smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc([C@H]2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O 2356867476 WSCYJQCCQBLFPP-MRXNPFEDSA-N 318.281 2.550 10 1 DFCF COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)C2=O)ccc1O 957811098 UHKWVWLDPNOIRE-GOSISDBHSA-N 312.321 2.903 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1cccc2ccccc12 12413040 VJVRYOOYEZERJD-FKEVTRRJSA-N 311.370 2.754 10 1 DFCF CC(=O)N[C@@H](CSC/C=C(\C)CCC=C(C)C)C(=O)C=[N+]=[N-] 27632721 MPQVEOHMIJQHOK-NRUITVPNSA-N 323.462 2.787 10 1 DFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccnc(Cl)c3)nc21 1857766140 XZAZBWCDNDANBF-UHFFFAOYSA-N 309.712 2.901 10 1 DFCF Cc1cc(C)c(O)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962915158 AUCQVVAKAVKCGB-JKSUJKDBSA-N 315.344 2.836 10 1 DFCF COc1ccccc1-c1nc2c([nH]1)C(=O)c1ccccc1C2=O 1857774003 IWELGXOGMGOCRG-UHFFFAOYSA-N 304.305 2.861 10 1 DFCF COc1ccccc1C/N=N/c1cc(N(C)C)nc(N(C)C)n1 169689833 LOVGAQIEXBOEEJ-LVZFUZTISA-N 314.393 2.901 10 1 DFCF CCCCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(NN)=N1 5582897 AUDBJXYONRXPGJ-KAMYIIQDSA-N 317.462 2.858 10 1 DFCF Oc1[nH]c2ccc(Br)cc2c1N=Nc1nn[nH]n1 253916587 ODWKLYLGVYZEBX-UHFFFAOYSA-N 308.099 2.565 10 1 DFCF Cn1c2c(c3ccccc31)CCN1C[C@@H]3COC(=O)C=C[C@@H]3C[C@@H]21 2356654800 KSLYJCMRRQHOJW-LBTNJELSSA-N 322.408 2.827 10 1 DFCF COc1ccc(-c2noc3c2C(=O)c2cnccc2C3=O)cc1 84711218 STNMQTFXTFQOMU-UHFFFAOYSA-N 306.277 2.521 10 1 DFCF O=C1c2ccccc2C(=O)[C@@]23C[C@H](c4ccc(F)cc4)OC[C@@]12O3 473106515 XMSTVQJMBSSDBF-AYOQOUSVSA-N 324.307 2.874 10 1 DFCF C[C@@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccccn1 1857582448 RGLAHFSQZQSICB-GFCCVEGCSA-N 322.368 2.565 10 1 DFCF CN[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]21C 3793057 YVBSZXJRJYYVQR-AFKMTKAPSA-N 317.429 2.513 10 1 DFCF investigational CCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40676412 UOOUTXUBCNKZJO-JLJPHGGASA-N 312.413 2.794 10 1 DFCF CO[C]1C=C(O)C=C2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12 2356840097 BZDHIUMGZAIYCL-UHFFFAOYSA-N 317.273 2.504 10 1 DFCF C[C@H](CNCCc1ccc(O)c(O)c1)Cc1cccc(O)c1 3872344 GUTBEOXGILVYQP-ZDUSSCGKSA-N 301.386 2.814 10 3 DFCF biogenic,in-man C[N+]1(C)CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)cc1 1911586930 GZCZUQLKNREJGE-MRXNPFEDSA-O 300.378 2.720 10 1 DFCF COc1ccc(CCc2cc(=O)c3cc(O)c(O)cc3o2)cc1 238788082 XDRRQGAOGRSPCD-UHFFFAOYSA-N 312.321 2.998 10 1 DFCF [N-]=[N+]=NCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587259330 CSVJNEXWXOGJIP-UHFFFAOYSA-N 322.394 2.624 10 1 DFCF C[N+]1([O-])CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)cc1 14439257 NBVMNDIZMDPDMC-BUSXIPJBSA-N 301.342 2.588 10 1 DFCF O=[N+]([O-])c1cc(-c2cc(-c3ccnc(F)c3)no2)cc(O)c1O 49071348 AKDWWYTZOMKZAH-UHFFFAOYSA-N 317.232 2.862 10 1 DFCF CN1CCN(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)CC1 96174730 IJTXEOVESLEHQE-RAXLEYEMSA-N 321.833 2.558 10 1 DFCF N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CC1 587255938 VUCVGEXSZHREBH-OAHLLOKOSA-N 317.348 2.748 10 1 DFCF COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC 13586382 AHNQLBUZUYKOGF-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF O[C@H]1C[C@@H](Nc2ccc(/N=N\c3ccccc3)cc2)OC[C@H]1O 102623500 MKDQKKFKZDPVME-FDPWKOJSSA-N 313.357 2.982 10 1 DFCF COc1cc(O)c2c(c1C)C(=O)N(c1cccc(C(=O)O)c1)C2 28950815 LZFMNQCWWCOUIL-UHFFFAOYSA-N 313.309 2.568 10 1 DFCF Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)s2)c(O)c1 95590234 WCWJMCVRJVZEQB-UHFFFAOYSA-N 302.311 2.695 10 1 DFCF C[C@@H](O)c1cc2c(s1)C(=O)c1c([C@@H](C)O)csc1C2=O 1648664 UCYRPWDOWLXJHZ-PHDIDXHHSA-N 308.380 2.692 10 1 DFCF COc1cc2c3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=NCC2 66100907 ZJEICCBPRLYBQU-UHFFFAOYSA-N 308.293 2.541 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(O)cc1 95592308 PVMFUGSGMITKLQ-INIZCTEOSA-N 312.325 2.501 10 1 DFCF CCOC(=O)Cn1c(O)c(N=NC(=O)OC)c2ccccc21 254044897 ANTXDGDQNMCISH-UHFFFAOYSA-N 305.290 2.760 10 1 DFCF Cc1ccc(/C=C/[C@@H](c2ccc(O)c(O)c2)[C@H](O)CO)cc1 238730649 PUDJVOUPUJHFDP-WHFNLZNOSA-N 300.354 2.556 10 1 DFCF Cc1noc(-c2ccc(N3C[C@@H](CN=[N+]=[N-])OC3=O)cc2F)n1 96928820 CHTBEUNDXYYXMC-SECBINFHSA-N 318.268 2.820 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@H]1c1cccc(O)c1 95590909 BMRZTRKGKVEFJG-INIZCTEOSA-N 312.325 2.501 10 1 DFCF COc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1C 587193041 QFUROYZUQAYASR-UHFFFAOYSA-N 311.385 2.975 10 1 DFCF Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1 66098865 BQKZTKBLCNECKW-UHFFFAOYSA-N 309.413 2.894 10 1 DFCF O=C1CS[C@@H](c2ccc(O)c(O)c2)N1c1ccc(O)cc1 96915202 HBEMSKJGFZTPDQ-HNNXBMFYSA-N 303.339 2.582 10 1 DFCF Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 72123083 AGULWCWMDMKUSF-CQSZACIVSA-N 321.423 2.950 10 1 DFCF CN(C)c1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 1857585220 JFFFGAVTZYLBMF-UHFFFAOYSA-N 317.345 2.919 10 1 DFCF COc1ccc(CCc2cc(O)c(O)c(OC)c2)cc1OC 15113670 CTWOFTZOLGIIIC-UHFFFAOYSA-N 304.342 2.909 10 1 DFCF biogenic Cc1noc(-c2ccc(N3C[C@@H](CN=[N+]=[N-])OC3=O)cc2)n1 96928818 ULLGVMQEZHRZKE-LLVKDONJSA-N 300.278 2.681 10 1 DFCF CO[C@@H]1C(=O)O[C@@H](C)c2c(O)c(O)c3c(c21)CCC(C)(C)O3 13460562 VKCBFLWECIFSKY-WJWGPLDTSA-N 308.330 2.507 10 1 DFCF biogenic Nc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 103269186 LVULUEUHFXGDNF-UHFFFAOYSA-N 305.381 2.878 10 1 DFCF CC(C)c1ccc2nc3c(nc2c1)C(=O)c1ccncc1C3=O 28642546 KWVPCUSAWJOPEE-UHFFFAOYSA-N 303.321 2.924 10 1 DFCF C1=CC=C2NCCC/N=C3/C=CC=CC=C3NCCC/N=C\2C=C1 73386836 OEHCVRNWMIVHJX-RSFSRFMPSA-N 320.440 2.861 10 1 DFCF CCNC(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653788993 TYVYOSAOFFMXQC-UHFFFAOYSA-N 319.769 2.927 10 1 DFCF CN(C)C(=O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587197848 VOHOYKVHTNVPGG-UHFFFAOYSA-N 310.357 2.568 10 1 DFCF O=C1NC(=S)S/C1=C\c1csc(-c2cccnc2)n1 1772655325 SWTGHOLVKWWDRK-WTKPLQERSA-N 305.409 2.694 10 1 DFCF CC[C@H]1C(=O)N(CC(C)C)c2sc3ccccc3[n+]2C1=O 101339922 USIOABQUKINZIW-NSHDSACASA-N 303.407 2.858 10 1 DFCF CC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1Cc1ccncc1 84617488 YYNJYNMSNMNRHH-LDADJPATSA-N 320.396 2.949 10 1 DFCF COc1cc2oc(=O)c3c4cc(O)c(O)cc4oc3c2cc1O 26736136 KEZZRXCUUBOYRH-UHFFFAOYSA-N 314.249 2.818 10 1 DFCF Cc1cc(C)c(C2C(=O)N3C[C@@H](C)[C@H](C)CN3C2=O)c(C)c1 103274732 WMNLWBGBTFLPMK-ZIAGYGMSSA-N 300.402 2.567 10 1 DFCF O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCC3 96907906 IMKAGIWATGZXJM-UHFFFAOYSA-N 300.339 2.552 10 1 DFCF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C=C[C@H](N=[N+]=[N-])[C@H]3[C@@H]1C5 101159444 FBBMAWBAUOCSMA-SXCOJBNFSA-N 310.357 2.516 10 1 DFCF COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 98081878 RLVDRXRKQYHBGF-VQHVLOKHSA-N 313.309 2.536 10 1 DFCF CCOC(=O)Cc1cc(NCc2cc(O)ccc2O)ccc1O 13735385 BCVSCMLOARVNDH-UHFFFAOYSA-N 317.341 2.521 10 1 DFCF CC1(C)C(=O)c2c3c(c4c([nH]c5ccccc54)c2C1=O)C(=O)NC3 29124062 AWMXYBMLNPKQHR-UHFFFAOYSA-N 318.332 2.970 10 1 DFCF COC(=O)c1c(C)cc2c(c1C)C(=O)c1c(O)cccc1C2=O 238737895 LWGOFCIVVLFUPX-UHFFFAOYSA-N 310.305 2.571 10 1 DFCF COc1cc(O)c2c(c1)O[C@H](c1cccc(O)c1O)CC2=O 14728038 WNVIBRHBJSWDLA-ZDUSSCGKSA-N 302.282 2.519 10 1 DFCF biogenic CC(=O)N1N[C@@H](c2ccc(O)cc2O)C[C@@H]1c1ccc(C)cc1 28333420 CJLFZVLYTVTOKP-IAGOWNOFSA-N 312.369 2.945 10 1 DFCF Cc1cc(C)c(C2C(=O)N3C[C@H](C)[C@@H](C)CN3C2=O)c(C)c1 103274735 WMNLWBGBTFLPMK-KBPBESRZSA-N 300.402 2.567 10 1 DFCF CC1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2O)C1 71335247 DIWWKKFMDSWKMF-HNNXBMFYSA-N 316.382 2.904 10 1 DFCF COc1ccc([C@H]2CC(=O)c3c(cc(OC)c(O)c3O)O2)cc1 238759161 MFNNBYIVJIVZFM-GFCCVEGCSA-N 316.309 2.822 10 1 DFCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)Cn1ccnc1)C(C)(C)C2 26168465 YUKPKEXWZZARHW-QGZVFWFLSA-N 313.401 2.645 10 1 DFCF CC(=O)N1N[C@H](c2ccc(O)cc2O)C[C@H]1c1ccc(C)cc1 28333441 CJLFZVLYTVTOKP-IRXDYDNUSA-N 312.369 2.945 10 1 DFCF COc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 13604080 JQURQUMMDFKDOK-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF CC(=O)N[C@H](c1ccco1)c1cc(F)c2cccnc2c1O 36388635 KPCMLLPYYKTMMV-AWEZNQCLSA-N 300.289 2.898 10 3 DFCF Cc1ccc(OCC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1C 13585697 DFXKAGFFPSQQJC-UHFFFAOYSA-N 317.297 2.885 10 1 DFCF CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(N(C)C)cc1 72179176 NMFSLQRXZQYPEH-GOSISDBHSA-N 309.369 2.992 10 1 DFCF O=C(O)c1cc(/N=N/[C@H](Cc2ccccc2)C(=O)O)ccc1O 43569804 WIMZSGXELBIOOW-OYLHUBKDSA-N 314.297 2.870 10 1 DFCF O=c1cc(-c2ccc(O)c(O)c2)oc2c(Cl)c(O)cc(O)c12 299833501 YHIYBWZKAAXGJJ-UHFFFAOYSA-N 320.684 2.936 10 1 DFCF C[C@H](F)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587123164 HXWXUASFRALVMR-RTHLEPHNSA-N 323.327 2.696 10 1 DFCF CC(C)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587259578 WGQZCCCCQZQJJM-HNNXBMFYSA-N 319.364 2.994 10 1 DFCF Cc1cc([N+](=O)[O-])c(O)c([C@]2(C)NCCc3c(C)ccnc32)c1 963069544 NHOFCUQLUVYMIX-KRWDZBQOSA-N 313.357 2.721 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1cccc(Cl)c1C 253978807 ZRCTWNUFYGPSRA-JTQLQIEISA-N 309.782 2.562 10 3 DFCF O=C1c2cccc3ccc(-c4ccc(O)c(O)c4)c(c23)[C@@H](O)[C@H]1O 100825024 KYFLPCGJIAGYKZ-MOPGFXCFSA-N 322.316 2.509 10 1 DFCF endogenous,in-man CC[C@H](O)[C@@H]1Cc2c(C)cc3c(c2O1)C(=O)c1ccccc1C3=O 5887291 XCZPSKZKNPMOFK-HOTGVXAUSA-N 322.360 2.845 10 1 DFCF Cn1c2c(c3ccccc31)CCN1C[C@@H]3COC(=O)C=C[C@@H]3C[C@H]21 2356654799 KSLYJCMRRQHOJW-HBUWYVDXSA-N 322.408 2.827 10 1 DFCF CO[C@H]1C(=O)O[C@@H](C)c2c(O)c(O)c3c(c21)CCC(C)(C)O3 13460566 VKCBFLWECIFSKY-JKYUHCHBSA-N 308.330 2.507 10 1 DFCF biogenic C[C@@H](F)[C@@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587123170 HXWXUASFRALVMR-XLKFXECMSA-N 323.327 2.696 10 1 DFCF COc1cc(OC)c(C(=O)CCc2ccccc2)c(O)c1O 14652452 RZFPYTZZSXAWPH-UHFFFAOYSA-N 302.326 2.931 10 1 DFCF biogenic,in-vitro COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cn1 587784955 GFVNAFYTPGEJTO-ARJAWSKDSA-N 313.313 2.557 10 1 DFCF COc1cc(/C=C/c2nc3cncc(OC)c3[nH]2)cc(O)c1O 587785510 NBXOQBWPGYWBMC-ONEGZZNKSA-N 313.313 2.557 10 1 DFCF O=C(O)c1ccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)cc1 84733169 PAASXQYAKXYCKY-UHFFFAOYSA-N 313.265 2.643 10 1 DFCF COC(=O)c1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95581298 CFRWXSCXOKTHKE-UHFFFAOYSA-N 319.316 2.537 10 1 DFCF CC(=O)c1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1 587193373 ZTXCSBMZEPLJMT-UHFFFAOYSA-N 309.369 2.861 10 1 DFCF CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)c(O)c1 95588411 YZFZPKWYYSHLAW-AWEZNQCLSA-N 312.325 2.501 10 1 DFCF CN(Cc1ccc(CNC=O)cc1)Cc1ccc(N(C)C)cc1 71340713 SYIVYVYCCRCJLU-UHFFFAOYSA-N 311.429 2.631 10 1 DFCF COc1c(O)c(O)c(O)c2c1C(=O)C[C@H](c1ccccc1)O2 14728475 PKAFYSRHNWFISU-SNVBAGLBSA-N 302.282 2.519 10 1 DFCF biogenic O=C(O)c1cc(/N=N/[C@@H](Cc2ccccc2)C(=O)O)ccc1O 43569802 WIMZSGXELBIOOW-BZSIDJSBSA-N 314.297 2.870 10 1 DFCF Cc1cc(C)c(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)c(C)c1 169689421 SAQNXVANJMAERC-WUKNDPDISA-N 303.391 2.917 10 1 DFCF COc1ccc([C@H]2Oc3ccc(C)cc3C(=O)C2=O)c(OC)c1 957811112 VOWXVAXYBFOWEG-GOSISDBHSA-N 312.321 2.898 10 1 DFCF COc1cc(/C=C/C(=O)OCCc2ccc(N)cc2)ccc1O 653857562 WVTOBYRUCJPBEE-WEVVVXLNSA-N 313.353 2.782 10 1 DFCF CN(Cc1ccc(N(C)C)cc1)Cc1cccc(CNC=O)c1 71340737 AHTBRIFOANZHBE-UHFFFAOYSA-N 311.429 2.631 10 1 DFCF COc1c(-c2ccc(O)cc2)oc2c(O)c(O)ccc2c1=O 14757268 IEPMJEZVWUMMAQ-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic O=[N+]([O-])c1ccc(CC[C@H]2NCCc3cc(O)c(O)cc32)cc1 29125860 XITAKLLMOBYBCL-OAHLLOKOSA-N 314.341 2.826 10 1 DFCF Cc1cccc2nc3c(C(=O)NCCN(C)C)cccc3c(N)c12 27524733 LOMWVLDZKNIDSR-UHFFFAOYSA-N 322.412 2.570 10 1 DFCF Cc1cccc(C)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 1857637312 ARBJOGMMWXJLCU-WDZFZDKYSA-N 307.396 2.589 10 1 DFCF CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64448701 AMNGHMSGIHDILP-UHFFFAOYSA-N 314.293 2.976 10 1 DFCF COc1cc2c(cc1OC)OC[C@H](c1ccc(O)c(O)c1)C2 64573492 SEOYNUPLUOEVNT-GFCCVEGCSA-N 302.326 2.834 10 1 DFCF CC1=NN(C(=O)CN2CCC[C@H](C)C2)[C@H](c2ccccc2O)C1 653729250 QOTMVBVSIZDIIU-BBRMVZONSA-N 315.417 2.773 10 1 DFCF COc1cc2c(c(OC)c1OC)-c1cc(O)c(O)cc1CC2 14650750 CCFXPUUSOWNDGY-UHFFFAOYSA-N 302.326 2.889 10 1 DFCF biogenic COc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)cc(O)c1O 587785186 IRTTVANPKFEPPJ-NSCUHMNNSA-N 301.277 2.687 10 1 DFCF Cc1cc2c(c3c1O[C@@H](C(C)(C)O)C3)C(=O)c1ccccc1C2=O 13383134 FUYVCITUFJCEBT-OAHLLOKOSA-N 322.360 2.845 10 1 DFCF biogenic,in-vitro CCCc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 28764223 KBXQAHKIUBTDCL-DNVCBOLYSA-N 310.397 2.995 10 1 DFCF CCCN1CCC(=O)N([C@H](CN=[N+]=[N-])Cc2ccccc2)CC1 12474781 PPSHNPBLICUCOZ-INIZCTEOSA-N 315.421 2.852 10 3 DFCF C[C@H]1C[C@H](C)CN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1 13677685 WWFAZWBXGOHGTK-QWRGUYRKSA-N 322.361 2.557 10 1 DFCF CC(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 27899719 KVGRDWIJNPSZGM-UHFFFAOYSA-N 317.433 2.542 10 1 DFCF CCCc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O 238753533 AQTQRKXWPKDJET-UHFFFAOYSA-N 312.321 2.834 10 1 DFCF c1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)nc1 169685247 UZQNCAKKDOHYFX-XTQSDGFTSA-N 316.328 2.889 10 1 DFCF [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccccc2N=c2cc[nH]cc2)C1 1772613916 JIEUUPZSWIQVFV-CYBMUJFWSA-N 308.345 2.772 10 1 DFCF COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cn1 587784956 GFVNAFYTPGEJTO-ONEGZZNKSA-N 313.313 2.557 10 1 DFCF O=C1O[C@H](c2ccc(O)c(O)c2)CC1=Cc1ccc(O)c(O)c1 2356512010 UBOOMSUOPIZYEU-INIZCTEOSA-N 314.293 2.581 10 1 DFCF C[C@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 14764895 OTYDQANROURYGR-MRVPVSSYSA-N 322.316 2.638 10 1 DFCF biogenic O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(O)c(O)c1 13673947 QDEMMBFTFIHBQE-UHFFFAOYSA-N 324.695 2.852 10 1 DFCF COc1ccc(C/N=N/c2cc(N(C)C)nc(N(C)C)n2)cc1 169686951 BBLXPLJXFFEROW-LVZFUZTISA-N 314.393 2.901 10 1 DFCF COc1ccc(-c2coc3cc(O)c(O)cc3c2=O)cc1O 137499824 QDJDVHHJAKIOIR-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF CC(=O)[C@@H]1C(c2ccccc2)=NC(=O)N[C@@H]1c1ccc(O)c(O)c1 169688871 WUIIYALWCYDXBU-NVXWUHKLSA-N 324.336 2.557 10 1 DFCF Oc1[nH]c2ccc(Br)cc2c1/N=N\c1nnn[nH]1 13638669 ODWKLYLGVYZEBX-SEYXRHQNSA-N 308.099 2.565 10 1 DFCF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C=C[C@H](N=[N+]=[N-])[C@H]3[C@H]1C5 169365554 FBBMAWBAUOCSMA-DVIRQSRISA-N 310.357 2.516 10 1 DFCF COc1cc(/C=C/c2nc3ccnc(OC)c3[nH]2)cc(O)c1O 587785429 LVHWLTQALGUVRX-ONEGZZNKSA-N 313.313 2.557 10 1 DFCF Oc1ccc(-c2nsc(-c3ccc(O)c(O)c3)n2)cc1O 142487454 MKKIWISQFSVGQX-UHFFFAOYSA-N 302.311 2.695 10 1 DFCF O=C(c1ccc(O)c(O)c1)c1cc(O)cc2cc(O)c(O)cc12 13481726 YGXFJMBKKSJUBM-UHFFFAOYSA-N 312.277 2.599 10 1 DFCF biogenic CCCCOC(=O)CCSC(=S)NCc1cccnc1 72317590 SQJAFGWABZQNTD-UHFFFAOYSA-N 312.460 2.923 10 1 DFCF COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(OC)cc1C2=O 14814198 OIGDMEDQUWINRL-UHFFFAOYSA-N 312.321 2.796 10 1 DFCF biogenic COc1cc(C(=O)C(=O)c2ccccc2)cc(OC)c1OC 29047795 RVWFWQXFUXJPID-UHFFFAOYSA-N 300.310 2.778 10 1 DFCF CCn1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40676414 UOOUTXUBCNKZJO-YSVLISHTSA-N 312.413 2.794 10 1 DFCF CN(CCO)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587192781 CQKPUXXWXRTQSR-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF CC(=O)c1ccc(-c2c(O)ccc(C(C)=O)c2O)c(O)c1O 238784769 PWXVHDBBWJSGOT-UHFFFAOYSA-N 302.282 2.581 10 1 DFCF Nc1ccc(Oc2ccc3nc(CC4OCCO4)[nH]c3c2)cc1 586909421 YSPCUPDWJXKRBE-UHFFFAOYSA-N 311.341 2.853 10 1 DFCF Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc12 14761236 NOTYLVGBOXQKED-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF biogenic O=C(NCc1ccccc1O)c1cc2ccc(O)cc2cc1O 27547016 OUWDPHICDBVIAX-UHFFFAOYSA-N 309.321 2.887 10 1 DFCF CC(=O)N1N[C@@H](c2c(O)cccc2O)C[C@@H]1c1ccc(C)cc1 28343384 LDIHTVZGYRFMGG-HUUCEWRRSA-N 312.369 2.945 10 1 DFCF C1=CC=C2NCCC/N=C3\C=CC=CC=C3NCCC/N=C/2C=C1 104162463 OEHCVRNWMIVHJX-DPIBHUQISA-N 320.440 2.861 10 1 DFCF C[C@@H](CNCCc1ccc(O)c(O)c1)Cc1cccc(O)c1 3872345 GUTBEOXGILVYQP-CYBMUJFWSA-N 301.386 2.814 10 3 DFCF biogenic,in-man O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1O 1772603155 AORSAHJMPMPCQF-SOFGYWHQSA-N 300.310 2.603 10 1 DFCF Oc1cc2c(cc1O)[C@@H]1C[C@H](O)C[C@@H](c3ccccc3)N1CC2 1857541724 KEABEMRWEGQHLI-PVAVHDDUSA-N 311.381 2.893 10 1 DFCF O[C@@H]1CNCc2nc(-c3ccc(N4CCCC4)cc3)sc21 53295085 WSERFXHIPNYNJF-CQSZACIVSA-N 301.415 2.547 10 1 DFCF CCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29481350 UOOUTXUBCNKZJO-UKPHBRMFSA-N 312.413 2.794 10 1 DFCF COc1ccc([C@@H]2COc3cc(O)c(O)cc3C2)c(OC)c1O 14645764 UGMLMXOTFZEATD-JTQLQIEISA-N 318.325 2.539 10 1 DFCF biogenic CN1CCN(Cc2c(O)ccc3[nH]c(-c4ccccc4)nc23)CC1 84604471 YFPIEHCERJZNFC-UHFFFAOYSA-N 322.412 2.683 10 1 DFCF COc1cc(-c2cc3cc(O)c(O)cc3oc2=O)ccc1O 73167063 CLLMMMRKXJTLFW-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF Oc1ccc(-c2c(O)c(O)c(Cl)c3c2CCNCC3)cc1 29555844 YXYDGLLKQJKPBQ-UHFFFAOYSA-N 305.761 2.812 10 1 DFCF O=C1CS[C@H](c2ccc(O)c(O)c2)N1c1ccc(O)cc1 96915203 HBEMSKJGFZTPDQ-OAHLLOKOSA-N 303.339 2.582 10 1 DFCF COc1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)cc(O)c1O 587784661 BYOCPGLBMYFYSZ-IHWYPQMZSA-N 318.720 2.548 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1c(C)cc(C)cc1C 6825430 XNMJUOWDLYPHCO-ICDILTBESA-N 303.391 2.526 10 1 DFCF [N-]=[N+]=NCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 587260630 WXCSTCNVWJBCCF-UHFFFAOYSA-N 311.353 2.952 10 1 DFCF Oc1[nH]c2ccc(Br)cc2c1/N=N/c1nn[nH]n1 101480222 ODWKLYLGVYZEBX-OUKQBFOZSA-N 308.099 2.565 10 1 DFCF COc1c(-c2ccccc2)oc2c(OC)c(O)c(O)cc2c1=O 238778621 IKAYSWHYIXUSTI-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF CO[C@H]1CC=C2CCN3CCCc4cc(O)c(O)cc4[C@]23C1 14721216 HPADXYCEHVZBLQ-KSSFIOAISA-N 301.386 2.680 10 1 DFCF biogenic COc1ccc(-c2coc3c(O)c(O)c(OC)cc3c2=O)cc1 14759301 BSXFDHHTXOAUGB-UHFFFAOYSA-N 314.293 2.888 10 3 DFCF biogenic,in-vitro CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1cccc(O)c1 17218460 QRIGOGMCMBHXSL-BOPFTXTBSA-N 320.348 2.763 10 1 DFCF CC[C@@H]1C(=O)N(CC(C)C)c2sc3ccccc3[n+]2C1=O 101339925 USIOABQUKINZIW-LLVKDONJSA-N 303.407 2.858 10 1 DFCF COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@@H]3NCC2 14725314 GYBZIPUTSFKFHR-NSHDSACASA-N 313.353 2.525 10 1 DFCF biogenic Oc1cccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)c1 26392768 IFUGHZWPGOPLQC-ZDUSSCGKSA-N 305.761 2.734 10 1 DFCF CCCN(CCC)[C@@H]1CCc2cccc(OC(=O)C=[N+]=[N-])c2C1 28022896 BCDHSOYUIUINNE-OAHLLOKOSA-N 315.417 2.872 10 1 DFCF O=C(O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 38983464 RVUYEKXBCKYZND-UHFFFAOYSA-N 319.316 2.688 10 1 DFCF CCC1(CC)C(=O)c2cc(OCC(=O)O)c(C)c(C)c2C1=O 27987998 AZDKYXLECFYFBT-UHFFFAOYSA-N 304.342 2.952 10 1 DFCF OC1=C[C]2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1O 2356826636 MLFJSLGWUCECJZ-UHFFFAOYSA-N 303.246 2.596 10 1 DFCF CC1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2O)C1 71335249 DIWWKKFMDSWKMF-OAHLLOKOSA-N 316.382 2.904 10 1 DFCF COc1cc2c(cc1OC)OC[C@@H](c1ccc(O)c(O)c1)C2 64573494 SEOYNUPLUOEVNT-LBPRGKRZSA-N 302.326 2.834 10 1 DFCF Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCC[C@]3(C)CO 6072097 VIDDDTBBUDIKKK-LJQANCHMSA-N 310.349 2.950 10 1 DFCF biogenic,in-vitro O=C(CCc1ccccc1)C[C@H](O)CCc1ccc(O)c(O)c1 70455139 SYRQDRMPFUJWII-QGZVFWFLSA-N 314.381 2.983 10 1 DFCF biogenic,in-vitro COc1cccc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O 28386980 XSXDMYIOIFFASB-UHFFFAOYSA-N 316.357 2.984 10 1 DFCF Oc1cccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)c1 95565818 FECKXNGJFWUHLF-KBRIMQKVSA-N 311.381 2.979 10 1 DFCF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(N(C)C)cc1)[C@@H](C)O 1857754025 UWOFAQCHSOILSC-BTAWCLGRSA-N 316.361 2.545 10 1 DFCF CCCCCNCc1ccc2c(c1)C(=O)c1nccnc1C2=O 299823479 GUAVDGRKKKHXSA-UHFFFAOYSA-N 309.369 2.532 10 1 DFCF COc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12 34004198 ZWPBZVHIAQOYML-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF Cc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1O 238776689 XUBYZJHAYIWTHA-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF CCCc1c(O)c(C)c(O)c2c1C(=O)c1c(O)cccc1C2=O 2356807615 XXPMNOICBOYBOS-UHFFFAOYSA-N 312.321 2.840 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1[C@@H]1CCCc2ccccc21 45302559 CSAKZFWFFIGGRP-CYBMUJFWSA-N 309.321 2.771 10 1 DFCF COc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 1772636090 NIAGSBGKNHDSBD-VQHVLOKHSA-N 314.337 2.906 10 1 DFCF Nn1cnnc1/N=N/[CH-]c1cc([N+](=O)[O-])c(Cl)cc1Cl 169691182 TVZOHZCPXPIIJR-FYWRMAATSA-N 315.100 2.501 10 1 DFCF COc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1F 587193263 WPCYNEYBHLRBLR-UHFFFAOYSA-N 315.348 2.806 10 1 DFCF Cc1cc2/c(=C/c3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C 1656947 ZLFLTSDBNPMIQD-UHFFFAOYSA-N 316.428 2.839 10 3 DFCF CCc1cc(C)cc(CC)c1C1C(=O)N2CCCCN2C1=O 103276939 JBULVAWANMIRST-UHFFFAOYSA-N 300.402 2.583 10 1 DFCF COc1ccc(-c2c[nH]c3c2C(=O)c2[nH]cc4c2C3=NCC4)cc1 45300851 PRBNCMXEZHTISA-UHFFFAOYSA-N 317.348 2.956 10 1 DFCF COc1cc2oc3cc(O)c(O)c(O)c3c(=O)c2cc1Cl 13386582 PXAQWBQHHVXCLO-UHFFFAOYSA-N 308.673 2.725 10 1 DFCF biogenic,in-vitro Cc1cc(SCC2=NNC(=O)/C2=C\N(C)C)c(C)cc1Cl 33381031 XUWZNJWFDQEBLZ-XFFZJAGNSA-N 323.849 2.980 10 1 DFCF Oc1c(F)ccc(CNc2ncccc2-c2ncccn2)c1O 621430415 VTXIJMPFQMKKJO-UHFFFAOYSA-N 312.304 2.701 10 1 DFCF O=c1ccc([N+](=O)[O-])c[c-]1C/N=N/c1cccc([N+](=O)[O-])c1 169688584 AYZGIQAYIVOSII-CCEZHUSRSA-N 301.238 2.866 10 1 DFCF Nc1ccc(CN2C(=O)c3cccc4cc(N)cc(c34)C2=O)cc1 103254232 OIXXCBYKJYAFJO-UHFFFAOYSA-N 317.348 2.800 10 1 DFCF COc1ccc2c(c1OC)C(=O)c1ccc(C)c(OC)c1C2=O 14814091 RWVHUTANCFUKQQ-UHFFFAOYSA-N 312.321 2.796 10 1 DFCF biogenic Cc1cc(=O)n2nc(N)c(N=Nc3cccc(Cl)c3)c2[nH]1 957599308 KYDJEHCPHOFMOJ-UHFFFAOYSA-N 302.725 2.982 10 1 DFCF Nc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2)cc1 27732836 YZWPLJSDDGTWJU-UHFFFAOYSA-N 317.356 2.595 10 1 DFCF COc1ccc(C2=Cc3cc(O)c(O)cc3OC2)c(O)c1OC 238752434 RCTQJKRKTPVOLP-UHFFFAOYSA-N 316.309 2.754 10 1 DFCF CN1c2ccn(C)c2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 473086769 CNXZGOPCILWZGM-QGZVFWFLSA-N 306.369 2.653 10 1 DFCF COc1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1O 13586383 UNWMYSLVYRGPMG-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF O=C1c2ccccc2C(=O)[C@@]23C=C(c4ccccc4)OC[C@@]12O3 473099465 FUTIMQBYTFAANH-RBUKOAKNSA-N 304.301 2.645 10 1 DFCF Cc1cc(F)cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1O 962900393 QGSALHOHCVVBFT-ZFWWWQNUSA-N 319.307 2.667 10 1 DFCF C[C@H](Cc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 26971319 OLUBGMZCRFCJRU-MLGOLLRUSA-N 313.397 2.882 10 1 DFCF CC1=NN(C(=O)CN2CCC[C@@H](C)C2)[C@H](c2ccccc2O)C1 653729251 QOTMVBVSIZDIIU-CJNGLKHVSA-N 315.417 2.773 10 1 DFCF Cc1c(F)ccc2c1[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)NCC2 962093912 RYNUCMWYFWSNPV-HNNXBMFYSA-N 318.304 2.689 10 1 DFCF [N-]=[N+]=NCc1ccc(C(=O)CC(=O)C(=O)O)cc1CN=[N+]=[N-] 13488679 XTPDVWFMMFGCKG-UHFFFAOYSA-N 302.250 2.534 10 1 DFCF N[C@H]1CCc2c(Cl)cc(I)c(O)c21 27656449 CEULTHJKRUUWCN-ZETCQYMHSA-N 309.534 2.596 10 1 DFCF Cc1cc(O)c(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14761152 RIHNIOGZQGGOEU-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF biogenic O=C1c2ccccc2C(=O)c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc21 1857655879 SWSDEMJWHDQZFA-UHFFFAOYSA-N 319.276 2.760 10 1 DFCF O=C1c2c(cc(O)c(O)c2O)CN1Cc1ccc(F)c(Cl)c1 95563866 BXVLAASPBZGLQH-UHFFFAOYSA-N 323.707 2.752 10 1 DFCF CCOC(=O)c1cc2c(s1)C(=O)c1c(OC)cccc1C2=O 299827316 XOIBZVUUJXUKNS-UHFFFAOYSA-N 316.334 2.709 10 1 DFCF Cn1cc2c(=O)c(O)ccc-2c2ccc3cc(O)c(O)cc3c21 45298523 WTHRUTSQRGOPCT-UHFFFAOYSA-N 307.305 2.913 10 1 DFCF O=C(/C=C\c1ccc(O)c(O)c1)O/C=C\c1ccc(O)c(O)c1 218350593 GFZFUVWXGQWUGX-BZYUTKLASA-N 314.293 2.736 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(O)cc1 95592309 PVMFUGSGMITKLQ-MRXNPFEDSA-N 312.325 2.501 10 1 DFCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1 49803122 JMFPEICQTJDKBP-KRXBUXKQSA-N 300.270 2.658 10 1 DFCF COc1ccc([C@@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1OC 2356829353 IXPQVGYEEBKAPR-AWEZNQCLSA-N 316.309 2.822 10 1 DFCF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(O)c3O2)cc1 14728459 OVDFVZLTXMMPDE-ZDUSSCGKSA-N 302.282 2.519 10 1 DFCF biogenic COc1cc2[nH]c3c(c2cc1OC)C(=O)c1ccccc1C3=O 299827688 QKHCUQKZVJIGBH-UHFFFAOYSA-N 307.305 2.961 10 1 DFCF CN1OC[C@@H]2CN[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 199736831 XJULQZSQZYARTM-SZMVWBNQSA-N 301.434 2.573 10 3 DFCF O[C@H]1C[C@H](Nc2ccc(N=Nc3ccccc3)cc2)OC[C@H]1O 253982900 MKDQKKFKZDPVME-GVDBMIGSSA-N 313.357 2.982 10 3 DFCF Oc1cc(CCCc2ccccc2)ccc1CN1CCNCC1 473109838 SXZNZQCFINDBDS-UHFFFAOYSA-N 310.441 2.973 10 1 DFCF Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2ccccc21 28572336 KHZWCWOAQSMPGM-WQLSENKSSA-N 308.366 2.552 10 1 DFCF Oc1ccc(C/N=N/c2ncc(Br)cn2)c(O)c1 169690622 RCSDCKOQIASHBX-FOCLMDBBSA-N 309.123 2.934 10 1 DFCF O=C(/C=C/c1cc(O)c(O)c(F)c1)NCCc1ccccc1 64251752 DEUQAHOXBLYMNA-VOTSOKGWSA-N 301.317 2.609 10 1 DFCF CC[C@H](O)[C@H]1Cc2c(C)cc3c(c2O1)C(=O)c1ccccc1C3=O 5887302 XCZPSKZKNPMOFK-JKSUJKDBSA-N 322.360 2.845 10 1 DFCF COc1ccc([C@@H]2CC(=O)c3cc(OC)c(O)c(O)c3O2)cc1 14728471 CEKYFXJLACPHJE-ZDUSSCGKSA-N 316.309 2.822 10 1 DFCF biogenic Cc1ccc2c(n1)NC(=O)[C@](Cc1ccccc1)(N=[N+]=[N-])C2=O 73351379 ZWKJGWRGUGNOSE-MRXNPFEDSA-N 307.313 2.817 10 1 DFCF COc1cccc2c1C(=O)c1c(cc(O)c(C(C)=O)c1C)C2=O 143628139 HNSNMEDMIYJOSR-UHFFFAOYSA-N 310.305 2.687 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(Cl)c(F)c1 42921759 JHNMZEFCLAEZMM-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF O=C1OC(=C(O)c2ccc(O)cc2)C=C1c1ccc(O)c(O)c1 2356453506 ANPVJUJRNIWLTG-UHFFFAOYSA-N 312.277 2.670 10 1 DFCF COc1cc(O)c2c(c1C)C(=O)N(c1ccc3[nH]ncc3c1)C2 28950823 BJRMXXGRISAPAC-UHFFFAOYSA-N 309.325 2.746 10 1 DFCF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C=C[C@H](N=[N+]=[N-])[C@H]3[C@H]1C5 26024588 FBBMAWBAUOCSMA-ZLLBLOTGSA-N 310.357 2.516 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(O)c(O)c1 95590469 AXDYOHZVYWMBOG-OAHLLOKOSA-N 312.325 2.501 10 1 DFCF COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1O 3203949 SMOFGXHPWCTYQD-UHFFFAOYSA-N 300.266 2.585 10 3 DFCF biogenic,in-vitro CC1=NN(C(=O)CN2CCCCC2)[C@@H](c2ccccc2O)C1 653729195 BBYKISRIEPFPOC-OAHLLOKOSA-N 301.390 2.527 10 1 DFCF CC[C@@H]1C(=O)N(CC2CC2)c2sc3ccccc3[n+]2C1=O 