smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1c2c(O)ccc(NCCNCCO)c2C(=O)c2c(Cl)ccc(Cl)c21 29410143 UYAGRFFLAJYOIQ-UHFFFAOYSA-N 395.242 2.468 10 1 GECF COc1ccc(C[C@@H]2c3c(cc4c(c3O)OCO4)CCN2C)c(CO)c1OC 14612477 RFBYWNZQDSXRGS-OAHLLOKOSA-N 387.432 2.402 10 1 GECF biogenic CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(OC)cccc1C3=O 5372313 IQFGMEVOAMVELQ-MQJDWESPSA-N 384.384 2.003 10 1 GECF biogenic CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](OC)O2 2356646373 ZORZPKUBRKXKSU-SFHVURJKSA-N 376.317 2.495 10 1 GECF C/C=C\c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](OC)O2 207601340 ZORZPKUBRKXKSU-PYTPGESOSA-N 376.317 2.495 10 1 GECF Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(I)c(O)c1C2=O 169347418 XWUIJWHWNCVUIJ-UHFFFAOYSA-N 396.136 2.492 10 1 GECF CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](OC)[C@H]1OC 2178317147 MGHBQBNZZGASQE-GQYVTKONSA-N 377.397 2.323 10 1 GECF COc1c(O)c(OC)c2oc(-c3cc(O)c(O)c(O)c3)c(OC)c(=O)c2c1O 14616658 STOZTZBHYTVXHP-UHFFFAOYSA-N 392.316 2.014 10 1 GECF biogenic COc1cc([C@H](O)[C@@H]2CNCCc3cc(O)c(O)cc32)cc(OC)c1OC 40766711 QOXCHICYLMYKFV-KUHUBIRLSA-N 375.421 2.087 10 1 GECF [N-]=[N+]=N[C@H]1C[C@H](n2cc(-c3cc(-c4ccccc4)on3)c(O)nc2=O)O[C@@H]1CO 474609471 QJEIMQBTWUOPSI-NUEKZKHPSA-N 396.363 2.230 10 1 GECF COc1cc2c(c(O)c1[C@H]1CCCCN1)C(=O)c1c(O)cc(CO)cc1C2=O 205731161 DXMULCXGQLNVQF-CYBMUJFWSA-N 383.400 2.189 10 1 GECF CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)cc1 169325773 YAGSXACUZBIQGP-ISLYRVAYSA-N 396.498 2.022 10 1 GECF CN(C)/[N+]([O-])=N/Oc1cc(Nc2ccc(CO)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 29063430 RHBONXJXWDGGKE-FXBPSFAMSA-N 392.328 2.472 10 1 GECF CN1C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O 1772641051 RLCZNEAUKRPLDT-CVEARBPZSA-N 394.814 2.209 10 1 GECF COC(=O)c1c(OC(C)=O)cc2c(c1C)C(=O)c1c(OC(C)=O)cccc1C2=O 238757223 ULSZTGLCCFOFBV-UHFFFAOYSA-N 396.351 2.408 10 1 GECF CN(C)c1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 117378012 SIZUTXILIWZSBX-UHFFFAOYSA-N 392.503 2.472 10 1 GECF COc1cc(O)c(Cl)c2c1C(=O)c1c(O)c(C(=O)O)c(C)c(O)c1C2=O 14760967 XSCVDBJFNQILJT-UHFFFAOYSA-N 378.720 2.247 10 1 GECF biogenic COC(=O)C1=C(C)CC(=O)c2c1cc1c(c2O)C(=O)c2c(O)cccc2C1=O 12504118 QHNJNOBWURJIEK-UHFFFAOYSA-N 378.336 2.406 10 1 GECF in-vivo COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2CC(=O)NCC1CC1 1857535162 CNVWMBZBRFRGIC-UHFFFAOYSA-N 385.508 2.359 10 1 GECF CCN1C(=O)[C@@H]2[C@@H](N=C(N=[N+]=[N-])N2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 40943168 DCDYUOIGFONWJC-UGUYLWEFSA-N 394.439 2.024 10 1 GECF O=C(O)[C@@H]1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1 2356784219 NQXPVCMHNAAPCA-ZJUUUORDSA-N 399.355 2.160 10 1 GECF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccccc2O)[C@H]1NC(C)=O 213841673 FDCLDMFEMJHDFZ-DFQSSKMNSA-N 390.480 2.344 10 1 GECF C/C=C1\C[C@H]2[C@@H]3N(C1)[C@@H]1C[C@]4(c5cc(OC)ccc5N(C)[C@]34O1)[C@@H]2C(=O)OC 238776050 FGCMZAMGOPMONJ-RARRGDCLSA-N 382.460 2.279 10 1 GECF CC=C1C[C@@H]2[C@H](C(=O)OC)[C@@]34C[C@H]5O[C@@]3([C@@H]2N5C1)N(C)c1ccc(OC)cc14 2356607204 FGCMZAMGOPMONJ-CSQOMPSQSA-N 382.460 2.279 10 1 GECF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN=[N+]=[N-])cc1 95807868 HJTVDZQDAVJZOB-KRWDZBQOSA-N 387.465 2.311 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cnc3[nH]2)c1 586948993 OEAFXLHUBAALNZ-UHFFFAOYSA-N 383.227 2.465 10 1 GECF CN(CS(=O)(=O)O)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1 45257277 VFJFILTXOYUJNN-WUKNDPDISA-N 384.439 2.031 10 1 GECF Cc1ccc(S(=O)(=O)N[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2ccnc2)cc1 102956319 YBRWLBVYGATHBO-QZTJIDSGSA-N 395.440 2.159 10 1 GECF O=C1c2c(cc(O)c([C@@H]3CCCCN3)c2O)O[C@H](c2ccc(O)c(O)c2)[C@@H]1O 1772641101 VAJOHHMIRONBOV-BHHOUSDISA-N 387.388 2.001 10 1 GECF COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)cc1OC 40394378 QULPZAWZSPGYTL-UHFFFAOYSA-N 381.395 2.094 10 1 GECF Cc1c(O)ccc2c1[C@@](C)(c1c(O)ccc3ccc(=O)oc13)N[C@H](C(=O)O)C2 963511072 STMQDXFAACDQCM-ZSEKCTLFSA-N 381.384 2.375 10 1 GECF CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@@H]1O2 95899464 GPFYAHQBAZFVLI-QXPQREGVSA-N 396.487 2.454 10 1 GECF CC[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(OC)cccc1C3=O 5372315 IQFGMEVOAMVELQ-WIUDPPPLSA-N 384.384 2.003 10 1 GECF biogenic O=C1c2c(cc(O)c([C@@H]3CCCCN3)c2O)O[C@H](c2ccc(O)c(O)c2)[C@H]1O 1772641104 VAJOHHMIRONBOV-UUADDVKTSA-N 387.388 2.001 10 1 GECF O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4ccccc4O)nn3)SC[C@@H]2N1 1772627066 DEPVTLXNPGJWFY-SZMVWBNQSA-N 387.509 2.300 10 1 GECF C[C@@H](OC(=O)c1ccc(O)c(O)c1)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1 1857632001 QHUNTUHFKWQKGA-JHDKWRLESA-N 397.383 2.016 10 1 GECF COc1ccc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2ccccc12 28711283 YIASRPZMEURUSM-UHFFFAOYSA-N 378.428 2.194 10 1 GECF COC(=O)CC(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95594416 NNGMMCIGIBPERS-UHFFFAOYSA-N 376.368 2.252 10 1 GECF CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169294510 NTAYQQFNWIOEMY-QLDGJZPUSA-N 394.427 2.071 10 1 GECF CCOC(=O)[C@@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@H]1c1ccc(O)c(O)c1 2356713645 OCKABMGRENACSE-QZTJIDSGSA-N 386.356 2.302 10 1 GECF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@H]3C=CC(=O)OC[C@@H]3CN12 2356444787 IWLOQDNPIAIHNV-WXRFYESLSA-N 380.444 2.368 10 1 GECF CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccsc1C2=O 26579915 UEJWVBPPDADJMB-UHFFFAOYSA-N 386.521 2.471 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2 299821807 GQCIUKYLYQCJPL-PXIXMTEYSA-N 384.388 2.179 10 1 GECF CCOC(=O)c1c2c(n(-c3ccc(OC)cc3)c1N)C(=O)c1ncccc1C2=O 40875362 CXCGBDFMOBSNDB-UHFFFAOYSA-N 391.383 2.415 10 1 GECF COc1cc(Cn2cc(C(=O)C(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc(OC)c1 96932332 NPWQPPWENGRVQI-UHFFFAOYSA-N 396.359 2.317 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 214228183 RCEWLGWTZHROAQ-ILWWCXPUSA-N 384.388 2.179 10 1 GECF CC[C@@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356436028 XZJYKUUICHREKF-ZAUVIXRXSA-N 388.464 2.306 10 1 GECF Cc1oc2c(c1C(=O)OCCC[n+]1ccccc1)C(=O)c1ncccc1C2=O 1857538443 TWJHYHWQQYXWFA-UHFFFAOYSA-N 377.376 2.293 10 1 GECF CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O 1772641052 RLCZNEAUKRPLDT-HOTGVXAUSA-N 394.814 2.209 10 1 GECF O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3cccnc3c2O)CC1 45350752 FUJVDKOTZSYCQB-UHFFFAOYSA-N 383.473 2.447 10 1 GECF CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O 1772641054 RLCZNEAUKRPLDT-JKSUJKDBSA-N 394.814 2.209 10 1 GECF CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 95899461 GPFYAHQBAZFVLI-YZBYQZESSA-N 396.487 2.454 10 1 GECF COc1cc(Cn2cc(C(=O)C(=O)c3ccccc3OC)nn2)cc(OC)c1 96932328 KAHZNSPDVMIJSV-UHFFFAOYSA-N 381.388 2.418 10 1 GECF C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](OC)O2 40935249 ZORZPKUBRKXKSU-SHCNBLLESA-N 376.317 2.495 10 1 GECF CCN1C(=O)[C@@H]2[C@H](N=C(N=[N+]=[N-])N2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 40943172 DCDYUOIGFONWJC-FXUDXRNXSA-N 394.439 2.024 10 1 GECF CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](Sc3ccccc3)[C@@H]2O)cc1 2356862578 VCGZLJXPYLLWRN-XKRYSZRTSA-N 386.517 2.488 10 1 GECF CN1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1 72125204 JHBPJZUMWKMVOH-UHFFFAOYSA-N 382.416 2.324 10 1 GECF COc1cc(C=CC(=O)OCC(=O)[C@H](OC)c2ccc(O)c(O)c2)ccc1O 2356609961 BMUMFENOGAOBAV-HXUWFJFHSA-N 388.372 2.325 10 1 GECF [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335165 KSNOINXULVHITF-VPWXQRGCSA-N 399.378 2.122 10 1 GECF O=C1c2ccccc2C(=O)c2c1nc(-c1ccccn1)n2CCN1CCOCC1 1857752536 CNHKCWWHUWHHSM-UHFFFAOYSA-N 388.427 2.053 10 1 GECF COc1cc2c(c(O)c1O)C(=O)[C@@H](OC)[C@H](c1cc(O)c(OC)c(OC)c1)O2 2356330650 UILSQFXJBUZWGA-PKOBYXMFSA-N 392.360 2.161 10 1 GECF CCc1ccc(N2C(=O)[C@H]3[C@H](CN(C)C34C(=O)c3ccccc3C4=O)C2=O)cc1 1772653825 BMWMIFFFCMWDDW-ZWKOTPCHSA-N 388.423 2.118 10 1 GECF CN1CCN(c2cc(NCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1 2457329 WZXAYZBBZDOVJZ-UHFFFAOYSA-N 392.415 2.288 10 1 GECF CC=C1CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)O 2356594659 YARGAIDQWIPKBF-SGEJSFPDSA-N 398.459 2.199 10 1 GECF CC[C@@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356436027 XZJYKUUICHREKF-VXAPYIKBSA-N 388.464 