)F)cc1 102910656 XQZNQLGRZHKWDV-UHFFFAOYSA-N 304.655 3.279 50 1 DGGF C[C@H](Br)c1nc2cc(Br)cnc2[nH]1 587008109 HKDZYBJDBRNRHT-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 43397127 AZHCFVWAMHCBIV-QVGWGDDASA-N 323.433 3.090 50 1 DGGF N#Cc1cc(Cl)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586908006 PXESGUKEBXDETB-UHFFFAOYSA-N 323.695 3.066 50 1 DGGF COC(=O)[C@H]1C(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C 621431375 VQRSNMNLKGJMOR-KGYLQXTDSA-N 300.471 3.165 50 1 DGGF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Br)[C@@H](C2)C3=O 587417022 IKHAZSLQLJLKDF-NVBFEUDRSA-N 323.186 3.129 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2ccc3c(c2[nH]1)CCCC3 587009415 DXBKSJKQSFYOAK-UHFFFAOYSA-N 305.809 3.032 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@@H](C)Br)O2 587373731 NIZPDEVHVWGYKV-PSLIRLAXSA-N 324.218 3.475 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2cccc(C(F)(F)F)c2[nH]1 587009798 TZRMLDDGFZQGCA-UHFFFAOYSA-N 319.714 3.172 50 1 DGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@H]1Cl 58539489 HMDAMCMNIKFROK-LIEFSGRHSA-N 303.761 3.309 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(CCO)cc3[nH]2)cc1 587188132 OIQFUOPLXMDUSL-MHWRWJLKSA-N 303.365 3.470 50 1 DGGF C=C1CC[C@@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@H]1CC2(C)C 8214936 HIFLEGNWVFLGLY-XDQVBPFNSA-N 304.386 3.054 50 3 DGGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)O2 587380149 BOEFBULFQRDFMF-YSVLISHTSA-N 323.820 3.476 50 1 DGGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@@H]1Cl 587461881 NUDXTQUAJDCLSQ-BHYGNILZSA-N 324.804 3.465 50 1 DGGF Cc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 40781795 UVELIUMDBOIQBH-KRWDZBQOSA-N 316.364 3.100 50 1 DGGF COc1ccc(/C=N/NC(=O)c2coc3ccccc23)c(OC)c1 73310193 XALWYJDZRLTKQV-VXLYETTFSA-N 324.336 3.214 50 1 DGGF CCOC(=O)[C@@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103193361 UDCVNNSHYJLSRC-CYBMUJFWSA-N 323.820 3.457 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101511491 ARNWNXWNQVPINP-HLTSFMKQSA-N 300.189 3.268 50 1 DGGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C#N)CC[C@@H]12 34372276 VWPSPZKMTKVOKR-ZOCIIQOWSA-N 308.381 3.261 50 1 DGGF CCCCc1cc(/C=C(\C#N)C(N)=O)cc(CCCC)c1O 40449335 YUYOFMZOXGUDOD-LFIBNONCSA-N 300.402 3.470 50 1 DGGF C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccccn1 15854502 ZOXYYSWRPSXYFE-NDENLUEZSA-N 305.337 3.094 50 1 DGGF COC(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972219 KDIOGECUSVLSCT-UHFFFAOYSA-N 311.179 3.067 50 1 DGGF O=C1C(=NCc2ccccc2)[C@@H](Cl)C(=O)C(Cl)=C1Cl 2356840500 MRSZCEJYXJWHIC-SNVBAGLBSA-N 316.571 3.076 50 1 DGGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1coc2ccccc12 73310863 AJOKPGVUQDGMQP-RQZCQDPDSA-N 309.281 3.105 50 1 DGGF COc1ccc(/C=N/NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 64548454 ITMYGWIYDJHSAP-FRKPEAEDSA-N 312.156 3.094 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169339260 XGVPEEHFWWRAFG-AUSYMXBASA-N 324.417 3.421 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCBr)O2 587372591 JVWFBDNEMNGNIF-AWEZNQCLSA-N 312.207 3.476 50 1 DGGF CCC(C)(C)[C@@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962932449 PJITYCYDUUJNHC-SFHVURJKSA-N 322.880 3.404 50 1 DGGF C/C(=N\NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cnccn1 1857642205 GWRBLHUGPRCUEQ-YVTASODJSA-N 322.412 3.328 50 1 DGGF BrC/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3 586972977 DRZKYAHUPFQOIA-IWQZZHSRSA-N 309.163 3.132 50 1 DGGF CCCOc1ccc(CC(=O)N/N=C/c2ccc(F)cc2)cc1 6500723 WVZHMZUCFMVVOL-DEDYPNTBSA-N 314.360 3.307 50 1 DGGF CC1(C)[C@@H](Br)CC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@H]2CO 95601457 GXAPUVTZASMJLL-ZCRGAIPPSA-N 319.283 3.346 50 1 DGGF CC(C)[C@@H](NC(=O)CCl)c1cc2c3c(cccc3n1)CC2 587208817 BDJWVXDZEJOXRB-QGZVFWFLSA-N 302.805 3.386 50 1 DGGF Cc1cc(Cl)cc2nc(C(C)(C)NC(=O)CCl)[nH]c12 587009554 KWRZYSWZUUSWGS-UHFFFAOYSA-N 300.189 3.115 50 1 DGGF Cc1cc2nnn(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)c2cc1C 38606059 PPWWYRNWNGXSGK-OQLLNIDSSA-N 319.324 3.478 50 1 DGGF CN(C)/C=C(\C#N)c1cc(-c2ccc(Br)cc2)[nH]n1 96934912 WJNQRYCMQPMUDS-PKNBQFBNSA-N 317.190 3.265 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169366145 XGVPEEHFWWRAFG-PXQKYZCASA-N 324.417 3.421 50 1 DGGF COc1cncc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587086835 HSUCSWBBAPFSNJ-SECBINFHSA-N 302.147 3.151 50 1 DGGF CCOC(=O)[C@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103193364 UDCVNNSHYJLSRC-ZDUSSCGKSA-N 323.820 3.457 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43834479 HBOOSNCGKATHOD-UZWIFWLDSA-N 322.401 3.341 50 1 DGGF N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)c1ccc(O)c(O)c1 5840032 TWEQSBKXFOZXRA-RIYZIHGNSA-N 304.305 3.369 50 1 DGGF Cc1ccccc1-c1cc(O)n(-c2ccnc(CCl)n2)c1O 587939636 HXHUSMMWZFROEA-UHFFFAOYSA-N 315.760 3.393 50 1 DGGF O=C(CCl)NCc1c(O)c(Cl)cc(Cl)c1Cl 27864562 XDIWPAXRPRWVCR-UHFFFAOYSA-N 302.972 3.207 50 1 DGGF C[C@H]1CC[C@@H](C(=O)N(Nc2ccccc2)c2ccccc2)C(=O)O1 504374331 HBXSLAVGMQGYJX-YOEHRIQHSA-N 324.380 3.388 50 1 DGGF biogenic Cc1ccc(Sc2cncc3sc(C(=O)NN)cc23)cc1 13862327 FTUONNQXYRDSJJ-UHFFFAOYSA-N 315.423 3.359 50 1 DGGF O=C(NCc1ccccc1)NNc1c(Cl)cncc1Cl 84654756 DPLXUKDQTLDELN-UHFFFAOYSA-N 311.172 3.215 50 1 DGGF CC12CCC3(Cc4ccc([N+](=O)[O-])cc4)[C@](C)(OO[C@@]3(C)O1)O2 95555881 IJSQPDMZBGXICI-IRHLINNNSA-N 321.329 3.075 50 1 DGGF C=C1C(C)=C(C#N)C(=O)N1c1cc(Cl)ccc1OC(=O)CC 64510620 IWQQWBPTZWWADW-UHFFFAOYSA-N 316.744 3.356 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 169339374 AZHCFVWAMHCBIV-VVFUYJBOSA-N 323.433 3.090 50 1 DGGF O=C(Cc1ccc(Br)cc1)OC1CSSC1 96911526 PKJPXZUDXGVSHQ-UHFFFAOYSA-N 319.245 3.298 50 1 DGGF N#C/C(=C(/O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 101650382 PZZBYJZORPVGRS-JYRVWZFOSA-N 312.310 3.482 50 1 DGGF CCCCC[C@H]1C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 4357432 HJUUUGDRRUIJBR-MMEUWEMUSA-N 301.434 3.419 50 3 DGGF COc1cc(/C=N/NC(=O)Nc2c(C)cccc2C)ccc1O 28526170 FXQWBVUFLRWESE-VCHYOVAHSA-N 313.357 3.173 50 1 DGGF N[P@@](=O)(NCCC(Cl)Cl)O/N=C\C1CCCC1 29475125 HQEPXLRHMIKUEV-FUIJVIPGSA-N 302.142 3.029 50 1 DGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 103195900 NLYNIRQVMRLPIQ-ANPQPDMRSA-N 312.406 3.231 50 1 DGGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N=C=O)c1)[C@@H](C2)C3=O 587430142 RWUDZCWIUYLMJT-KXBFYZLASA-N 321.332 3.325 50 1 DGGF CCOC(=O)[C@H](Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501054 ZPCLKAWUQXZVLZ-LSDHHAIUSA-N 322.788 3.070 50 1 DGGF Cc1ccc([C@@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1 35030234 LGANXEGVOPMVNA-MRXNPFEDSA-N 307.397 3.019 50 1 DGGF CC/C(=N/NC(N)=O)c1ccccc1Oc1ccc(F)cc1 27310502 UPYZVAKOLFCEBB-RGEXLXHISA-N 301.321 3.400 50 1 DGGF CC1(C)C=CC(=O)C([C@H](Br)CBr)=C1 85952069 VAKDFVRXKGGLSC-MRVPVSSYSA-N 308.013 3.236 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1O 2356579019 OHHPIXHKUDAQAW-AJNGGQMLSA-N 313.235 3.204 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 13125165 BLUROKUAOUNBOI-WJUDILCISA-N 303.365 3.168 50 3 DGGF CC[C@@]1(CCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O 103184046 RTWXEKVBUSNILF-BONVTDFDSA-N 324.833 3.291 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587188241 PURDRANMPNBCKR-WUXMJOGZSA-N 305.297 3.239 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 587087300 ODVMDAKNFYVJQW-NSHDSACASA-N 321.153 3.490 50 1 DGGF Cc1c(F)ccc2c1[C@@](CCl)(c1ccccc1N)NCC2 962304215 ZIURAHCOUBBINM-QGZVFWFLSA-N 304.796 3.344 50 1 DGGF CC=C1CCN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356406499 XYPWJAOHBKRBSJ-QMIHWGKISA-N 306.409 3.247 50 1 DGGF C=C(C=O)c1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O 1653977 GDKOOOSGQUWYIV-UHFFFAOYSA-N 313.312 3.222 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195235332 