100972969 GBDOWDVYKYOQEG-LLVKDONJSA-N 301.391 2.612 10 1 DFCF COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)C2=O)c(OC)c1 957811113 VOWXVAXYBFOWEG-SFHVURJKSA-N 312.321 2.898 10 1 DFCF CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)OCC)N2 94504 FJJLPVNOCGEDMO-WWGRRREGSA-N 315.369 2.880 10 3 DFCF C[n+]1cc2c(O)c(O)ccc2c2ccc3cc(O)c(O)cc3c21 101288225 PESFOXRZSOTTCW-UHFFFAOYSA-O 308.313 2.793 10 1 DFCF CC(C)Cc1cc(I)c(O)c(CN)c1 29216687 SMICKWCPOHLQNH-UHFFFAOYSA-N 305.159 2.654 10 1 DFCF O=C1c2ccccc2C(=O)c2c(Br)cc(O)cc21 98083716 KYNZJDCJGYIDFE-UHFFFAOYSA-N 303.111 2.930 10 1 DFCF COc1c(O)cc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 14725300 FWLZPQXTGUAQNZ-LLVKDONJSA-N 313.353 2.564 10 1 DFCF biogenic CC1=C(O)[C@H]2C(=O)C[C@H](c3ccc(O)c(O)c3)O[C@H]2C(C)=C1O 95910290 LSKGGQUKANSNCD-CPUCHLNUSA-N 318.325 2.791 10 1 DFCF biogenic,in-vitro CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(N)nc3)cc21 205029160 ZZIUHNRGQROMCF-UHFFFAOYSA-N 305.341 2.542 10 1 DFCF CCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29481353 UOOUTXUBCNKZJO-KMFMINBZSA-N 312.413 2.794 10 1 DFCF O=c1[nH]c2cc([N+](=O)[O-])ccc2n1Cc1cc(Cl)ccc1O 29394968 NZJTZRZJZGKQHI-UHFFFAOYSA-N 319.704 2.645 10 1 DFCF CNC1=NC(=O)/C(=C/c2ccn(-c3ccccc3F)c2)S1 73140548 FQHJLQAZAHQQIZ-JYRVWZFOSA-N 301.346 2.806 10 1 DFCF O=C1O/C(=C/c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1 238787726 ZGCIQJGTALTNIG-RIYZIHGNSA-N 312.277 2.670 10 1 DFCF CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 169296465 BXECKKNQWBXRLS-ISTVAULSSA-N 304.302 2.532 10 1 DFCF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1O 587400753 SSTCWPWPGNYINN-CQSZACIVSA-N 315.325 2.704 10 1 DFCF Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1 653842846 LEZBSAGRBMBCGD-UHFFFAOYSA-N 321.340 2.731 10 1 DFCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(C(N)=O)cc1 169330043 AWKWBGDUEQKURO-FMQUCBEESA-N 321.340 2.988 10 1 DFCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2cc1OC 204318578 ZDIBUWHZTNCSON-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1O 13586384 JODHJCLRVCCKFQ-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF O=C1NC(=S)SC1=Cc1cc(Br)ccc1O 1857623079 ARKQCBSGSQCIEZ-UHFFFAOYSA-N 316.201 2.644 10 1 DFCF [N-]=[N+]=NCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 58631872 RJFYHVFZGWNOBV-UHFFFAOYSA-N 318.362 2.814 10 1 DFCF in-vitro COc1c(O)c(O)cc2c(=O)c(O)c(-c3ccccc3)oc12 238774251 SOAAVOVYHYIZBK-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[N@@+]1(C)CC2 257440151 HVZWFRMKXRRMBK-IFXJQAMLSA-O 314.361 2.603 10 1 DFCF endogenous,in-man Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O 3834098 DXWSNAMLCDXRDY-UHFFFAOYSA-N 310.103 2.906 10 1 DFCF COc1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)cc(O)c1O 587785178 IOSVSUBPYWGOKY-IHWYPQMZSA-N 318.720 2.597 10 1 DFCF CC(=O)O[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@H](N=[N+]=[N-])C1 27654030 YIWZYVGBLPFYJW-GUTXKFCHSA-N 303.318 2.545 10 1 DFCF COc1cc2c3c(c1[N+](=O)[O-])CCN=C3c1ccccc1C2=O 66100911 KBWOYCFFCIHYNB-UHFFFAOYSA-N 308.293 2.541 10 1 DFCF COc1cc(/C=C/c2ccc(OC)c(O)c2O)cc(OC)c1O 49112079 ONHNSKVGTKZAHX-SNAWJCMRSA-N 318.325 3.000 10 1 DFCF CC1=NN(C(=O)CN2CCCC[C@H]2C)[C@H](c2ccccc2O)C1 84616124 UZDQLLPGHXIQRR-ZBFHGGJFSA-N 315.417 2.916 10 1 DFCF O=C(Nc1ccccc1)N1CCN(Cc2ccccc2O)CC1 137863664 BBPFHRNBSFZQJQ-UHFFFAOYSA-N 311.385 2.742 10 1 DFCF CC1=NN(C(=O)CN2CCCC[C@@H]2C)[C@@H](c2ccccc2O)C1 195510325 UZDQLLPGHXIQRR-GOEBONIOSA-N 315.417 2.916 10 1 DFCF C[C@H](CO)n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 72141431 VKQOSPOBYGWWCF-LLVKDONJSA-N 305.333 2.766 10 1 DFCF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2O)N1 34951614 XAVCGIXOYOYBPX-RDJZCZTQSA-N 322.364 2.650 10 1 DFCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@@H](C2)NCC3 238758553 WINSPNLWSPVUAI-GFCCVEGCSA-N 313.353 2.525 10 1 DFCF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2O)N1 73278771 XAVCGIXOYOYBPX-NVXWUHKLSA-N 322.364 2.650 10 1 DFCF O=C(c1cccnc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 95552629 YBYJPMVJWIFATD-UHFFFAOYSA-N 303.273 2.681 10 1 DFCF COc1ccc([C@H]2Oc3c(O)c(O)cc(O)c3C=C2O)cc1 2356839061 MFRMLGJHAYMVRW-OAHLLOKOSA-N 302.282 2.845 10 1 DFCF CCOC(=O)N=Nc1c(O)n(CC(=O)OC)c2ccccc12 253986943 QWKVBYJIRSJYHZ-UHFFFAOYSA-N 305.290 2.760 10 1 DFCF CCCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 13454701 MUSZNTFYBZBCCZ-UHFFFAOYSA-N 312.321 2.970 10 1 DFCF O=S(=O)(Nc1cccnc1)c1cc(Cl)cc(Cl)c1O 64645806 UFMJEJYNFWHVDB-UHFFFAOYSA-N 319.169 2.895 10 1 DFCF O=C(O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1221514 ROQWAQIFXDUUKU-UHFFFAOYSA-N 303.299 2.568 10 1 DFCF Oc1ccc(Br)cc1Cn1nnc2ccccc21 4983290 PITAMJJXABZOQK-UHFFFAOYSA-N 304.147 2.948 10 3 DFCF Cc1ccc2cccc(OS(=O)(=O)CCCN=[N+]=[N-])c2n1 653791433 ZORZYDIDQUNDSS-UHFFFAOYSA-N 306.347 2.952 10 1 DFCF CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 13142360 UQDAGNYDBCICLZ-XEZPLFJOSA-N 314.385 2.707 10 1 DFCF Cn1c2c(c3ccc(NC(=O)O)cc3c1=O)C(=O)c1ccccc1-2 169710349 USBQVDAUBHMCAL-UHFFFAOYSA-N 320.304 2.840 10 1 DFCF COc1cc2c(=O)c(-c3ccc(O)cc3)coc2c(O)c1O 14759298 PONYLIYJEDIVMA-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[N+]1(C)CC2 13411127 HVZWFRMKXRRMBK-KTQQKIMGSA-O 314.361 2.603 10 1 DFCF endogenous,in-man CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)OCC)N2 4140552 FJJLPVNOCGEDMO-XJKCOSOUSA-N 315.369 2.880 10 3 DFCF CN(CCO)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 587192757 BTWIMCSQDXZXAF-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF Cc1cc2c(cc1F)[C@@H](c1ccc(C(=O)O)cc1O)NCC2 962380651 XPEDTIIPOHJPSW-MRXNPFEDSA-N 301.317 2.773 10 1 DFCF Cc1ccc(C)c([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1O 962930426 XZSKSVIKMMMKBK-GOSISDBHSA-N 324.424 2.946 10 1 DFCF O=C(c1ccccc1)c1noc2c1C(=O)c1ccccc1C2=O 45349710 HGXZMYBABPDKNN-UHFFFAOYSA-N 303.273 2.681 10 1 DFCF Nc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 653836214 IWPFYKIFKHNHAS-UHFFFAOYSA-N 321.384 2.792 10 1 DFCF Cn1c2c(c3ccccc31)CCc1cc3c(O)nc(O)nc3nc1-2 587557167 GQENJNCBGYTKBR-UHFFFAOYSA-N 318.336 2.693 10 1 DFCF O=c1cc(CNCc2cccc(F)c2)oc2ccc(O)c(O)c12 71340935 SQLGRYNYBHUIDJ-UHFFFAOYSA-N 315.300 2.633 10 1 DFCF CNC(=O)CCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 95614988 NTSUYUWERKMXIY-UHFFFAOYSA-N 302.349 2.942 10 1 DFCF Cc1cc(C)c(O)c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962915157 AUCQVVAKAVKCGB-HOTGVXAUSA-N 315.344 2.836 10 1 DFCF CC1=NN(C(=O)CN2CCCC[C@@H]2C)[C@H](c2ccccc2O)C1 84616126 UZDQLLPGHXIQRR-HOCLYGCPSA-N 315.417 2.916 10 1 DFCF O=C1c2ccccc2C(=O)c2oc(C(=O)N3CCCCC3)cc21 1857548603 RNJQQUREALOXBR-UHFFFAOYSA-N 309.321 2.681 10 1 DFCF CN(CCO)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587192848 GQBDJAQXDGCPOI-UHFFFAOYSA-N 303.312 2.937 10 1 DFCF COc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 14728361 RMJKSMSYIZHFCO-CYBMUJFWSA-N 302.282 2.519 10 1 DFCF biogenic C[C@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccccn1 1857582449 RGLAHFSQZQSICB-LBPRGKRZSA-N 322.368 2.565 10 1 DFCF COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[N@+]1(C)CC2 257440153 HVZWFRMKXRRMBK-LIRRHRJNSA-O 314.361 2.603 10 1 DFCF endogenous,in-man CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555478 LIXTYEKQWKIPSL-SFHVURJKSA-N 318.380 2.897 10 1 DFCF CC1=C[C](O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)OC2=C1 2356827488 RJRJJMJDQDUDQQ-UHFFFAOYSA-N 301.274 2.735 10 1 DFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2)N1 103073318 TYGBDKYDQUSCMN-CQSZACIVSA-N 318.332 2.977 10 1 DFCF CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)OCC)N2 4140553 FJJLPVNOCGEDMO-WOSRLPQWSA-N 315.369 2.880 10 1 DFCF COc1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2n1 587785543 NKFPTZMWOOIGEH-HYXAFXHYSA-N 313.313 2.557 10 1 DFCF CC[C@H]1C(=O)N(CC2CC2)c2sc3ccccc3[n+]2C1=O 100972967 GBDOWDVYKYOQEG-NSHDSACASA-N 301.391 2.612 10 1 DFCF Cc1c(Br)c(C)c(CN)c(O)c1Br 29216388 SVERNBPWDSEZNK-UHFFFAOYSA-N 309.001 2.993 10 1 DFCF O=C1c2cccc(O)c2C(=O)c2c(-c3ccc(F)cc3)noc21 84711673 CUTNIJKZIMVAGF-UHFFFAOYSA-N 309.252 2.962 10 1 DFCF CN(CCO)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587192789 CVGSPMYGJDTINH-UHFFFAOYSA-N 303.312 2.937 10 1 DFCF O=C1C(=O)[C@H](c2ccccc2)C(=O)c2oc3cc(O)c(O)cc3c21 169720900 HZDHAZJZUNMSHX-ZDUSSCGKSA-N 322.272 2.576 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(Cl)c1 43011297 GIWDZOFKUWCBCJ-UHFFFAOYSA-N 303.701 2.547 10 1 DFCF Cc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)n2c1 96917486 PRJGSODPEJDTAJ-UHFFFAOYSA-N 322.412 2.947 10 1 DFCF CC=C1CN2[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356412859 DRGANSOIESOOTK-HQJJXPTPSA-N 324.424 2.740 10 1 DFCF O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 45354108 LDSOJIJFWQGRNE-HNQUOIGGSA-N 312.277 2.786 10 1 DFCF CN(CCO)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 587192867 HOFHZVDZYSZASW-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586947747 DNBJNBQGXZTGMC-UHFFFAOYSA-N 317.370 2.615 10 1 DFCF O=c1cc(/C=C/c2cc(O)c(O)c(O)c2)oc2ccc(O)cc12 103186559 MKGQIDVZULIUHP-HNQUOIGGSA-N 312.277 2.786 10 1 DFCF C[C@H]1C[C@@H](C)CN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1 13677684 WWFAZWBXGOHGTK-PHIMTYICSA-N 322.361 2.557 10 1 DFCF Cc1ccc(C=C[C@@H](c2ccc(O)c(O)c2)[C@@H](O)CO)cc1 2356572838 PUDJVOUPUJHFDP-YJBOKZPZSA-N 300.354 2.556 10 1 DFCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)O 2356872910 ZBZPAMWHBRDTDJ-OLZOCXBDSA-N 307.390 2.724 10 1 DFCF CC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)csc1C2=O 27525909 CEGVHWHSSNDDPT-UHFFFAOYSA-N 304.348 2.990 10 1 DFCF Cc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)C(O)=C2 2356820987 FQKFXQCQNDFFMG-MRXNPFEDSA-N 302.282 2.850 10 1 DFCF CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555477 LIXTYEKQWKIPSL-GOSISDBHSA-N 318.380 2.897 10 1 DFCF CN1CCc2cc(O)c(O)c3c2[C@@H](C1)CN3c1ccc(F)cc1 28013871 QGDRDWYAKNWQPW-LBPRGKRZSA-N 314.360 2.960 10 1 DFCF O=C(/C=C/c1cc(O)c(O)cc1F)NCCc1ccccc1 64491717 PAZLRVYFFHVBIH-VOTSOKGWSA-N 301.317 2.609 10 1 DFCF Oc1ccc(CCc2c(O)c(O)c3c(c2O)CCCC3)cc1O 238743331 WIAOOJALMLCRFP-UHFFFAOYSA-N 316.353 2.879 10 1 DFCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cc(C)ccc1O 1857560676 IOPMTSXMVFVLMV-UHFFFAOYSA-N 324.428 2.933 10 1 DFCF COc1cccc2c1CCC[C@@H]2NC(=O)c1cccc(O)c1O 114430003 CCJFBUOHWPLVNL-AWEZNQCLSA-N 313.353 2.914 10 1 DFCF COc1ccc([C@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1OC 2356829354 IXPQVGYEEBKAPR-CQSZACIVSA-N 316.309 2.822 10 1 DFCF CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNC=O 71405061 ATDLUDUTIYHLJI-UHFFFAOYSA-N 311.429 2.631 10 1 DFCF O=C(/C=C/c1ccc(O)c(O)c1)O/C=C/c1cc(O)cc(O)c1 85493793 FOWPKLFOIDTRMY-WCOVXTEMSA-N 314.293 2.736 10 1 DFCF biogenic,in-vitro O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(O)cc1 95602118 DEHXJVMBVRMECV-XBXARRHUSA-N 300.310 2.603 10 1 DFCF Nc1ccc(Oc2ccc3nc([C@@]4(N)CCOC4)[nH]c3c2)cc1 587248323 MYAGCYNVSURQSY-QGZVFWFLSA-N 310.357 2.512 10 1 DFCF Oc1ccc2c(c1O)CC[C@@H](c1ccccc1)[C@@H]2C1=NCCN1 29219097 CYHTVBRMGKRUQC-GUYCJALGSA-N 308.381 2.913 10 1 DFCF Nc1ccc(Oc2ccc3[nH]c(-c4ncc(N)cn4)nc3c2)cc1 587252255 BBUVSEWWLAHWOK-UHFFFAOYSA-N 318.340 2.977 10 1 DFCF CCC[n+]1c2c(n(CC(C)C)c1C)C(=O)c1ccccc1C2=O 1857615896 AZVAOFZNFQIJGF-UHFFFAOYSA-N 311.405 2.925 10 1 DFCF COc1cc2c(cc1O)O[C@H](c1ccc(O)c(O)c1)CC2=O 14728369 LHUSIUJRMSQNJO-AWEZNQCLSA-N 302.282 2.519 10 1 DFCF biogenic CC1=C(O)[C@@H]2C(=O)C[C@H](c3ccc(O)c(O)c3)O[C@@H]2C(C)=C1O 2356551604 LSKGGQUKANSNCD-JKIFEVAISA-N 318.325 2.791 10 1 DFCF CCOC(=O)n1c(O)c(N=NC(N)=S)c2cc(C)ccc21 377871802 VSFGLACRFIEPIO-UHFFFAOYSA-N 306.347 2.987 10 1 DFCF O=C(OCCCCc1ccccc1)c1cc(O)c(O)c(O)c1 13513667 RZBZARNZHJAAIA-UHFFFAOYSA-N 302.326 2.983 10 1 DFCF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587449939 KLROVHNWJFDUMU-KPZWWZAWSA-N 312.321 2.769 10 1 DFCF COc1cc(-c2ccc3c(c2)C=C[C@](C)(CO)O3)cc(O)c1O 15252169 PYBVCMOUSOSDMJ-GOSISDBHSA-N 314.337 2.930 10 1 DFCF biogenic COc1ccc(NCCCCN)c2c1C(=O)c1ccccc1C2=O 28769477 IINDTLBZYDQWDA-UHFFFAOYSA-N 324.380 2.621 10 1 DFCF COc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)cc(O)c1O 587785185 IRTTVANPKFEPPJ-IHWYPQMZSA-N 301.277 2.687 10 1 DFCF O=c1cc(O)cc2oc(/C=C/c3ccc(O)c(O)c3)cc(O)c1-2 169692718 PWZIFIYLOFHSGO-HNQUOIGGSA-N 312.277 2.737 10 1 DFCF Cc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)C(O)=C2 2356820986 FQKFXQCQNDFFMG-INIZCTEOSA-N 302.282 2.850 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1cccc(Cl)c1C 253978809 ZRCTWNUFYGPSRA-SNVBAGLBSA-N 309.782 2.562 10 3 DFCF O=C1CS[C@H](c2ccc(O)cc2O)N1c1ccc(O)cc1 96915207 ALWYCZLPKGRJMZ-OAHLLOKOSA-N 303.339 2.582 10 1 DFCF C=C/[N+]([O-])=N/CCCCCCCCn1cc(C(C)(C)O)nn1 1857613644 BUFWYIUJFBXBHJ-SILNSSARSA-N 309.414 2.952 10 1 DFCF CC1=C(C(=O)N2CCOCC2)Sc2cc(Cl)ccc2N1 103220035 GGCRATLGWQJWOI-UHFFFAOYSA-N 310.806 2.948 10 1 DFCF CC1=NN(C(=O)CN2CCC[C@H](C)C2)[C@@H](c2ccccc2O)C1 653729253 QOTMVBVSIZDIIU-XJKSGUPXSA-N 315.417 2.773 10 1 DFCF O=C1O[C@@H](c2ccc(O)c(O)c2)C/C1=C\c1ccc(O)c(O)c1 72112715 UBOOMSUOPIZYEU-QHQPLOKBSA-N 314.293 2.581 10 1 DFCF in-vitro CCn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 28460691 