2.306 10 1 GECF CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O 58537900 OHWPXNCKGWEEQM-GQNMWPQZSA-N 388.416 2.184 10 1 GECF CC(=O)N1CCN(c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)CC1 219767002 BNQVWIYOTQBZFA-UHFFFAOYSA-N 392.440 2.135 10 1 GECF O=C(NCCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O 3647623 JWUBPLNIABBTRS-UHFFFAOYSA-N 388.420 2.229 10 1 GECF in-vitro CC1=C(c2ccc3[nH]c(-c4ccc(N(C)CCO)cc4)nc3c2)NNC(=O)C1 587193321 YOIXAVHVTXMBIH-UHFFFAOYSA-N 377.448 2.414 10 1 GECF CNCCc1c(OC)c2c(c3c1C(=O)C(=O)c1cc(OC)c(OC)cc1-3)OCO2 238774138 KTCSUBLHAZYDSH-UHFFFAOYSA-N 399.399 2.249 10 1 GECF O=C(NCCCC[C@H]1CN=C(c2cccc(O)c2O)N1)c1c(O)cccc1F 1857554928 VGEWCGWHXFQVHH-LBPRGKRZSA-N 387.411 2.261 10 1 GECF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C 95660953 FXVQNSHCZWCEJT-KXBFYZLASA-N 390.528 2.200 10 1 GECF COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(OC)c(O)c1 2356606538 TUYFFOLCPXHZKL-GOSISDBHSA-N 388.372 2.153 10 1 GECF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@@]23C 2356435890 ROMKGHRUHZIGOA-IFLLWUCHSA-N 392.448 2.234 10 1 GECF O=C(N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(=O)c(O)cc21)C(F)(F)F 3808540 NFYKADOLBDURBY-JTQLQIEISA-N 397.305 2.202 10 1 GECF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc(O)c1O 238788402 LETYTGSICBFRCZ-KUHUBIRLSA-N 376.405 2.250 10 1 GECF COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(OC)c(O)c1 2356606539 TUYFFOLCPXHZKL-SFHVURJKSA-N 388.372 2.153 10 1 GECF COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(OC)c(O)c1 71411369 TUYFFOLCPXHZKL-KRZKXXONSA-N 388.372 2.153 10 1 GECF [N-]=[N+]=NCCOc1nc(Cl)nc(Nc2ccc(N3CCOCC3=O)cc2)n1 1857747615 OOLFXAZNBBUFST-UHFFFAOYSA-N 390.791 2.321 10 1 GECF COc1cc(C[C@H](O)c2ccc(N3CCNCC3)cc2)c([N+](=O)[O-])cc1OC 1857761817 PPJWMOGZMFHJRJ-SFHVURJKSA-N 387.436 2.298 10 1 GECF Nc1cc(N)c(S(=O)(=O)O)cc1N=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2356841642 YELYYJBDBXBBTL-UHFFFAOYSA-N 398.313 2.035 10 1 GECF COc1cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2OC)cc(OC)c1O 15271616 NIGNLUGNIQKBLO-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic COc1ccc(N2CCN(C(=O)Nc3cnc4ccccn4c3=O)CC2)cc1 95578396 WALQXVUSSKYZER-UHFFFAOYSA-N 379.420 2.057 10 1 GECF NC1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)CC1 299819788 FQHJTRQJAVWBJV-UHFFFAOYSA-N 391.427 2.278 10 1 GECF Cc1occ2c1C(=O)c1c(cc(O)c(O)c1O)[C@@]21NC(=O)c2ccccc2N1 2356327793 IJICXCRLPKFODZ-HXUWFJFHSA-N 378.340 2.306 10 1 GECF COc1cc(OC(C)=O)c2c(c1OC(C)=O)C(=O)c1cc(C)c(O)cc1C2=O 84759518 RWVRONLNHLLXPN-UHFFFAOYSA-N 384.340 2.335 10 1 GECF C[C@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C[C@@H](O)[C@@H]1O 31161115 QCQOZKQMMJTMPI-FIILERQRSA-N 384.384 2.443 10 1 GECF N=[N+]=N[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=N)O)N(C(=O)CCCc2ccccc2)C1 98208489 MSQNNNMEZVPGEM-ULQDDVLXSA-O 399.475 2.055 10 1 GECF in-vitro C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c5cccnc5n(C)c4c3)C[C@H]12 27868249 HELARHSWSABEBU-FDOKIQAASA-N 377.400 2.134 10 1 GECF CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC 5004091 INYMGFOOIHFPOO-HTAPYJJXSA-N 396.395 2.217 10 1 GECF biogenic C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O 26259024 GESCOWUSZSUUEF-ZSDNKIRRSA-N 381.428 2.309 10 1 GECF CN(C)/N=N\c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 13152199 DOMVEXKTZKRJQW-OSCRUYLVSA-N 376.438 2.221 10 1 GECF CC(C)[C@@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1=O 2356851366 QGYKATBWAIDMKB-NRFANRHFSA-N 380.352 2.029 10 1 GECF COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)c(CO)cc1O 85626275 AKHWALZUEMWQOQ-MRXNPFEDSA-N 390.432 2.190 10 1 GECF biogenic,in-vitro O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)c2c(O)c(CO)cc(O)c21 963330316 WXCHCQQQXYGBFP-HSZRJFAPSA-N 389.407 2.278 10 1 GECF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@@H]1C 95662491 GNDRVPIQJFGRPQ-KSSFIOAISA-N 376.501 2.272 10 1 GECF NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1 105417270 LPMYKPCLEYMBGJ-UHFFFAOYSA-N 385.283 2.134 10 1 GECF C[C@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 29233525 LNCLEGULBFWCRV-PMACEKPBSA-N 390.388 2.476 10 1 GECF O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccnc2)cc1)c1cccnc1 1911579831 RANMUDIBKAGHHC-UHFFFAOYSA-N 390.446 2.078 10 1 GECF COc1cc(OC(C)=O)c2c(c1O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O 84759520 ILZLWCFVHZUCLY-UHFFFAOYSA-N 384.340 2.335 10 1 GECF Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccc(Cl)cc1 72178214 ONIOPGSVAOMVAU-WUKNDPDISA-N 384.830 2.176 10 1 GECF C[C@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C[C@@H](O)[C@H]1O 35457197 QCQOZKQMMJTMPI-WXOQTLCDSA-N 384.384 2.443 10 1 GECF O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@H]3CCCNC3)c1c2O 299820573 HQEVAXRMPFOGRZ-LBPRGKRZSA-N 391.427 2.196 10 1 GECF COc1cc([C@@H](O)[C@H]2CNCCc3cc(O)c(O)cc32)cc(OC)c1OC 40766720 QOXCHICYLMYKFV-IFXJQAMLSA-N 375.421 2.087 10 1 GECF Cn1c(/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc(=O)n(C)c1=O 103966573 RFYKOXWORUKCDX-ISLYRVAYSA-N 378.186 2.449 10 1 GECF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(=O)O)[C@@]14C[C@H]2O[C@@]31N(C)c1cc(OC)c(OC)cc14 103567277 YARGAIDQWIPKBF-CKZORHGLSA-N 398.459 2.199 10 1 GECF biogenic,in-vitro CC(C)(C)c1ccc(O)c([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963218449 IERMADMSSKTVOY-BXWFABGCSA-N 394.475 2.260 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 586948919 VJPMGYNZLGKVBK-UHFFFAOYSA-N 393.337 2.123 10 1 GECF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2O)CC[C@]1(C)O 2356398698 ZZOZGSBZZJUFKT-BDTNDASRSA-N 384.476 2.221 10 1 GECF COc1c(O)c([C@@H]2CCC(=O)N2)c(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 1911585441 NNFCXXSCWRAKDD-AAEUAGOBSA-N 385.372 2.470 10 1 GECF COc1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)cc(O)c1O 218786685 DXIRISFYPXAKKZ-UHFFFAOYSA-N 384.432 2.132 10 1 GECF COc1ccc(N2CCC[C@@H](Oc3nc(-c4ccncn4)cc(=O)n3C)C2)cc1 146506484 FQCORSGMJJWLST-QGZVFWFLSA-N 393.447 2.294 10 1 GECF CC[C@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 238744665 XZJYKUUICHREKF-CQPIRRRNSA-N 388.464 2.306 10 1 GECF NC(=S)NC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 1857634188 GGUNATHUSVKAIZ-UHFFFAOYSA-N 382.470 2.068 10 1 GECF CCN1C(=O)[C@H]2[C@H](N=C(N=[N+]=[N-])N2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 40943174 DCDYUOIGFONWJC-QKPAOTATSA-N 394.439 2.024 10 1 GECF NCCCn1c2c(c3ccc(NCC(=O)O)cc3c1=O)C(=O)c1ccccc1-2 95584965 ZKDKMZHAOXZKID-UHFFFAOYSA-N 377.400 2.058 10 1 GECF COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(OC)c(O)c1 210026346 TUYFFOLCPXHZKL-GNJLHFKMSA-N 388.372 2.153 10 1 GECF O=C(O)/C=C/C=C/c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 238774886 FBOUTZRGPQLFJG-ZPUQHVIOSA-N 396.307 2.202 10 1 GECF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C 2356435893 ROMKGHRUHZIGOA-SDNAPURUSA-N 392.448 2.234 10 1 GECF O=C1c2c(cc(O)c([C@@H]3CCCCN3)c2O)O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O 1772641102 VAJOHHMIRONBOV-KAKXMVNSSA-N 387.388 2.001 10 1 GECF CC=C1C[C@@H]2[C@H](C(=O)OC)[C@]34C[C@H]5O[C@@]3([C@H]2N5C1)N(C)c1ccc(OC)cc14 2356607205 FGCMZAMGOPMONJ-IKTIZJKBSA-N 382.460 2.279 10 1 GECF COc1cc(C2=NN(C(N)=O)[C@@H](c3ccccc3O)C2)ccc1OCC(=O)O 28713555 WSPJPBDYMHAIJH-CQSZACIVSA-N 385.376 2.094 10 1 GECF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C 95909473 ROMKGHRUHZIGOA-JQQXJZFASA-N 392.448 2.234 10 1 GECF biogenic,in-vitro C[C@@H]1O[C@H](c2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C[C@@H](O)[C@@H]1O 31161118 QCQOZKQMMJTMPI-UPESVBDASA-N 384.384 2.443 10 1 GECF biogenic COc1cc2c(cc1OC)C(=O)C(=O)c1cc3c(cc1CCN(C)C2)OCO3 2356784419 OOFOUNLCOKKTLO-UHFFFAOYSA-N 383.400 2.486 10 1 GECF O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(N2CCOCC2)cc1 96172355 GTIRAGOOFZRGKG-NRFANRHFSA-N 376.416 2.447 10 1 GECF COC(=O)c1cc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2cc1OC 586947765 DXYHVAYJWLTFNB-UHFFFAOYSA-N 391.405 2.102 10 1 GECF CN1C(=O)C[C@H]2CN[C@@]3(CC=Cc4cc(O)c(O)c(O)c4C3=O)c3cccc1c32 963022409 IWKAHFVGNIDTTL-YTEVENLXSA-N 392.411 2.352 10 1 GECF Cn1c(C[S@](=O)c2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 64549446 MSYUVXKTMDHSED-HHHXNRCGSA-N 385.489 2.419 10 1 GECF