XGVPEEHFWWRAFG-NACHVIBHSA-N 324.417 3.421 50 1 DGGF FC(F)(F)c1cnc2[nH]c(/C=C/CBr)nc2c1 586973366 IQQIXVSHPJWRHY-OWOJBTEDSA-N 306.085 3.385 50 1 DGGF C=Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873395 WAIRSVFGTGAYPW-OQLLNIDSSA-N 301.327 3.063 50 1 DGGF C/C=C1/C[N@@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 253918683 ZEMNDQUOMWGCAZ-AAPASWPHSA-O 307.417 3.002 50 3 DGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cocn1)CC2=O 587458427 BJMQDXQGVCWJNR-MRXNPFEDSA-N 321.760 3.432 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2ccc(C(=N)N)cc2[nH]1 587086645 FUVXDGSEWNZIQO-VIFPVBQESA-N 313.174 3.031 50 1 DGGF C[C@@H](NC(=O)OCCCl)c1nc2ccc(F)cc2s1 653709050 QFJHCNXZSUTTHE-SSDOTTSWSA-N 302.758 3.461 50 1 DGGF Cc1nc2ccccc2n1CC(=O)N/N=C\C=C\c1ccccc1 4855070 OBRIRPAPWWRYPO-WAYKPHQQSA-N 318.380 3.160 50 3 DGGF CCO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3 136510002 NLYNIRQVMRLPIQ-ZNWFLGFFSA-N 312.406 3.231 50 1 DGGF C#C[C@]12C=C(C#N)C(=O)C=C1c1c(Br)cccc1CC2 473137598 XZRSIZIJARFCKL-KRWDZBQOSA-N 324.177 3.431 50 1 DGGF Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\CCCC(=O)C2)c1 102914900 HBHPZEVGRNZLFL-XMHGGMMESA-N 316.401 3.113 50 1 DGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cocn1)CC2=O 587458426 BJMQDXQGVCWJNR-INIZCTEOSA-N 321.760 3.432 50 1 DGGF C=C[C@@](C)(O)CC[C@H]1C(=C)[C@H](O)C[C@@H](Br)C1(C)C 85912600 IZWGWCHZYVMDQK-KYEXWDHISA-N 317.267 3.430 50 1 DGGF N#C/C(=C\[c-]1ccc(=O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 169689138 BLWDSLWTQSNDHJ-YRNVUSSQSA-N 322.325 3.348 50 1 DGGF CO[C@@]1(C)OOC(c2ccccc2)(c2ccccc2)C[C@H]1CO 1857606268 HRSWTXVREYRKBC-ROUUACIJSA-N 314.381 3.253 50 1 DGGF O=C(N/N=C/c1c(F)cccc1F)c1nsc2ccccc12 1857774883 MUIRWSXSWIJWLK-QGMBQPNBSA-N 317.320 3.338 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 587188456 TVYFROPOYMRWBG-RIYZIHGNSA-N 301.353 3.220 50 1 DGGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169371199 NLYNIRQVMRLPIQ-DKYJUROGSA-N 312.406 3.231 50 1 DGGF COC(=O)c1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cn1 587188835 XRJNGOYSULFIMI-NTUHNPAUSA-N 318.336 3.117 50 1 DGGF CN(/N=N/c1ccc(C#N)cc1)C(=O)CCc1cccc(O)c1 1772588073 ONUAUHMNXOXEDO-FMQUCBEESA-N 308.341 3.354 50 1 DGGF N#CC1=C(N)C(C#N)(C#N)[C@@H]([C@H]2C=CCCC2)[C@@H]2CCCC=C12 20058169 QKAPCCLHXJORFZ-LXZKKBNFSA-N 304.397 3.469 50 1 DGGF CC(C)[C@]1(C(=O)O)CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C21 2356786049 YRDIFUBGWKWYME-VDNDLQMASA-N 323.458 3.456 50 1 DGGF CCCc1n[nH]c2c1[C@H](CCc1ccccc1)C(C#N)=C(N)O2 5074862 ONEYBNZCJDSGNS-CYBMUJFWSA-N 308.385 3.165 50 3 DGGF Cc1c(Cl)ccc2nc(C(C)(C)NC(=O)CCl)[nH]c12 587009128 WQOJGIXFYXMZMU-UHFFFAOYSA-N 300.189 3.115 50 1 DGGF Cc1ccccc1C(=O)N/N=C/c1cc(C(F)(F)F)ccc1O 1857583193 RNTGSVJJTNXBOV-AWQFTUOYSA-N 322.286 3.483 50 1 DGGF N#C/C=C1/c2ccccc2N=C(N2CCOCC2)c2ccccc21 49649388 IDGZTOINYCKKDF-CXUHLZMHSA-N 315.376 3.366 50 1 DGGF C[C@H](Br)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587009266 YRZRUTXOPXEZTE-BYPYZUCNSA-N 305.078 3.340 50 1 DGGF O=C(Oc1ccccn1)c1cc2cc(CCl)ccc2oc1=O 12947745 SCFXEDNQUIBVKD-UHFFFAOYSA-N 315.712 3.146 50 1 DGGF N#Cc1cc(Br)c2[nH]c(CBr)nc2c1 586970473 BNXYTUDYWWHYAJ-UHFFFAOYSA-N 314.968 3.092 50 1 DGGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(F)c1 13864067 PBGPSQOYYDJNDF-KEBDBYFISA-N 324.311 3.154 50 1 DGGF O=C(NNc1c(Cl)cncc1Cl)C1Cc2ccccc2C1 84654761 CMMMFNQHZNIJGB-UHFFFAOYSA-N 322.195 3.247 50 1 DGGF C[C@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@@]2(C)CC1 14691064 HFBBAANNESGPQZ-IQCLKLAJSA-N 316.441 3.328 50 1 DGGF biogenic CC/C(=N/NC(N)=O)c1ccc(Oc2ccc(F)cc2)cc1 27317054 PDTMXWOCPKDWMC-CYVLTUHYSA-N 301.321 3.400 50 1 DGGF C=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]2CC=C(C=O)[C@]3(O)C=O)C[C@H]1C 2356713219 BYJVGYGCKLVETO-FJXKMDGLSA-N 302.414 3.080 50 1 DGGF O=C1OC(=O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23 85612465 ODZFJYLPTNQEQL-UHFFFAOYSA-N 306.273 3.229 50 1 DGGF CO[C@@H]1O[C@]2(c3ccc(CO)cc3)CC[C@H]3CCCC[C@]31OO2 101480829 QMZOQOSGPNSVQT-NRSFXHEJSA-N 320.385 3.005 50 1 DGGF O=C(N/N=C(/c1ccccc1)c1cccnc1)c1cccs1 33697423 SGRCZRSHSKCCPL-MNDPQUGUSA-N 307.378 3.326 50 1 DGGF C/C(=N\NC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O 261123392 JVPNETWPGRZAIA-QGMBQPNBSA-N 324.167 3.248 50 1 DGGF Fc1cccc2c1[C@@](CCl)(c1ncco1)N1CCC[C@@H]1C2 963113416 ULDIQNRFAAIAEL-WBMJQRKESA-N 306.768 3.317 50 1 DGGF CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc2c(c1)OCCO2 6996919 KDSNKJHSVLPFHX-BSNOEWQHSA-N 322.364 3.277 50 3 DGGF CC1=C(C/C=N/NC(=O)CCCCC(=O)NO)C(C)(C)CCC1 95809388 LIVPPMZDRJWRRC-LDADJPATSA-N 323.437 3.071 50 1 DGGF N#C/C=C\CCN1C(=O)CN=C(c2ccccc2)c2ccccc21 653912228 VFMFAOUGWHRZEW-UQCOIBPSSA-N 315.376 3.340 50 1 DGGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc12 587188417 RUPFPPAXRHSFBZ-UKTHLTGXSA-N 318.336 3.117 50 1 DGGF C/C(=N/NC(N)=O)c1ccc(Sc2ccc(F)cc2)cc1 27321271 ZIEHZAGLAXOHGY-ZDLGFXPLSA-N 303.362 3.369 50 1 DGGF COC(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495953 HDKFBEWDNXEWAJ-WBVHZDCISA-N 322.788 3.070 50 1 DGGF NC(=O)N/N=C/c1ccc(Oc2ccc(Cl)cc2F)cc1 27316541 VYCHOERZTGRWHO-QGMBQPNBSA-N 307.712 3.274 50 1 DGGF CC(C)[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101267389 IZFOABIMPBXGKM-BLVYJDQTSA-N 310.390 3.031 50 1 DGGF C[C@H](Br)c1nc2cncc(Br)c2[nH]1 587008733 NPMGKAOYSMRHOL-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(C)C)O2 587375127 RCQRRUFXYMCICR-AWEZNQCLSA-N 312.207 3.332 50 1 DGGF N#CC(=Cc1ccc(O)c(O)c1)C(C#N)=Cc1ccc(O)c(O)c1 2356475960 WTHYGKXDNVWLPM-UHFFFAOYSA-N 320.304 3.023 50 1 DGGF CN1/C(=C(\C#N)C(=O)c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 104016626 WYRRFPBBUAPFQC-GHRIWEEISA-N 320.308 3.075 50 3 DGGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1O 2356579020 OHHPIXHKUDAQAW-KBXIAJHMSA-N 313.235 3.204 50 1 DGGF COc1cccc2nc([C@@H](Br)C(C)(C)OC)[nH]c12 586971653 VJXDNWVFKSKASY-LLVKDONJSA-N 313.195 3.433 50 1 DGGF C=C[C@@](O)(CBr)CC[C@@H](Br)C(=C)C 1638711 MAIAZZXAWULVPY-ZJUUUORDSA-N 312.045 3.418 50 1 DGGF CN(/N=N/c1ccc(C#N)cc1)C(=O)NCCc1ccc(O)cc1 43061848 FPNROHRPFZERRO-QZQOTICOSA-N 323.356 3.147 50 1 DGGF COC(=O)C12CC3C[C@H](C1)C1(OOC4(CCCCC4)O1)[C@H](C3)C2 102044835 WVCCXAVCOSGLPO-LYPUERPUSA-N 322.401 3.321 50 1 DGGF C[C@@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@@]2(C)CC1 14691062 HFBBAANNESGPQZ-KGUHOSCRSA-N 316.441 3.328 50 1 DGGF CCO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 44265310 NLYNIRQVMRLPIQ-LJQKDAIMSA-N 312.406 3.231 50 1 DGGF C/C=C1\CCN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14 238786811 XYPWJAOHBKRBSJ-LJESTCEFSA-N 306.409 3.247 50 1 DGGF COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)ccc1O 299838175 LVAGXKIHBPJMAA-WOJGMQOQSA-N 314.341 3.003 50 1 DGGF N[C@@H](N=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972134 HNVZJWNGZSRQJG-LBPRGKRZSA-N 311.183 3.004 50 1 DGGF COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1 1619681 UVFDAEOUCRNSKO-UHFFFAOYSA-N 310.396 3.185 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N=C=O)c1)O2 587388178 XFYSSXVMHYKATA-GOSISDBHSA-N 308.337 3.425 50 1 DGGF OCC1=CC=C(COc2ccc(-n3ccnc3)cc2)SS1 5933473 CHTSKNJHCMCNKG-UHFFFAOYSA-N 318.423 3.406 50 1 DGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C/CCl 587876535 HGDCGJDZVKAUJL-HNQUOIGGSA-N 316.615 3.451 50 1 DGGF C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCl 587875215 PKIZMDZPUINXRR-UHFFFAOYSA-N 316.615 3.451 50 1 DGGF CC(C)[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169364421 IZFOABIMPBXGKM-UWTPWHAJSA-N 310.390 3.031 50 1 DGGF C=C1CC[C@]2(C[C@@H]1O)C(=C)C[C@H](O)[C@H](Br)C2(C)C 2356792355 JPQFLLUKZUXZQJ-ABHRYQDASA-N 315.251 3.184 50 1 DGGF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1ccnc(CCl)n1 587941442 VLNPEECBNPCBBQ-UHFFFAOYSA-N 319.723 3.223 