RSGQNTXPLZQTCP-UHFFFAOYSA-N 319.316 2.962 10 1 DFCF CN1CCc2cc3c(c4c2[C@H]1Cc1cc(O)c(O)cc1-4)OCO3 2356329915 CLMZZZSMLRGUJI-GFCCVEGCSA-N 311.337 2.579 10 1 DFCF COC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49112351 UTYMOZJIQPIDGC-UHFFFAOYSA-N 303.679 2.661 10 1 DFCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccco1 96922570 XNMPHWYNUPTLKW-UVTDQMKNSA-N 310.309 2.629 10 1 DFCF C[C@H](O)c1cc2c(s1)C(=O)c1scc([C@H](C)O)c1C2=O 1652348 SBHSPVCXPBMFDR-WDSKDSINSA-N 308.380 2.692 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(Cl)ccc1F 43024656 JSDKOSHAGVSPRD-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF CC(C)Cc1ccc([C@@H](C)C(=O)OCO/N=[N+](\[O-])N(C)C)cc1 13645622 GUPNQDAVUGSUQK-JPWUFHEYSA-N 323.393 2.860 10 1 DFCF Nc1ccc(CCN2CCC(C(=O)O)(c3ccccc3)CC2)cc1 64634046 MECKFKIUTIDCPC-UHFFFAOYSA-N 324.424 2.930 10 1 DFCF in-vitro CC[C@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(N(C)C)cc1 2356772892 LRBSKRXXNDZCPJ-LNLFQRSKSA-N 301.478 2.963 10 1 DFCF CO[C@@H]1C(=O)O[C@H](C)c2c(O)c(O)c3c(c21)CCC(C)(C)O3 13460560 VKCBFLWECIFSKY-UOWDBTKRSA-N 308.330 2.507 10 1 DFCF biogenic O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 3596200 ITPNLPJRQLRVSC-HNQUOIGGSA-N 312.277 2.786 10 1 DFCF COc1cc(OC)c(OC)c2c1CCc1ccc(O)c(O)c1-2 14650690 YKNPNQJMTYXYGI-UHFFFAOYSA-N 302.326 2.889 10 1 DFCF biogenic Cc1cc(C)c([C@@H]2C(=O)N3C[C@@H](C)[C@@H](C)CN3C2=O)c(C)c1 299847886 WMNLWBGBTFLPMK-MIFYACCESA-N 300.402 2.567 10 1 DFCF COc1c(-c2cccc(O)c2)oc2cc(O)c(O)cc2c1=O 238754908 JEXKRQXUYIHLGO-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF Oc1nc(O)c2ccc(-c3ccc(-n4cccc4)cc3)nc2n1 587558263 PTGZQCMYNSZKKJ-UHFFFAOYSA-N 304.309 2.894 10 1 DFCF C[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 14764893 OTYDQANROURYGR-QMMMGPOBSA-N 322.316 2.638 10 1 DFCF biogenic O=C1Nc2c(c(=O)oc3ccccc23)[C@H](c2ccccc2O)N1 96931705 BXUPUZUBQTWZRM-AWEZNQCLSA-N 308.293 2.723 10 1 DFCF COc1cccc2c1CCC[C@H]2NC(=O)c1cccc(O)c1O 114430005 CCJFBUOHWPLVNL-CQSZACIVSA-N 313.353 2.914 10 1 DFCF O=c1[nH]c(/N=N/Cc2ccc3c(c2)OCO3)nc2ccccc12 169693934 RVSBPVQFXWKNNF-LVZFUZTISA-N 308.297 2.936 10 1 DFCF CCOC(=O)Cn1c(O)c(/N=N/C(=O)OC)c2ccccc21 101825140 ANTXDGDQNMCISH-FOCLMDBBSA-N 305.290 2.760 10 1 DFCF CC(C)Oc1ccc(CN=[N+]=[N-])cc1C(=O)CC(=O)C(=O)O 13488692 QAULBHFWLKFOEL-UHFFFAOYSA-N 305.290 2.511 10 1 DFCF Cc1c(-c2oc3cc(O)ccc3c(=O)c2O)ccc(O)c1O 1857613851 GPMFRSAFSFVRIC-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF Oc1cc2c(cc1O)[C@@H]1C[C@@H](O)C[C@@H](c3ccccc3)N1CC2 1857603558 KEABEMRWEGQHLI-XIRDDKMYSA-N 311.381 2.893 10 1 DFCF N[C@H]1CC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587246086 CATIBEWJSMMQCR-AAEUAGOBSA-N 317.348 2.543 10 1 DFCF CCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@H]1C2 58576859 UOOUTXUBCNKZJO-QRTARXTBSA-N 312.413 2.794 10 1 DFCF CC(=O)N[C@@H](c1ccco1)c1cc(F)c2cccnc2c1O 36380887 KPCMLLPYYKTMMV-CQSZACIVSA-N 300.289 2.898 10 3 DFCF Cc1noc(-c2ccc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)n1 96928819 CHTBEUNDXYYXMC-VIFPVBQESA-N 318.268 2.820 10 1 DFCF O=C(CCCc1ccc(O)c(O)c1)C[C@@H](O)Cc1ccccc1 49784294 IKYDIANNIUOUBU-KRWDZBQOSA-N 314.381 2.983 10 1 DFCF CN1CCc2cc3c(c4c2[C@@H]1Cc1cc(O)c(O)cc1-4)OCO3 95099641 CLMZZZSMLRGUJI-LBPRGKRZSA-N 311.337 2.579 10 1 DFCF biogenic,in-vitro O=C(Nc1nnc(-c2cccc(O)c2O)s1)c1ccccc1 1772605593 PVABSKPKPZZLNP-UHFFFAOYSA-N 313.338 2.869 10 1 DFCF O=C1c2ccccc2-c2nc(N3CCNCC3)c3ccccc3c21 66079465 YTZXWZQNODGILD-UHFFFAOYSA-N 315.376 2.856 10 1 DFCF CCCCC[C@H](O)CC(=O)CCc1cc(O)c(O)c(OC)c1 238748559 LLELTCZDTNTCBQ-ZDUSSCGKSA-N 310.390 2.939 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)cccc1Cl 42922647 HVEVJFNVVDKQDX-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1ccccc1O 1857601052 GZYUXUDZVJQRAR-UHFFFAOYSA-N 310.401 2.624 10 1 DFCF CNC1=NC(=O)/C(=C/c2cnn(-c3ccc(F)cc3)c2C)S1 73386492 NPYKTDNPVWWGGP-QPEQYQDCSA-N 316.361 2.510 10 1 DFCF COc1ccc(OC)c2c3c([nH]c12)C(=O)c1ccccc1C3=O 299826693 NBMNTHREBNVTME-UHFFFAOYSA-N 307.305 2.961 10 1 DFCF CC(=O)c1ccc(O)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c1 1772597181 QULDSFUMGLLKGW-WUKNDPDISA-N 319.342 2.658 10 1 DFCF COc1cc2c(cc1O)O[C@@H](c1ccc(O)c(O)c1)CC2=O 14728370 LHUSIUJRMSQNJO-CQSZACIVSA-N 302.282 2.519 10 1 DFCF biogenic,in-vitro C1=CC=C2NCCC/N=C3\C=CC=CC=C3NCCC/N=C\2C=C1 104162467 OEHCVRNWMIVHJX-URMAKSPSSA-N 320.440 2.861 10 1 DFCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1[N+](=O)[O-] 49802850 XCBMVNPOJRUEEH-SOFGYWHQSA-N 300.270 2.658 10 1 DFCF COc1ccc(C2=Cc3cc(O)c(O)cc3OC2)c(OC)c1O 14645858 SSQZVXWYVVNXKO-UHFFFAOYSA-N 316.309 2.754 10 1 DFCF biogenic,in-vitro CN(CCO)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587192767 CCYLAGBEVYKDCW-UHFFFAOYSA-N 303.312 2.937 10 1 DFCF CN(CCO)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587193313 YICKASNLLZKVSD-UHFFFAOYSA-N 320.755 2.846 10 1 DFCF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587235116 LIFRMJSDHQYUBG-KBPBESRZSA-N 322.368 2.787 10 1 DFCF O=C1O/C(=C(/O)c2ccc(O)cc2)C=C1c1ccc(O)c(O)c1 238754715 ANPVJUJRNIWLTG-FOCLMDBBSA-N 312.277 2.670 10 1 DFCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)NCC3 2356732082 WINSPNLWSPVUAI-LBPRGKRZSA-N 313.353 2.525 10 1 DFCF O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)c(O)c1 653912917 WSVHNJHYLLZVOR-XBXARRHUSA-N 300.310 2.603 10 1 DFCF CCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29481356 UOOUTXUBCNKZJO-FRFSOERESA-N 312.413 2.794 10 1 DFCF COc1cc(-c2coc3cc(O)ccc3c2=O)cc(O)c1O 137499742 HBGYGRWDBPZDTD-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF COc1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)cc(O)c1O 587786009 RBLWHVARRNGUSV-NSCUHMNNSA-N 318.720 2.548 10 1 DFCF O=C1c2ccccc2C(=O)c2cc(Br)c(O)cc21 34770491 IGWDYKRSAONUIG-UHFFFAOYSA-N 303.111 2.930 10 1 DFCF CC[C@@H](C)c1cc(I)c(O)c(CN)c1 29220117 AGZBETWYUQFGQO-SSDOTTSWSA-N 305.159 2.969 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1[C@H]1CCCc2ccccc21 45290116 CSAKZFWFFIGGRP-ZDUSSCGKSA-N 309.321 2.771 10 1 DFCF O=C1NC(=O)[C@@H](Sc2ccc3cc(O)c(O)cc3c2)S1 29218468 ORXYPXGYMOVMEE-LBPRGKRZSA-N 307.352 2.652 10 1 DFCF C[C@@H]1Cc2ccc3c(c2[C@@H](O)C1)C(=O)c1cccc(O)c1C3=O 14688658 OBCFJTYDPHCLMZ-OTYXRUKQSA-N 308.333 2.783 10 1 DFCF biogenic CN1CCc2c(cc(O)c(O)c2F)[C@H](c2ccc(O)cc2)C1 26398106 VAYILERACYVXPO-AWEZNQCLSA-N 303.333 2.562 10 1 DFCF OCc1ccc(-c2c(O)nc(O)c3cc4ccccc4nc23)o1 2356342446 ANWPIKJRRHBPGC-UHFFFAOYSA-N 308.293 2.947 10 1 DFCF COc1ccc(/C=C2\SC(c3ccc[n+](C)c3)=NC2=O)cc1 299821915 CLHSPLFXVSARQW-GDNBJRDFSA-N 311.386 2.581 10 1 DFCF O=C(O)[C@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1ccccc1O 20583484 DVHYEMIGYSIVIF-DLBZAZTESA-N 323.348 2.920 10 1 DFCF CCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 96273319 KHNNXQDVLQHYRS-UHFFFAOYSA-N 314.293 2.976 10 1 DFCF COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(O)c3O)O2)cc1 2356619622 MFNNBYIVJIVZFM-LBPRGKRZSA-N 316.309 2.822 10 1 DFCF COc1ccc(CS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1 169337024 MHJXZBKJBVGXFH-CMDGGOBGSA-N 320.366 2.692 10 1 DFCF O=C(Cn1c(C(=O)O)cc2cc(O)c(O)cc21)c1ccccc1 84690876 KGNDSSNOKGLXAQ-UHFFFAOYSA-N 311.293 2.634 10 1 DFCF C1=CC=C2NCCCN=C3C=CC=CC=C3NCCCN=C2C=C1 299816018 OEHCVRNWMIVHJX-UHFFFAOYSA-N 320.440 2.861 10 1 DFCF O=C1O/C(=C\c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1 85637433 ZGCIQJGTALTNIG-ZSOIEALJSA-N 312.277 2.670 10 1 DFCF endogenous,in-man O=C1c2ccc(Br)cc2C(=O)c2cc(O)c(O)cc21 95576827 KYLYKQAFRDSXIV-UHFFFAOYSA-N 319.110 2.636 10 1 DFCF COc1ccc2c(c1)C=C1C(=O)N(c3ccccc3)N=C1CO2 103257037 HLDXIDRRWSXPSB-UHFFFAOYSA-N 306.321 2.874 10 1 DFCF CC(=O)N1N[C@@H](c2ccc(O)cc2O)C[C@H]1c1ccc(C)cc1 28333434 CJLFZVLYTVTOKP-SJORKVTESA-N 312.369 2.945 10 1 DFCF COC(=O)c1c(CCc2ccc(OC)cc2)ccc(O)c1O 13328317 RLPJPBJNEONWJN-UHFFFAOYSA-N 302.326 2.678 10 1 DFCF biogenic CC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1cccnc1C2=O 40860681 ZJASYHMTXHTYRB-UHFFFAOYSA-N 324.723 2.966 10 1 DFCF Oc1ccc(Cc2cc(O)c(O)cc2Br)cc1O 40424734 KMDCNITUEFJJNH-UHFFFAOYSA-N 311.131 2.862 10 1 DFCF COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1OC 13732208 RNZTZLFUUAUBOO-UHFFFAOYSA-N 303.314 2.505 10 1 DFCF Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCO2 299849713 RHQMZJQZXSCFLW-UHFFFAOYSA-N 323.312 2.892 10 1 DFCF COc1ccc(CCCc2ccc(O)c(O)c2O)cc1OC 1772600662 QVWDJYVNWXAIIH-UHFFFAOYSA-N 304.342 2.996 10 1 DFCF COc1cc2oc(-c3ccccc3)c(OC)c(=O)c2c(O)c1O 14757289 ROUBTGBVCGLQRT-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF biogenic COc1cc(O)cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 14728362 RMJKSMSYIZHFCO-ZDUSSCGKSA-N 302.282 2.519 10 1 DFCF biogenic CCn1c(=O)c2cn[nH]c2c2ccc(-c3cncc(OC)c3)cc21 205102529 BGVMDQYRLQJRQS-UHFFFAOYSA-N 320.352 2.968 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1cccc(Cl)c1C 6825132 ZRCTWNUFYGPSRA-GLTXTHCDSA-N 309.782 2.562 10 1 DFCF O=C(O)c1cccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)c1 84733166 OZUWFBGVKCANNG-UHFFFAOYSA-N 313.265 2.643 10 1 DFCF CCOC(=O)/N=N/c1c(O)n(CC(=O)OC)c2ccccc12 101674580 QWKVBYJIRSJYHZ-FOCLMDBBSA-N 305.290 2.760 10 1 DFCF CCOC(=O)[C@H](NC(=O)c1ccc(/N=N/N(C)C)cc1)C(C)C 17217829 XQUIYEIYSSJMAB-IWHJNQCMSA-N 320.393 2.564 10 1 DFCF CN(C)c1ccc(/N=N\c2ccc(S(N)(=O)=O)cc2)cc1 100375666 NZUPTIDAKYYKGC-MSUUIHNZSA-N 304.375 2.815 10 1 DFCF COc1ccc(/C=C\c2cc(O)c(OC)c(OC)c2)c(O)c1O 43059742 LCDMBYQBDZLNQJ-PLNGDYQASA-N 318.325 3.000 10 1 DFCF CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 13142359 UQDAGNYDBCICLZ-ZENOOKHLSA-N 314.385 2.707 10 1 DFCF COc1cc([C@H]2Oc3c(O)c(O)cc(O)c3C=C2O)ccc1O 2356768777 WAEVERGFBDIDOH-OAHLLOKOSA-N 318.281 2.550 10 1 DFCF CCCc1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857628905 DVSFYDHMTCXHLQ-UHFFFAOYSA-N 302.311 2.779 10 1 DFCF CC(=O)c1c(O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O 1663413 LNFYTBXXKKKLLF-UHFFFAOYSA-N 319.316 2.862 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(O)c(O)c1 95590468 AXDYOHZVYWMBOG-HNNXBMFYSA-N 312.325 2.501 10 1 DFCF COc1c(O)cc2c3c1-c1c(ccc(O)c1O)C[C@@H]3N(C)CC2 14725302 FWLZPQXTGUAQNZ-NSHDSACASA-N 313.353 2.564 10 1 DFCF biogenic Cc1cc2c(c3c1O[C@H](C(C)(C)O)C3)C(=O)c1ccccc1C2=O 13383133 FUYVCITUFJCEBT-HNNXBMFYSA-N 322.360 2.845 10 1 DFCF biogenic CCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29253795 QVPSRXJPGZCFRM-GFCCVEGCSA-N 312.321 2.707 10 1 DFCF C[C@@H](F)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587123153 HXWXUASFRALVMR-CLAHSXSESA-N 323.327 2.696 10 1 DFCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccnc3OC)cc21 205101004 UHMVOYNBWDTODY-UHFFFAOYSA-N 320.352 2.968 10 1 DFCF COc1ccc(CCCc2cc(O)c(OC)c(O)c2)c(O)c1O 66259186 RBSLQVRZZJZYDP-UHFFFAOYSA-N 320.341 2.702 10 1 DFCF CN(C)c1ccc(CNc2ccc(C3=NNC(=O)CC3)cc2)cc1 40504604 XTXHNDTZOHBHRJ-UHFFFAOYSA-N 322.412 2.979 10 1 DFCF COc1ccccc1OCCNCCCc1ccc(O)c(O)c1 1857581829 AZZXOCLNECQCLA-UHFFFAOYSA-N 317.385 2.708 10 1 DFCF Nc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1 95580289 KNEPJZSAROVRPH-UHFFFAOYSA-N 302.341 2.647 10 1 DFCF CCOC(=O)c1nc2ccccc2[nH]c1=Nc1ccc(N)cc1 1857747425 JXYBHCZNFHNAGO-UHFFFAOYSA-N 308.341 2.554 10 1 DFCF CC(=O)N1N[C@@H](c2c(O)cccc2O)C[C@H]1c1ccc(C)cc1 28343399 LDIHTVZGYRFMGG-CABCVRRESA-N 312.369 2.945 10 1 DFCF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2O)N1 73278767 XAVCGIXOYOYBPX-WBVHZDCISA-N 322.364 2.650 10 1 DFCF COc1cc(-c2ccc3c(c2)C=C[C@@](C)(CO)O3)cc(O)c1O 15252172 PYBVCMOUSOSDMJ-SFHVURJKSA-N 314.337 2.930 10 1 DFCF biogenic O=C1CS[C@@H](c2ccc(O)cc2O)N1c1ccc(O)cc1 96915206 ALWYCZLPKGRJMZ-HNNXBMFYSA-N 303.339 2.582 10 1 DFCF COc1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2n1 587785541 NKFPTZMWOOIGEH-HWKANZROSA-N 313.313 2.557 10 1 DFCF Nc1ccc(N2C(=O)c3ccc(OCCCF)cc3C2=O)cc1 40943737 GZRLKVSPEXOBKP-UHFFFAOYSA-N 314.316 2.808 10 1 DFCF COc1cc2c3c(n(C)c2cc1OC)C(=O)c1ccccc1C3=O 299827079 OMZQJXJZHLKEQR-UHFFFAOYSA-N 321.332 2.971 10 1 DFCF Cc1ccc(CNCc2cc(=O)c3c(O)c(O)ccc3o2)cc1 71341218 GQGPNJLDZZYSMJ-UHFFFAOYSA-N 311.337 2.802 10 1 DFCF CNC(=N)N(C)CCNc1c2ccccc2nc2ccccc12 40423919 KNXGLIOGOWSPBN-UHFFFAOYSA-N 307.401 2.886 10 1 DFCF COc1cc(O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 13340155 DEVKCCHIUHLHCF-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic CC(=O)Oc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O 39091545 LZNZDBDMSAJXRH-UHFFFAOYSA-N 319.316 2.879 10 1 DFCF C[C@@H](N=N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 169694215 CPJBMGRCRXWCCI-SNVBAGLBSA-N 318.344 2.910 10 1 DFCF C[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)ccc2C1 26977823 ABYJLDWKGMEKMM-MLGOLLRUSA-N 313.397 2.882 10 1 DFCF COc1cccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)c1 1772599206 JMMJWLIUEUEWNF-SOFGYWHQSA-N 314.337 2.906 10 1 DFCF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1O 587400752 SSTCWPWPGNYINN-AWEZNQCLSA-N 315.325 2.704 10 1 DFCF Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4 28763855 BDRPLVMDSVQGDO-UZLBHIALSA-N 322.408 2.922 10 1 DFCF Cc1cc(-c2cc(-c3cc(O)c(O)c([N+](=O)[O-])c3)on2)on1 49069927 PYEKXWOMJLURBH-UHFFFAOYSA-N 303.230 2.624 10 1 DFCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(F)cc(F)c12 84653299 CRURUFVYPUPXBD-UHFFFAOYSA-N 306.220 