COc1cc2c(cc1O)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 299854003 SRRZRXQIRJBKKV-UHFFFAOYSA-N 395.371 2.184 10 1 GECF CCc1ccc(N2C(=O)[C@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 1772653824 BMWMIFFFCMWDDW-ROUUACIJSA-N 388.423 2.118 10 1 GECF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(=O)[C@H]2C/C=C1/SC(=S)NC1=O 299861256 IADZSRBCLHNHPZ-IYGHQMSMSA-N 383.535 2.163 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccnc(Br)c3[nH]2)c1 586948440 GMOOCRPVFNDGAQ-UHFFFAOYSA-N 383.227 2.465 10 1 GECF O=C(CN1CCN(c2ccc(F)cc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 13585741 HSKPBFKHHURFJP-UHFFFAOYSA-N 375.356 2.150 10 1 GECF Oc1ccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 169691538 VCIDKKLEQSQMTO-BSYVCWPDSA-N 384.440 2.139 10 1 GECF COc1cc2c(cc1OC)C(=O)C(=O)c1ccc3c(c1CN(C)CC2)OCO3 13411454 UFCVPEFVGGMGSE-UHFFFAOYSA-N 383.400 2.486 10 1 GECF endogenous,in-man C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@H](C)/N=N\C(N)=O)cc1)/N=N\C(N)=O 5810466 CGQMNQSWTBDETI-UKFUUDPRSA-N 390.404 2.183 10 1 GECF Cn1c(CS(=O)(=O)c2ccccc2)nc2c(Cn3ccnc3)c(O)ccc21 64560512 GWUHRBOLSPIQGW-UHFFFAOYSA-N 382.445 2.498 10 1 GECF COC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 13481235 YDIALMISEDEIIV-UHFFFAOYSA-N 382.324 2.099 10 1 GECF biogenic CC(=O)Oc1cc2c(c(OC(C)=O)c1OC(C)=O)C(=O)c1ccccc1C2=O 14775050 WWMYMSYTTMHHFM-UHFFFAOYSA-N 382.324 2.238 10 1 GECF biogenic COc1ccc(C=CC(=O)OCC(=O)[C@@H](OC)c2ccc(O)c(O)c2)cc1O 2356635583 CHXPHFPEBKXQNH-FQEVSTJZSA-N 388.372 2.325 10 1 GECF COC(=O)c1cc2c(OC)cc(OC)c(/C=C3\SC(=S)NC3=O)c2[nH]1 1772644678 ZQCYKEISHQEBHY-XGICHPGQSA-N 378.431 2.461 10 1 GECF NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(Br)csc4c32)S1 40403726 MUNASHRNFSWBGX-WTKPLQERSA-N 397.279 2.425 10 1 GECF COc1cc2c(c(O)c1O)C(=O)[C@@H](OC)[C@@H](c1cc(O)c(OC)c(OC)c1)O2 2356330649 UILSQFXJBUZWGA-IEBWSBKVSA-N 392.360 2.161 10 1 GECF COc1cc(-c2coc3c(O)c(O)c(OC)c(O)c3c2=O)cc(O)c1OC 2356364402 SJVJFHZEXPNZOP-UHFFFAOYSA-N 376.317 2.308 10 1 GECF C[C@@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C[C@@H](O)[C@H]1O 35457201 QCQOZKQMMJTMPI-CHBGFAKASA-N 384.384 2.443 10 1 GECF CN(C)c1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2-c2cccc(F)c2)cc1 72172124 KMDQMLMNPLMAGP-UHFFFAOYSA-N 393.422 2.295 10 1 GECF Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O 103757475 DDKBPKKWCKFACV-BOPFTXTBSA-N 378.363 2.075 10 3 GECF O=C(NCCCC[C@H]1CN=C(c2c(O)cccc2F)N1)c1cccc(O)c1O 1857617267 OFPQNHVYLGLTAY-LBPRGKRZSA-N 387.411 2.261 10 1 GECF CCOc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc(Cl)c1OCC 29135639 GRDZVCWWMQAQNS-WDZFZDKYSA-N 376.804 2.457 10 1 GECF CC=C1CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)O 2356594652 YARGAIDQWIPKBF-CMMPBFFNSA-N 398.459 2.199 10 1 GECF C[C@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O 26259036 GESCOWUSZSUUEF-YMPHWICMSA-N 381.428 2.309 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 586948610 PLVRZBFSJGAOAS-UHFFFAOYSA-N 375.406 2.468 10 1 GECF CC=C1C[C@@H]2[C@H](C(=O)OC)[C@]34C[C@H]5O[C@@]3([C@@H]2N5C1)N(C)c1ccc(OC)cc14 2356607287 FGCMZAMGOPMONJ-YIDDOMNCSA-N 382.460 2.279 10 1 GECF CCOP(=O)(OCC)C1=NN(CC)C2(C1=O)C(=O)c1ccccc1C2=O 40408355 ACZMYZFZLBMZHR-UHFFFAOYSA-N 378.321 2.289 10 1 GECF Cc1cc(-n2c(O)c[nH]c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 169719771 HYJXGLGQVHGUAQ-UHFFFAOYSA-N 382.328 2.070 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)ncc3[nH]2)c1 586948181 FSCQSLGIWPJUPE-UHFFFAOYSA-N 383.227 2.465 10 1 GECF Nc1ccc(CNC(=O)C[C@@H]2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 35271593 VARXOJXJKFRUFG-SFHVURJKSA-N 391.479 2.310 10 1 GECF O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CNC3CCNCC3)c1c2O 299827024 NCBJSOFQDYAMGV-UHFFFAOYSA-N 391.427 2.196 10 1 GECF Cn1c(O)c(C2=NNC(=O)C2=Cc2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 2356855670 PXZLRDJVUKMIPV-UHFFFAOYSA-N 390.355 2.070 10 1 GECF COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(O)c1O 587786408 TZFNEPXZIXACMT-QPJJXVBHSA-N 389.433 2.403 10 1 GECF Cc1nc2c(C(=O)N3CCOCC3)cnn2c(O)c1Cc1ccc(Cl)cc1 9597715 YDHNOGAJWQKKRW-UHFFFAOYSA-N 386.839 2.460 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2 299821794 GQCIUKYLYQCJPL-COJDAZNPSA-N 384.388 2.179 10 1 GECF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCC[C@@H](O)C3)sc21 299825196 DEPLFMURKSPINA-SECBINFHSA-N 396.424 2.444 10 1 GECF COc1ccc(C=C2C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 2356343493 PVBZILYSJWAIGJ-UHFFFAOYSA-N 375.384 2.170 10 1 GECF COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCNCC2)c1 40564570 UOJONFYUQMGMFA-UHFFFAOYSA-N 393.447 2.002 10 1 GECF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(N(C)C)cc2)C3=O)n1 653749393 WXSGDTWSWGBRRK-UHFFFAOYSA-N 392.419 2.193 10 1 GECF COC(=O)CCc1cc(O)c2c(c1)[C@H](C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2 1645375 OSQXDMXNVSJFCV-ROUUACIJSA-N 388.372 2.299 10 1 GECF C[C@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 2356312648 AWTAMBVBMLRCCL-DENIHFKCSA-N 397.427 2.260 10 1 GECF Cn1c(C[S@@](=O)c2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 64549445 MSYUVXKTMDHSED-MHZLTWQESA-N 385.489 2.419 10 1 GECF CC(=N)C1=C(O)[C@@H]2[C@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 2356326048 SREDNEAAWGFTAO-CXMBCZLWSA-N 393.443 2.355 10 1 GECF CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@H](Sc3ccccc3)[C@H]2O)cc1 2356862576 VCGZLJXPYLLWRN-ADAARDCZSA-N 386.517 2.488 10 1 GECF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C 95665114 FXVQNSHCZWCEJT-BEFAXECRSA-N 390.528 2.200 10 1 GECF Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cn1 95596313 DDHUONMGKXGFBS-UHFFFAOYSA-N 375.436 2.047 10 1 GECF CC(=O)OC[C@]1(O)[C@H](C)OC[C@@H]2[C@H]3Cc4c(n(C)c5ccccc45)[C@@H](C[C@H]21)N3C 2356371628 NCFQVHAJAFNGJL-INUOGRKQSA-N 398.503 2.425 10 1 GECF COc1ccc(N2CCN(Cc3cnc4cc(OC)nc(OC)n34)CC2)cc1 43059378 RQBGDCUYQVYVKF-UHFFFAOYSA-N 383.452 2.077 10 1 GECF COC(=O)c1c(C)cc(OC(=O)c2c(C)c(O)c(O)c(C=O)c2O)c(C)c1O 238753453 NFOBYNJKJAPJDQ-UHFFFAOYSA-N 390.344 2.253 10 1 GECF C[C@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)N=NC(N)=O)cc1)N=NC(N)=O 263594281 CGQMNQSWTBDETI-NXEZZACHSA-N 390.404 2.183 10 1 GECF COc1cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC 12501589 PEGMMEYCSOZKIT-UHFFFAOYSA-N 384.440 2.160 10 1 GECF in-vivo CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O 166590647 OHWPXNCKGWEEQM-IBNJYYFUSA-N 388.416 2.184 10 1 GECF CCOC(=O)[C@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(O)c(O)c1 2356713646 OCKABMGRENACSE-ROUUACIJSA-N 386.356 2.302 10 1 GECF CC(C)CNC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Br)cc2c1 1857552685 IGGPKISLVBCIIG-UHFFFAOYSA-N 382.210 2.465 10 1 GECF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 96285185 CGQHLWDWBCMNQL-UHFFFAOYSA-N 393.406 2.371 10 1 GECF COc1cc2c(cc1O)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O 299854264 WXPNHMDRFOTTDU-UHFFFAOYSA-N 395.371 2.184 10 1 GECF CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](Sc3ccccc3)[C@H]2O)cc1 2356862577 VCGZLJXPYLLWRN-MJCUULBUSA-N 386.517 2.488 10 1 GECF COP(=O)(CCOC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O)OC 1857746227 XHISVNRSDKNPQC-UHFFFAOYSA-N 393.288 2.401 10 1 GECF COC(=O)[C@@H](Cc1ccc(O)c(OC)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 217011123 CPORMIMGIWXPRH-KRZKXXONSA-N 388.372 2.153 10 1 GECF COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1cc(O)c(O)c(O)c1 1857603620 XPQSKXFEXSSBBY-ZDUSSCGKSA-N 395.408 2.147 10 1 GECF COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC 13383389 CWIZKMYGNOEFKO-GESALYCCSA-N 388.372 2.090 10 1 GECF endogenous,in-man COc1ccc2c(c1OC)C(=O)c1ccc(C=C(C)CC(N)=O)c(O)c1C2=O 2356567202 MFRLYJDZURPKEB-UHFFFAOYSA-N 381.384 2.464 10 1 GECF COC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1OC 586947821 GQBNZXOHVNKPNT-UHFFFAOYSA-N 391.405 2.102 10 1 GECF C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356312650 AWTAMBVBMLRCCL-UGKGYDQZSA-N 397.427 2.260 10 1 GECF Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2n2ccnc2)cc1 102956317 YBRWLBVYGATHBO-ROUUACIJSA-N 395.440 2.159 10 1 GECF CCN1C(=O)[C@H]2[C@@H](N=C(N=[N+]=[N-])N2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 40943170 DCDYUOIGFONWJC-QXSJWSMHSA-N 394.439 2.024 10 1 GECF