50 1 DGGF C#C[C@@]12C=C(C#N)C(=O)C=C1c1c(Br)cccc1CC2 473137599 XZRSIZIJARFCKL-QGZVFWFLSA-N 324.177 3.431 50 1 DGGF C[C@@H]1COc2ccccc2N1C1=NC(=O)[C@](C)(CCCl)S1 103184061 DQUBQYVVQFVTDH-BMIGLBTASA-N 324.833 3.291 50 1 DGGF Cc1ccc([C@@H]2Oc3ccc(C=CC=O)cc3O[C@@H]2CO)cc1C 2356409783 SKOCITCMQXEGPF-UXHICEINSA-N 324.376 3.389 50 1 DGGF CC#CCCCCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587957180 RTYWWGXELRARAU-UHFFFAOYSA-N 312.417 3.073 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCC(C=O)=C1Cl)O2 587380158 BWKJXYSJRMQLMH-ABAIWWIYSA-N 319.788 3.403 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cnc(Cl)[nH]c-2n1 587087571 RPDUSWFNAMPNQS-YFKPBYRVSA-N 307.554 3.142 50 1 DGGF CCn1cc(/C=N\NC(=O)c2csc3ccccc23)c(C)n1 13111507 KJLSMMXBTBWAAA-IUXPMGMMSA-N 312.398 3.190 50 3 DGGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCc1ccccc1 13821498 HKRHZIHACCIQDM-LFIBNONCSA-N 323.348 3.181 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169366148 XGVPEEHFWWRAFG-OVLIHDPGSA-N 324.417 3.421 50 1 DGGF CC(C=O)=CC=C[C@]1(C)[C@H](O)[C@@H]2C(C=O)=CCC[C@@H]3CC[C@@H]1[C@H]32 2356538099 RDJFOFSFIUZPEW-YLKQWYNWSA-N 314.425 3.246 50 1 DGGF Cc1ccc(/C=C(/C#N)c2nc3cccc(C(N)=O)c3[nH]2)cc1 587189067 ZOVOHXUSUWZCJE-LCYFTJDESA-N 302.337 3.034 50 1 DGGF CC[C@H](Cc1ccccc1)NNC(=O)c1cc2ccccc2[nH]1 1857619627 LBZHIPJSDJNUGE-MRXNPFEDSA-N 307.397 3.424 50 1 DGGF CCCC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 101269059 WFEXSHFUYVONEV-ZFCIPKFXSA-N 310.390 3.319 50 1 DGGF CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1 205339136 UDXYJPQQUFVRCJ-GXDHUFHOSA-N 302.374 3.313 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccn(C)c1)O2 587373865 TYHHZVAUXRAHQR-INIZCTEOSA-N 304.777 3.015 50 1 DGGF C=C(C#N)CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875108 OLKXAGGIOOLGOS-UHFFFAOYSA-N 307.180 3.125 50 1 DGGF Cc1ccc(C(=O)NCCCSSCCN(C)C)cc1 618009279 ANGVMXVUHWQDBB-UHFFFAOYSA-N 312.504 3.058 50 1 DGGF C[C@]1(Cl)CC[C@H]([C@]2(C)C=CC(=O)O2)C[C@@H]1Br 13379356 ASFOVSPTTGYDMB-QSFUFRPTSA-N 307.615 3.419 50 1 DGGF biogenic CC(C)C[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 195340979 GUHUDXCGXKVGKM-JTPDDLHWSA-N 310.390 3.175 50 1 DGGF CCOc1ccccc1C(=O)NN/C=C1\C=Nc2ccccc21 13119211 BGQIPMOQCVOOAM-OUKQBFOZSA-N 307.353 3.077 50 3 DGGF N#CC1=C(N)Oc2c(ccc3cc[nH]c23)[C@H]1c1cccc(C#N)c1 38440932 HMIDRJIJLTZELH-MRXNPFEDSA-N 312.332 3.258 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccn1C)O2 587373441 QQAFUSSBSMWLRI-MRXNPFEDSA-N 304.777 3.015 50 1 DGGF Cc1cc2nnn(/C(C#N)=C/c3ccc4c(c3)OCO4)c2cc1C 72125870 DRVGLOXXEKWMTJ-VGOFMYFVSA-N 318.336 3.299 50 1 DGGF O=C(O)c1cc(F)cc2nc(CCCCBr)[nH]c12 586972244 KVCZHEVZGFKTHU-UHFFFAOYSA-N 315.142 3.118 50 1 DGGF CN(C)CCOc1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008944 SKDDBVMCXYUBIY-SNVBAGLBSA-N 302.205 3.022 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)[C@H]1C[C@H]1c1ccccc1 13125166 BLUROKUAOUNBOI-KIXISSKZSA-N 303.365 3.168 50 3 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 100860951 XGVPEEHFWWRAFG-CBNRLADKSA-N 324.417 3.421 50 1 DGGF O=C(N/N=C\c1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 103183906 GAFPZGGVFIPVEO-NHDPSOOVSA-N 314.348 3.480 50 1 DGGF CC(=O)Oc1ccccc1C(=O)Oc1ccccc1/C=C/C=O 1857651800 NMENLYUMRCXIJR-SOFGYWHQSA-N 310.305 3.043 50 1 DGGF COc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 587086954 JXRVMWZFROSJTA-QMMMGPOBSA-N 302.147 3.151 50 1 DGGF C=C(C)[C@H](O)[C@@H]1CC[C@@]2(C)[C@H]1[C@](C)(O)CC[C@H]2Br 2356402251 CLUMRIQLNFWQES-PMKSJIGOSA-N 317.267 3.264 50 1 DGGF O=C(Nc1ccccc1O)OCC1=CC=C(CO)SS1 6567945 IOVIARJDMVQZQV-UHFFFAOYSA-N 311.384 3.096 50 1 DGGF CCOC(=O)CN(C(=O)CCl)C(=C(C)C)c1ccccc1 103171755 SZGBHJIFRZXUNS-UHFFFAOYSA-N 309.793 3.068 50 1 DGGF COc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)c(OC)c1 653719928 SAYHJCNIEDNUPA-VGOFMYFVSA-N 309.321 3.497 50 1 DGGF C=C(C=O)[C@H]1Cc2cc([C@@H](C)OC(=O)C(C)=CC)ccc2O1 2356375811 HUQITUMVDCBAQQ-CXAGYDPISA-N 300.354 3.316 50 1 DGGF O=[N+]([O-])c1ccc2c(c1)c(O)nn2Cc1ccccc1CCl 6513892 LMSVNBPLEMOWBR-UHFFFAOYSA-N 317.732 3.437 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N=C=O)cc1)O2 587388071 VIERCGIPOPLXSJ-GOSISDBHSA-N 308.337 3.425 50 1 DGGF COc1ccc([C@@]2(CCl)NCCc3ccc(O)cc32)cc1F 963339689 APMILGWTPKMSJI-QGZVFWFLSA-N 321.779 3.168 50 1 DGGF O=C[C@@H]1C[C@](Br)(CCl)[C@@H](Cl)C[C@@H]1Cl 2356807356 WHBVVSJJTRWPEO-XAMCCFCMSA-N 308.430 3.183 50 1 DGGF CC(C)[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 58596779 IZFOABIMPBXGKM-YVRLPERASA-N 310.390 3.031 50 1 DGGF COc1cc2c3c(c1)O[C@](C)(c1ccc(N=C=O)cc1)[C@@H](C2)C3=O 587430109 RGCCLJHKZJTPOR-HNAYVOBHSA-N 321.332 3.325 50 1 DGGF O=C(NNc1ccccc1Cl)C12C3[C@H]4C=C[C@H]1[C@@H]4[C@H]1[C@H]3C=C[C@H]12 1772596757 KQPWSKBFHUATDV-AVOAJDHISA-N 324.811 3.263 50 1 DGGF CC(C)[C@]1(C(=O)O)CC[C@](C)(N=C=S)[C@H]2CC[C@](C)(O)C=C21 2356786048 YRDIFUBGWKWYME-OSMBCOQSSA-N 323.458 3.456 50 1 DGGF N#CC(/C=C1\C=Nc2ccccc21)=C1/NN=C2CCCCCN21 13122118 JJDCEMUBEFJVDC-JJWBZMIMSA-N 303.369 3.314 50 3 DGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(CCO)cc3[nH]2)cc1 587188134 OIQFUOPLXMDUSL-YBEGLDIGSA-N 303.365 3.470 50 1 DGGF Nc1ccc(-c2ccc3nc(CBr)[nH]c3c2)cc1N 586972584 XCHGKQKHRYDKOJ-UHFFFAOYSA-N 317.190 3.289 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccccc21 587388240 YXSIAVRUEIRZGJ-IBGZPJMESA-N 318.332 3.238 50 1 DGGF CCCCC[C@@H]1C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 4357425 HJUUUGDRRUIJBR-FTLAUBJRSA-N 301.434 3.419 50 3 DGGF COc1cc2c3c(c1)OC(CCCl)(CCCl)[C@@H](C2)C3=O 587420649 IHIXMRJCKDCVNW-NSHDSACASA-N 315.196 3.439 50 1 DGGF Oc1ccc2c(c1)[C@]1(CCCCC[C@@H]1Br)NCC2 963354699 YKTWPEIKQMVJIF-GJZGRUSLSA-N 310.235 3.461 50 1 DGGF COc1ccc(C(=O)NN=C(C)/C=C(\O)c2ccccc2)cc1 253995094 NDSBHADIGKLRGP-NCZPOJDWSA-N 310.353 3.400 50 1 DGGF Cc1ccc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587187107 CEYDUIFEZRPHPZ-SDQBBNPISA-N 305.297 3.239 50 1 DGGF Oc1ccc2c(c1)[C@@]1(CCCCC[C@@H]1Br)NCC2 963354701 YKTWPEIKQMVJIF-LSDHHAIUSA-N 310.235 3.461 50 1 DGGF COc1ccc(C[C@@H]2c3cc4c(cc3CCN2C)OOC4)cc1 2356401420 DKCLOLGOSJKOMC-GOSISDBHSA-N 311.381 3.291 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2c(Cl)ccnc2[nH]1 586971303 QTWOUZJPLCRVMC-QMMMGPOBSA-N 318.602 3.472 50 1 DGGF CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1 15051688 IXBCZHOTZLYJDA-XEYPJELSSA-N 316.441 3.326 50 1 DGGF biogenic CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 43397044 NLYNIRQVMRLPIQ-ZLIZXFABSA-N 312.406 3.231 50 1 DGGF N#Cc1nc(Cl)cc2nc(CCCCBr)[nH]c12 586972378 ORTAOLXSLVESDH-UHFFFAOYSA-N 313.586 3.201 50 1 DGGF CC(C)(C)c1ccc2cc(S(=O)(=O)/C=C/C#N)ccc2n1 147443721 TUTIONPXNPVRGR-ONNFQVAWSA-N 300.383 3.343 50 1 DGGF BrC/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3 586972976 DRZKYAHUPFQOIA-HNQUOIGGSA-N 309.163 3.132 50 1 DGGF COc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc1OC 653917171 HUOJGUFDAKEYCL-VGOFMYFVSA-N 309.321 3.497 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)ncc2[nH]1 586971526 TYMPYAIYGVWYRD-VIFPVBQESA-N 318.602 3.472 50 1 DGGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)ccc21 586905870 FPFOGLNFUHOILJ-UHFFFAOYSA-N 316.675 3.333 50 1 DGGF O=C(O)C12CC3C[C@@H](C1)C1(OOC4(CCCCC4)O1)[C@@H](C3)C2 102065116 MPKAXEWWXQTNLD-SQVRLQRWSA-N 308.374 3.232 50 1 DGGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=C[C@@](C)(O)CC2 2356793439 HFOHBOJAMAWSIQ-VIRABCJISA-N 315.251 3.184 50 1 DGGF Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13822347 FDFVLFGLUAPMGB-RIYZIHGNSA-N 308.337 3.260 50 1 DGGF CCOc1cc(C(C)=O)c(OCC)n1-c1ccnc(CCl)n1 587939285 DAAHGHWNJZMPDE-UHFFFAOYSA-N 323.780 3.006 50 1 DGGF COC(=O)/C=C\[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C 195114109 DCJJESZUJZLSDK-BWFAQCLASA-N 300.471 3.285 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N=C=O)c1)O2 