2.855 10 1 DFCF COc1cc([C]2Oc3cc(O)cc(O)c3C=C2C)cc(O)c1O 2356864103 WCVVLZHJDPJMTE-UHFFFAOYSA-N 315.301 2.894 10 1 DFCF C[C@@H](Cc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 26971311 OLUBGMZCRFCJRU-BLLLJJGKSA-N 313.397 2.882 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1c(C)cc(C)cc1C 253961435 XNMJUOWDLYPHCO-LBPRGKRZSA-N 303.391 2.526 10 3 DFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccco2)N1 103064033 JGZURRLKKHPZRB-NSHDSACASA-N 308.293 2.570 10 1 DFCF C[C@H](O)c1csc2c1C(=O)c1cc([C@@H](C)O)sc1C2=O 1652349 SBHSPVCXPBMFDR-NTSWFWBYSA-N 308.380 2.692 10 1 DFCF COc1ccc([C@@H]2Oc3c(O)c(O)cc(O)c3C=C2O)cc1 2356839060 MFRMLGJHAYMVRW-HNNXBMFYSA-N 302.282 2.845 10 1 DFCF C1=CC=C2NCCCNC3=CC=CC=CC3=NCCCN=C2C=C1 263590592 AHHZSEKYEKCZIA-UHFFFAOYSA-N 320.440 2.861 10 3 DFCF COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(O)cc3[N+]1(C)CC2 14947545 HVZWFRMKXRRMBK-MJTSIZKDSA-O 314.361 2.603 10 1 DFCF endogenous,in-man CCCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O 206703681 KKPNRHWQCMOTQY-UHFFFAOYSA-N 312.321 2.921 10 1 DFCF CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 5899 DAXUVEJLUCSOEI-UHFFFAOYSA-N 303.314 2.592 10 1 DFCF Oc1cc(-c2ccc3cc(O)c(O)c(O)c3c2)cc(O)c1O 53314622 CCQXFKHFTVGKSZ-UHFFFAOYSA-N 300.266 2.740 10 1 DFCF O=C(NCc1ccccc1O)c1cc2cccc(O)c2cc1O 27526701 MKGVGUQWMHCVRF-UHFFFAOYSA-N 309.321 2.887 10 1 DFCF Cc1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586949069 YOOSPMCSLNGTCI-UHFFFAOYSA-N 317.370 2.615 10 1 DFCF COc1ccc([C]2C=Cc3c(cc(O)c(O)c3OC)O2)cc1O 2356874821 SMTFTJMOLVUPRC-UHFFFAOYSA-N 315.301 2.806 10 1 DFCF C[C@H]1Cc2ccc3c(c2[C@@H](O)C1)C(=O)c1cccc(O)c1C3=O 14688656 OBCFJTYDPHCLMZ-XPTSAGLGSA-N 308.333 2.783 10 1 DFCF biogenic CCN1C(=O)/C(=C/c2ccc3nsnc3c2)SC1=S 84653097 JIZBNYMHDVUNRC-POHAHGRESA-N 307.425 2.912 10 1 DFCF COc1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)cc(O)c1O 587786008 RBLWHVARRNGUSV-IHWYPQMZSA-N 318.720 2.548 10 1 DFCF Oc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1 95594689 PWMOQKSUXLFNPS-UHFFFAOYSA-N 320.396 2.658 10 1 DFCF Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(N)cc3)ccc12 1772569857 NMPXPFJPRYZWRY-UHFFFAOYSA-N 308.337 2.865 10 1 DFCF CN(CCO)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587193279 XAYQADQGWRTCNJ-UHFFFAOYSA-N 307.357 2.535 10 1 DFCF Cc1cc([N+](=O)[O-])c(O)c([C@@]2(C)NCCc3c(C)ccnc32)c1 963069546 NHOFCUQLUVYMIX-QGZVFWFLSA-N 313.357 2.721 10 1 DFCF Cc1ccccc1CNCc1cc(=O)c2c(O)c(O)ccc2o1 71335110 RJZHCGLZVIZVGZ-UHFFFAOYSA-N 311.337 2.802 10 1 DFCF COc1ccc([C@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1OC 28529392 AAGYADWKQQGHLZ-GOSISDBHSA-N 312.321 2.898 10 1 DFCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)Cn1ccnc1)C(C)(C)C2 26168460 YUKPKEXWZZARHW-KRWDZBQOSA-N 313.401 2.645 10 1 DFCF COc1cc2c(c(O)c1C)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356719655 DHFNKQLCKYISKC-AWEZNQCLSA-N 316.309 2.827 10 1 DFCF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(N(C)C)cc1)[C@H](C)O 1857754026 UWOFAQCHSOILSC-ZRRZQRFHSA-N 316.361 2.545 10 1 DFCF COc1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)cc(O)c1O 587784674 BYOCPGLBMYFYSZ-NSCUHMNNSA-N 318.720 2.548 10 1 DFCF CCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 653840664 BGLANQCMTSXFSJ-UHFFFAOYSA-N 323.381 2.930 10 1 DFCF CN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1c1ccc[nH]1 31897109 QOHDNECQTLUWCS-NXVVXOECSA-N 306.369 2.745 10 1 DFCF CNc1[nH]c(=O)[nH]c(=O)c1/N=N\c1cc(Cl)ccc1Cl 96892594 OVEGSKXJSWZKPL-ZCXUNETKSA-N 314.132 2.827 10 1 DFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3csc(Cl)n3)nc21 1857656171 FTUZPUZXIKFAIE-UHFFFAOYSA-N 315.741 2.962 10 1 DFCF Cn1c2c(c3ccccc31)CCN1C[C@@H]3COC(=O)C=C[C@H]3C[C@H]21 2356654801 KSLYJCMRRQHOJW-PMUMKWKESA-N 322.408 2.827 10 1 DFCF Cc1cc(O)c2c3c(ncc2c1)C(=O)c1c(O)cccc1C3=O 10515 YUPGXNABNFYQMU-UHFFFAOYSA-N 305.289 2.730 10 1 DFCF biogenic CC(=O)CCc1ccc2c(c1C)C(=O)c1cc(O)ccc1C2=O 14490889 ZXMFLWCLJYELEM-UHFFFAOYSA-N 308.333 2.998 10 1 DFCF biogenic,in-vitro C[C@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1cccnc1 1857621274 YZAQQIYAJLTIEB-LBPRGKRZSA-N 322.368 2.565 10 1 DFCF CC=C1C(=O)OC[C@@H]2[C@@H]1C[C@H]1N[C@@H]2Cc2c1n(C)c1ccccc21 2356561973 MXJZROHBCMNZRV-MWQQHZPXSA-N 322.408 2.873 10 1 DFCF O=C1OC(=Cc2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1 2356635440 ZGCIQJGTALTNIG-UHFFFAOYSA-N 312.277 2.670 10 1 DFCF COc1c(-c2coc3cc(O)ccc3c2=O)ccc(O)c1O 238744336 XFAMBGFUJZVEQW-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF CN(C)c1ccc(/C=C2\N=C(c3ccc(N)cc3)OC2=O)cc1 1616416 ZYMFONSCOMKYTL-WJDWOHSUSA-N 307.353 2.679 10 1 DFCF Nc1ccc(Oc2ccc(Cc3cnc(N)nc3N)cc2)cc1 45323487 BYFCFWNBLUSIPA-UHFFFAOYSA-N 307.357 2.606 10 1 DFCF Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCC[C@@]3(C)CO 6072096 VIDDDTBBUDIKKK-IBGZPJMESA-N 310.349 2.950 10 1 DFCF biogenic,in-vitro COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(O)c3O2)cc1 14728460 OVDFVZLTXMMPDE-CYBMUJFWSA-N 302.282 2.519 10 1 DFCF biogenic Cc1cc(-c2coc3c(O)c(O)cc(O)c3c2=O)ccc1O 95099479 YAKJQHWLQVKMSB-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF biogenic,in-vitro COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 28771301 NNGCXJPRHBHODU-UHFFFAOYSA-N 322.412 2.894 10 1 DFCF COc1ccc([C@H]2CC(=O)c3cc(OC)c(O)c(O)c3O2)cc1 14728472 CEKYFXJLACPHJE-CYBMUJFWSA-N 316.309 2.822 10 1 DFCF biogenic Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1 84604784 WOBFFEQNUIJBHH-UHFFFAOYSA-N 309.369 2.768 10 1 DFCF O=C1c2c(ccc(O)c2O)-c2c3c(cc4ccnc1c24)OCO3 238731119 XTAHZWVAAGNRNN-UHFFFAOYSA-N 307.261 2.586 10 1 DFCF COc1cc(O)c(O)cc1-c1coc2cc(O)ccc2c1=O 14758956 SNYJAORFYCDMDF-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic CCOC(=O)c1nc2ccccc2[nH]c1=Nc1ccccc1O 1857643920 MQADDMUJBIOIQG-UHFFFAOYSA-N 309.325 2.678 10 1 DFCF O=[N+]([O-])c1cc(-c2nc(-c3ccc(F)cc3)no2)cc(O)c1O 49070610 LQTSFMGLLZNBAU-UHFFFAOYSA-N 317.232 2.862 10 1 DFCF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587449940 KLROVHNWJFDUMU-SGTLLEGYSA-N 312.321 2.769 10 1 DFCF COC(=O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 13340121 BVFAKXZUPQTNKN-UHFFFAOYSA-N 316.265 2.709 10 1 DFCF biogenic,in-vitro Cc1ccc(-c2ccc(O)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26831868 NWLCBPATGSGBMW-HZPDHXFCSA-N 315.369 2.626 10 1 DFCF O=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1O 40567163 XCCPMZRKXGKEID-UHFFFAOYSA-N 302.311 2.665 10 1 DFCF Cc1c(O)c(O)c(O)c2c(=O)c(O)c(-c3ccccc3)oc12 14761196 RQBAJFCXGFVZFU-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF biogenic O=C1c2sc3nccn3c2C(=O)c2c(Cl)ccc(O)c21 26017799 GKLGOIBKAKCKDC-UHFFFAOYSA-N 304.714 2.530 10 1 DFCF CC1(C)CC(=O)c2c(ncc3c2C(=O)c2cccc(O)c2C3=O)C1 40393318 WPNFEIJVRLXJER-UHFFFAOYSA-N 321.332 2.718 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1c(C)cc(C)cc1C 253961431 XNMJUOWDLYPHCO-GFCCVEGCSA-N 303.391 2.526 10 3 DFCF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587235119 LIFRMJSDHQYUBG-ZIAGYGMSSA-N 322.368 2.787 10 1 DFCF O=c1c(Cl)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 299830137 NCNRDYQNIBUIKV-UHFFFAOYSA-N 320.684 2.936 10 1 DFCF CCCc1cnc2c(c1)C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857633183 CMYXQXHNLAUMSQ-UHFFFAOYSA-N 302.311 2.779 10 1 DFCF C[C@H](O)c1cc2c(s1)C(=O)c1c([C@@H](C)O)csc1C2=O 1648663 UCYRPWDOWLXJHZ-RITPCOANSA-N 308.380 2.692 10 1 DFCF CC(C)[C@@H]1C(=O)N(CC2CC2)c2sc3ccccc3[n+]2C1=O 100974262 ZKTUYKQOJWCNPL-CQSZACIVSA-N 315.418 2.858 10 1 DFCF CC1=NN(C(=O)CN2CCCCC2)[C@H](c2ccccc2O)C1 653729194 BBYKISRIEPFPOC-HNNXBMFYSA-N 301.390 2.527 10 1 DFCF COc1ccc(/C=C2/SC(N)=NC2=O)cc1OC1CCCC1 138779061 VGGUVGVAVAAODK-NTEUORMPSA-N 318.398 2.946 10 1 DFCF in-vivo Cc1nc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2s1 49031257 MEPUIYQXZYYPPT-UHFFFAOYSA-N 318.354 2.737 10 1 DFCF COC(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653801369 ZHHYHWLOXRQGFA-UHFFFAOYSA-N 306.726 2.964 10 1 DFCF O=c1oc(/C=C/c2ccc(O)c(O)c2)cc2cc(O)cc(O)c12 33835467 PFBRHHNNJMCOFV-HNQUOIGGSA-N 312.277 2.786 10 1 DFCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CCOC3)[nH]c21 586910748 ALWQNGNHPXMILX-JTQLQIEISA-N 318.332 2.842 10 1 DFCF COc1cccc2c1C(=O)c1c(OC)cc(C)c(OC)c1C2=O 14814385 DMCPMIYOHQKBTH-UHFFFAOYSA-N 312.321 2.796 10 1 DFCF biogenic COc1cc2c(c(OC)c1OC)-c1c(ccc(O)c1O)CC2 14650696 NCFZPQJZEXYHOR-UHFFFAOYSA-N 302.326 2.889 10 1 DFCF biogenic C[C@@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccncc1 1857568304 RZLWQWNJKVCAGE-GFCCVEGCSA-N 322.368 2.565 10 1 DFCF Cc1cc2cc(C(=O)N3CCOCC3)c(=O)oc2c2ccccc12 73158830 ZCOFBMNJJIEVBP-UHFFFAOYSA-N 323.348 2.727 10 1 DFCF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C=C[C@H](N=[N+]=[N-])[C@H]3[C@@H]1C5 40619796 FBBMAWBAUOCSMA-TXQGJJMLSA-N 310.357 2.516 10 1 DFCF COc1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)cc(O)c1O 587784931 FNNDUNJWUSDFRC-HWKANZROSA-N 312.325 2.645 10 1 DFCF Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1 653819874 WXYDWXCNFYMYCG-UHFFFAOYSA-N 309.373 2.750 10 1 DFCF Cc1ccc(N=Nc2ccc(N)cc2C)c(S(N)(=O)=O)c1 253989103 UFCBDPKSFCONKF-UHFFFAOYSA-N 304.375 2.948 10 3 DFCF O=C1c2ccccc2C(=O)[C@@]23C[C@@H](c4ccc(F)cc4)OC[C@@]12O3 473106522 XMSTVQJMBSSDBF-ZYSHUDEJSA-N 324.307 2.874 10 1 DFCF O=c1c2ccc(O)c(O)c2nc2n1CCc1c-2[nH]c2ccccc12 14689125 PRSXYIFCRMRNRJ-UHFFFAOYSA-N 319.320 2.512 10 1 DFCF biogenic Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(N)=O)cc1 261075907 AWKWBGDUEQKURO-UHFFFAOYSA-N 321.340 2.988 10 1 DFCF COCc1c(OC)cc2c(c1OC)C(=O)c1ccccc1C2=O 13327799 NZLSUGFWQJLVSV-UHFFFAOYSA-N 312.321 2.626 10 1 DFCF biogenic O=C1NC(=O)[C@H](Sc2ccc3cc(O)c(O)cc3c2)S1 29218463 ORXYPXGYMOVMEE-GFCCVEGCSA-N 307.352 2.652 10 1 DFCF CN1CCc2c(cc(O)c(O)c2F)[C@@H](c2ccc(O)cc2)C1 26398102 VAYILERACYVXPO-CQSZACIVSA-N 303.333 2.562 10 1 DFCF O=[N+]([O-])c1ccc2nc(Sc3ncc([N+](=O)[O-])s3)[nH]c2c1 40914845 SHCVDDMBCPQDHD-UHFFFAOYSA-N 323.315 2.987 10 1 DFCF CN1CCc2cc(O)c(O)c3c2[C@H](C1)CN3c1ccc(F)cc1 28013866 QGDRDWYAKNWQPW-GFCCVEGCSA-N 314.360 2.960 10 1 DFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCc1ccccc1 169337012 FDORRDQRBHRNIT-PKNBQFBNSA-N 304.367 2.726 10 1 DFCF O=S(=O)(Nc1ccc(O)c2ncccc12)c1cccs1 101393429 DSEOOTRDYXCBEW-UHFFFAOYSA-N 306.368 2.803 10 1 DFCF O=C(C=Cc1ccc(O)c(O)c1)OC=Cc1cc(O)cc(O)c1 2356474155 FOWPKLFOIDTRMY-UHFFFAOYSA-N 314.293 2.736 10 1 DFCF COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1O 40409869 STCLYCCAPYNAAW-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF O=C(O)[C@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1ccccc1O 20583490 DVHYEMIGYSIVIF-IRXDYDNUSA-N 323.348 2.920 10 1 DFCF CN(CCO)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587192810 DRJJAPFWQDUEFO-UHFFFAOYSA-N 312.329 2.567 10 1 DFCF C[C@H]1[C@@H](C(=O)N2CCCC2)CC(=O)C(=O)C[C@H]1c1ccccc1 104692058 JLSXNKOIXFEEAJ-BMFZPTHFSA-N 313.397 2.577 10 3 DFCF CC=C1C(=O)OC[C@H]2[C@H]3Cc4c(n(C)c5ccccc45)[C@@H](C[C@@H]12)N3 2356561977 MXJZROHBCMNZRV-RKTXRCNFSA-N 322.408 2.873 10 1 DFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccncc3Cl)nc21 1857648581 JXTHAWPEQYMGJE-UHFFFAOYSA-N 309.712 2.901 10 1 DFCF C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1 72318133 FDGBWIKGRFTMJO-DYVFJYSZSA-N 324.380 2.984 10 1 DFCF O=C1c2cccc3ccc(-c4ccc(O)c(O)c4)c(c23)[C@@H](O)[C@@H]1O 13462473 KYFLPCGJIAGYKZ-RTBURBONSA-N 322.316 2.509 10 1 DFCF endogenous,in-man COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1 14813980 FIYPYRNWAKRRIU-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF endogenous,in-man COc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)CC2=O 14728186 LZNBPKVQGLKRKQ-AWEZNQCLSA-N 302.282 2.519 10 1 DFCF biogenic O=C1Nc2c(c(=O)oc3ccccc23)[C@@H](c2ccccc2O)N1 96931707 BXUPUZUBQTWZRM-CQSZACIVSA-N 308.293 2.723 10 1 DFCF COc1cc(/C=C\c2nc3ccnc(OC)c3[nH]2)cc(O)c1O 587785427 LVHWLTQALGUVRX-ARJAWSKDSA-N 313.313 2.557 10 1 DFCF Cc1cc(C)c(C2C(=O)N3CCC(C)CCN3C2=O)c(C)c1 103272823 DGLWXSQKMMVVEI-UHFFFAOYSA-N 300.402 2.711 10 1 DFCF CCCCC[C@@H](O)CC(=O)CCc1cc(O)c(O)c(OC)c1 2356562041 LLELTCZDTNTCBQ-CYBMUJFWSA-N 310.390 2.939 10 1 DFCF COc1ccc([C@H]2COc3cc(O)c(O)cc3C2)c(OC)c1O 14645766 UGMLMXOTFZEATD-SNVBAGLBSA-N 318.325 2.539 10 1 DFCF biogenic COc1cc2c(c(OC)c1OC)C(=O)c1cc(C)ccc1C2=O 238755977 KGIFSKSRMHMGBW-UHFFFAOYSA-N 312.321 2.796 10 1 DFCF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(O)c4O)[C@@H](C2)C3=O 587453232 XPDOGZZXUHTFPO-ORAYPTAESA-N 324.332 2.696 10 1 DFCF O=C1c2ccccc2C(=O)[C@@]23C=C(c4ccc(F)cc4)OC[C@@]12O3 473104100 OKNDGIZZGZZXQW-RBUKOAKNSA-N 322.291 2.784 10 1 DFCF O=C1O[C@H](c2ccc(O)c(O)c2)C/C1=C\c1ccc(O)c(O)c1 72112716 UBOOMSUOPIZYEU-WQRDJFRPSA-N 314.293 2.581 10 1 DFCF in-vitro COc1cccc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)c1 1857770009 AXQJLCSDOWMSGN-UHFFFAOYSA-N 304.305 2.861 10 1 DFCF COc1c(-c2ccc(O)cc2)oc2c(C)cc(O)c(O)c2c1=O 14761154 BUWDKAOCACVEON-UHFFFAOYSA-N 314.293 2.894 10 1 DFCF endogenous,in-man CN(C)c1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1 1663105 AZJCYZBSMRXCNX-ONEGZZNKSA-N 302.399 2.570 10 1 DFCF Oc1ccccc1C1=NN[C@@H](c2ccc(N3CCOCC3)cc2)C1 49034428 ZUFBMVVYXDGPGG-QGZVFWFLSA-N 323.396 2.668 10 1 DFCF Cc1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 