COc1ccc(N2CCC[C@H](Oc3nc(-c4ccncn4)cc(=O)n3C)C2)cc1 146506288 FQCORSGMJJWLST-KRWDZBQOSA-N 393.447 2.294 10 1 GECF CCOC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2 209544434 NXNNODJCOFSBPJ-UHFFFAOYSA-N 399.446 2.479 10 1 GECF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@H]3C=CC(=O)OC[C@H]3CN12 2356444786 IWLOQDNPIAIHNV-QZCPTFHJSA-N 380.444 2.368 10 1 GECF CCCc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O 14819796 OCMQISFCUXIOBA-UHFFFAOYSA-N 378.358 2.007 10 1 GECF biogenic COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1 1857535662 ZTHJRQNUFUEXQS-ZDUSSCGKSA-N 377.418 2.008 10 1 GECF COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC 14920191 CWIZKMYGNOEFKO-HQOQDVMHSA-N 388.372 2.090 10 1 GECF endogenous,in-man COc1cc([C@@H](O)[C@@H]2CNCCc3cc(O)c(O)cc32)cc(OC)c1OC 40766714 QOXCHICYLMYKFV-AUUYWEPGSA-N 375.421 2.087 10 1 GECF CN1CCc2cc(SC[C@@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 72109060 QCEAYDMNZTWNGV-HUUCEWRRSA-N 386.473 2.354 10 1 GECF CN(C)C1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1 15925034 NFXFEEJGBISLTD-ZROIWOOFSA-N 377.447 2.126 10 3 GECF CC(=N)C1=C(O)[C@@H]2[C@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 2356326050 SREDNEAAWGFTAO-JGFGOQIWSA-N 393.443 2.355 10 1 GECF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@@H]12 1857645367 UEIIHUQZKBIAAX-MRXNPFEDSA-N 379.416 2.273 10 1 GECF CN1CCc2cc(SC[C@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 72105437 QCEAYDMNZTWNGV-LSDHHAIUSA-N 386.473 2.354 10 1 GECF COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCOCC2)c1 40563926 BYKDVKNVSQMTFT-UHFFFAOYSA-N 394.431 2.429 10 1 GECF O=C(O)[C@H]1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1 2356784216 NQXPVCMHNAAPCA-NXEZZACHSA-N 399.355 2.160 10 1 GECF CCNC(=O)Nc1cn(-c2ncccn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 653762974 PRJJVGQRVGJLKR-UHFFFAOYSA-N 389.419 2.323 10 1 GECF CC(=O)NC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 2356392851 RCEWLGWTZHROAQ-PMACEKPBSA-N 384.388 2.179 10 1 GECF Cn1c(O)c(C2=NNC(=O)C2=Cc2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 2356816872 CTRYDYLKNOBKAL-UHFFFAOYSA-N 390.355 2.070 10 1 GECF Oc1ccccc1CN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356589502 HTHRBBWPWLQBDB-NRFANRHFSA-N 379.504 2.163 10 1 GECF CC[C@]1(O)C[C@H](O)c2cc3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356446860 HMMCFZFVWXRXDH-ZJBJCVSYSA-N 396.395 2.002 10 1 GECF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@H]1C 95661005 GNDRVPIQJFGRPQ-KDOFPFPSSA-N 376.501 2.272 10 1 GECF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(N(CCO)CCO)cc1 963052800 HBHWGBYITOOOFX-QFIPXVFZSA-N 393.487 2.270 10 1 GECF O=C1c2ccccc2C(=O)c2c1nc(C(F)(F)F)n2CCN1CCOCC1 1857637024 MCSHOCHEJLUZQM-UHFFFAOYSA-N 379.338 2.010 10 1 GECF COc1cc(OC)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(OC)c1 115731354 OJXFWHIOTYOGPI-JYRVWZFOSA-N 383.447 2.388 10 1 GECF CCN(CC)Cc1c(O)c([C@H]2CCN(C)C[C@H]2O)c2oc(C)cc(=O)c2c1O 1772646593 FJPMGXOULIGURW-XJKSGUPXSA-N 390.480 2.134 10 1 GECF CC(=O)NC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 2356392854 RCEWLGWTZHROAQ-WOJBJXKFSA-N 384.388 2.179 10 1 GECF O=c1cc(-c2ccc(OCCN3CCOCC3)cc2)oc2cc(O)c(O)c(O)c12 473155088 PANBLRFOYVHJJW-UHFFFAOYSA-N 399.399 2.288 10 1 GECF COC(=O)CC1CCN(C(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1 1857535119 IFHPUJDXFJTBAL-UHFFFAOYSA-N 381.384 2.470 10 1 GECF COc1ccc(N2CN=c3s/c(=C/c4ccccc4Cl)c(=O)n3C2)cc1 1857544451 NDETYSMVHRUDDM-LICLKQGHSA-N 385.876 2.455 10 1 GECF O=[N+]([O-])c1ccc(O/N=[N+](/[O-])N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 40565945 HKATUYHNNHFNJU-OQKWZONESA-N 388.340 2.497 10 1 GECF O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(C(=O)O)cc3c2OCO3)o1 40428784 HQSFMLOPBZPPJJ-UHFFFAOYSA-N 386.341 2.128 10 1 GECF O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Br)c(O)c1C2=O 49071877 BTJNJHWIXRDCGJ-UHFFFAOYSA-N 379.118 2.040 10 1 GECF biogenic CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@H]12 1857645366 UEIIHUQZKBIAAX-INIZCTEOSA-N 379.416 2.273 10 1 GECF O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)cc(O)c1O 72113755 MSLNWVWGUHPZHO-UHFFFAOYSA-N 396.490 2.264 10 1 GECF COC(=O)[C@@H](Cc1ccc(O)c(OC)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356404092 CPORMIMGIWXPRH-GOSISDBHSA-N 388.372 2.153 10 1 GECF O=C(O)[C@@H]1CC[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1 2356784217 NQXPVCMHNAAPCA-UWVGGRQHSA-N 399.355 2.160 10 1 GECF Cc1c(F)ccc2c1[C@]1(C=C(Br)c3nonc3C1=[N+]=[N-])NCC2 962141092 BATFFYHSQIRVDZ-HNNXBMFYSA-N 376.189 2.327 10 1 GECF CCOC(=O)c1cc(OC)c(O)c(O)c1Oc1c(O)cc(C(=O)O)cc1O 14641653 WOSPOYQELBCKSX-UHFFFAOYSA-N 380.305 2.185 10 1 GECF biogenic O=C1c2ccccc2C(=O)c2c1nc(-c1cccnc1)n2CCN1CCOCC1 1857753065 XJLSQSDBVCUUSO-UHFFFAOYSA-N 388.427 2.053 10 1 GECF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 169687196 DNJYZURMSVLAGV-CWFSZBLJSA-N 394.471 2.393 10 1 GECF CC(=O)OCCc1cc(O)c(O)c(-c2cc(CCOC(C)=O)cc(O)c2O)c1 1857752377 WVALXWMUIAHHRP-UHFFFAOYSA-N 390.388 2.387 10 1 GECF CCOC(=O)c1noc2nc(C)nc(N3CCN(c4ccc(OC)cc4)CC3)c12 15735202 LNWVVIUHHSXFHZ-UHFFFAOYSA-N 397.435 2.438 10 1 GECF O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 34229734 HKATUYHNNHFNJU-XLNRJJMWSA-N 388.340 2.497 10 1 GECF CC[C@]1(O)C[C@@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356446857 HMMCFZFVWXRXDH-CDMIOBSGSA-N 396.395 2.002 10 1 GECF COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O 35079970 ADPVBVVWMQETHS-UHFFFAOYSA-N 379.372 2.479 10 1 GECF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)cc1OC 95588755 UAIYDFKJKTYKQE-KRZKXXONSA-N 388.372 2.367 10 1 GECF CCOC(=O)Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586949059 YHIBMQSCCPHVLM-UHFFFAOYSA-N 389.433 2.413 10 1 GECF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(O)c1O 2356382711 LETYTGSICBFRCZ-IFXJQAMLSA-N 376.405 2.250 10 1 GECF CN1C[C@H](CNC(=O)[C@@H]2CCCCN2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297420 PQQQAIXHXMTHMT-DZJZLKLXSA-N 380.536 2.397 10 1 GECF CC(=O)OCc1cc(OC(C)=O)c2c(c1OC(C)=O)C(=O)c1ccccc1C2=O 13327812 SUFLHBLSUJBLNX-UHFFFAOYSA-N 396.351 2.376 10 1 GECF biogenic CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/[C@@H]2CCc3ccccc32)c1O 36143806 KBXYSOITIKCKIT-OBMZUTLOSA-N 391.427 2.201 10 1 GECF C[C@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356312649 AWTAMBVBMLRCCL-SIKLNZKXSA-N 397.427 2.260 10 1 GECF COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC 13383388 CWIZKMYGNOEFKO-QQGDVQBRSA-N 388.372 2.090 10 1 GECF endogenous,in-man CC(C)(C)c1cc(I)c(O)c(CNS(=O)(=O)O)c1 27844738 UYERVGAPTXZFLJ-UHFFFAOYSA-N 385.223 2.187 10 1 GECF CC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 13139991 NTAYQQFNWIOEMY-KCXPTXFHSA-N 394.427 2.071 10 1 GECF COc1cc2c(c(O)c1O)C(=O)[C@H](OC)[C@H](c1cc(O)c(OC)c(OC)c1)O2 2356330648 UILSQFXJBUZWGA-HKUYNNGSSA-N 392.360 2.161 10 1 GECF Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2ccnc2)cc1 6244568 YBRWLBVYGATHBO-ZWKOTPCHSA-N 395.440 2.159 10 1 GECF C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@H]1O 58587381 GESCOWUSZSUUEF-GSWBMHOLSA-N 381.428 2.309 10 1 GECF CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@H]12 2356590357 LJEAEZKLTWRSSS-VGSWGCGISA-N 382.460 2.387 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cncc(Br)c3[nH]2)c1 586948576 JIPLVQYJCIZYEM-UHFFFAOYSA-N 383.227 2.465 10 1 GECF COC(=O)[C@H](Cc1ccc(O)c(OC)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356404093 CPORMIMGIWXPRH-SFHVURJKSA-N 388.372 2.153 10 1 GECF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 169687195 DNJYZURMSVLAGV-UIAACRFSSA-N 394.471 2.393 10 1 GECF COc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(O)c1O 587785615 OEYUISMSLAHWLW-FPLPWBNLSA-N 389.433 2.403 10 1 GECF CN1C[C@H](CNC(=O)[C@H]2CCCCN2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297422 PQQQAIXHXMTHMT-BQBKMSKFSA-N 380.536 2.397 10 1 GECF CC(=O)OC[C@]1(O)[C@H](C)OC[C@@H]2[C@@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356371629 NCFQVHAJAFNGJL-YVZCVNSTSA-N 398.503 2.425 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2 299821799 GQCIUKYLYQCJPL-ILWWCXPUSA-N 384.388 2.179 10 1 GECF CC(=N)C1=C(O)[C@@H]2[C@@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 2356326054 SREDNEAAWGFTAO-PJQXDXOGSA-N 