587388179 XFYSSXVMHYKATA-SFHVURJKSA-N 308.337 3.425 50 1 DGGF CCOC(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973173 GDXVLOXKCXUPEC-ARJAWSKDSA-N 309.163 3.148 50 1 DGGF COC(=O)C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497205 HOYNXIIOPGQRHU-KRWDZBQOSA-N 322.788 3.071 50 1 DGGF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1Cl 2356756151 ZICJORPFSCDDLW-LSDHHAIUSA-N 322.744 3.176 50 1 DGGF C[C@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1 38145324 JMLAZZUEKJNGGR-QRAHRUOTSA-N 311.410 3.265 50 1 DGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Cl 40412173 HMDAMCMNIKFROK-LCWDIZFYSA-N 303.761 3.309 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2ccc(Cl)nc2[nH]1 586970864 LAOVHMWZOUYBDW-QMMMGPOBSA-N 318.602 3.472 50 1 DGGF C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1CC=C(C)C=O 2356333916 XMGQNBFCAUFSGC-ZRSRNVLSSA-N 306.446 3.264 50 1 DGGF C[C@H](c1ccc(CBr)cc1)c1nc2ncc[nH]c-2n1 586973851 PBFANAVJKCFDDD-SECBINFHSA-N 317.190 3.351 50 1 DGGF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCl 27195552 RESNWEMOYNPNCB-UHFFFAOYSA-N 309.752 3.452 50 1 DGGF O=C(OCc1c(F)c(F)c(F)c(F)c1F)C(Cl)Cl 221080028 QYIIJUZQTRLYJB-UHFFFAOYSA-N 309.017 3.229 50 1 DGGF Cn1cccc1-c1nc2cc(NC(=O)CCCl)ccc2[nH]1 72112154 UKUQWAWURXYDGE-UHFFFAOYSA-N 302.765 3.136 50 1 DGGF C[C@]1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1 49694400 YPYOVOMTRUTQLX-KRWDZBQOSA-N 318.417 3.089 50 1 DGGF C/C(C=O)=C\C=C\[C@]1(C)[C@H]2CC[C@@H]3CCC=C(C=O)[C@@H]([C@@H]23)[C@H]1O 205651279 RDJFOFSFIUZPEW-CPGATAFLSA-N 314.425 3.246 50 1 DGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 587188463 TVYFROPOYMRWBG-ZSOIEALJSA-N 301.353 3.220 50 1 DGGF Cc1c(C(=O)N/N=C\c2cccs2)oc2cccc(O)c12 1911572109 MOBUAEOYOIHMJB-PXNMLYILSA-N 300.339 3.272 50 1 DGGF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1Cl 85646387 ZICJORPFSCDDLW-CABCVRRESA-N 322.744 3.176 50 1 DGGF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C(Cl)Cl)O2 587372381 KVCNRDOSQFKBGV-GFCCVEGCSA-N 308.592 3.324 50 1 DGGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@H](O)C1)CCN2C 2356419245 LGSDYQBPJKYJCT-MDASCCDHSA-N 324.424 3.216 50 1 DGGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=C[C@@](C)(O)CC2 2356793433 HFOHBOJAMAWSIQ-DDHJSBNISA-N 315.251 3.184 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2ccc(CCO)cc2[nH]1 587086698 GVHSQPFCWZEFJC-LLVKDONJSA-N 315.186 3.282 50 1 DGGF COc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 587086953 JXRVMWZFROSJTA-MRVPVSSYSA-N 302.147 3.151 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587187264 FPDGOVRFZVZVGF-IZZDOVSWSA-N 307.284 3.464 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587187265 FPDGOVRFZVZVGF-WDZFZDKYSA-N 307.284 3.464 50 1 DGGF O=P1(c2ccccc2)c2ccccc2CCc2ccccc21 73312259 GBBBNSRLICSQNJ-UHFFFAOYSA-N 304.329 3.425 50 1 DGGF C=C1CC[C@@H]([C@H]2CC(=O)OC2=O)C(=O)CC[C@@H]2[C@@H]1CC2(C)C 169299102 HIFLEGNWVFLGLY-REWJHTLYSA-N 304.386 3.054 50 1 DGGF BrC/C=C\c1nc2c(Br)ccnc2[nH]1 586972035 CHDUSWWRCOMLAE-UPHRSURJSA-N 316.984 3.129 50 1 DGGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/CO 195293215 FUZVJZAFFCHVCX-MPKNTLMZSA-N 302.487 3.077 50 1 DGGF CC(=O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103105620 CHQHVJOKKYKNEA-XFDPMVESSA-N 324.417 3.216 50 1 DGGF Cc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 587940081 LBKKUYNLGUJTHB-UHFFFAOYSA-N 315.760 3.393 50 1 DGGF Cc1c(O)ccc2c1[C@H](CCCCCCl)N[C@H](C(=O)O)C2 963511062 SMFAMPOYOXAEFP-STQMWFEESA-N 311.809 3.140 50 1 DGGF C[C@H]1O[C@]23C[C@@H](c4cccc(Cl)c4)OC(=O)C2=C[C@@]1(C)OO3 96934009 MPXHCBQQKJKLBF-XXIOGYHUSA-N 322.744 3.090 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CC1CC1)O2 587376948 ZDWSIHFYTPUUFY-OAHLLOKOSA-N 324.218 3.476 50 1 DGGF C=C1CC[C@H]([C@@H]2CC(=O)OC2=O)C(=O)CC[C@H]2[C@@H]1CC2(C)C 15449183 HIFLEGNWVFLGLY-RQJABVFESA-N 304.386 3.054 50 3 DGGF biogenic,in-vitro CC[C@]1(CCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O 103184054 RTWXEKVBUSNILF-MEBBXXQBSA-N 324.833 3.291 50 1 DGGF C#CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 103171156 ROUKGWWWPOVOGG-UHFFFAOYSA-N 305.805 3.155 50 1 DGGF CCO[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169367629 NLYNIRQVMRLPIQ-GPPZPITQSA-N 312.406 3.231 50 1 DGGF CC(C)C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 299810441 XGVPEEHFWWRAFG-YDXRFITGSA-N 324.417 3.421 50 1 DGGF C/C(=N/O[P@](N)(=O)NCCC(Cl)Cl)c1ccccc1 100804705 VLZBDTJDZVKNOU-QHVUTBCBSA-N 324.148 3.277 50 1 DGGF O=C(O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 72116544 QLBXWPYRCIWKCQ-UHFFFAOYSA-N 324.373 3.020 50 1 DGGF C[C@@]12CC[C@@]3(Cc4ccc([N+](=O)[O-])cc4)[C@](C)(OO[C@@]3(C)O1)O2 254092432 IJSQPDMZBGXICI-RUPPMWDTSA-N 321.329 3.075 50 1 DGGF O=C(/N=C1\SSC2=NCCN21)c1cc2ccccc2s1 34052776 YQJBRORHPUFQNX-SQFISAMPSA-N 319.436 3.464 50 1 DGGF C[C@H](NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl 6437414 RKOCMFNSTIPQKR-VIFPVBQESA-N 310.184 3.384 50 1 DGGF CCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154221 GXTFLBQXIFXEJI-ZDUSSCGKSA-N 307.887 3.393 50 1 DGGF C[C@H](CCl)n1c(=O)c2ccccc2n1C(=O)c1ccccc1 95568961 MZFMSKZYCHLODW-GFCCVEGCSA-N 314.772 3.291 50 3 DGGF Nc1cc(-c2ccccc2)sc1C(=O)NN=Cc1cccnc1 958021767 LMTXJICFHQXEIH-UHFFFAOYSA-N 322.393 3.156 50 1 DGGF COc1cc2c3c(c1)O[C@](CCl)(c1cscn1)[C@@H](C2)C3=O 587453043 OYYDXBSLKMNJFI-BONVTDFDSA-N 321.785 3.033 50 1 DGGF CCOC(=O)[C@@]1(CCCCCCl)NCCc2c(C)ccnc21 963094751 ZNEPCGASHJAXKA-KRWDZBQOSA-N 324.852 3.093 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 587086564 DKDRCXJAVNEYBS-SECBINFHSA-N 315.142 3.445 50 1 DGGF CCn1ncc(/C=N\NC(=O)c2csc3ccccc23)c1C 13111510 TWVYSMOHNATQJB-IUXPMGMMSA-N 312.398 3.190 50 3 DGGF CN1Cc2c(NC(=O)CCl)cccc2[C@@H](c2ccccc2)C1 28218800 HFWWQPIOOARJEJ-OAHLLOKOSA-N 314.816 3.441 50 1 DGGF CC1(C)[C@H]2CC=C(/C=N\NC(=O)CCCCCC(=O)O)[C@@H]1C2 95808595 BNIBVFHELCEFBN-HCQLAHMTSA-N 306.406 3.116 50 1 DGGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371198 NLYNIRQVMRLPIQ-UQVLRELKSA-N 312.406 3.231 50 1 DGGF CN(C)CCSSCCCNC(=O)C1CCCCC1 618009821 KULWYYPVHUAENN-UHFFFAOYSA-N 304.525 3.016 50 1 DGGF CSc1ccc(/C=N/NC(=O)c2cccc(C)c2O)s1 13442482 NDDVXEQYZNFRGJ-OVCLIPMQSA-N 306.412 3.248 50 1 DGGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)ccc21 586907555 MNEMRKIINJEHJW-UHFFFAOYSA-N 316.675 3.333 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](Br)C(C)C)O2 587375126 RCQKLKCIRAFYGN-STQMWFEESA-N 312.207 3.331 50 1 DGGF C[C@@H]1O[C@]23C[C@H](c4cccc(Cl)c4)OC(=O)C2=C[C@@]1(C)OO3 96934012 MPXHCBQQKJKLBF-CIGJXOAISA-N 322.744 3.090 50 1 DGGF COC(=O)c1cccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587187443 HBKFXGCIPVDWQP-JLHYYAGUSA-N 303.321 3.414 50 1 DGGF CCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103200329 JLYUTVWRSSYYKV-MQPUTAGESA-N 310.390 3.175 50 1 DGGF O=C1OC(=O)c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)ccc21 586905759 BCBMFRSZOLTDJB-UHFFFAOYSA-N 318.332 3.419 50 1 DGGF N[C@H](CCl)c1nc2cccc(OCc3ccccc3)c2[nH]1 587009602 AGFDPADOOQZEDO-GFCCVEGCSA-N 301.777 3.381 50 1 DGGF CCOC(=O)[C@H](Cl)[C@]1(CC)NCCc2ccc(F)c(C)c21 962304250 ZJESQPYLTNMQRQ-GOEBONIOSA-N 313.800 3.056 50 1 DGGF Cc1ccc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)s1 963122448 NDIPRMXDQBRVDV-MRXNPFEDSA-N 321.829 3.383 50 1 DGGF O=C1c2nc3cccc4c3c(c2CC[C@@H]1Br)CC4 587209191 JDSVKULMJCEKPG-NSHDSACASA-N 302.171 3.226 50 1 DGGF O=C(OCC1=CC=C(COC(=O)C2CC2)SS1)C1CC1 19674 QCFJGBMAXAVITL-UHFFFAOYSA-N 312.412 3.056 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2ccc(CO)cc2[nH]1 587087403 PTVKFMYCULLCQR-JTQLQIEISA-N 301.159 3.239 50 1 DGGF CCOC(=O)c1c(CBr)[nH]c2cc(F)ccc12 587632966 TXQFWXDCGJZBIT-UHFFFAOYSA-N 300.127 3.379 50 1 DGGF COc1cccc(/C=N\NC(=O)c2ccc3ncccc3c2)c1 1857551024 LMZQSIIZKHEERO-NDENLUEZSA-N 305.337 3.007 