29038286 GDTVNWYCKSOBLL-UHFFFAOYSA-N 306.273 2.582 10 1 DFCF CC(=O)Oc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O 141398238 SZBYRQOQKQUJGH-UHFFFAOYSA-N 305.289 2.869 10 1 DFCF O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1ccccc1O 20583494 DVHYEMIGYSIVIF-SJORKVTESA-N 323.348 2.920 10 1 DFCF CN(CCO)c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587192836 GGSSMQODRDEFHU-UHFFFAOYSA-N 312.329 2.567 10 1 DFCF CC1=NN(C(=O)CN2CCCC[C@H]2C)[C@@H](c2ccccc2O)C1 195510322 UZDQLLPGHXIQRR-GDBMZVCRSA-N 315.417 2.916 10 1 DFCF CNc1ccccc1C(=O)c1c(OC)cc(OC)cc1OC 1734964 QJOXEVMFTGODDY-UHFFFAOYSA-N 301.342 2.985 10 1 DFCF biogenic COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1O 14759229 PVUYNAPZRICYPA-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(F)cc(F)c12 84758581 MHOQSUDDOJBXCK-UHFFFAOYSA-N 322.219 2.561 10 1 DFCF O=C(/C=C/c1cc(O)c(O)c(O)c1)OCCc1ccccc1 1644296 COUZOAATCDRXRK-VOTSOKGWSA-N 300.310 2.603 10 1 DFCF CCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29481358 UOOUTXUBCNKZJO-UNEWFSDZSA-N 312.413 2.794 10 1 DFCF O=C1N=C(NCc2ccco2)S/C1=C\c1c[nH]c2ncccc12 40943209 RSBPBMDZFOJWIH-QPEQYQDCSA-N 324.365 2.916 10 1 DFCF CN(C)C(=O)N(Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1O 40917984 ANDJOBJHEHVUKB-UHFFFAOYSA-N 319.317 2.577 10 1 DFCF O=C1c2ccccc2C(=O)C1(CO)c1ccc(OC(F)F)cc1 497902 MGLURQYYNWNFQF-UHFFFAOYSA-N 318.275 2.597 10 3 DFCF CCCCc1cc(I)c(O)c(CN)c1 29223348 BZTNGDQQQQAMCH-UHFFFAOYSA-N 305.159 2.798 10 1 DFCF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(N(C)C)cc1 2356772891 LRBSKRXXNDZCPJ-AOIWGVFYSA-N 301.478 2.963 10 1 DFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccco2)N1 103064035 JGZURRLKKHPZRB-LLVKDONJSA-N 308.293 2.570 10 1 DFCF O=C1O[B-]2(N[C@H]1Cc1ccc(O)c(O)c1)C1CCCC2CCC1 195161553 KFBHQGYLWZDVFV-VYWJUGDHSA-N 316.186 2.706 10 1 DFCF CCc1c(CO)c(CO)c2n1CCc1c-2n(C)c2ccccc12 1772598595 PJXKYXGXJMUUNA-UHFFFAOYSA-N 310.397 2.750 10 1 DFCF CC(=O)N1N[C@H](c2c(O)cccc2O)C[C@H]1c1ccc(C)cc1 28343406 LDIHTVZGYRFMGG-GJZGRUSLSA-N 312.369 2.945 10 1 DFCF C[N+]1(C)CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)cc1 85511925 GZCZUQLKNREJGE-INIZCTEOSA-O 300.378 2.720 10 1 DFCF biogenic,in-vitro COc1ccc(CCc2ccc(O)c(O)c2OC)cc1OC 1772633462 FXGGBBDZKNYGNV-UHFFFAOYSA-N 304.342 2.909 10 1 DFCF COc1cc2c(cc1O)oc(=O)c1c3cc(O)c(O)cc3oc21 3819481 BPUFWAUISSHYSD-UHFFFAOYSA-N 314.249 2.818 10 1 DFCF CNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 95581952 KHLPTYMAVQJRNJ-UHFFFAOYSA-N 318.376 2.822 10 1 DFCF C[n+]1ccccc1/C=C1/Sc2ccccc2N1CCC(=O)O 188612 CBSUKRUKTSGJHW-UHFFFAOYSA-O 313.402 2.897 10 1 DFCF Cc1c(F)ccc2c1[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)NCC2 962093920 RYNUCMWYFWSNPV-OAHLLOKOSA-N 318.304 2.689 10 1 DFCF O=C1c2ccccc2C(=O)c2c1ccc1nc3n(c21)CCS3 103265450 RUZUZCYXFBBWIH-UHFFFAOYSA-N 306.346 2.917 10 1 DFCF C[C@@H]1Cc2ccc3c(c2[C@H](O)C1)C(=O)c1cccc(O)c1C3=O 14688654 OBCFJTYDPHCLMZ-YMTOWFKASA-N 308.333 2.783 10 1 DFCF biogenic O=C(O)c1ccc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1 1857655106 ZGENDLFPXKQXIW-UHFFFAOYSA-N 318.288 2.550 10 1 DFCF O=[N+]([O-])c1ccc(CC[C@@H]2NCCc3cc(O)c(O)cc32)cc1 29125859 XITAKLLMOBYBCL-HNNXBMFYSA-N 314.341 2.826 10 1 DFCF COc1ccc(-c2coc3cc(O)c(O)c(O)c3c2=O)cc1 136794504 DXRCZIARKKLMLL-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF O=C(c1ccc(O)cc1Br)c1cccc(O)c1O 261101953 GNIGUNMLDCKQNI-UHFFFAOYSA-N 309.115 2.797 10 1 DFCF Cc1ccc(C)c([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1O 962930428 XZSKSVIKMMMKBK-SFHVURJKSA-N 324.424 2.946 10 1 DFCF C[C@@H](CO)n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 72180251 VKQOSPOBYGWWCF-NSHDSACASA-N 305.333 2.766 10 1 DFCF COc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1O 14759212 YANXJXVKFOHHOB-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic COc1cc(O)c2c(c1)O[C@@H](c1cccc(O)c1O)CC2=O 14728039 WNVIBRHBJSWDLA-CYBMUJFWSA-N 302.282 2.519 10 1 DFCF biogenic Oc1ccccc1C1=NN[C@H](c2ccc(N3CCOCC3)cc2)C1 49034426 ZUFBMVVYXDGPGG-KRWDZBQOSA-N 323.396 2.668 10 1 DFCF Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 1772592650 MIMSNOUAUPHIMZ-XVNBXDOJSA-N 314.297 2.966 10 1 DFCF Nc1ccc(Oc2ccc3nc([C@]4(N)CCOC4)[nH]c3c2)cc1 587248322 MYAGCYNVSURQSY-KRWDZBQOSA-N 310.357 2.512 10 1 DFCF CC1=C(O)[C@@H]2C(=O)C[C@H](c3ccc(O)c(O)c3)O[C@H]2C(C)=C1O 2356551605 LSKGGQUKANSNCD-KEYYUXOJSA-N 318.325 2.791 10 1 DFCF Cc1ccc(C=C[C@@H](c2ccc(O)c(O)c2)[C@H](O)CO)cc1 2356572836 PUDJVOUPUJHFDP-MAUKXSAKSA-N 300.354 2.556 10 1 DFCF CC1=NN(C(=O)CN2CCC(C)CC2)[C@@H](c2ccccc2O)C1 84604705 CDWKNMUWYXGYDD-MRXNPFEDSA-N 315.417 2.773 10 1 DFCF COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)C2=O)ccc1O 957811099 UHKWVWLDPNOIRE-SFHVURJKSA-N 312.321 2.903 10 1 DFCF Cc1ccn2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)c2c1 473137686 ZNDQTKOOJXXHGB-UHFFFAOYSA-N 322.412 2.947 10 1 DFCF O=C1C(=O)[C@@H](c2ccccc2)C(=O)c2oc3cc(O)c(O)cc3c21 169720901 HZDHAZJZUNMSHX-CYBMUJFWSA-N 322.272 2.576 10 1 DFCF CNC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)=NN1 238753118 OEMZQUQVACELCA-UHFFFAOYSA-N 300.749 2.608 10 1 DFCF CCOCc1c(O)cc2c(c1OC)C(=O)c1ccccc1C2=O 13327802 HQMWVIOONIEKGP-UHFFFAOYSA-N 312.321 2.713 10 1 DFCF biogenic CC=C1C(=O)OC[C@@H]2[C@H]3Cc4c(n(C)c5ccccc45)[C@@H](C[C@@H]12)N3 2356561975 MXJZROHBCMNZRV-QMCVQRASSA-N 322.408 2.873 10 1 DFCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C 14761166 IEWYZZQKRHHVND-UHFFFAOYSA-N 314.293 2.894 10 1 DFCF biogenic,in-vitro Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCCC1)C(C)(C)C2 26171262 MKNRRMWLOOGXCH-SFHVURJKSA-N 316.445 2.844 10 1 DFCF CCN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(CC)C1=S 39047698 WARNILUNFMPQTQ-DHZHZOJOSA-N 314.410 2.622 10 1 DFCF C[C@@H]1O[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586917562 SDBWCNGSTIOCFG-WNWIJWBNSA-N 304.305 2.798 10 1 DFCF COc1cc(-c2coc3c(O)c(O)ccc3c2=O)ccc1O 64549050 QPOFOCCKNNVDAR-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587235117 LIFRMJSDHQYUBG-KGLIPLIRSA-N 322.368 2.787 10 1 DFCF O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1ccccc1O 20583487 DVHYEMIGYSIVIF-IAGOWNOFSA-N 323.348 2.920 10 1 DFCF O=c1c2c(O)c(O)ccc2oc2ccc3cc(O)c(O)cc3c12 225875526 ZXKKTKXVMFGSCT-UHFFFAOYSA-N 310.261 2.922 10 1 DFCF CN(C)CCN(C)C(=O)c1cccc2c(N)c3ccccc3nc12 5957777 RAYBUIRHJKYHIC-UHFFFAOYSA-N 322.412 2.604 10 1 DFCF C[C@H](O)c1cc2c(s1)C(=O)c1scc([C@@H](C)O)c1C2=O 1652346 SBHSPVCXPBMFDR-RITPCOANSA-N 308.380 2.692 10 1 DFCF O=C1c2c(ccc(O)c2O)CN1Cc1cc(F)c(F)c(F)c1 43071689 BXSIXLZBTIYFCW-UHFFFAOYSA-N 309.243 2.671 10 1 DFCF CC(=O)N1N[C@H](c2ccc(O)cc2O)C[C@@H]1c1ccc(C)cc1 28333427 CJLFZVLYTVTOKP-DLBZAZTESA-N 312.369 2.945 10 1 DFCF C[C@H](Cc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 26971334 OLUBGMZCRFCJRU-WBMJQRKESA-N 313.397 2.882 10 1 DFCF Cc1ccc(C=C[C@H](c2ccc(O)c(O)c2)[C@H](O)CO)cc1 2356572835 PUDJVOUPUJHFDP-CRAIPNDOSA-N 300.354 2.556 10 1 DFCF C[C@@H](O)c1cc2c(s1)C(=O)c1scc([C@@H](C)O)c1C2=O 1652347 SBHSPVCXPBMFDR-PHDIDXHHSA-N 308.380 2.692 10 1 DFCF COc1cc(/C=C2\SC(NC(C)(C)C)=NC2=O)ccc1O 95755325 NWXCHXFYPUYCDT-WQLSENKSSA-N 306.387 2.759 10 3 DFCF NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 27188532 JWMIPWLLAVVHDH-UHFFFAOYSA-N 304.349 2.562 10 1 DFCF CCOC(=O)Nc1ccc(NCc2ccccc2O)nc1N 26822490 AFLFQYOSCFDBHQ-UHFFFAOYSA-N 302.334 2.550 10 1 DFCF CC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O 40379793 CLKMBGAACOYRLO-UHFFFAOYSA-N 324.723 2.966 10 1 DFCF O=C(/C=C/c1ccc(O)c(O)c1O)OCCc1ccccc1 1642252 FNEKXKSALYUCNS-VQHVLOKHSA-N 300.310 2.603 10 1 DFCF Nc1[nH]n2c(=O)c3c(nc2c1/N=N/c1ccccc1)CCCC3 169694036 QCDQDLMWJZAOMQ-FMQUCBEESA-N 308.345 2.899 10 1 DFCF CCc1cc(CC)c(C2C(=O)N3CCCCN3C2=O)c(CC)c1 103276933 VOPDCEAKLFLNST-UHFFFAOYSA-N 314.429 2.837 10 1 DFCF COc1cc(O)cc2c1C=C(O)[C@H](c1cc(O)c(O)c(O)c1)O2 2356868571 XDKVFHKDOVAGSA-INIZCTEOSA-N 318.281 2.550 10 1 DFCF O=C1c2[nH]cc3c2C(=NCC3)c2c(-c3ccc(O)cc3)c[nH]c21 14824223 YEAXSAGTEKAYBH-UHFFFAOYSA-N 303.321 2.653 10 1 DFCF biogenic Cc1ccc(-c2ccccc2O)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26835403 HRJNORMWLOECJJ-ZIAGYGMSSA-N 315.369 2.626 10 1 DFCF C[n+]1cc2c(c3ccccc31)C(=O)c1[nH]c3ccccc3c1C2=O 42922709 PFYTYKBCBPLXGA-UHFFFAOYSA-O 313.336 2.921 10 1 DFCF COc1ccc(CCCc2ccc(OC)c(O)c2O)c(O)c1 238778298 JBUDDZJTRHZOPH-UHFFFAOYSA-N 304.342 2.996 10 1 DFCF CC=C1C(=O)OC[C@H]2[C@@H]1C[C@H]1N[C@@H]2Cc2c1n(C)c1ccccc21 2356561980 MXJZROHBCMNZRV-XLNGHYISSA-N 322.408 2.873 10 1 DFCF CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1N1CCCC1 5596319 LNZQXYWZLUCAOC-ROUUACIJSA-N 315.461 2.677 10 1 DFCF O=C(/C=C/c1ccc(O)c(O)c1)O/C=C\c1cc(O)cc(O)c1 13340524 FOWPKLFOIDTRMY-YXPGJMBHSA-N 314.293 2.736 10 1 DFCF biogenic,in-vitro CC(C)Cc1ccc([C@H](C)C(=O)OCO/N=[N+](\[O-])N(C)C)cc1 13645626 GUPNQDAVUGSUQK-HDRCJFCASA-N 323.393 2.860 10 1 DFCF OB1Oc2ccc3ccc(O)cc3c2C=C1c1ccc(O)c(O)c1 1857546595 VHTYCMNEEXWDTC-UHFFFAOYSA-N 320.109 2.909 10 1 DFCF Cc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(O)c1O 1857582125 FVPJWVMDAPGNLF-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF C[C@@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1cccnc1 1857621273 YZAQQIYAJLTIEB-GFCCVEGCSA-N 322.368 2.565 10 1 DFCF Cc1[nH]nc(N)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 84730400 KHNMNOWHVIEJGQ-VHEBQXMUSA-N 311.349 2.514 10 1 DFCF CC(=O)[C@H]1C(c2ccccc2)=NC(O)=N[C@H]1c1ccc(O)c(O)c1 82144865 WUIIYALWCYDXBU-RDJZCZTQSA-N 324.336 2.761 10 1 DFCF CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)O)[C@@H]1CC=C[C@@H]21 169296464 BXECKKNQWBXRLS-GPCCPHFNSA-N 304.302 2.532 10 1 DFCF O=C1c2ccccc2C(=O)c2c(O)cc(Br)cc21 98083747 VJAQBWPFXHURDS-UHFFFAOYSA-N 303.111 2.930 10 1 DFCF COc1cc(O)cc2c1C=C(O)[C@@H](c1cc(O)c(O)c(O)c1)O2 2356868572 XDKVFHKDOVAGSA-MRXNPFEDSA-N 318.281 2.550 10 1 DFCF COc1cc2c(c(O)c1Cl)C(=O)c1c(O)cc(C)cc1C2=O 13386747 RTBAOFRCWWQFHB-UHFFFAOYSA-N 318.712 2.844 10 1 DFCF biogenic CC1=CC2=NC(=O)/C(=C\Nc3ccccc3S)C(=O)N2C=C1 103278770 CIIZZSQJCHSDLK-PKNBQFBNSA-N 311.366 2.512 10 1 DFCF O=C1c2[nH]cc3c2C(=NCC3)c2[nH]cc(-c3ccc(O)cc3)c21 45288200 ZKDWMXXCXNUTEP-UHFFFAOYSA-N 303.321 2.653 10 1 DFCF COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1 5940416 QKERPOLKEQREML-UHFFFAOYSA-N 313.313 2.709 10 1 DFCF COc1ccc([C@@H]2COc3c(ccc(O)c3OC)C2)c(O)c1O 14645784 UUQKWUICQAXXMK-JTQLQIEISA-N 318.325 2.539 10 1 DFCF biogenic COc1ccc(-c2cc(=O)c3cc(O)c(O)c(O)c3o2)cc1 137060563 YXKBIVMXBJYKCD-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF c1cncc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685248 OMMGTFVJCJCJDB-XTQSDGFTSA-N 316.328 2.889 10 1 DFCF COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 95583139 VXPAMWVVWOOAQG-FRFSOERESA-N 314.429 2.757 10 1 DFCF [N-]=[N+]=NCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587259701 HNIOXVOHRRSRMZ-UHFFFAOYSA-N 322.394 2.624 10 1 DFCF c1cc(C/N=N/c2ncnc3c2cnn3-c2nccs2)ccn1 169685251 XCJMZJIFUIXYOR-XUTLUUPISA-N 322.357 2.951 10 1 DFCF CCNC(=O)c1ccccc1C(=O)C(=O)c1ccc(OC)cc1 26661837 KKWVGHNUDSPJKI-UHFFFAOYSA-N 311.337 2.511 10 1 DFCF COc1cc(O)c2c(c1)C[C@@H](c1ccc(O)c(O)c1)CC2=O 95586407 FLADMORRGKOTND-SNVBAGLBSA-N 300.310 2.725 10 1 DFCF NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28461133 PRJMRKZHNPXCMW-UHFFFAOYSA-N 318.376 2.952 10 1 DFCF CN(C)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1 45298999 AZWGZSIGPVBVHJ-WUKNDPDISA-N 304.375 2.815 10 1 DFCF CCOC(=O)c1sc2c(sc(=O)n2-c2ccccc2)c1O 1630147 FVFYXKDZFVPEEL-UHFFFAOYSA-N 321.379 2.996 10 1 DFCF CN(Cc1ccc(N)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780503 BNIBTJJVRVBHKD-KRWDZBQOSA-N 323.396 2.664 10 1 DFCF COc1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)cc1F 103238827 QIKFBKVPAVJKOM-XVNBXDOJSA-N 304.273 2.864 10 1 DFCF COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 238730922 RFQPHWCAHNTCDX-UHFFFAOYSA-N 314.249 2.818 10 1 DFCF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(Cl)c(O)c12 1911584834 QSCOSGVVBIVARD-UHFFFAOYSA-N 320.684 2.936 10 1 DFCF CCNC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)=NN1 238764054 GDDBIQJXWIGEAO-UHFFFAOYSA-N 314.776 2.998 10 1 DFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2)N1 103073316 TYGBDKYDQUSCMN-AWEZNQCLSA-N 318.332 2.977 10 1 DFCF COc1ccc(-c2nsc3c2C(=O)c2cccnc2C3=O)cc1 1911583154 ZUOHEGYKFGZCFJ-UHFFFAOYSA-N 322.345 2.989 10 1 DFCF COc1cc2ncnc(Nc3cccc(O)c3O)c2cc1OC 149831274 PQEYVSYUVWZHGP-UHFFFAOYSA-N 313.313 2.802 10 1 DFCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(O)c(O)cc31)O2 587402694 BIFFCPULRQDTNB-GOSISDBHSA-N 311.337 2.795 10 1 DFCF COc1c(O)c(O)c(O)c2c1C(=O)C[C@@H](c1ccccc1)O2 14728476 PKAFYSRHNWFISU-JTQLQIEISA-N 302.282 2.519 10 1 DFCF biogenic COc1ccc(CCN(CCN(C)C)c2ccc(N)cc2)cc1 1857547529 YMPXVROZGDSSHT-UHFFFAOYSA-N 313.445 2.888 10 1 DFCF Nc1ccc(Oc2ccc3nc(COCC(=O)O)[nH]c3c2)cc1 587562734 DKXQPLNRWYGTPU-UHFFFAOYSA-N 313.313 2.539 10 1 DFCF Oc1cccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)c1 26392772 IFUGHZWPGOPLQC-CYBMUJFWSA-N 305.761 2.734 10 1 DFCF C[C@H]1[C@@H](C(=O)N2CCCC2)CC(=O)C(=O)C[C@@H]1c1ccccc1 104692063 JLSXNKOIXFEEAJ-KBMXLJTQSA-N 313.397 2.577 10 3 DFCF Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 72123082 AGULWCWMDMKUSF-AWEZNQCLSA-N 321.423 