393.443 2.355 10 1 GECF CCN1C(N(C)C)=Nc2cc(N)ccc2[C@@H]1CC(=O)NCc1ccc(N)cc1 45367927 CJXVSJOYOPIRCV-IBGZPJMESA-N 380.496 2.483 10 1 GECF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)cc1 473112280 CHSQEHQUZVNYQI-OAHLLOKOSA-N 385.367 2.199 10 1 GECF C/C(=C\Cc1c(O)cc2c(c1O)CN(CCO)C2=O)CC/C=C(\C)C(=O)O 299870418 WFUALHCWGPSZPU-YKNDAMCPSA-N 375.421 2.346 10 1 GECF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCC1)c1ccccn21 473137213 WTBXKZRPBRSGND-UHFFFAOYSA-N 389.411 2.362 10 1 GECF C[C@@]12C(=O)c3cccc(O)c3C(=O)[C@@H]1C[C@]13O[C@@]12C(=O)c1c(O)cccc1C3=O 222395701 YTRIGSXSIOSWHA-LWRIQDNHSA-N 390.347 2.090 10 1 GECF CNC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 144848771 ABPCHYCHOQKJJE-UHFFFAOYSA-N 392.459 2.499 10 1 GECF COc1ccc(N2CCN(c3cc(=O)n(-c4ccc(C)cc4)c(=O)[nH]3)CC2)cc1 4033696 UGIHYCYUAGWDAX-UHFFFAOYSA-N 392.459 2.169 10 1 GECF COc1ccc2c(c1)c(CC(=O)N1CCCC1)c(C)n2CCN1CCOCC1 1857550491 VWJRJTVXIPYJGX-UHFFFAOYSA-N 385.508 2.455 10 1 GECF COc1ccc(NC=C2C(=O)NN=C2c2c(O)n(C)c3ccccc3c2=O)cc1 2356823443 GMTNVCBUVRQEBX-UHFFFAOYSA-N 390.399 2.083 10 1 GECF CC[C@]1(O)C[C@@H](O)c2cc3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356446859 HMMCFZFVWXRXDH-NRJQMVOHSA-N 396.395 2.002 10 1 GECF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCO[N+](=O)[O-])cc(O)c12 96273327 SJIYXABFNNPEOV-UHFFFAOYSA-N 375.289 2.164 10 1 GECF C[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@](C)(Cc1ccc(O)c(O)c1)C(=O)O 29233532 LNCLEGULBFWCRV-WOJBJXKFSA-N 390.388 2.476 10 1 GECF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)cc1 473112279 CHSQEHQUZVNYQI-HNNXBMFYSA-N 385.367 2.199 10 1 GECF CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 95899463 GPFYAHQBAZFVLI-FTJYFCJYSA-N 396.487 2.454 10 1 GECF CN(C)CCNc1ccc(N(C)CCN(C)C)c2c1C(=O)c1ccccc1C2=O 26396777 RJAXTXYTTBGELR-UHFFFAOYSA-N 394.519 2.433 10 1 GECF CC=C1CN2CCc3c(n(CO)c4ccccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356634911 QFKQSWMJUPHGJZ-HBFSDRIKSA-N 384.476 2.238 10 1 GECF COc1ccc(OC)c(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)c1 40894033 CSISQKPORXSGCO-UHFFFAOYSA-N 381.395 2.094 10 1 GECF COCCn1c(/N=N/C(C)=C/Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 169689665 JKQMKLVAMQQFGT-QQZHPOJYSA-N 382.424 2.300 10 1 GECF CCN(CC)CCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13 27634192 RNPBMVDBRILKJN-UHFFFAOYSA-N 378.480 2.355 10 1 GECF CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1 95911416 ROJRNQOAUDCMES-GNJLHFKMSA-N 388.372 2.240 10 1 GECF biogenic,in-vitro COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2CCO)cc(OC)c1OC 28097770 HHHBMRDMTJXHRY-MRXNPFEDSA-N 389.448 2.258 10 1 GECF COc1cc(-c2oc3c(OC)c(OC)c(O)c(O)c3c(=O)c2O)ccc1O 40424377 CTKFEOUGUQQUND-UHFFFAOYSA-N 376.317 2.308 10 1 GECF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCOCC3)c(O)c(O)c(O)c12 95562393 TUVJEEHEJSLCQE-UHFFFAOYSA-N 385.372 2.115 10 1 GECF O=C(O)[C@H]1CCCN1C(=O)CC(=S)[C@@H](O)c1ccc(Br)cc1 169713613 BUJVMTRYEHBFRL-RISCZKNCSA-N 386.267 2.318 10 1 GECF O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(N2CCOCC2)cc1 100625830 GTIRAGOOFZRGKG-OAQYLSRUSA-N 376.416 2.447 10 1 GECF NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@H](C(N)=O)C3)ccc1O 27655334 AVNNLNRKGODILF-LBPRGKRZSA-N 381.215 2.178 10 1 GECF CC(=O)[C@H](CC(=O)O)[C@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@H]1CO)N2C 2356450906 MWFHBQDCJDLLJP-SSGANFLRSA-N 384.476 2.384 10 1 GECF O=C(NCCCCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 26165599 DIPNJXDQAOFMHP-UHFFFAOYSA-N 388.420 2.229 10 1 GECF Cc1cc(=O)oc2cc(NC(=O)CN3CCN(c4ccc(N)cc4)CC3)ccc12 1772632397 AGPDQOMIXYRMOY-UHFFFAOYSA-N 392.459 2.444 10 1 GECF CC(C)CN(C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O 13727863 ICZBWKGJZRHLFV-UHFFFAOYSA-N 382.507 2.420 10 1 GECF CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O 5386086 VYVJXUYUIRSTAJ-UHFFFAOYSA-N 380.492 2.409 10 1 GECF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CCO)c(=O)c2)nc1 222632216 ZBBHOMSTAUWWJY-MSOLQXFVSA-N 392.459 2.492 10 1 GECF COc1ccc(N2CCN(C[C@@H]3CN=C4c5ccccc5NC(=O)N43)CC2)cc1 13832337 CSXULHKXIDZHEC-KRWDZBQOSA-N 391.475 2.494 10 1 GECF CC(C)NS(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 13649998 VVFLOVJRPIUQHV-VZUCSPMQSA-N 390.461 2.461 10 1 GECF C/C=C1/C[C@H]2[C@@H]3N(C1)[C@@H]1C[C@]4(c5cc(OC)ccc5N(C)[C@]34O1)[C@@H]2C(=O)OC 238776038 FGCMZAMGOPMONJ-CPCMXBOMSA-N 382.460 2.279 10 1 GECF CCOC(=O)N1CCC(N(Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(C)C)CC1 40917986 OBROMHFXLAKRQT-UHFFFAOYSA-N 394.428 2.405 10 1 GECF COC(=O)O[C@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O 59729344 MQAHKRVNVQQRHE-QGZVFWFLSA-N 388.284 2.456 10 1 GECF CS(=O)(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 84689828 ZOMHGWFJAWGSCL-UHFFFAOYSA-N 382.441 2.152 10 1 GECF COc1ccc(-c2oc3c(OC)c(OC)c(O)c(O)c3c(=O)c2OC)cc1N 66251162 LBLZVWVKDFMTMA-UHFFFAOYSA-N 389.360 2.488 10 1 GECF CC(C)(C)NS(=O)(=O)c1cc(O)c(O)c(C(=O)NCc2ccc(F)cc2)c1 72111980 UTBMDOJPVGNCOQ-UHFFFAOYSA-N 396.440 2.244 10 1 GECF CCS(=O)(=O)NCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586944595 WHPWLRODAVGADK-UHFFFAOYSA-N 397.456 2.210 10 1 GECF COc1c(O)c([C@@H]2CCC(=O)N2)c(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 1911584790 NNFCXXSCWRAKDD-WCQYABFASA-N 385.372 2.470 10 1 GECF COc1c(O)cc2c(c1O)C(=O)c1c(cn(-c3ccccc3C(N)=O)c1C)C2=O 2356383657 STNSNJGXPASRKT-UHFFFAOYSA-N 392.367 2.080 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)ccnc3[nH]2)c1 586949722 YNXOAVBAOQENLC-UHFFFAOYSA-N 383.227 2.465 10 1 GECF [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335142 KSNOINXULVHITF-KNBMTAEXSA-N 399.378 2.122 10 1 GECF COc1ccc(OC)c2c1c(/C=C1\C(=O)NN=C1c1snnc1C)cn2C 28954989 FFERGHVGBWVHKE-XFFZJAGNSA-N 383.433 2.273 10 1 GECF Cc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C(=O)c1cc(O)cc(O)c1C2=O 199842657 KVQIZFQVDNJTQH-UHFFFAOYSA-N 380.308 2.213 10 1 GECF COc1c(O)c([C@H]2CCC(=O)N2)c(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 1911575889 NNFCXXSCWRAKDD-YPMHNXCESA-N 385.372 2.470 10 1 GECF CC=C1CN2CCc3c(n(CO)c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356634906 QFKQSWMJUPHGJZ-BJLQDIEVSA-N 384.476 2.238 10 1 GECF CCOC(=O)[C@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@H]1c1ccc(O)c(O)c1 2356713644 OCKABMGRENACSE-MSOLQXFVSA-N 386.356 2.302 10 1 GECF O=C1c2c(O)ccc(Cl)c2C(=O)c2c(NCCNCCO)ccc(Cl)c21 29406264 HHGKJVPAPOFNQB-UHFFFAOYSA-N 395.242 2.468 10 1 GECF Cc1c(O)ccc2c1[C@](C)(c1c(O)ccc3ccc(=O)oc13)N[C@H](C(=O)O)C2 963511071 STMQDXFAACDQCM-YEJXKQKISA-N 381.384 2.375 10 1 GECF COC(=O)/C=C/c1cc(O)c2c(c1)[C@H](C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2 13557626 HDONJQIYHGHIJV-ORYMXUJHSA-N 386.356 2.380 10 1 GECF in-vivo O=C(O)CCC(=O)NCc1cc(O)c(O)c(Br)c1Br 238788111 PTGKKNBPUYVQTE-UHFFFAOYSA-N 397.019 2.104 10 1 GECF COc1ccc([C@]2(CCC(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c(O)c1 962927952 FYLIXLZCXLJUNI-QFIPXVFZSA-N 398.459 2.357 10 1 GECF COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O 95595778 GQXZIEPLEHLFHB-UHFFFAOYSA-N 379.372 2.479 10 1 GECF CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 598899 ZRGAQZSTZSDJOZ-UHFFFAOYSA-N 378.480 2.178 10 1 GECF N=C(N)NCCNc1c2c(c(N)c3ccsc13)C(=O)c1ccccc1C2=O 299829138 ZEHQLCSPFJHMJT-UHFFFAOYSA-N 379.445 2.154 10 1 GECF Cc1cccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c12 653718382 YTDSMTNGKCEWRS-WQLSENKSSA-N 399.457 2.262 10 1 GECF O=C(O)[C@@H]1CCCN1C(=O)CC(=S)[C@H](O)c1ccc(Br)cc1 169713614 BUJVMTRYEHBFRL-SMDDNHRTSA-N 386.267 2.318 10 1 GECF Cc1ccc(S(=O)(=O)N[C@H]2C(=O)c3ccccc3C(=O)[C@H]2n2ccnc2)cc1 102956314 YBRWLBVYGATHBO-MSOLQXFVSA-N 395.440 2.159 10 1 GECF COC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2 1645374 HDONJQIYHGHIJV-VCPQXCNPSA-N 386.356 2.380 10 1 GECF in-vivo CC[C@@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356436026 XZJYKUUICHREKF-MDRZDLKXSA-N 388.464 2.306 10 1 GECF Cc1cc(N2C(=O)CN(C)C2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822445 JAUGANJKYLICJK-UHFFFAOYSA-N 396.355 2.284 10 1 GECF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)cc1OC 95588754 UAIYDFKJKTYKQE-MOTZXUDYSA-N 388.372 2.367 10 1 GECF COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC 100775746 CWIZKMYGNOEFKO-DPMMWBKBSA-N 388.372 2.090 10 1 GECF