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCCl)nc1C)O2 587376744 TTYMZTMYXBZNLO-OAHLLOKOSA-N 319.792 3.027 50 1 DGGF N#C/C(C(=O)Nc1ccc(OC(F)(F)F)cc1)=C(/O)C1CC1 39159542 QIJLCATZCFZWKU-QXMHVHEDSA-N 312.247 3.269 50 1 DGGF O=C(NCCCl)Nc1ncccc1OCc1ccccc1 207018682 CGYNDWOFCNJLJS-UHFFFAOYSA-N 305.765 3.021 50 1 DGGF COc1cc(OC)cc(/C(=C\C#N)c2ccc(OC)c(O)c2)c1 66032586 SZYHCNMVWARITA-SOFYXZRVSA-N 311.337 3.373 50 1 DGGF Fc1cnc(Br)c2[nH]c([C@H](Cl)CCl)nc12 587008362 OHFIGOICXCLJBD-GSVOUGTGSA-N 312.957 3.378 50 1 DGGF N#C/C(C(=O)Nc1ccc(Br)cc1)=C(/O)C1CC1 100784904 HNHLIPRCJMBPEN-QXMHVHEDSA-N 307.147 3.133 50 1 DGGF COc1ccc(Cl)cc1C#C/C(C=O)=C/Nc1nccs1 587921044 SUKRSBLYETWTMR-LUAWRHEFSA-N 318.785 3.352 50 1 DGGF Cc1nc2ccccc2nc1CCC(=O)N/N=C/c1ccccc1 1857770168 XGWRJMNMTLTSBW-DEDYPNTBSA-N 318.380 3.021 50 1 DGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](S)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103105744 VOTLOEJUXDANOC-CMDXXVQNSA-N 300.420 3.124 50 1 DGGF C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](O)C1)CCN2C 32303216 LGSDYQBPJKYJCT-YTLNUPAMSA-N 324.424 3.216 50 1 DGGF C[C@H]1CC[C@@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@@H]2C1 4162308 ZZEHRNOHYOWJJX-LEWSCRJBSA-N 300.383 3.185 50 1 DGGF CCCCCCCCCCCCOc1ccc(B(O)O)cn1 197157050 NDHBFHJOJKBHNO-UHFFFAOYSA-N 307.243 3.061 50 1 DGGF C=CCOCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@@]12[C@@H](OC)O3 43328111 IUJFBNVQQBEODJ-DRRXZNNHSA-N 312.406 3.195 50 1 DGGF Cc1ccc(N=Nc2c(N)nn3c(=O)cc(CCl)[nH]c23)cc1 957584900 NRDKFUNVYURESM-UHFFFAOYSA-N 316.752 3.067 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@H]1O 2356579022 OHHPIXHKUDAQAW-XGUBFFRZSA-N 313.235 3.204 50 1 DGGF CC(C)C[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 58623577 GUHUDXCGXKVGKM-LMSAACSQSA-N 310.390 3.175 50 1 DGGF BrC/C=C\c1nc2cc(Br)ncc2[nH]1 586972326 MJCFUNGUJWTTLQ-UPHRSURJSA-N 316.984 3.129 50 1 DGGF CC1(C)[C@@H](Br)[C@@H](O)CC2=C[C@]3(C)CC[C@]21CC3=O 2356635121 SFFSPNSTMBIYDQ-LVGORTOPSA-N 313.235 3.226 50 1 DGGF COC(=O)/C(=C/c1ccc(Br)cc1)CSC#N 95561671 IUBJOMLGYGIZQW-UXBLZVDNSA-N 312.188 3.220 50 1 DGGF COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(N)c2)c1 1857623381 BMRJSQBKBWMUHY-UHFFFAOYSA-N 310.353 3.250 50 1 DGGF C#CC=CC[C@H](O)[C@@H]1CC=CC[C@H](Br)[C@H](CC)O1 2356313066 RXIQGLNKHUBBCS-AJNGGQMLSA-N 313.235 3.204 50 1 DGGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)Nc1ccc2ccccc2c1 38317274 IZKAUCYPFAUDLY-LICLKQGHSA-N 324.296 3.497 50 1 DGGF C=CCOC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103187421 LOVQCYAEOLPIBZ-QQNKPZKVSA-N 324.417 3.194 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)noc1C)O2 587374635 ZAPCJDQSDQEQAC-INIZCTEOSA-N 320.776 3.282 50 1 DGGF CC(=O)Oc1ccccc1C(=O)Oc1ccc(C)cc1/C=C/C=O 1857767560 ZOESMDHJVQODOP-AATRIKPKSA-N 324.332 3.352 50 1 DGGF Cc1onc(-c2ccccc2)c1C(=O)N/N=C\c1cccc(O)c1 33307800 MTTWRIJLHOPIEN-ODLFYWEKSA-N 321.336 3.120 50 1 DGGF CSSc1ccc2c(c1)N(S(C)(=O)=O)C[C@H]2CCl 26665044 XIWUVYQCEXVVHB-MRVPVSSYSA-N 323.892 3.159 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)[C@H]1C[C@@H]1c1ccccc1 13125164 BLUROKUAOUNBOI-KSUAYFRJSA-N 303.365 3.168 50 3 DGGF O=C1OC(=O)c2cc(-c3nc4ccc5ncccc5c4[nH]3)ccc21 586906807 RHRLSVBCNOBZOG-UHFFFAOYSA-N 315.288 3.089 50 1 DGGF COc1cc2nc(CCCCBr)[nH]c2cc1OC 586972173 JNCCVOGZHQQJAW-UHFFFAOYSA-N 313.195 3.298 50 1 DGGF Cc1ccc([C@H]2Oc3ccc(C=CC=O)cc3O[C@H]2CO)cc1C 2356409784 SKOCITCMQXEGPF-VQTJNVASSA-N 324.376 3.389 50 1 DGGF CO[C@@H]1O[C@]2(c3ccc(CO)cc3)CC[C@H]3CCCC[C@@]31OO2 38153512 QMZOQOSGPNSVQT-VDHUWJSZSA-N 320.385 3.005 50 1 DGGF Cc1ccc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587187114 CEYDUIFEZRPHPZ-WUXMJOGZSA-N 305.297 3.239 50 1 DGGF C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544203 NCNVUDCDMOGIIQ-BBRMVZONSA-N 304.729 3.351 50 1 DGGF Cc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586168 KBYMICZYRPSGOH-GOSISDBHSA-N 305.381 3.279 50 1 DGGF O=[N+]([O-])c1cccc(Cc2nnc(SCCCCl)o2)c1 82155227 QWHSDFFMSUKVKJ-UHFFFAOYSA-N 313.766 3.290 50 1 DGGF O=C(NN/C=C1\C=Nc2ccccc21)c1cc2ccccc2o1 13382103 NOMMMSVBWIHBLB-ACCUITESSA-N 303.321 3.424 50 3 DGGF CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@]2(C)[C@H](O)C1 13484426 IXBCZHOTZLYJDA-ONCXSQPRSA-N 316.441 3.326 50 1 DGGF biogenic C=C1C[C@@](CBr)(c2ccc(Cl)cc2)OC1=O 1911575629 VPULZEFUFCPHQH-GFCCVEGCSA-N 301.567 3.433 50 1 DGGF CCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 43910592 XFTZRYWZWBRIHH-QVGWGDDASA-N 323.433 3.234 50 1 DGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cncnc2[nH]1 586974800 ZYJPJVMUCARYEE-VIFPVBQESA-N 317.190 3.400 50 1 DGGF C#C/C=C/C[C@H]1O[C@@H]([C@H](Br)C/C=C/CC)C[C@H]1O 36415645 RMJPNJYVWXJAHL-ZZBMQANISA-N 313.235 3.204 50 1 DGGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43N=C=O)[C@H]1CCC2=O 253663197 FLWQFCHCLDKUEJ-LLLOQXOTSA-N 313.397 3.156 50 1 DGGF CC(C)C[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 195340973 GUHUDXCGXKVGKM-AMSSUQTNSA-N 310.390 3.175 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169371336 HBOOSNCGKATHOD-CJYKZEBRSA-N 322.401 3.341 50 1 DGGF COC(C)(C)[C@@H](Br)c1nc2ccc(C#N)cc2[nH]1 586970769 GHABCQNZZBGPJM-NSHDSACASA-N 308.179 3.296 50 1 DGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@@H]3CCC(=O)C[C@H]3CC[C@@]12C 2356339722 VOQNECNRNGXENR-NVQRDWNXSA-N 300.398 3.433 50 1 DGGF C=C1C[C@@]2(C=O)C[C@H]1CC[C@@H]2[C@@H]1CCC[C@]2(C)C(=O)OC(=O)[C@@H]12 2356616815 HBAOEKDIZSJEOC-QBXQWZBTSA-N 316.397 3.054 50 1 DGGF O=C[C@@H]1C[C@](Br)(CCl)[C@H](Cl)C[C@H]1Cl 2356807355 WHBVVSJJTRWPEO-OSMVPFSASA-N 308.430 3.183 50 1 DGGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 28526654 UUSCUXHRDNUKCP-LICLKQGHSA-N 312.329 3.367 50 1 DGGF C/C(C#N)=C\C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587876926 QJMJIMKFORHIFA-NYYWCZLTSA-N 307.180 3.125 50 1 DGGF N[C@H](CCl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587009851 CBUUXPMOCFWCAN-RXMQYKEDSA-N 314.094 3.354 50 1 DGGF COc1ccc([C@H]2NCCc3ccc(O)cc32)cc1CCl 963343367 UTPDLSKAPLGNHK-QGZVFWFLSA-N 303.789 3.375 50 1 DGGF CS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587187036 CMRYAIIWPLXEKJ-LCYFTJDESA-N 323.377 3.031 50 1 DGGF Cc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586170 KBYMICZYRPSGOH-SFHVURJKSA-N 305.381 3.279 50 1 DGGF Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1Br 39159546 ZNXVNCRTUGFDGC-QBFSEMIESA-N 321.174 3.442 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587188229 ONPSCJRFNLLESF-IZZDOVSWSA-N 307.284 3.464 50 1 DGGF CC(=O)O[C@@H]1OC=C[C@]12CC1=C[C@@](C)(OO)CC[C@H]1C2(C)C 49881539 BSFICGFQJWDMBX-OHFALNGGSA-N 308.374 3.421 50 1 DGGF C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CC=C(C)C=O 2356333915 XMGQNBFCAUFSGC-QTMHVTGLSA-N 306.446 3.264 50 1 DGGF N#C/C(=C\c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587188563 SZYATPSLRPJRGX-OIQJVACTSA-N 303.325 3.351 50 1 DGGF N[C@H](CCl)c1nc2cc(Br)cc(Cl)c2[nH]1 587011431 RZHJIBFOMFERAY-ZCFIWIBFSA-N 308.994 3.217 50 1 DGGF O=C(N/N=C(\c1ccccc1)c1ccccn1)NC1CCCCC1 1651577 KCJGZAKCBNMUIK-RELWKKBWSA-N 322.412 3.466 50 1 DGGF CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2cccc(Cl)c2)c1C 72176155 SPACZDAUDHCCOG-QGMBQPNBSA-N 317.776 3.251 50 1 DGGF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Br)nc2c1 587009215 XOFSSRMZJOCZEU-YFKPBYRVSA-N 317.570 3.459 50 1 DGGF CS(=O)(=O)c1ccc2[nH]c(CCCl)c(CCl)c2c1 587648686 FUKXRWGUTLBOFW-UHFFFAOYSA-N 306.214 3.092 50 1 DGGF Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 169336533 BYTZJWJKHQONQU-UHFFFAOYSA-N 302.242 3.031 50 1 DGGF CC/C(=C/c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccc(C)cc1 587969227 ZSLRISNNCKSNPL-QBFSEMIESA-N 320.396 3.425 50 1 DGGF C=C(C#CC1=C[C@@H](OOC)C[C@@H](OC)C1=O)CCC=C(C)C 2356698471 XHHGBUIERAPGDO-IAGOWNOFSA-N 304.386 3.153 50 1 DGGF