2.950 10 1 DFCF CCOC(=O)/N=N\c1c(O)n(CC(=O)OC)c2ccccc12 13544022 QWKVBYJIRSJYHZ-NXVVXOECSA-N 305.290 2.760 10 1 DFCF Cc1cc(F)cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1O 962900389 QGSALHOHCVVBFT-DZGCQCFKSA-N 319.307 2.667 10 1 DFCF CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)c(O)c1 95588412 YZFZPKWYYSHLAW-CQSZACIVSA-N 312.325 2.501 10 1 DFCF CN(CCO)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 587192950 MGQXBLQODWFJQU-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF CN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1cc(O)c(O)c(O)c12 299848402 DTEXWKGSILUDTM-KUHUBIRLSA-N 311.381 2.740 10 1 DFCF CCOC(=O)[C@@H](NC(=O)c1ccc(/N=N/N(C)C)cc1)C(C)C 17217826 XQUIYEIYSSJMAB-HLAUDOPJSA-N 320.393 2.564 10 1 DFCF COc1ccc(N2CCN(c3nc4cc(N)ccc4o3)CC2)cc1 391695362 RYAZBVUTEHCVEP-UHFFFAOYSA-N 324.384 2.745 10 1 DFCF COc1c(C)c(OC(C)=O)cc2c1C(=O)c1ccccc1C2=O 98085543 OAFGQNMHMMPUMW-UHFFFAOYSA-N 310.305 2.704 10 1 DFCF COc1cc(/C=C\c2nc3cncc(OC)c3[nH]2)cc(O)c1O 587785508 NBXOQBWPGYWBMC-ARJAWSKDSA-N 313.313 2.557 10 1 DFCF C[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)ccc2C1 26977840 ABYJLDWKGMEKMM-WBMJQRKESA-N 313.397 2.882 10 1 DFCF O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccccc1 66111562 FBDIICHZOKKYPJ-UHFFFAOYSA-N 300.339 2.741 10 1 DFCF COc1ccc(N2CCN(C)CC2)cc1NCc1ccco1 53014339 WOIXBPIABHLZAY-UHFFFAOYSA-N 301.390 2.652 10 1 DFCF Oc1ccc([C@H]2CNCCc3cc(O)c(O)c(Cl)c32)cc1 26391723 CRJGDSGGGKHTJR-GFCCVEGCSA-N 305.761 2.734 10 1 DFCF O[C@H]1CNCc2nc(-c3ccc(N4CCCC4)cc3)sc21 53295088 WSERFXHIPNYNJF-AWEZNQCLSA-N 301.415 2.547 10 1 DFCF Cc1cc2c(c(O)c1Cl)C(=O)c1c(O)cc(O)cc1C2=O 238755910 GMOOFLHSYUWHCW-UHFFFAOYSA-N 304.685 2.541 10 1 DFCF Cn1c(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)nc2ccccc21 1772604603 KRRPHHPEJMGYSU-FMIVXFBMSA-N 320.308 2.974 10 1 DFCF O=C1c2c(ccc(O)c2O)CN1Cc1c(F)ccc(F)c1F 42922968 UCHNDNMCLRHSMM-UHFFFAOYSA-N 309.243 2.671 10 1 DFCF Nc1ccc(Oc2ccc3nc([C@H](N)C4COC4)[nH]c3c2)cc1 587255943 VWZBGWBBEXXRQW-MRXNPFEDSA-N 310.357 2.584 10 1 DFCF CC=C1CN2[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356412858 DRGANSOIESOOTK-AZFSHXRASA-N 324.424 2.740 10 1 DFCF COC(=O)c1c2c(n3cc(C)ccc13)C(=O)c1ccccc1C2=O 82157706 WIZADKKSVLLGPJ-UHFFFAOYSA-N 319.316 2.810 10 1 DFCF COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O 3954302 AFOLOMGWVXKIQL-UHFFFAOYSA-O 317.273 2.918 10 1 DFCF biogenic,in-man O=C1c2ccccc2C(=O)c2[nH]c(Cc3ccc(F)cc3)nc21 12967498 FQXADOYPUPPQGT-UHFFFAOYSA-N 306.296 2.915 10 1 DFCF O=C(/C=C\c1ccc(O)c(O)c1)O/C=C/c1ccc(O)c(O)c1 218350682 GFZFUVWXGQWUGX-NEEAAVDFSA-N 314.293 2.736 10 1 DFCF Cc1cc2c(cc1F)[C@H](c1ccc(C(=O)O)cc1O)NCC2 962380650 XPEDTIIPOHJPSW-INIZCTEOSA-N 301.317 2.773 10 1 DFCF COc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1O 1647164 QBTQDJARMLYKGZ-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF O=C1OCc2c1cc1cc(O)c(O)cc1c2-c1ccc(O)c(O)c1 14726745 LVDDJZBTYZUCIZ-UHFFFAOYSA-N 324.288 3.000 10 1 DFCF biogenic CCCC[n+]1c2c(n(C3CC3)c1C)C(=O)c1ccccc1C2=O 1857601505 HLPHOEZUOQXDLD-UHFFFAOYSA-N 309.389 2.994 10 1 DFCF Cc1cc2c(o1)-c1nc(OCCO)c3ccccc3c1C(=O)C2=O 1772614553 PEIFVVJZOJJPHH-UHFFFAOYSA-N 323.304 2.553 10 1 DFCF COc1ccc(N2N=C3COc4ccccc4C=C3C2=O)cc1 103256954 LMGYFXGYPVRVQB-UHFFFAOYSA-N 306.321 2.874 10 1 DFCF Nc1ccc(CN2C(=O)c3cccc4c(N)ccc(c34)C2=O)cc1 103254213 QGRXFBUNFGBJHH-UHFFFAOYSA-N 317.348 2.800 10 1 DFCF C[C@H](F)[C@@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587123159 HXWXUASFRALVMR-RMLUDKJBSA-N 323.327 2.696 10 1 DFCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)O 5433629 ZBZPAMWHBRDTDJ-STQMWFEESA-N 307.390 2.724 10 1 DFCF biogenic C[C@H]1Cc2ccc3c(c2[C@H](O)C1)C(=O)c1cccc(O)c1C3=O 14688652 OBCFJTYDPHCLMZ-LKFCYVNXSA-N 308.333 2.783 10 1 DFCF biogenic Cc1noc(-c2ccc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2)n1 96928817 ULLGVMQEZHRZKE-NSHDSACASA-N 300.278 2.681 10 1 DFCF C[C@@H]1C[C@@H](C)CN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1 13677680 WWFAZWBXGOHGTK-GHMZBOCLSA-N 322.361 2.557 10 1 DFCF CC[C@H](O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586901669 WNILSZHTHYWJRN-ZDUSSCGKSA-N 306.321 2.782 10 1 DFCF CCCOC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Cl)cc2c1 1857598777 IAGDPLXEXHMLDC-UHFFFAOYSA-N 324.716 2.537 10 1 DFCF CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCC[C@H]1N1CCCC1 1657343 LNZQXYWZLUCAOC-QZTJIDSGSA-N 315.461 2.677 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1cccc2ccccc12 102703977 VJVRYOOYEZERJD-XAGMJWQQSA-N 311.370 2.754 10 1 DFCF CC1=NN(C(=O)Cn2ccnc2)[C@@H](c2cc(Cl)ccc2O)C1 299869225 UHDHDYSQLMWEHE-CYBMUJFWSA-N 318.764 2.592 10 1 DFCF CN(CCO)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 587192852 GUSJZUIKCNOWKM-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF Nc1ccc(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)cc1 103254225 ZWDRWUMPKIEAMT-UHFFFAOYSA-N 318.332 2.924 10 1 DFCF COCc1cc(Br)c(O)c(O)c1Br 40846781 LKDDAIQKJIAYPD-UHFFFAOYSA-N 311.957 2.769 10 1 DFCF [N-]=[N+]=NCc1cc(CN=[N+]=[N-])cc(C(=O)CC(=O)C(=O)O)c1 13488678 VURPFYWRYMZSHL-UHFFFAOYSA-N 302.250 2.534 10 1 DFCF O=c1c(Cl)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 13586387 GHPOEPBXSFQHEL-UHFFFAOYSA-N 320.684 2.936 10 1 DFCF CCn1cc(C(N)=O)c(=O)c2ccc(-c3cnc(C)s3)cc21 6425924 XNPWFTKULFVXEN-UHFFFAOYSA-N 313.382 2.552 10 1 DFCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CCOC3)[nH]c21 586910750 ALWQNGNHPXMILX-SNVBAGLBSA-N 318.332 2.842 10 1 DFCF COC(=O)c1sccc1NC(=O)/C=C/c1ccc(O)c(O)c1 13649994 JBFXVIAXDYTLDH-HWKANZROSA-N 319.338 2.598 10 1 DFCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N/N=N/C)c1 1574818 BFJDBUGRSFNCKQ-UHFFFAOYSA-N 305.773 2.933 10 1 DFCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCO 13652357 IXPRAKDVTURUCF-UHFFFAOYSA-N 319.360 2.985 10 1 DFCF COc1ccc(-c2c[nH]c3c2C2=NCCc4c[nH]c(c42)C3=O)cc1 45298357 BGVCNAWJHLSYPN-UHFFFAOYSA-N 317.348 2.956 10 1 DFCF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(O)c4O)[C@@H](C2)C3=O 587453229 XPDOGZZXUHTFPO-DJJJIMSYSA-N 324.332 2.696 10 1 DFCF COc1cc(O)cc2oc(=O)cc(-c3ccc(O)c(O)c3)c12 13340154 XHSQEMRVWPSWDD-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic O=C1c2cccc3ccc(-c4ccc(O)c(O)c4)c(c23)[C@H](O)[C@H]1O 13462474 KYFLPCGJIAGYKZ-OALUTQOASA-N 322.316 2.509 10 1 DFCF endogenous,in-man CCc1nc(N2CCN(c3ccc(OC)cc3C)C[C@@H]2C)no1 103252667 ZNIZGTIDQLDJRN-ZDUSSCGKSA-N 316.405 2.664 10 1 DFCF CC1=NN(C(=O)CN2CCC(C)CC2)[C@H](c2ccccc2O)C1 84604703 CDWKNMUWYXGYDD-INIZCTEOSA-N 315.417 2.773 10 1 DFCF NCCCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 13589939 BMDCIKHLBODTGQ-UHFFFAOYSA-N 304.353 2.602 10 1 DFCF Nc1ccc(C[C@@H](N)c2csc(Nc3ncccn3)n2)cc1 61897145 QCAXBFJHQPBNGN-GFCCVEGCSA-N 312.402 2.501 10 3 DFCF O=[N+]([O-])c1cc(-c2nc(-c3cccs3)no2)cc(O)c1O 49068819 ZXKIDJKYQNCIES-UHFFFAOYSA-N 305.271 2.785 10 1 DFCF CC1=C(O)[C@@H]2C(=O)C[C@@H](c3ccc(O)c(O)c3)O[C@@H]2C(C)=C1O 2356551603 LSKGGQUKANSNCD-GRDNDAEWSA-N 318.325 2.791 10 1 DFCF Nc1ccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)cc1 100040052 HRSLUAOZUWMGLI-UHFFFAOYSA-N 320.352 2.930 10 1 DFCF COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)c(OC)c1O 14645778 FKSLFBLGVHYQCL-SNVBAGLBSA-N 318.325 2.539 10 1 DFCF biogenic O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1Br 261172503 UAWWXQLOFBKULI-UHFFFAOYSA-N 309.115 2.797 10 1 DFCF C[C@H](O)c1cc2c(s1)C(=O)c1c([C@H](C)O)csc1C2=O 1648665 UCYRPWDOWLXJHZ-WDSKDSINSA-N 308.380 2.692 10 1 DFCF O=c1[nH]c2c3cc4c(cc3ccc2c2cc(O)c(O)cc12)OCO4 95485910 MVKJGDVWUACEIG-UHFFFAOYSA-N 321.288 2.974 10 1 DFCF biogenic,in-vitro COc1cc(C2=C(O)C=C3[C](O)C=C(O)C=C3O2)cc(O)c1O 2356822755 BLBZAMLPGFAHFX-UHFFFAOYSA-N 317.273 2.533 10 1 DFCF Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)s2)cc1O 142478684 SQQUCACGXUDDAS-UHFFFAOYSA-N 302.311 2.695 10 1 DFCF Cc1c(O)c(O)c2oc(-c3ccccc3)c(O)c(=O)c2c1O 14761198 JPYBEETXHUPGHX-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF biogenic O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)cc1Cl 42923092 HQZMNBKIMPEIKS-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc21 1857775215 TVBQSMGPUKULDB-UHFFFAOYSA-N 319.276 2.760 10 1 DFCF O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)OCc1ccccc1 1857550175 PNWJBLQUWZHYLS-VOTSOKGWSA-N 315.281 2.763 10 1 DFCF Cc1ccc(C)n1-c1cc2[nH]c(=O)c(=O)[nH]c2cc1C(F)(F)F 18004 VHKGDTRVEUWWOE-UHFFFAOYSA-N 323.274 2.643 10 1 DFCF Cc1ccc2c(n1)NC(=O)[C@@](Cc1ccccc1)(N=[N+]=[N-])C2=O 73351378 ZWKJGWRGUGNOSE-INIZCTEOSA-N 307.313 2.817 10 1 DFCF Cc1ccc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)cc1 238748326 NTOABOYFEFSHCA-UHFFFAOYSA-N 300.266 2.591 10 1 DFCF Cc1c(O)c(C)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 14727454 ZNUJOLBNNBAJGY-UHFFFAOYSA-N 314.293 2.899 10 1 DFCF biogenic CN1c2ccn(C)c2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 473086746 CNXZGOPCILWZGM-KRWDZBQOSA-N 306.369 2.653 10 1 DFCF CCOC(=O)c1cc(C)n(-c2cc(O)cc(C(=O)O)c2)c1C 587925372 GRHXKXPKHMNYFU-UHFFFAOYSA-N 303.314 2.675 10 1 DFCF CC1=C(O)[C@@H]2C(=O)C[C@@H](c3ccc(O)c(O)c3)O[C@H]2C(C)=C1O 2356551606 LSKGGQUKANSNCD-ZQIUZPCESA-N 318.325 2.791 10 1 DFCF CC(=O)N1N=C(c2ccccc2)O[C@H]1c1ccc(N(C)C)cc1 72179175 NMFSLQRXZQYPEH-SFHVURJKSA-N 309.369 2.992 10 1 DFCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1ccc(O)c3O)O2 587403626 JUDBYYSLQHYCKX-SFHVURJKSA-N 311.337 2.795 10 1 DFCF CC(=O)c1cc2c(s1)C(=O)c1scc(C(C)=O)c1C2=O 1648667 MNVOCRYKCUHENV-UHFFFAOYSA-N 304.348 2.990 10 1 DFCF Oc1c([C@H]2NCCc3nc4ccccn4c32)ccc(F)c1F 962986256 RQMWDTWPBFZXAS-CQSZACIVSA-N 301.296 2.553 10 1 DFCF CC(C)c1cnc2c(c1)C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857636293 KPJULSOXPGBWSR-UHFFFAOYSA-N 302.311 2.950 10 1 DFCF COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O 36430941 BLXSEOJIXHWXQJ-UHFFFAOYSA-N 304.298 2.999 10 1 DFCF in-vivo O=C1O/C(=C\c2ccc(O)cc2)C(O)=C1c1ccc(O)c(O)c1 1857637849 YDNNMFNMJFYGRK-AUWJEWJLSA-N 312.277 2.670 10 1 DFCF CC(=O)[C@H]1C(c2ccccc2)=NC(O)=N[C@@H]1c1ccc(O)c(O)c1 82144862 WUIIYALWCYDXBU-DOTOQJQBSA-N 324.336 2.761 10 1 DFCF Cc1nnc(/N=N/Cc2ccc(-c3ccccc3F)o2)n1N 169692005 BQDZRRUXKCNVCM-HTXNQAPBSA-N 300.297 2.983 10 1 DFCF O=[N+]([O-])c1ccc(-c2c[nH]nc2-c2ccc(O)c(O)c2O)cc1 1857567663 NLQPNNQLUZASHD-UHFFFAOYSA-N 313.269 2.769 10 1 DFCF C[C@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccncc1 1857568305 RZLWQWNJKVCAGE-LBPRGKRZSA-N 322.368 2.565 10 1 DFCF CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 1643609 JAWUYNKUGTXXBO-UHFFFAOYSA-N 318.380 2.815 10 1 DFCF Cc1c(Cc2ccccc2)c(=O)oc2c(C=O)c(O)c(O)cc12 221058648 HHENFSAPFSGSKN-UHFFFAOYSA-N 310.305 2.916 10 1 DFCF Oc1c([C@@H]2NCCc3nc4ccccn4c32)ccc(F)c1F 962986254 RQMWDTWPBFZXAS-AWEZNQCLSA-N 301.296 2.553 10 1 DFCF COc1ccc(CCCc2ccc(OC)c(O)c2O)cc1O 66251642 XEIIFLOQVMORAW-UHFFFAOYSA-N 304.342 2.996 10 1 DFCF C[C@H]1CC(=O)c2c(ccc3c2C(=O)c2c(O)cccc2C3=O)C1 238773504 OJKUVOIWXVOXCB-SECBINFHSA-N 306.317 2.933 10 1 DFCF O=C1c2c(ccc(O)c2O)CN1Cc1cc(F)c(F)cc1F 43009810 DFDSKQZNMKSUIX-UHFFFAOYSA-N 309.243 2.671 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1c(C)cc(C)cc1C 102425302 XNMJUOWDLYPHCO-WGKGOADCSA-N 303.391 2.526 10 1 DFCF O=C1c2cccc(O)c2C2=N[C@@H](CCCCO)Oc3cccc1c32 96937629 QVCZBMZMICRYNO-OAHLLOKOSA-N 323.348 2.655 10 1 DFCF O=c1cc(O)[c-](C/N=N/c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 169688543 WONOOTNYXWDCMW-OBGWFSINSA-N 312.265 2.540 10 1 DFCF O=C1c2cccc3ccc(-c4ccc(O)c(O)c4)c(c23)[C@H](O)[C@@H]1O 13462476 KYFLPCGJIAGYKZ-RBUKOAKNSA-N 322.316 2.509 10 1 DFCF endogenous,in-man O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)c(Cl)cc12 13586385 NXBASGHOYZCCJS-UHFFFAOYSA-N 320.684 2.936 10 1 DFCF CC[C@H](C)c1cc(I)c(O)c(CN)c1 29220122 AGZBETWYUQFGQO-ZETCQYMHSA-N 305.159 2.969 10 1 DFCF CSc1ncc(-c2ccc(OS(=O)(=O)O)cc2)s1 14772517 BPODYZMSQXZDSL-UHFFFAOYSA-N 303.386 2.714 10 1 DFCF biogenic COC(=O)Nc1nc2ccc(C(=O)c3sccc3O)cc2[nH]1 299863341 KZWLGDAWPKXIOP-UHFFFAOYSA-N 317.326 2.739 10 1 DFCF COc1c(-c2ccc(O)c(O)c2)oc2cc(O)ccc2c1=O 14756991 VBXMLZNGZPQAEI-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic CC(=O)N1N[C@H](c2c(O)cccc2O)C[C@@H]1c1ccc(C)cc1 28343392 LDIHTVZGYRFMGG-LSDHHAIUSA-N 312.369 2.945 10 1 DFCF O=c1cc(CNCc2ccc(F)cc2)oc2ccc(O)c(O)c12 71333119 BBSZFYQZBUFTIX-UHFFFAOYSA-N 315.300 2.633 10 1 DFCF Cn1cc2c3c1C(=O)c1[nH]cc(-c4ccc(O)cc4)c1C3=NCC2 14824225 AHSWTDRJRRNLLR-UHFFFAOYSA-N 317.348 2.664 10 1 DFCF biogenic Oc1ccc(-c2[o+]c3cc(O)c(O)c(O)c3cc2O)cc1O 4097730 PWDAKBACEAGRSH-UHFFFAOYSA-O 303.246 2.615 10 1 DFCF COc1cccc2c1C(=O)c1c(ccc3c(=O)cc(C)oc13)C2=O 29038284 RRGAABHOHNSLRZ-UHFFFAOYSA-N 320.300 2.885 10 1 DFCF CCNCCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O 72178694 DMUVDRYUTNAKJL-UHFFFAOYSA-N 309.365 2.840 10 1 DFCF O=C(CCCc1ccc(O)c(O)c1)C[C@H](O)Cc1ccccc1 49784295 IKYDIANNIUOUBU-QGZVFWFLSA-N 314.381 2.983 10 1 DFCF COc1cc([C@@H]2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O 2356867475 WSCYJQCCQBLFPP-INIZCTEOSA-N 318.281 2.550 10 1 DFCF CC[C@@H](O)[C@H]1Cc2c(C)cc3c(c2O1)C(=O)c1ccccc1C3=O 5887311 XCZPSKZKNPMOFK-HZPDHXFCSA-N 322.360 2.845 10 1 DFCF Oc1ccc([C@@H]2CNCCc3cc(O)c(O)c(Cl)c32)cc1 26391719 CRJGDSGGGKHTJR-LBPRGKRZSA-N 305.761 2.734 10 1 DFCF