endogenous,in-man O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCC[C@H](O)C3)c(O)cc(O)c12 72124768 DTHDZWSVDGQKHP-LBPRGKRZSA-N 399.399 2.239 10 1 GECF CN1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 299834288 RWEWOXGZJGRXBF-UHFFFAOYSA-N 395.440 2.235 10 1 GECF Nc1ccc(CN2C(=O)c3cccc4c(S(=O)(=O)O)ccc(c34)C2=O)cc1 103254218 XGYBEZQFEBKHND-UHFFFAOYSA-N 382.397 2.465 10 1 GECF COc1ccc(Cn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 45354540 SLZURDPWAPTCPT-UHFFFAOYSA-N 375.384 2.448 10 1 GECF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2O)CC[C@@]1(C)O 2356398701 ZZOZGSBZZJUFKT-YPAWHYETSA-N 384.476 2.221 10 1 GECF CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356401882 ROJRNQOAUDCMES-SFHVURJKSA-N 388.372 2.240 10 1 GECF C1=CC=C2NCCOCC/N=C3\C=CC=CC=C3NCCOCC/N=C\2C=C1 104184565 KDYFBBYOAWEEPN-FXYBLIFYSA-N 380.492 2.114 10 1 GECF COC(=O)CCc1cc(O)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2 1645376 OSQXDMXNVSJFCV-MSOLQXFVSA-N 388.372 2.299 10 1 GECF COc1cc(C2=NN(C(N)=O)[C@H](c3ccccc3O)C2)ccc1OCC(=O)O 28713556 WSPJPBDYMHAIJH-AWEZNQCLSA-N 385.376 2.094 10 1 GECF O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)[n+]([O-])c3)no2)cc(O)c1O 34894423 CFLLOPRWTLVQNN-UHFFFAOYSA-N 384.226 2.375 10 1 GECF O=C(O)C=CC=Cc1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 2356486806 FBOUTZRGPQLFJG-UHFFFAOYSA-N 396.307 2.202 10 1 GECF O=C1N[C@H](C(=O)c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)C1=O 208936063 BZDXMJQTPBQWSC-KRWDZBQOSA-N 375.340 2.297 10 1 GECF COC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2 13557629 HDONJQIYHGHIJV-YNDRMARASA-N 386.356 2.380 10 1 GECF in-vivo COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccccc3O)C2)cc1 299865868 OEPDYKLXDKTVDR-HXUWFJFHSA-N 395.459 2.411 10 1 GECF CCOC(=O)c1c2c(n(-c3ccc(O)cc3)c1N)C(=O)c1ncccc1C2=O 40395735 BVLKXKKDHNKCLE-UHFFFAOYSA-N 377.356 2.112 10 1 GECF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCC[C@H](O)C3)sc21 299825199 DEPLFMURKSPINA-VIFPVBQESA-N 396.424 2.444 10 1 GECF CC(=O)OC[C@]1(O)[C@H](C)OC[C@H]2[C@H]3Cc4c(n(C)c5ccccc45)[C@@H](C[C@H]21)N3C 2356371626 NCFQVHAJAFNGJL-CEPCZCLQSA-N 398.503 2.425 10 1 GECF C[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O 26259017 GESCOWUSZSUUEF-GIYVSIDVSA-N 381.428 2.309 10 1 GECF C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@H](N(C)C)[C@@H]1O 299804571 GESCOWUSZSUUEF-MPAAVATJSA-N 381.428 2.309 10 1 GECF N=C(N)NCCNc1c2c(c(N)c3sccc13)C(=O)c1ccccc1C2=O 299822818 CYSFULOQFMOLOF-UHFFFAOYSA-N 379.445 2.154 10 1 GECF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)c(O)c1 26637654 YXTXZOJCCBSEEO-QGZVFWFLSA-N 382.416 2.412 10 1 GECF CN(C=O)CCc1cn(C)c2c1C(=O)c1c(-c3ccc(O)cc3)c[nH]c1C2=O 14888128 XVILBCSQUJVEAO-UHFFFAOYSA-N 377.400 2.132 10 1 GECF biogenic CNCCNc1c2c(c(NCCNC)c3occc13)C(=O)c1ccccc1C2=O 653806369 WANXZCRSIOWLNA-UHFFFAOYSA-N 392.459 2.471 10 1 GECF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@@]23C 2356435892 ROMKGHRUHZIGOA-MUPCCZJASA-N 392.448 2.234 10 1 GECF C1=CC=C2NCCOCCN=C3C=CC=CC=C3NCCOCCN=C2C=C1 254144434 KDYFBBYOAWEEPN-UHFFFAOYSA-N 380.492 2.114 10 1 GECF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 169687197 DNJYZURMSVLAGV-RYGJVYDSSA-N 394.471 2.393 10 1 GECF CN(C)C(=O)c1cc(Cl)cc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O 34292002 UXCFWNGZUMBIRZ-HHQODBOJSA-N 385.807 2.499 10 1 GECF C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@H](N(C)C)[C@H]1O 135983129 GESCOWUSZSUUEF-ALEFNDHGSA-N 381.428 2.309 10 1 GECF CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(OC)cccc1C3=O 5372309 IQFGMEVOAMVELQ-FIKIJFGZSA-N 384.384 2.003 10 1 GECF biogenic CC(=N)C1=C(O)[C@@H]2[C@@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 2356326051 SREDNEAAWGFTAO-KCTSRDHCSA-N 393.443 2.355 10 1 GECF CCC(CC)C(=O)N[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 96928433 TUVGIODJHKYPCB-HQPKTYMTSA-N 392.452 2.013 10 1 GECF COc1c(OC)c(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OC 15271760 OFGHNZOBBMHLFF-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)NCc1ccccc1 71928153 SFZZPVIYXBOTIX-UHFFFAOYSA-N 381.417 2.086 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 214228240 RCEWLGWTZHROAQ-PXIXMTEYSA-N 384.388 2.179 10 1 GECF C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 2356303330 QRZOFOHJTJQYQW-JTHBVZDNSA-N 381.520 2.145 10 1 GECF O=C1NC(=O)c2ccc(Br)cc2/C1=C/NCc1ccc(O)c(O)c1 40939088 JQGJCHUUGZQKAW-JYRVWZFOSA-N 389.205 2.261 10 1 GECF COC(=O)O[C@@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O 59729345 MQAHKRVNVQQRHE-KRWDZBQOSA-N 388.284 2.456 10 1 GECF CN(CS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1 45255121 YWVULHAALOTZRC-WUKNDPDISA-N 384.439 2.031 10 1 GECF COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc(O)c1O 15271819 VGHXMADJWRYELS-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic CN1C[C@H](CNC(=O)c2ccncn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297438 JLVNMZUAJZGDRE-JNAXZKDPSA-N 375.476 2.358 10 1 GECF C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O 26259030 GESCOWUSZSUUEF-WUMIZFIASA-N 381.428 2.309 10 1 GECF CCN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(OC)c(OC)c(OC)c1 3814984 NCMHTKRKBAUPSS-UHFFFAOYSA-N 384.440 2.242 10 1 GECF CC(=O)N/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 13346526 RCEWLGWTZHROAQ-CLJKYYQGSA-N 384.388 2.179 10 1 GECF biogenic,in-vitro C[C@@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C[C@@H](O)[C@@H]1O 31161111 QCQOZKQMMJTMPI-GPDVZAFTSA-N 384.384 2.443 10 1 GECF COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(O)c1O 587786406 TZFNEPXZIXACMT-DAXSKMNVSA-N 389.433 2.403 10 1 GECF COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(O)c1O 15271619 SPLCCLBYRBKYMR-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@@H]12 2356590354 LJEAEZKLTWRSSS-HTAPYJJXSA-N 382.460 2.387 10 1 GECF C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](OC)O2 40935251 ZORZPKUBRKXKSU-WRFKIARRSA-N 376.317 2.495 10 1 GECF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc(O)c1O 2356382710 LETYTGSICBFRCZ-AUUYWEPGSA-N 376.405 2.250 10 1 GECF COc1cc(O)c(O)cc1-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC 15271477 NEEAZBRBEVXSIZ-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O 101164562 OHWPXNCKGWEEQM-JRQSSSKMSA-N 388.416 2.184 10 1 GECF CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 13341242 ROJRNQOAUDCMES-MOTZXUDYSA-N 388.372 2.240 10 1 GECF CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@@H]1O2 95899462 GPFYAHQBAZFVLI-VARILPKDSA-N 396.487 2.454 10 1 GECF COc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(O)c1O 587785610 OEYUISMSLAHWLW-BQYQJAHWSA-N 389.433 2.403 10 1 GECF CC=C1CN2CCc3c(n(CO)c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356634908 QFKQSWMJUPHGJZ-GGPKGHCWSA-N 384.476 2.238 10 1 GECF Cc1ccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c2c1 653918446 KUYVOAHYRNGSQH-JYRVWZFOSA-N 399.457 2.262 10 1 GECF COc1cc([C@H](O)[C@H]2CNCCc3cc(O)c(O)cc32)cc(OC)c1OC 40766717 QOXCHICYLMYKFV-LIRRHRJNSA-N 375.421 2.087 10 1 GECF COc1ccc([C@@]2(CCC(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c(O)c1 962927950 FYLIXLZCXLJUNI-JOCHJYFZSA-N 398.459 2.357 10 1 GECF COC(=O)CCc1cc(O)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2 1645378 OSQXDMXNVSJFCV-QZTJIDSGSA-N 388.372 2.299 10 1 GECF O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCN1CCOCC1 653830076 BMDQOGYAFHVGSI-UHFFFAOYSA-N 375.428 2.330 10 1 GECF COc1c(O)c([C@H]2CCC(=O)N2)c(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 1911573837 NNFCXXSCWRAKDD-DGCLKSJQSA-N 385.372 2.470 10 1 GECF COc1cc([C@@H]2c3cc(O)c(O)c(O)c3C[C@H]3COC(=O)[C@@H]32)cc(OC)c1O 29333811 DCDFEOCBQJJZFD-OBPXBXINSA-N 388.372 2.003 10 1 GECF CNCCNc1c2c(c(NCCNC)c3[nH]ccc13)C(=O)c1ccccc1C2=O 34867600 AXSQZZOUJLWOOO-UHFFFAOYSA-N 391.475 2.206 10 1 GECF COc1ccc(N2CCN(C(=O)CCc3cc4c(cc3N)OCO4)CC2)cc1 96932830 FTLDZKYWQGIOOM-UHFFFAOYSA-N 383.448 2.288 10 1 GECF CN1C(=O)C[C@@H]2CN[C@@]3(CC=Cc4cc(O)c(O)c(O)c4C3=O)c3cccc1c32 963022403 IWKAHFVGNIDTTL-IPQOISQHSA-N 392.411 2.352 10 1 GECF COc1ccccc1[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 117855244 VJEMAKQKNYWEFQ-SFHVURJKSA-N 382.464 2.440 10 1 GECF O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCN1CCOCC1 473168130 KLTUZSFZYJSCLY-UHFFFAOYSA-N 