ClC1=CC[C@H](Br)C=C1OC[C@H]1CCCNC1 29040426 YIJRFRHDRVWTHI-UWVGGRQHSA-N 306.631 3.176 50 1 DGGF COc1cccc2c1C(=O)c1c(OC)cc(CCl)cc1C2=O 95586886 YSLHFKMHVAXPSY-UHFFFAOYSA-N 316.740 3.218 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2ccc(Cl)nc2[nH]1 586970863 LAOVHMWZOUYBDW-MRVPVSSYSA-N 318.602 3.472 50 1 DGGF O=C(CBr)NCCc1csc2ccc(F)cc12 89456455 CEVGSZGZQXJLHO-UHFFFAOYSA-N 316.195 3.094 50 1 DGGF COc1ccc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc1N 13780620 SVSBDCGJVYLKHL-ZSOIEALJSA-N 310.353 3.359 50 1 DGGF N#CC1=C(N)OC2=C(C(=O)CC2)[C@H]1c1ccc(Cl)cc1Cl 653834585 ZXZCRFRUMQOBIP-ZDUSSCGKSA-N 321.163 3.418 50 1 DGGF CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1 3527342 IJSKHCCLVBHONA-YBFXNURJSA-N 312.369 3.159 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2cc3ccccc3cc2[nH]1 587009438 FTBUBXZUIXTYEI-UHFFFAOYSA-N 301.777 3.306 50 1 DGGF N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)Oc1ccccc1 1857576292 CWOXRHRQESBIRY-VCXFDYNHSA-N 319.316 3.484 50 1 DGGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N=C=O)cc1)[C@@H](C2)C3=O 587430112 RGCCLJHKZJTPOR-KXBFYZLASA-N 321.332 3.325 50 1 DGGF O=C(C/C=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1 169693756 IJYKSUSXJVWAJH-WOJGMQOQSA-N 300.745 3.329 50 1 DGGF O=C(N/N=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1644520 HADIVCVQIQBUPF-CGOBSMCZSA-N 314.213 3.146 50 1 DGGF CCCCC[C@H]1C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 3150732 HJUUUGDRRUIJBR-PZBJVBIWSA-N 301.434 3.419 50 3 DGGF O=C1C(=NCc2ccccc2)[C@H](Cl)C(=O)C(Cl)=C1Cl 2356840499 MRSZCEJYXJWHIC-JTQLQIEISA-N 316.571 3.076 50 1 DGGF N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(F)c1)CCN3 1857774605 JKKKLPHBQRZKGF-KRWDZBQOSA-N 307.328 3.012 50 1 DGGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@H]1Cl 587461888 NUDXTQUAJDCLSQ-USXIJHARSA-N 324.804 3.465 50 1 DGGF C#C[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 71330529 RASDWYJNDPRICG-RYGJVYDSSA-N 307.393 3.370 50 1 DGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@H]1Cl 253664895 HMDAMCMNIKFROK-XBURVNOZSA-N 303.761 3.309 50 1 DGGF COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(O)c2)c1 1857623394 SZYHCNMVWARITA-UHFFFAOYSA-N 311.337 3.373 50 1 DGGF C[C@H]1CC[C@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@@H]2C1 102082923 ZZEHRNOHYOWJJX-ZLKJLUDKSA-N 300.383 3.185 50 1 DGGF CO[C@@]1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C(C)(C)C1 1857563094 DFYZORBOTKVKRC-HNNXBMFYSA-N 324.302 3.391 50 1 DGGF N[C@H](N=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972133 HNVZJWNGZSRQJG-GFCCVEGCSA-N 311.183 3.004 50 1 DGGF C=C[C@@](O)(CBr)CC[C@H](Br)C(=C)C 1638712 MAIAZZXAWULVPY-UWVGGRQHSA-N 312.045 3.418 50 1 DGGF CC=C(C)C(=O)OC[C@]1(C)[C@H]2CC=C(C=O)[C@@]3(C2)C(=O)CC[C@@H]31 2356564317 YUKYBBOQNUTDCI-LLBUTXAOSA-N 316.397 3.017 50 1 DGGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(CCCl)c2c1 587649263 OKHGEDOLAJFLBA-UHFFFAOYSA-N 306.214 3.092 50 1 DGGF CCOc1ccc(NC(=O)N/N=C(\C)c2ccc(O)cc2)cc1 103198207 PTDKQJYYBKBBIF-XDHOZWIPSA-N 313.357 3.337 50 1 DGGF COc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1O 216487999 FMPWRPGVPVLEIZ-RIYZIHGNSA-N 311.337 3.482 50 1 DGGF CCCCCCCSC(=S)NNC(=O)c1ccccn1 169335735 BVHCFPDBQKRQIE-UHFFFAOYSA-N 311.476 3.305 50 1 DGGF Cc1nc(C)c(C(=O)N/N=C/c2cn(C)c3ccccc23)s1 5174045 YTWOYUBYBXRCBO-CAOOACKPSA-N 312.398 3.016 50 3 DGGF CCC[C@@H]1O[C@@]2(c3ccccc3)OO[C@]1(CC)C=C2C(=O)OC 96934002 LHNOPSZNODKVRK-JQHSSLGASA-N 318.369 3.248 50 1 DGGF COc1ccc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc1O 31934923 FMPWRPGVPVLEIZ-ZSOIEALJSA-N 311.337 3.482 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 587086565 DKDRCXJAVNEYBS-VIFPVBQESA-N 315.142 3.445 50 1 DGGF CO[C@]12CC(C)=CCC[C@@H](C)C(=O)[C@@H](Cl)C1=C(C)C(=O)O2 2356321709 MGRCBCNJMNFAOW-HICWGWBUSA-N 312.793 3.145 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 587087295 ODVMDAKNFYVJQW-LLVKDONJSA-N 321.153 3.490 50 1 DGGF COc1cc2c3c(c1)O[C@@](CCl)(CCCl)[C@@H](C2)C3=O 587421359 LEOTXIUSEIFTAG-IINYFYTJSA-N 301.169 3.049 50 1 DGGF C[N+](C)(C)c1ccc(NC(=O)CCSCCCl)cc1 1559211 QGGHLOCEGSWSFZ-UHFFFAOYSA-O 301.863 3.184 50 1 DGGF CN1C(=O)C[C@@H]2CN[C@]3(CCCC[C@@H]3Cl)c3cccc1c32 963034086 QJMUCGMHXKJURF-HYSWKAIVSA-N 304.821 3.117 50 1 DGGF CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1cccc3ncccc13)C(=O)C2 40977056 SVABMINDJHTGJR-BLVKFPJESA-N 323.396 3.073 50 1 DGGF C[C@@H](NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl 1856523 RKOCMFNSTIPQKR-SECBINFHSA-N 310.184 3.384 50 1 DGGF C/C(C#N)=C/C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587876928 QJMJIMKFORHIFA-WCIBSUBMSA-N 307.180 3.125 50 1 DGGF CC(C)CN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 169339376 AZHCFVWAMHCBIV-AZRLUXNOSA-N 323.433 3.090 50 1 DGGF C=C[C@](O)(CBr)CC[C@H](Br)C(=C)C 1638710 MAIAZZXAWULVPY-VHSXEESVSA-N 312.045 3.418 50 1 DGGF O=C(N/N=C\[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Cl 8565055 KODRVOVCHSSWKW-XBTXGSBDSA-N 307.737 3.320 50 1 DGGF C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/C(=O)OCC 195514718 SORUWOFRPURMIT-CJVQNTMISA-N 314.498 3.433 50 1 DGGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587009783 SDMFTVHSZAMDKQ-UHFFFAOYSA-N 320.607 3.460 50 1 DGGF COc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)ccc1O 13864053 XHALGCGPVIDYCD-YBFXNURJSA-N 312.369 3.288 50 1 DGGF CCCCC(=O)N/N=C(\C)c1cccc(NC(=O)C2CC2)c1 6039574 BKMIDWLXVPBRTF-XDHOZWIPSA-N 301.390 3.066 50 3 DGGF COc1nccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587087898 YJCRGYNCBPUXAO-MRVPVSSYSA-N 302.147 3.151 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cnc(Cl)[nH]c-2n1 587087570 RPDUSWFNAMPNQS-RXMQYKEDSA-N 307.554 3.142 50 1 DGGF C/C=C\C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320146 HBOOSNCGKATHOD-PUHTXPKGSA-N 322.401 3.341 50 1 DGGF N#C/C(=C/c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587188231 ONPSCJRFNLLESF-WDZFZDKYSA-N 307.284 3.464 50 1 DGGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](C)(c3ccc(O)cc3)C2)cc1 224559242 NMVKNIUJZMKQBH-HXUWFJFHSA-N 318.376 3.413 50 1 DGGF Cc1nc2[nH]c([C@H](C)Br)nc2cc1Br 587007619 BLISWWOXFZKBBY-BYPYZUCNSA-N 319.000 3.485 50 1 DGGF C=C[C@]1(O)CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477801 NGSWIYLSYSURLO-PBNGXKPNSA-N 306.402 3.305 50 1 DGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCCCC[C@@H]2Cl)N1 962905121 YGPSEQDLJYLFTJ-OFQRWUPVSA-N 311.784 3.191 50 1 DGGF C#CC=CC[C@H](O)[C@@H]1CC=CC[C@@H](Br)[C@@H](CC)O1 2356313068 RXIQGLNKHUBBCS-BARDWOONSA-N 313.235 3.204 50 1 DGGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CC[C@@]3(C)O[C@@H](O)[C@@]12O3 2356760753 LJLZJJKLXWEJAB-KXKVQDCLSA-N 311.447 3.144 50 1 DGGF COc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@@H]2C)cc1 1772627215 SHCMXRCKEDIACI-HMHKGCENSA-N 322.364 3.275 50 1 DGGF CC(C)[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@]1(C)[C@@]24OO3 299819576 IGAOPVGKHRNSAY-QOCXKILHSA-N 324.417 3.421 50 1 DGGF Oc1nc(O)c2cc(CCCl)c(-c3ccc(F)cc3)nc2n1 587370855 YGGDGLMPKDJOSI-UHFFFAOYSA-N 319.723 3.023 50 1 DGGF C=C(C)[C@@H](O)[C@@H]1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]12 140117143 CLUMRIQLNFWQES-XDSHMYFISA-N 317.267 3.264 50 1 DGGF COc1ccc2[nH]c(SC/C(O)=C(/C#N)C(C)=N)nc2c1 101705173 QLGZTHMSMCIUET-HHFDYIAXSA-N 302.359 3.039 50 1 DGGF CC1(C)C=C(/C=C/Br)[C@H](O)C[C@@H]1Br 139769490 DPDAVBNPZDMGLL-BKIAHZASSA-N 310.029 3.376 50 1 DGGF CCc1ccc(/C=C(C#N)/C=C2\SC(=S)NC2=O)cc1 103229592 YOWBMLPXTJKKBF-AJDRMPRJSA-N 300.408 3.188 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1Br)O2 587371918 IAKKWVBFANHDJW-TZMCWYRMSA-N 310.191 3.229 50 1 DGGF C[C@@H](NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 1856522 LDQXQZDEPQBVDL-SECBINFHSA-N 310.184 3.384 50 1 DGGF C[C@@H]1CC[C@H](C(=O)N(Nc2ccccc2)c2ccccc2)C(=O)O1 