O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2[nH]c3ccccc3c21 8872 CMDAFIAGTOCRGL-UHFFFAOYSA-N 314.300 2.730 10 1 DFCF COc1ccc2c(C(C)=O)c3c(n2c1)C(=O)c1ccccc1C3=O 73222966 NCWBQAPJWAXKJY-UHFFFAOYSA-N 319.316 2.926 10 1 DFCF CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1C2=O 299827019 FTRDDHJZSCEVGF-UHFFFAOYSA-N 303.317 2.797 10 1 DFCF Cc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1O 40860093 QPBRDTHWNDBBQR-UHFFFAOYSA-N 308.341 2.593 10 1 DFCF Cn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 95582417 LWVGQCPNKFYRIV-UHFFFAOYSA-N 306.277 2.658 10 1 DFCF Cc1n(C2CC2)c2c([n+]1CC(C)C)C(=O)c1ccccc1C2=O 1857594887 BYBCYQOGLDPKIR-UHFFFAOYSA-N 309.389 2.850 10 1 DFCF CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1cccc(Cl)c1C 102277451 ZRCTWNUFYGPSRA-JRELAMLQSA-N 309.782 2.562 10 1 DFCF O=C(O)c1cc(O)c(O)c2c1c([N+](=O)[O-])cc1c(O)cccc12 14815446 PRUWEZPTRAKXLQ-UHFFFAOYSA-N 315.237 2.716 10 1 DFCF CO[C@H]1C(=O)O[C@H](C)c2c(O)c(O)c3c(c21)CCC(C)(C)O3 13460564 VKCBFLWECIFSKY-NXSYQRQQSA-N 308.330 2.507 10 1 DFCF biogenic C[C@H](O)c1csc2c1C(=O)c1sc([C@@H](C)O)cc1C2=O 1648666 UCYRPWDOWLXJHZ-NTSWFWBYSA-N 308.380 2.692 10 1 DFCF CC(C)[C@H]1C(=O)N(CC2CC2)c2sc3ccccc3[n+]2C1=O 100974258 ZKTUYKQOJWCNPL-AWEZNQCLSA-N 315.418 2.858 10 1 DFCF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587235118 LIFRMJSDHQYUBG-UONOGXRCSA-N 322.368 2.787 10 1 DFCF COc1ccc(-c2cc(=O)oc3c(O)c(O)ccc23)cc1OC 198414676 UMKDYUUNPVMWJZ-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF Cc1cccc(CNCc2cc(=O)c3c(O)c(O)ccc3o2)c1 71331465 BEAWTGYMQXOZPL-UHFFFAOYSA-N 311.337 2.802 10 1 DFCF Cc1cc(-c2oc3cc(O)ccc3c(=O)c2O)c(C)c(O)c1O 1857617805 RHBSNFVLCOHIMD-UHFFFAOYSA-N 314.293 2.899 10 1 DFCF COc1cccc2c1C(=O)c1c(-c3ccncc3)noc1C2=O 84725553 XCGSCVKPCIDIRC-UHFFFAOYSA-N 306.277 2.521 10 1 DFCF Cc1nc(-c2coc3c(CN(C)C)c(O)ccc3c2=O)cs1 5523495 MGIGERPBZUVAMJ-UHFFFAOYSA-N 316.382 2.992 10 3 DFCF CCOC(=O)c1sc2c(c1N)c1c(c3nncn32)CCCC1 66112645 SPMWAEYMXZJHFM-UHFFFAOYSA-N 316.386 2.582 10 1 DFCF c1cc(C/N=N/c2ncnc3c2cnn3-c2ccncc2)ccn1 169685249 SREKGUZZOYIOTP-XTQSDGFTSA-N 316.328 2.889 10 1 DFCF COc1ccccc1NC1=NC(=O)/C(=C/c2cnn(C)c2)S1 95755408 ITRDQBUTYZTMEP-QPEQYQDCSA-N 314.370 2.511 10 1 DFCF O=C1c2ccccc2C(=O)c2[nH]c(Cc3ccccc3F)nc21 12948778 PIDUVAFPMCGDFA-UHFFFAOYSA-N 306.296 2.915 10 1 DFCF COc1ccc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1 198900330 JEZFNZYDHOGRAZ-UHFFFAOYSA-N 304.305 2.861 10 1 DFCF COC(=O)/C=C1\C[C@H](O)C[C@@H](N=[N+]=[N-])[C@@H]1OCc1ccccc1 13558385 MFRCLHKBEIWYNP-PSHIAKAUSA-N 317.345 2.505 10 1 DFCF COc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1OC 6484623 BSLAOCJVMOGUKX-WUKNDPDISA-N 321.358 2.767 10 1 DFCF N[C@@H]1CCc2c(Cl)cc(I)c(O)c21 27656447 CEULTHJKRUUWCN-SSDOTTSWSA-N 309.534 2.596 10 1 DFCF COc1nc2sccn2c1/C=C1/C(=O)N(C)c2ccccc21 84670871 UADXXKDWMVXBLP-PKNBQFBNSA-N 311.366 2.921 10 1 DFCF CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)OCC)N2 13151530 FJJLPVNOCGEDMO-ZENOOKHLSA-N 315.369 2.880 10 1 DFCF Cc1cc(/N=N/Cc2ccccc2O)nc(N2CCOCC2)n1 169694018 VTLGONVGSCQRNK-LVZFUZTISA-N 313.361 2.611 10 1 DFCF Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1cccc(-c2nnn[nH]2)c1 73196180 ADSRTAWXDVXJPP-VOTSOKGWSA-N 310.317 2.522 10 1 DFCF COc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)CC2=O 14728387 QTTYVGOKKRMQEG-AWEZNQCLSA-N 302.282 2.519 10 1 DFCF biogenic CC1=NN(C(=O)CN2CCC[C@@H](C)C2)[C@@H](c2ccccc2O)C1 653729252 QOTMVBVSIZDIIU-CZUORRHYSA-N 315.417 2.773 10 1 DFCF COc1cc2c(c(O)c1C)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 238785127 DHFNKQLCKYISKC-CQSZACIVSA-N 316.309 2.827 10 1 DFCF COCC(=O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587562781 FVKMQHGLOSNQBN-UHFFFAOYSA-N 311.341 2.695 10 1 DFCF COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(O)cc3[N@@+]1(C)CC2 257440150 HVZWFRMKXRRMBK-AUUYWEPGSA-O 314.361 2.603 10 1 DFCF endogenous,in-man CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccccc1O 17218448 GZGQOCYODSZNHY-VBKFSLOCSA-N 320.348 2.763 10 1 DFCF C[C@@H](Cc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 26971327 OLUBGMZCRFCJRU-LRDDRELGSA-N 313.397 2.882 10 1 DFCF CC1=NN(C(=O)Cn2ccnc2)[C@H](c2cc(Cl)ccc2O)C1 299869226 UHDHDYSQLMWEHE-ZDUSSCGKSA-N 318.764 2.592 10 1 DFCF COc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1OC 64573587 KUNCGTYSPIQFJV-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF COc1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)cc(O)c1O 587784932 FNNDUNJWUSDFRC-HYXAFXHYSA-N 312.325 2.645 10 1 DFCF CC1CCN(c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)CC1 29205921 FZWHCHMWMYTASG-UHFFFAOYSA-N 318.808 2.509 10 1 DFCF O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccccc1F 36381409 XCWKQRAFROWWIM-UHFFFAOYSA-N 318.329 2.880 10 3 DFCF COc1cc2c3c(c1)O[C@]1(CCc4cc(O)c(O)cc41)[C@@H](C2)C3=O 587452334 SLUQKURQCAJVTF-DJJJIMSYSA-N 324.332 2.696 10 1 DFCF O[C@H]1C[C@@H](Nc2ccc(N=Nc3ccccc3)cc2)OC[C@H]1O 253982898 MKDQKKFKZDPVME-BBWFWOEESA-N 313.357 2.982 10 3 DFCF CCOC(=O)Cn1c(O)c(/N=N\C(=O)OC)c2ccccc21 102874628 ANTXDGDQNMCISH-NXVVXOECSA-N 305.290 2.760 10 1 DFCF COc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1O 64560620 TVPSMYDMCPBQFX-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF c1ccc2c(NCCN3CCNCC3)c3ccccc3nc2c1 22864270 CUOLMMWRTNSMRJ-UHFFFAOYSA-N 306.413 2.705 10 1 DFCF COc1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)cc(O)c1O 587785181 IOSVSUBPYWGOKY-NSCUHMNNSA-N 318.720 2.597 10 1 DFCF CN1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1O 4020249 GJFPLEFPQYVQJN-BMFZPTHFSA-N 306.362 2.598 10 1 DFCF COc1cc([C@@H]2Oc3c(O)c(O)cc(O)c3C=C2O)ccc1O 100076884 WAEVERGFBDIDOH-HNNXBMFYSA-N 318.281 2.550 10 1 DFCF biogenic,in-vitro COc1c(O)c(O)cc2c1C=C[C](c1ccc(O)c(O)c1)O2 2356858598 AHGUVESHAYGTFM-UHFFFAOYSA-N 301.274 2.503 10 1 DFCF NC(=O)OCc1cc2c(c3c1CCC3)C(=O)c1ccccc1C2=O 26674898 ONHBWHLUFGPRGM-UHFFFAOYSA-N 321.332 2.546 10 1 DFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(Cl)c1 42922561 RZMMKEUISXPWCN-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF in-vitro O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(Cl)c1F 43023318 WMFOJSRDGWZYSC-UHFFFAOYSA-N 321.691 2.687 10 1 DFCF in-vitro CN(C)c1ccc(/C=C/C(=O)n2nnnc2-c2ccccc2)cc1 1857584823 USPVCXKCSLEJRQ-JLHYYAGUSA-N 319.368 2.760 10 1 DFCF O=C(Nc1nnc(-c2ccc(O)c(O)c2)s1)c1ccccc1 109552193 YXXBKJCOAZAWIX-UHFFFAOYSA-N 313.338 2.869 10 1 DFCF COc1ccc2c(c1)C(=O)c1c(OC)c(OC)cc3c1C2=NCC3 14588333 VBFVDZXMKBJFKN-UHFFFAOYSA-N 323.348 2.650 10 1 DFCF biogenic O=c1oc(Oc2ccc(Cl)cc2)nn1-c1ccc(O)c(O)c1 43206281 NLWUQNVDUOHGIP-UHFFFAOYSA-N 320.688 2.682 10 1 DFCF in-vitro COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@H]3NCC2 14725312 GYBZIPUTSFKFHR-LLVKDONJSA-N 313.353 2.525 10 1 DFCF biogenic COc1c(-c2ccccc2)oc2c(O)c(O)c(C)c(O)c2c1=O 14761199 IFIXOQWXDOUKGO-UHFFFAOYSA-N 314.293 2.894 10 1 DFCF biogenic C[C@@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)ccc2C1 26977834 ABYJLDWKGMEKMM-LRDDRELGSA-N 313.397 2.882 10 1 DFCF Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26833226 JLJGUVLGBDDOHL-HZPDHXFCSA-N 315.369 2.626 10 1 DFCF O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(F)cc1 66111844 ZPLJVEYEKBDFPG-UHFFFAOYSA-N 318.329 2.880 10 1 DFCF Oc1ccc(-c2noc3c2CCc2cc(O)c(O)cc2-3)cc1O 169348323 OOIMRSUYXKVJGR-UHFFFAOYSA-N 311.293 2.930 10 1 DFCF Cc1cc(C(=O)OC(C)(C)C(N)=O)c(C)n1-c1ccc(F)cc1 95615481 LODBHTKIGFXDSJ-UHFFFAOYSA-N 318.348 2.654 10 1 DFCF O=c1cc(/C=C/c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12 103186562 ZDRHYRLHRQLQRT-HNQUOIGGSA-N 312.277 2.786 10 1 DFCF O=C(/C=C/c1cc(O)c(O)cc1O)OCCc1ccccc1 1642254 QJEKLVWUQDJCQE-VOTSOKGWSA-N 300.310 2.603 10 1 DFCF O=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)cc2N1 115888522 BTIJTIZKSUGYMC-INIZCTEOSA-N 310.353 2.595 10 1 DFCF CCCN(CCC)[C@H]1CCc2cccc(OC(=O)C=[N+]=[N-])c2C1 28022901 BCDHSOYUIUINNE-HNNXBMFYSA-N 315.417 2.872 10 1 DFCF COc1ccc([C@@H]2COc3c(ccc(O)c3O)C2)c(OC)c1O 14645776 FKSLFBLGVHYQCL-JTQLQIEISA-N 318.325 2.539 10 1 DFCF biogenic O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)c(F)c1F 43011312 JXDHAQHESHLIOQ-UHFFFAOYSA-N 309.243 2.671 10 1 DFCF COc1cc(OC)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 13340172 WRWXEWJZGBTCEB-UHFFFAOYSA-N 314.293 2.888 10 1 DFCF biogenic Oc1cc2c(cc1O)CN(C(=S)NCCc1ccccc1)C2 1857595827 AWDNJHWOJCRBJP-UHFFFAOYSA-N 314.410 2.531 10 1 DFCF Cc1ccc(C=C[C@H](c2ccc(O)c(O)c2)[C@@H](O)CO)cc1 2356572837 PUDJVOUPUJHFDP-QAPCUYQASA-N 300.354 2.556 10 1 DFCF COC(=O)[C@@H]1COC(c2cc(C)n(-c3ccc(F)cc3)c2C)=N1 95614982 RIWRQJDQRQUGKI-HNNXBMFYSA-N 316.332 2.552 10 1 DFCF COc1cc2oc(=O)cc(-c3ccc(O)c(O)c3)c2cc1O 13340180 IGHVYQBBZBLNDW-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF biogenic,in-vitro CC(=O)[C@@H]1C(c2ccccc2)=NC(=O)N[C@H]1c1ccc(O)c(O)c1 169688872 WUIIYALWCYDXBU-WBVHZDCISA-N 324.336 2.557 10 1 DFCF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2O)N1 34951616 XAVCGIXOYOYBPX-DOTOQJQBSA-N 322.364 2.650 10 1 DFCF C[C@@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)ccc2C1 26977816 ABYJLDWKGMEKMM-BLLLJJGKSA-N 313.397 2.882 10 1 DFCF O=C1c2cccc(O)c2C2=N[C@H](CCCCO)Oc3cccc1c32 96937628 QVCZBMZMICRYNO-HNNXBMFYSA-N 323.348 2.655 10 1 DFCF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(N(C)C)cc1 2356772893 LRBSKRXXNDZCPJ-ZIFCJYIRSA-N 301.478 2.963 10 1 DFCF CCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29253800 QVPSRXJPGZCFRM-LBPRGKRZSA-N 312.321 2.707 10 1 DFCF CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)OCC)N2 2483078 FJJLPVNOCGEDMO-IOASZLSFSA-N 315.369 2.880 10 3 DFCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCCC1)C(C)(C)C2 26171267 MKNRRMWLOOGXCH-GOSISDBHSA-N 316.445 2.844 10 1 DFCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(O)c(O)cc31)O2 587402696 BIFFCPULRQDTNB-SFHVURJKSA-N 311.337 2.795 10 1 DFCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1ccc(O)c3O)O2 587403624 JUDBYYSLQHYCKX-GOSISDBHSA-N 311.337 2.795 10 1 DFCF COc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 206038185 KLNBBKIODNMWNW-UHFFFAOYSA-N 300.266 2.585 10 1 DFCF CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)OCC)N2 104241397 FJJLPVNOCGEDMO-XEZPLFJOSA-N 315.369 2.880 10 1 DFCF O=C1c2c(ccc(O)c2O)Cc2ccc3cc(O)c(O)cc3c21 225875545 JVHPHICVGHVBFL-UHFFFAOYSA-N 308.289 2.797 10 1 DFCF CC(C)OC(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299834891 VQIHFDBTEJOOKU-UHFFFAOYSA-N 316.334 2.794 10 1 DFCF O=C1/C(=C/c2ccncc2)SC(=S)N1Cc1ccncc1 169327333 DBXDLMPRMMAMCJ-LCYFTJDESA-N 313.407 2.878 10 1 DFCF Oc1ccccc1CNCCCCNCc1ccccc1O 103241369 AVYDEJXAPPCWJC-UHFFFAOYSA-N 300.402 2.757 10 1 DFCF COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1OC 28529390 AAGYADWKQQGHLZ-SFHVURJKSA-N 312.321 2.898 10 1 DFCF O[C@H]1C[C@H](Nc2ccc(/N=N\c3ccccc3)cc2)OC[C@H]1O 102623503 MKDQKKFKZDPVME-IIGMVCTCSA-N 313.357 2.982 10 1 DFCF Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12 45283773 QUTRAQZQLRYVES-UHFFFAOYSA-O 308.313 2.863 10 1 DFCF Nc1ccc(C[C@H](N)c2csc(Nc3ncccn3)n2)cc1 61897146 QCAXBFJHQPBNGN-LBPRGKRZSA-N 312.402 2.501 10 3 DFCF C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2c(O)cccc2C3=O)C1 2356640091 OJKUVOIWXVOXCB-VIFPVBQESA-N 306.317 2.933 10 1 DFCF CCN(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 95591178 WWXKIYNBYXFAJS-UHFFFAOYSA-N 319.364 2.790 10 1 DFCF CC[C@@H](O)[C@@H]1Cc2c(C)cc3c(c2O1)C(=O)c1ccccc1C3=O 5887297 XCZPSKZKNPMOFK-CVEARBPZSA-N 322.360 2.845 10 1 DFCF Cc1cc(O)c2c(c1)C(=O)c1c(Cl)c(O)cc(O)c1C2=O 13386743 BHPXQYXFPVEKFE-UHFFFAOYSA-N 304.685 2.541 10 1 DFCF biogenic CN(C)c1ccc(O)c(CNCCc2ccc([N+](=O)[O-])cc2)c1 28387361 QYLJAQYCWCNDAI-UHFFFAOYSA-N 315.373 2.699 10 1 DFCF CN(CCO)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587193348 ZHLVTNKEAZQLGI-UHFFFAOYSA-N 302.765 2.707 10 1 DFCF OB1Oc2ccc3cc(O)ccc3c2C=C1c1ccc(O)c(O)c1 1857575151 SBZNPOPGBHXOEC-UHFFFAOYSA-N 320.109 2.909 10 1 DFCF O=C1O[C@@H](c2ccc(O)c(O)c2)CC1=Cc1ccc(O)c(O)c1 2356512013 UBOOMSUOPIZYEU-MRXNPFEDSA-N 314.293 2.581 10 1 DFCF Oc1ccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1 95565817 VEJVQTWUKUQWPK-KBRIMQKVSA-N 311.381 2.979 10 1 DFCF COc1c(O)ccc2c1O[C@@H](c1ccc(O)c(O)c1)CC2=O 14728388 QTTYVGOKKRMQEG-CQSZACIVSA-N 302.282 2.519 10 1 DFCF biogenic COc1ccc2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)CC2=O 14728187 LZNBPKVQGLKRKQ-CQSZACIVSA-N 302.282 2.519 10 1 DFCF biogenic COc1cc(C(=O)NCc2ccccc2O)ccc1-c1cn[nH]c1 221717482 VUBPZMQVSBNQNU-UHFFFAOYSA-N 323.352 2.721 10 1 DFCF O=C1COc2ccc(N3CCc4ccc(F)cc4CC3)cc2N1 1857628404 RRMBAWIACPZZIB-UHFFFAOYSA-N 312.344 2.762 10 1 DFCF Cc1cc(=O)n2nc(N)c(N=Nc3ccc(Cl)cc3)c2[nH]1 958520494 MFCWWCVIBPEJJP-UHFFFAOYSA-N 302.725 2.982 10 1 DFCF C[C@H](N=N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 169694216 CPJBMGRCRXWCCI-JTQLQIEISA-N 318.344 2.910 10 1 DFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1cccc(O)c1 95590910 BMRZTRKGKVEFJG-MRXNPFEDSA-N 312.325 2.501 10 1 DFCF COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(O)cc3[N@+]1(C)CC2 257440152 HVZWFRMKXRRMBK-KUHUBIRLSA-O 314.361 2.603 10 1 DFCF endogenous,in-man COc1cc2c3c(c1)O[C@@]1(CCc4cc(O)c(O)cc41)[C@@H](C2)C3=O 587452335 SLUQKURQCAJVTF-ORAYPTAESA-N 324.332 2.696 10 1 DFCF