375.428 2.330 10 1 GECF Cc1cc2c(NCCN)c3c(c(NCCN)c2o1)C(=O)c1ccccc1C3=O 66066003 PIWNIIWKOQPONH-UHFFFAOYSA-N 378.432 2.258 10 1 GECF CC(=O)NC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 2356392852 RCEWLGWTZHROAQ-UXHICEINSA-N 384.388 2.179 10 1 GECF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C 2356435891 ROMKGHRUHZIGOA-IRYAXTIJSA-N 392.448 2.234 10 1 GECF COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(O)c2)c(CO)cc1O 2356361885 AKHWALZUEMWQOQ-INIZCTEOSA-N 390.432 2.190 10 1 GECF CN(C)CCCOC(=O)c1c2c(n3cccc(F)c13)C(=O)c1ncccc1C2=O 1857758342 UUHOHYWBEDWKTR-UHFFFAOYSA-N 395.390 2.357 10 1 GECF CC(C)(CO)n1nnnc1[C@@H](c1cccc(F)c1O)N1CCc2ccccc2C1 1772644286 HWWIZUUUGKJWLW-GOSISDBHSA-N 397.454 2.393 10 1 GECF CN(C)c1ccc(C=C2C(=O)NN=C2c2c(O)n(C)c3ccccc3c2=O)cc1 2356825734 HFLPTUYBODMMQZ-UHFFFAOYSA-N 388.427 2.228 10 1 GECF O=C(O)[C@H]1NCCN(C(=O)c2ccc(/N=N/c3ccccc3)cc2)[C@H]1C(=O)O 82149056 OWLCQDZNALVPKV-BQLLGCRXSA-N 382.376 2.054 10 1 GECF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cnc(C(F)(F)F)nc2)cc1 1857598153 LTUGRQOJNMSJGJ-CVEARBPZSA-N 393.413 2.181 10 1 GECF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)O 2356594656 YARGAIDQWIPKBF-QSERVGRKSA-N 398.459 2.199 10 1 GECF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 95558176 JNXZPVRXTJWNTA-UHFFFAOYSA-N 390.812 2.317 10 1 GECF CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 6783325 HWAZWUWYGXSFAI-UHFFFAOYSA-N 377.491 2.275 10 3 GECF CC(=O)[C@H](CC(=O)O)[C@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C 2356450905 MWFHBQDCJDLLJP-KXOXPVICSA-N 384.476 2.384 10 1 GECF C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@H](C)N=NC(N)=O)cc1)N=NC(N)=O 263594282 CGQMNQSWTBDETI-UWVGGRQHSA-N 390.404 2.183 10 1 GECF O=C1c2c(cc(O)c([C@@H]3CCCCN3)c2O)O[C@@H](c2ccc(O)c(O)c2)[C@H]1O 1772641103 VAJOHHMIRONBOV-KEPYVXIBSA-N 387.388 2.001 10 1 GECF Cc1cc(=O)oc2c(C)c3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12 69062007 CEQGGFSSTKJKPR-UHFFFAOYSA-N 380.312 2.106 10 1 GECF Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(cc3cc(O)cc(O)c3c1O)C2=O 238774095 RZNIVTZVZKOOGC-UHFFFAOYSA-N 380.308 2.444 10 1 GECF COC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 40763454 WIDWXJDDEQVTKG-UHFFFAOYSA-N 388.380 2.006 10 1 GECF COc1cc(O)c2c(c1OC(C)=O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O 84759519 HVCPDVLSJSEEQU-UHFFFAOYSA-N 384.340 2.335 10 1 GECF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@@H](O)[C@@H](C)[C@H]3OC(C)=O 136068568 DXRKISDBIVBBFG-WEYJGOAGSA-N 394.379 2.268 10 1 GECF O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCCNC3)c1c2O 299820566 HQEVAXRMPFOGRZ-GFCCVEGCSA-N 391.427 2.196 10 1 GECF Cc1occ2c1C(=O)c1c(cc(O)c(O)c1O)[C@]21NC(=O)c2ccccc2N1 2356327792 IJICXCRLPKFODZ-FQEVSTJZSA-N 378.340 2.306 10 1 GECF O=C(O)/C=C\C=C/c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 238787510 FBOUTZRGPQLFJG-CCAGOZQPSA-N 396.307 2.202 10 1 GECF COc1cc2c(c(O)c1O)C(=O)[C@H](OC)[C@@H](c1cc(O)c(OC)c(OC)c1)O2 69482256 UILSQFXJBUZWGA-MJGOQNOKSA-N 392.360 2.161 10 1 GECF biogenic,in-vitro COc1cc(C=CC(=O)OCC(=O)[C@@H](OC)c2ccc(O)c(O)c2)ccc1O 2356609960 BMUMFENOGAOBAV-FQEVSTJZSA-N 388.372 2.325 10 1 GECF COc1ccc(N2CCN(C[C@H]3CN=C4c5ccccc5NC(=O)N43)CC2)cc1 13832338 CSXULHKXIDZHEC-QGZVFWFLSA-N 391.475 2.494 10 1 GECF CCc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 1772653822 BMWMIFFFCMWDDW-MSOLQXFVSA-N 388.423 2.118 10 1 GECF CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)OC(=O)C(C)(C)C 1772574001 WDCPKJRGPUFUJJ-ZDUSSCGKSA-N 399.444 2.008 10 1 GECF CC[C@@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356436025 XZJYKUUICHREKF-GKKDWNQVSA-N 388.464 2.306 10 1 GECF CC(C)[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1=O 2356851367 QGYKATBWAIDMKB-OAQYLSRUSA-N 380.352 2.029 10 1 GECF COc1ccc(N2CCN(C(=O)Nc3cnc4cc(C)ccn4c3=O)CC2)cc1 95607153 XAUXPOFXXDQNFN-UHFFFAOYSA-N 393.447 2.366 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2 299821803 GQCIUKYLYQCJPL-KGMDJONISA-N 384.388 2.179 10 1 GECF C[C@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N\C(N)=O)cc1)/N=N\C(N)=O 16957810 CGQMNQSWTBDETI-GTIWZSINSA-N 390.404 2.183 10 1 GECF COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC 13383387 CWIZKMYGNOEFKO-YXKWSERDSA-N 388.372 2.090 10 1 GECF in-man COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@H]1O[C@@](C)(CC[C@H]1O)O3)C2=O 2356618410 RJWLVUKDQNSXEH-ZYWKYPLSSA-N 398.367 2.203 10 1 GECF C[N+]1(CCn2c(C(F)(F)F)nc3c2C(=O)c2ccccc2C3=O)CCOCC1 1857537007 HXTHGSXCPGLCTR-UHFFFAOYSA-N 394.373 2.154 10 1 GECF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc(C(F)(F)F)n(C)n2)cc1 1857574669 WFMAJDYOBCBAGU-GJZGRUSLSA-N 395.429 2.124 10 1 GECF CC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169294511 NTAYQQFNWIOEMY-OZQHCQBDSA-N 394.427 2.071 10 1 GECF O=C(Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 102251621 WXBUJKCBWDXJHV-VZCXRCSSSA-N 388.449 2.065 10 1 GECF CN(Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)CC1OCCO1 95590386 LDAIYJAQURWPPF-UHFFFAOYSA-N 377.400 2.143 10 1 GECF [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335160 KSNOINXULVHITF-RIFZZMRRSA-N 399.378 2.122 10 1 GECF COc1ccc(Cc2nnc(/N=N/Cc3ccc(O)cc3O)[nH]c2=O)cc1OC 169688067 IMGSVFWVOGWCPS-BSYVCWPDSA-N 397.391 2.468 10 1 GECF O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C1=O 29045910 GXABMXZYEVFMKB-MLPAPPSSSA-N 389.341 2.471 10 1 GECF CC(=O)NC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 2356392853 RCEWLGWTZHROAQ-VQTJNVASSA-N 384.388 2.179 10 1 GECF Cc1c(F)ccc2c1[C@@]1(C=C(Br)c3nonc3C1=[N+]=[N-])NCC2 962141094 BATFFYHSQIRVDZ-OAHLLOKOSA-N 376.189 2.327 10 1 GECF COc1cccc2c1C(=O)c1c(OC)cc(COC(=O)CCC(=O)O)cc1C2=O 95589416 LFKZJTIDMSBPMT-UHFFFAOYSA-N 398.367 2.387 10 1 GECF CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@@H]12 2356590355 LJEAEZKLTWRSSS-JTSKRJEESA-N 382.460 2.387 10 1 GECF COc1ccc(N2CCN(C(=O)c3cc4cc(C(N)=O)ccc4[nH]3)CC2)cc1 142059636 WYDFHSJVCWUBMG-UHFFFAOYSA-N 378.432 2.238 10 1 GECF COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccccc3O)C2)cc1 299865867 OEPDYKLXDKTVDR-FQEVSTJZSA-N 395.459 2.411 10 1 GECF COC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC 84587675 GGCBRMCAJQAIEZ-QZTJIDSGSA-N 386.356 2.000 10 1 GECF Cc1c(N2CC3=CCCN[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3952885 ATTWAJLIMNVEMY-KRWDZBQOSA-N 383.423 2.431 10 1 GECF O=[N+]([O-])c1cc(-c2nc(-c3c[n+]([O-])ccc3C(F)(F)F)no2)cc(O)c1O 34894419 JWXXFZUZQNSKIZ-UHFFFAOYSA-N 384.226 2.375 10 1 GECF C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)N=NC(N)=O)cc1)N=NC(N)=O 263594280 CGQMNQSWTBDETI-AOOOYVTPSA-N 390.404 2.183 10 1 GECF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@@H]3C=CC(=O)OC[C@@H]3CN12 2356444785 IWLOQDNPIAIHNV-LSOMNZGLSA-N 380.444 2.368 10 1 GECF COc1ccc(N2CCN(C[C@@H]3CN4C(=O)Nc5ccccc5C4=N3)CC2)cc1 22940633 YFEZJKYEWSFHFG-MRXNPFEDSA-N 391.475 2.494 10 1 GECF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)O 2356594654 YARGAIDQWIPKBF-OQSMSRJHSA-N 398.459 2.199 10 1 GECF Nc1ccc(CNC(=O)C[C@H]2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 35271596 VARXOJXJKFRUFG-GOSISDBHSA-N 391.479 2.310 10 1 GECF Nc1ccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)cc1 1772581754 LDSJURJAZWDGGC-BZSNNMDCSA-N 386.525 2.177 10 1 GECF COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC 100775744 CWIZKMYGNOEFKO-RQUSPXKASA-N 388.372 2.090 10 1 GECF endogenous,in-man CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@@H]1C 95661193 GNDRVPIQJFGRPQ-KBXCAEBGSA-N 376.501 2.272 10 1 GECF CN1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)CC1 72124700 NUUFSPDMNRIGGO-UHFFFAOYSA-N 398.415 2.030 10 1 GECF COc1cc([C@@H]2c3cc(O)c(O)c(O)c3C[C@@H]3COC(=O)[C@@H]32)cc(OC)c1O 29333807 DCDFEOCBQJJZFD-ISDMBGJFSA-N 388.372 2.003 10 1 GECF CN1CCN(Cc2c(O)c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 40918244 NZDRFIGSZYJEPB-UHFFFAOYSA-N 382.416 2.324 10 1 GECF Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccc2)cn1 118759044 NXHDDXUCYGDTGF-UHFFFAOYSA-N 375.436 2.047 10 1 GECF COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2CCO)cc(OC)c1OC 28097765 HHHBMRDMTJXHRY-INIZCTEOSA-N 389.448 2.258 10 1 GECF COc1ccc(/C=C/C(=O)OCC(=O)[C@@H](OC)c2ccc(O)c(O)c2)cc1O 13396848 CHXPHFPEBKXQNH-BFSLETRISA-N 388.372 2.325 10 1 GECF