238766988 HBXSLAVGMQGYJX-RHSMWYFYSA-N 324.380 3.388 50 1 DGGF CC(=O)CCC1(Cc2ccc(C)cc2)C2(C)OOC1(C)OO2 223803077 NOZNOOXYWROUEM-UHFFFAOYSA-N 306.358 3.249 50 1 DGGF CN(C)CCOc1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008940 SKDDBVMCXYUBIY-JTQLQIEISA-N 302.205 3.022 50 1 DGGF CCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873349 PRFWNEUDVAPLPY-MHWRWJLKSA-N 317.370 3.373 50 1 DGGF C[C@H]1CC[C@H](C(=O)N(Nc2ccccc2)c2ccccc2)C(=O)O1 504374330 HBXSLAVGMQGYJX-WMLDXEAASA-N 324.380 3.388 50 1 DGGF biogenic CC(C)[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169364423 IZFOABIMPBXGKM-RTXDRFAKSA-N 310.390 3.031 50 1 DGGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 28525817 AVTOUIIVXRWHNX-LICLKQGHSA-N 312.329 3.367 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@H](C)Br)O2 587373730 NIZPDEVHVWGYKV-BJOHPYRUSA-N 324.218 3.475 50 1 DGGF CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=CC=C(C=O)C[C@@H]3O)[C@H]12 14497139 XCQLNGDKZRFYGX-FFGOWVMKSA-N 314.425 3.390 50 1 DGGF biogenic CC(C)(F)[C@@H](Br)c1nc2ccc(CCO)cc2[nH]1 587086701 GVHSQPFCWZEFJC-NSHDSACASA-N 315.186 3.282 50 1 DGGF CC(C=O)=CC=C[C@@]1(C)[C@H]2CC[C@H]3CCC=C(C=O)[C@H]([C@H]32)[C@H]1O 2356538096 RDJFOFSFIUZPEW-BGTOTAHLSA-N 314.425 3.246 50 1 DGGF CONCCCc1ccc(N(CCCl)CCCl)cc1 64448050 DLMBUVBKWRMPPT-UHFFFAOYSA-N 305.249 3.054 50 1 DGGF C=C1C[C@H](OC(C)=O)C=C(C)CC[C@H](C(C)C)[C@H](O)[C@@H]1OO 2356616492 YOWABXYMBGIQEY-WCXIOVBPSA-N 312.406 3.096 50 1 DGGF N#CSCCOc1ccc([S@](=O)c2ccccc2)cc1 27310957 XOMCXSLXUWBNQB-FQEVSTJZSA-N 303.408 3.446 50 1 DGGF N#C/C(=C/c1ccc(O)c(O)c1)C(=O)Nc1ccccc1Cl 38140609 NJPHTBIXEKQNKZ-XFFZJAGNSA-N 314.728 3.297 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 587087851 WSVKBFZHKPCRGK-QMMMGPOBSA-N 317.118 3.050 50 1 DGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@@H]3CCC(=O)C[C@H]3CC[C@]12C 2356339724 VOQNECNRNGXENR-ZIGSKRJUSA-N 300.398 3.433 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1O 2356579021 OHHPIXHKUDAQAW-QPSCCSFWSA-N 313.235 3.204 50 1 DGGF Fc1cnc(Br)c2[nH]c([C@@H](Cl)CCl)nc12 587008393 OHFIGOICXCLJBD-VKHMYHEASA-N 312.957 3.378 50 1 DGGF O=C(CCl)Nc1ccc(N(CCCl)CCCl)cc1 1558027 ADSXPFDEODWMAJ-UHFFFAOYSA-N 309.624 3.148 50 1 DGGF C[C@H](Br)c1nc2ccc(Br)nc2[nH]1 587009202 WXDJKYJTIFXYNF-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF C/C=C1/C[N@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 253918687 ZEMNDQUOMWGCAZ-DFFXQHKMSA-O 307.417 3.002 50 3 DGGF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCl)[nH]c21 95587937 XZRMIKBJOAHKIL-UHFFFAOYSA-N 310.740 3.120 50 1 DGGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@@H](OC(C)=O)[C@H](/C=C\C=C\C)O1 238782007 YXOOXRMKKQERSU-DOBBUTPTSA-N 308.805 3.395 50 1 DGGF Cc1cc(NC(=O)CCSSCCN(C)C)ccc1F 618008036 WXILISHLNUZLEK-UHFFFAOYSA-N 316.467 3.406 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2ccnc(Cl)c2[nH]1 586970315 CXOUVAUGQJTWCM-MRVPVSSYSA-N 318.602 3.472 50 1 DGGF CC(C)C1=C2[C@@H]3C[C@H](O)C(C=O)=CC(=O)[C@@]3(C)CC[C@@]2(C)C=C1 14497118 DGSOCCFUSLXQIF-FEHORTKBSA-N 314.425 3.390 50 1 DGGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1Br)O2 587371916 IAKKWVBFANHDJW-JSGCOSHPSA-N 310.191 3.229 50 1 DGGF CC(C)[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169364424 IZFOABIMPBXGKM-LUIAMAJESA-N 310.390 3.031 50 1 DGGF O=C(CCl)NC(=O)Nc1cccc(OC2CCCCC2)c1 40974237 ULLKESDSQSJGGA-UHFFFAOYSA-N 310.781 3.285 50 1 DGGF CC1(C)[C@H](Br)[C@H](O)CC2=C[C@]3(C)CC[C@]21CC3=O 2356635119 SFFSPNSTMBIYDQ-DWZYQQQCSA-N 313.235 3.226 50 1 DGGF O=CC[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409072 QKLKCMHZQJWHEN-AWEZNQCLSA-N 313.309 3.263 50 1 DGGF C[C@H]1O[C@]23C[C@H](c4cccc(Cl)c4)OC(=O)C2=C[C@@]1(C)OO3 96934011 MPXHCBQQKJKLBF-BBDZHYCFSA-N 322.744 3.090 50 1 DGGF Oc1cc(-c2ccccc2F)c(O)n1-c1ccnc(CCl)n1 587939571 GOAKGKHFJGKUEH-UHFFFAOYSA-N 319.723 3.223 50 1 DGGF C[C@H]1OC(=O)C(=CCCCCCCCCCC=CC=O)[C@H]1O 2356479055 AZUPKVUOQZNWFX-WBVHZDCISA-N 308.418 3.485 50 1 DGGF Oc1cc(-c2cccc(F)c2)c(O)n1-c1ccnc(CCl)n1 587939121 BOHKKNPVAFJWNT-UHFFFAOYSA-N 319.723 3.223 50 1 DGGF CC(C)C[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 100860954 XGVPEEHFWWRAFG-KJXITDTNSA-N 324.417 3.421 50 1 DGGF C=C(C=O)[C@@H]1Cc2cc([C@@H](C)OC(=O)C(C)=CC)ccc2O1 2356375812 HUQITUMVDCBAQQ-DYVFJYSZSA-N 300.354 3.316 50 1 DGGF N#CC(C#N)=C(/C=C/N1CCOCC1)C12CC3CC(CC(C3)C1)C2 1857770626 HVVMZFZFVXJYID-OWOJBTEDSA-N 323.440 3.392 50 1 DGGF COC(=O)/C(=C/c1ccccc1Br)CSC#N 95560400 AFLOMCZJQZWKKM-UXBLZVDNSA-N 312.188 3.220 50 1 DGGF O=c1[nH]c2cc3cccnc3c(Cl)c2nc1CBr 1662018 YLEGGGIDXPNMTL-UHFFFAOYSA-N 324.565 3.020 50 1 DGGF COc1ccc(-c2cc(/C=C/C=O)ccc2O)cc1/C=C/C=O 28971042 NGLPNRNIJGIQJU-ZUVMSYQZSA-N 308.333 3.492 50 1 DGGF biogenic,in-vitro N/N=C/CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 42963253 BFWLAMMMSGBACB-CGOBSMCZSA-N 320.433 3.338 50 1 DGGF CCO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 44265314 NLYNIRQVMRLPIQ-BHBPBTOGSA-N 312.406 3.231 50 1 DGGF O=C(N/N=C/c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1 1857639530 SYRBKZUXTHDWOM-DJKKODMXSA-N 308.259 3.175 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2ccc(C(=N)N)cc2[nH]1 587086644 FUVXDGSEWNZIQO-SECBINFHSA-N 313.174 3.031 50 1 DGGF Cc1cc(Cl)ccc1C(=O)NCCCSSCCN 618007733 NGABQKWLEUIDAO-UHFFFAOYSA-N 318.895 3.108 50 1 DGGF C=C1C[C@@]2(O)C[C@H](O)[C@H](Br)C(C)(C)[C@@]23CC[C@@H]1C3 238735462 WUQWVBLRRFTCJP-FUQNVFFISA-N 315.251 3.018 50 1 DGGF COC(C)(C)[C@H](Br)c1nc2cncc(Cl)c2[nH]1 586971745 XMJKLDOGQRXKRU-SECBINFHSA-N 318.602 3.472 50 1 DGGF COc1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 169694591 JAYSTNFISLCRKF-CZUORRHYSA-N 305.341 3.067 50 1 DGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C\CCl 587876536 HGDCGJDZVKAUJL-IWQZZHSRSA-N 316.615 3.451 50 1 DGGF O=C(O)CCCc1ccc([N+]([O-])(CCCl)CCCl)cc1 1643120 KXMJTDMWYPDAPL-UHFFFAOYSA-N 320.216 3.377 50 1 DGGF COC(=O)CCCCCCC(=O)N/N=C/c1sccc1C 95809408 QXVSXRSNESKOPB-LFIBNONCSA-N 310.419 3.020 50 1 DGGF CCOC(=O)c1c(CBr)[nH]c2cccc(F)c12 587632586 KVCIPOPELQQGJA-UHFFFAOYSA-N 300.127 3.379 50 1 DGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 43910596 NLYNIRQVMRLPIQ-KVHVZWHCSA-N 312.406 3.231 50 1 DGGF C=C1C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C(\C)C=O 84668993 GFRKOEGPMYJNGJ-UFHIIIIDSA-N 306.446 3.262 50 1 DGGF C=CCO/C(O)=C1\C(C)=NC(S)=C(C#N)[C@@H]1c1cccnc1 103998358 CZWJHEBTDJJKGA-BXWAGETQSA-N 313.382 3.277 50 1 DGGF O=C(N/N=C/c1ccc2ccccc2c1)c1nc2ccccc2[nH]1 1911576547 YPOUHVGMPJOXSD-UDWIEESQSA-N 314.348 3.480 50 1 DGGF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)OC2=O 587908372 ZZWDCRNXUYCQLZ-UHFFFAOYSA-N 312.708 3.059 50 1 DGGF C=C(C#CC1=C[C@H](OOC)C[C@@H](OC)C1=O)CCC=C(C)C 2356698470 XHHGBUIERAPGDO-DLBZAZTESA-N 304.386 3.153 50 1 DGGF CCOC(=O)Cc1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008179 LMQFQFXANSSIFR-SECBINFHSA-N 301.173 3.187 50 1 DGGF Cc1c([C@@H](C)Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648443 DUPWRFMVJGNYPV-MRVPVSSYSA-N 316.220 3.336 50 1 DGGF C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544209 NCNVUDCDMOGIIQ-XJKSGUPXSA-N 304.729 3.351 50 1 DGGF CN(C)CCSSCCC(=O)Nc1ccc(F)cc1F 618007687 LISONUUGVSYFTM-UHFFFAOYSA-N 320.430 3.236 50 1 DGGF COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccccc1Cl 58576415 SHQNSZSAVUDQKH-OAHLLOKOSA-N 302.761 3.271 50 1 DGGF C=C1C[C@H](OC(C)=O)C=C(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]1OO 2356616490 YOWABXYMBGIQEY-QBPKDAKJSA-N 312.406 3.096 50 1 DGGF N#CC1=C(N)Oc2c(ccc3cc[nH]c23)[C@@H]1c1cccc(C#N)c1 38440933 HMIDRJIJLTZELH-INIZCTEOSA-N 312.332 3.258 50 1 DGGF C[C@@]1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1 49694401 YPYOVOMTRUTQLX-QGZVFWFLSA-N 318.417 3.089 50 1 DGGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCC(=O)O)CC1 95808662 KVLTYQXADYNUEK-GYZOOYGHSA-N 306.406 3.426 50 1 DGGF CCCNNC(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1 1857564582 QTSHDJZHMIHMMA-UHFFFAOYSA-N 322.412 3.037 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@@H]1O 2356756805 RMJPNJYVWXJAHL-AJNGGQMLSA-N 313.235 3.204 50 1 DGGF C/C=C(\C)C(=O)OC[C@@]1(C)[C@@H]2CCC(=O)[C@]23C[C@H]1CC=C3C=O 238768961 YUKYBBOQNUTDCI-BIAANWMDSA-N 316.397 3.017 50 1 DGGF COc1ccc(C[C@H]2c3cc4c(cc3CCN2C)OOC4)cc1 238743610 DKCLOLGOSJKOMC-SFHVURJKSA-N 311.381 3.291 50 1 DGGF C=C(C#CC1=C[C@H](OOC)C[C@H](OC)C1=O)CCC=C(C)C 2356698472 XHHGBUIERAPGDO-IRXDYDNUSA-N 304.386 3.153 50 1 DGGF FC(F)(F)c1ncc2nc(CCCCBr)nc-2[nH]1 586972356 NLNXWFOGQOYGLK-UHFFFAOYSA-N 323.116 3.041 50 1 DGGF O=C(CS[C@H]1CCc2ccccc21)NN=Cc1ccco1 263591064 SVDDYYFSXGNVMR-HNNXBMFYSA-N 300.383 3.150 50 3 DGGF C/C=C\C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 101270971 HBOOSNCGKATHOD-VZRSDONWSA-N 322.401 3.341 50 1 DGGF O=C(Nc1cccnc1)c1cc2cc(CCl)ccc2oc1=O 27331629 QKEKKQNOUHYWMH-UHFFFAOYSA-N 314.728 3.179 50 1 DGGF NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2Cl)cc1 27319160 PBMYGBVDLKMNHS-QGMBQPNBSA-N 307.712 3.274 50 1 DGGF Cc1c(O)ccc2c1[C@@H](CCCCCCl)N[C@H](C(=O)O)C2 963511061 SMFAMPOYOXAEFP-OLZOCXBDSA-N 311.809 3.140 50 1 DGGF CCCC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 169371197 WFEXSHFUYVONEV-MYMDNWMNSA-N 310.390 3.319 50 1 DGGF COc1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694589 JAYSTNFISLCRKF-XJKSGUPXSA-N 305.341 3.067 50 1 DGGF Cc1ccc([C@H]2Oc3ccc(C=CC=O)cc3O[C@@H]2CO)cc1C 2356409785 SKOCITCMQXEGPF-WOJBJXKFSA-N 324.376 3.389 50 1 DGGF COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)o2)cc1 95590939 HPVWAYHMXURSKY-XYOKQWHBSA-N 316.744 3.165 50 1 DGGF CN(C)c1ncc(/C=C(\C#N)c2nc3ccccc3s2)cn1 1857630714 BFLCZTPNTNCFQH-KPKJPENVSA-N 307.382 3.216 50 1 DGGF C/C(=N/O[P@@](N)(=O)NCCC(Cl)Cl)c1ccccc1 29475118 VLZBDTJDZVKNOU-VPEZWSJASA-N 324.148 3.277 50 1 DGGF O=C(O)c1cccc2c1CCN[C@H]2c1cc(CCl)ccc1O 963128946 BVQVQURKJPMQSN-MRXNPFEDSA-N 317.772 3.064 50 1 DGGF N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(F)c1)CCN3 1857774606 JKKKLPHBQRZKGF-QGZVFWFLSA-N 307.328 3.012 50 1 DGGF CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2ccccc21 103249346 SHLUFWAPYFJTFP-ZDUSSCGKSA-N 308.274 3.080 50 1 DGGF C=C1C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C(/C)C=O 238784308 GFRKOEGPMYJNGJ-JOTPEHDGSA-N 306.446 3.262 50 1 DGGF Cc1occc1C(=O)N/N=C\c1cccc(C(C)(C)C)c1O 299866704 WHYYIZXROCWLDI-ZDLGFXPLSA-N 300.358 3.355 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@H](C)Br)O2 587373733 NIZPDEVHVWGYKV-VFZGTOFNSA-N 324.218 3.475 50 1 DGGF N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1n1ccc2ccccc21 40540460 JEWPPDFEYRRYIU-KRWDZBQOSA-N 303.321 3.023 50 1 DGGF CC(C)[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195244271 IZFOABIMPBXGKM-KLWBQWMUSA-N 310.390 3.031 50 1 DGGF Cc1c(C(=O)N/N=C\c2cccc(F)c2)oc2cccc(O)c12 1911576842 SGZHVTDXGJNNTP-OCKHKDLRSA-N 312.300 3.350 50 1 DGGF C=C(C(=O)O)[C@@H]1C[C@H](CC(=O)O)[C@]2(C)CCCC(=C)[C@]2(OO)C1 2356596305 FQPKLWGXZMIQJG-UTJXIGIESA-N 324.373 3.103 50 1 DGGF Cn1cc(C(=O)c2coc3ccc(Cl)cc23)c(C(=O)Cl)n1 587278453 NPZOZXWZWFJIEG-UHFFFAOYSA-N 323.135 3.430 50 1 DGGF CCCCCCCSC(=S)NNC(=O)c1cccnc1 169336943 OYIDOLKKJVIYHS-UHFFFAOYSA-N 311.476 3.305 50 1 DGGF CC(C)(C)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 13643171 NYYBARJEZVKXOS-XDHOZWIPSA-N 312.369 3.333 50 1 DGGF CSc1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586905788 CCQAIHZBIUNLHY-UHFFFAOYSA-N 310.334 3.262 50 1 DGGF C/C=C1\C[N+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 265514 ZEMNDQUOMWGCAZ-SXRZSAFQSA-O 307.417 3.002 50 1 DGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 42764281 NLYNIRQVMRLPIQ-FYHSPAJQSA-N 312.406 3.231 50 1 DGGF N[C@H](CCl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587010662 MPXINLVMYQRJIX-CYBMUJFWSA-N 301.777 3.381 50 1 DGGF BrCCCCc1nc2cc3c(cc2[nH]1)OCCO3 586972678 ZFXHITZPXNMSRQ-UHFFFAOYSA-N 311.179 3.052 50 1 DGGF Cc1c(F)ccc2c1[C@](CCl)(c1ccccc1N)NCC2 962304190 ZIURAHCOUBBINM-KRWDZBQOSA-N 304.796 3.344 50 1 DGGF CC1(C)[C@@H](Br)[C@H](O)CC2=C[C@]3(C)CC[C@]21CC3=O 2356635122 SFFSPNSTMBIYDQ-WCUVEOEZSA-N 313.235 3.226 50 1 DGGF Cc1ccc(C2OOC(c3ccc(C(=O)O)cc3)OO2)cc1 72170634 QZDTZOWFHQPZSV-UHFFFAOYSA-N 302.282 3.301 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 587086942 JSTBMIRLSNGPQH-SECBINFHSA-N 315.142 3.445 50 1 DGGF O=C(OCCCCCCBr)c1ccc(O)cc1O 1857768466 QBBRRMCLODFHNV-UHFFFAOYSA-N 317.179 3.210 50 1 DGGF NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641022 XDAFQKXHTVYZQT-UHFFFAOYSA-N 321.424 3.306 50 1 DGGF CCCCC[C@@]1(OC)CC[C@H](CC(=O)N(CC)CC)OO1 43379844 RJLIDZXMIAVCEW-ZBFHGGJFSA-N 301.427 3.279 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCC(C=O)=C1Cl)O2 587380159 BWKJXYSJRMQLMH-IAQYHMDHSA-N 319.788 3.403 50 1 DGGF Cc1nc2ccccc2n1CCC(=O)N/N=C/c1ccccc1F 96934312 GFQBDIVJDSHZTF-UDWIEESQSA-N 324.359 3.024 50 1 DGGF FC1(F)Oc2cc3nc(/C=C/CBr)[nH]c3cc2O1 586974567 XZWSOWVNAKGAFV-OWOJBTEDSA-N 317.089 3.293 50 1 DGGF CC1(C)C=C(C=CBr)[C@H](O)C[C@H]1Br 2356557851 DPDAVBNPZDMGLL-RKDXNWHRSA-N 310.029 3.376 50 1 DGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl 95809079 SBADATKSFALBBB-LDADJPATSA-N 324.808 3.304 50 1 DGGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@H]1O 2356756806 RMJPNJYVWXJAHL-KBXIAJHMSA-N 313.235 3.204 50 1 DGGF Cc1ccc(C2=C(C#N)C(=O)N[C@](C)(c3ccc(O)cc3)C2)cc1 224559293 NMVKNIUJZMKQBH-FQEVSTJZSA-N 318.376 3.413 50 1 DGGF C[C@H](Br)c1nc2c(Br)ccnc2[nH]1 587007659 CFEPQLQKOICCII-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF CN(C)CCSSCCn1cc(C2CCCCC2)nn1 618012727 YBCDKXIGKYMXCH-UHFFFAOYSA-N 314.524 3.269 50 1 DGGF CC(C)(C)[C@@H](Cl)C(=O)Nc1nnc(C(F)(F)F)s1 103278960 DTDYSOZQZQLMRH-BYPYZUCNSA-N 301.721 3.149 50 1 DGGF CCC/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccs1 13138462 NIJDUKQKZFYZDU-ATVHPVEESA-N 316.382 3.411 50 3 DGGF CO[C@]1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C(C)(C)C1 1857563095 DFYZORBOTKVKRC-OAHLLOKOSA-N 324.302 3.391 50 1 DGGF COC(=O)[C@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103191646 MXFMOOKMQFHBGA-LBPRGKRZSA-N 309.793 3.066 50 1 DGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccccc21 587388241 YXSIAVRUEIRZGJ-LJQANCHMSA-N 318.332 3.238 50 1 DGGF O=C(NCCCCN=C=S)Nc1ccc2scnc2c1 1857570227 HDEAHXTWYSQGHZ-UHFFFAOYSA-N 306.416 3.301 50 1 DGGF CC1(C)[C@@H]2CC[C@]1(C(=O)NNc1cccc3ncccc13)C(=O)C2 101508863 SVABMINDJHTGJR-CWTRNNRKSA-N 323.396 3.073 50 1 DGGF CC(C)(F)[C@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587087655 SKWPVVRWXSYYJQ-SSDOTTSWSA-N 317.118 3.050 50 1 DGGF CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587087659 SKWPVVRWXSYYJQ-ZETCQYMHSA-N 317.118 3.050 50 1 DGGF C=C[C@@]1(O)CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477803 NGSWIYLSYSURLO-RFIAZXKJSA-N 306.402 3.305 50 1 DGGF CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1cccc3ncccc13)C(=O)C2 101508867 SVABMINDJHTGJR-BUXKBTBVSA-N 323.396 3.073 50 1 DGGF CC(C)c1nn(C)c2c1[C@H]([C@@H](Br)C(C)C)NCC2 962916687 DCUNYEBQLWMODG-GXTWGEPZSA-N 314.271 3.150 50 1 DGGF CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NN/C=C2/C=CC=N2)cc1 15962043 BUFPQBJAVBDKFB-XQOFYJNGSA-N 309.413 3.190 50 3 DGGF O=C(N/N=C\[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Cl 8565052 KODRVOVCHSSWKW-MQHRVFIMSA-N 307.737 3.320 50 1 DGGF Cc1[nH]n(-c2ccc(Cl)cc2)c2nc(CCl)cc(=O)c1-2 100563281 UIXZZJAONUWDCZ-UHFFFAOYSA-N 308.168 3.366 50 3 DGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 42764291 NLYNIRQVMRLPIQ-DCSNAHRYSA-N 312.406 3.231 50 1 DGGF BrC/C=C\c1nc2cc(Br)cnc2[nH]1 586972109 GPDNWLKLGPECDJ-UPHRSURJSA-N 316.984 3.129 50 1 DGGF C[C@H](Br)c1nc2ccnc(Br)c2[nH]1 587007761 DOJZWUAQRXHSFX-BYPYZUCNSA-N 304.973 3.176 50 1 DGGF