biogenic,in-vitro CC(=O)OC[C@]1(O)[C@H](C)OC[C@H]2[C@@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356371627 NCFQVHAJAFNGJL-HOQFRQJISA-N 398.503 2.425 10 1 GECF NCCNc1c2c(c(NCCN)c3sccc13)C(=O)c1ccccc1C2=O 40892222 UFTNKKBUZZUMBK-UHFFFAOYSA-N 380.473 2.418 10 1 GECF Cn1c(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc(=O)n(C)c1=O 617960112 RFYKOXWORUKCDX-UHFFFAOYSA-N 378.186 2.449 10 1 GECF C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(Cc3ccccc3O)CCN21 2356303328 QRZOFOHJTJQYQW-GGAORHGYSA-N 381.520 2.145 10 1 GECF CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356401881 ROJRNQOAUDCMES-GOSISDBHSA-N 388.372 2.240 10 1 GECF COc1ccc(N2CCN(C[C@H]3CN4C(=O)Nc5ccccc5C4=N3)CC2)cc1 22940636 YFEZJKYEWSFHFG-INIZCTEOSA-N 391.475 2.494 10 1 GECF COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC 13383386 CWIZKMYGNOEFKO-ZUSMLRIVSA-N 388.372 2.090 10 1 GECF endogenous,in-man COc1ccc(C[C@@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)c(O)c1O 49116481 UGJMSWMTFGFAQD-SNVBAGLBSA-N 376.361 2.269 10 1 GECF biogenic O=C(Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)N1CCOCC1 473159854 XUCLCXLEARIZOI-UHFFFAOYSA-N 399.355 2.408 10 1 GECF COC(=O)c1c2c(n(-c3ccc(OC)cc3)c1N)C(=O)c1ncccc1C2=O 40866444 HSOFZTXAXGVBMO-UHFFFAOYSA-N 377.356 2.025 10 1 GECF COc1cc([C@H]2OC(=O)[C@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@@H]23)cc(OC)c1O 86032437 HTEHANGVKGKXLH-ARHVJBTESA-N 388.372 2.422 10 1 GECF CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@H]1O2 95899465 GPFYAHQBAZFVLI-LHWDRQQYSA-N 396.487 2.454 10 1 GECF C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(Cc3ccccc3O)CCN21 2356303325 QRZOFOHJTJQYQW-FYYLOGMGSA-N 381.520 2.145 10 1 GECF O=C(O)[C@H]1CCCN1C(=O)CC(=S)[C@H](O)c1ccc(Br)cc1 169713615 BUJVMTRYEHBFRL-BXUZGUMPSA-N 386.267 2.318 10 1 GECF CN1CCN(CCCOc2cc(O)c3c(c2)C(=O)c2ccccc2C3=O)CC1 72181380 SUEPBNCWYHQZAB-UHFFFAOYSA-N 380.444 2.184 10 1 GECF COc1cc([C@H]2OC(=O)[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)cc(OC)c1O 14609854 HTEHANGVKGKXLH-NDCLTGCFSA-N 388.372 2.422 10 1 GECF CCc1c2c(nc3ccccc13)-c1c3c(c(CO)c(=O)n1C2)[C@@](O)(CC)C(=O)N3 66128691 NPUHIGJVAVADKL-QFIPXVFZSA-N 391.427 2.030 10 1 GECF CCOC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948637 QCFPMFWPMAMQNL-UHFFFAOYSA-N 375.406 2.484 10 1 GECF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@@H]3C=CC(=O)OC[C@H]3CN12 2356444784 IWLOQDNPIAIHNV-FTUNRGFVSA-N 380.444 2.368 10 1 GECF COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc(N)cc1C3=O 28711276 HEFCSPMRKRNUSY-UHFFFAOYSA-N 379.416 2.161 10 1 GECF O=C(CCN1CCN(C(=O)c2ccccc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 13585755 WPBZBVCOIVOZRE-UHFFFAOYSA-N 399.403 2.037 10 1 GECF NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 27189671 NQRNJKOFAHJGTF-UHFFFAOYSA-N 393.355 2.199 10 1 GECF O=C1c2ccccc2C(=O)c2c1nc(-c1ccncc1)n2CCN1CCOCC1 1857752546 FEEYXKWMQNGNFR-UHFFFAOYSA-N 388.427 2.053 10 1 GECF CCN(CC)CCC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(O)c1C2=O 27736693 DDGQEBFELSFLCG-UHFFFAOYSA-N 398.415 2.249 10 1 GECF CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169294509 NTAYQQFNWIOEMY-QSNWEANLSA-N 394.427 2.071 10 1 GECF O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1O 13687283 OQDWGOSXEJFUBG-QMMMGPOBSA-N 384.635 2.046 10 1 GECF CCOC(=O)C1=NN(CC)C2(C(=O)c3ccccc3C2=O)[P@@]1(=O)OCC 40917093 FXUOGDKOUAYMNI-SANMLTNESA-N 378.321 2.289 10 1 GECF O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCC[C@@H](O)C3)c(O)cc(O)c12 72124769 DTHDZWSVDGQKHP-GFCCVEGCSA-N 399.399 2.239 10 1 GECF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCOCC3)sc21 299831452 IXLZNNLVYXLWNU-UHFFFAOYSA-N 382.397 2.320 10 1 GECF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(O)c1O 2356382712 LETYTGSICBFRCZ-LIRRHRJNSA-N 376.405 2.250 10 1 GECF CN1CCCN(c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)CC1 62233388 POHKKTNIKJPBBF-PTNGSMBKSA-N 391.518 2.114 10 1 GECF CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C 95663663 FXVQNSHCZWCEJT-HNAYVOBHSA-N 390.528 2.200 10 1 GECF CC(=O)NCCCCCNC(=O)c1ccc(/C=C2\SC(=S)NC2=O)cc1 221480962 NPDBQLTWXJYROQ-PTNGSMBKSA-N 391.518 2.212 10 1 GECF Cc1oc2c(O)c3c(c(O)c2c1CN1CC[C@@H](N)C1)C(=O)c1ccccc1C3=O 1857763273 GWPBVUXSZVJGFW-LLVKDONJSA-N 392.411 2.461 10 1 GECF C[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 29233518 LNCLEGULBFWCRV-BGYRXZFFSA-N 390.388 2.476 10 1 GECF CN(C)/N=N\c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 13152198 DOMVEXKTZKRJQW-MXLIYFDZSA-N 376.438 2.221 10 1 GECF COc1cccc(CNc2nc(N3CCNCC3)nc3c2ncn3C(C)C)c1O 95601922 WNGBFCDSTYVCFL-UHFFFAOYSA-N 397.483 2.143 10 1 GECF CN1C(=O)C[C@H]2CN[C@]3(CC=Cc4cc(O)c(O)c(O)c4C3=O)c3cccc1c32 963022400 IWKAHFVGNIDTTL-AMXDTQDGSA-N 392.411 2.352 10 1 GECF O=C1c2cccc3c2C(=O)c2c(cccc21)OCCOCCOCCOCCO3 5883137 CDVLSTFERMNIJY-UHFFFAOYSA-N 398.411 2.283 10 1 GECF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)c(O)c1 3817201 YXTXZOJCCBSEEO-KRWDZBQOSA-N 382.416 2.412 10 1 GECF O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCOCC3)c(O)cc(O)c12 72124699 MLZQXXWVMYPHDQ-UHFFFAOYSA-N 385.372 2.115 10 1 GECF CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](OC)O2 2356646372 ZORZPKUBRKXKSU-GOSISDBHSA-N 376.317 2.495 10 1 GECF COC(=O)CCc1cc(O)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2 1645377 OSQXDMXNVSJFCV-ZWKOTPCHSA-N 388.372 2.299 10 1 GECF C1=CC=C2NCCOCC/N=C3/C=CC=CC=C3NCCOCC/N=C\2C=C1 102950067 KDYFBBYOAWEEPN-VQINFILPSA-N 380.492 2.114 10 1 GECF NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@@H](C(N)=O)C3)ccc1O 27655337 AVNNLNRKGODILF-GFCCVEGCSA-N 381.215 2.178 10 1 GECF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2O)CC[C@]1(C)O 2356398700 ZZOZGSBZZJUFKT-VSKRKVRLSA-N 384.476 2.221 10 1 GECF CC(=CCc1c(O)cc2c(c1O)CN(CCO)C2=O)CCC=C(C)C(=O)O 2356710270 WFUALHCWGPSZPU-UHFFFAOYSA-N 375.421 2.346 10 1 GECF O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCNCCO 28711277 KNLKWSNRVCXVQF-UHFFFAOYSA-N 393.399 2.093 10 1 GECF [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335170 KSNOINXULVHITF-XAUMDUMWSA-N 399.378 2.122 10 1 GECF Cn1c(=O)n(Cc2ccccc2O)c2ncc(C(=O)NCc3ccccc3)cc21 621430162 BPQWVLAYYCDIJG-UHFFFAOYSA-N 388.427 2.419 10 1 GECF CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC 5004089 INYMGFOOIHFPOO-VGOFRKELSA-N 396.395 2.217 10 1 GECF biogenic C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 85593584 AWTAMBVBMLRCCL-KNQAVFIVSA-N 397.427 2.260 10 1 GECF biogenic,in-vitro O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(I)c1 42892455 YOVXYLYNYIJFGY-UHFFFAOYSA-N 395.152 2.499 10 1 GECF COc1ccc(N2CN=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n3C2)cc1 101410663 PLSRDSGHHGDMEV-LICLKQGHSA-N 385.876 2.455 10 1 GECF O=C(O)/C=C\C=C\c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 238787511 FBOUTZRGPQLFJG-TZFCGSKZSA-N 396.307 2.202 10 1 GECF Cc1cc(-n2c(O)cn(C)c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 169719772 IERADWKVXKEABW-UHFFFAOYSA-N 396.355 2.080 10 1 GECF Cc1ccc2c(c1)cc(/C=C1\SC(=S)N(CCC(=O)O)C1=O)c1nnnn12 653918441 GWWYWOXBDVONRE-JYRVWZFOSA-N 399.457 2.262 10 1 GECF CCc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 1772653823 BMWMIFFFCMWDDW-QZTJIDSGSA-N 388.423 2.118 10 1 GECF O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 169686887 NFEJMHUFBXPEEZ-UHFFFAOYSA-N 396.515 2.127 10 1 GECF COC(=O)/C=C/c1cc(O)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2 6006621 HDONJQIYHGHIJV-KCILRPRFSA-N 386.356 2.380 10 1 GECF in-vivo CC=C1C[C@H]2[C@@H]3N(C1)[C@H]1C[C@]4(c5cc(OC)ccc5N(C)[C@@]34O1)[C@H]2C(=O)OC 2356607206 FGCMZAMGOPMONJ-PHCOHBDUSA-N 382.460 2.279 10 1 GECF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)nc3[nH]2)c1 586949351 UOWCOGQQSLBYIX-UHFFFAOYSA-N 383.227 2.465 10 1 GECF O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1 653825868 HICQBKOKORWOBE-UHFFFAOYSA-N 375.428 2.330 10 1 GECF Cc1oc2c(O)c3c(c(O)c2c1CN1CC[C@H](N)C1)C(=O)c1ccccc1C3=O 1857643361 GWPBVUXSZVJGFW-NSHDSACASA-N 392.411 2.461 10 1 GECF COc1ccc(N2CCN(C(=O)c3cc4cc(C(N)=O)ccc4[nH]3)CC2)cc1F 143460313 RJFIICPAZZMLIO-UHFFFAOYSA-N 396.422 2.377 10 1 GECF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 169687194 DNJYZURMSVLAGV-CDHQVMDDSA-N 394.471 2.393 10 1 GECF COc1cc(C)c2c(=O)c3c(oc2c1)C(=O)c1c(O)c(OC)cc(O)c1C3=O 104929712 QXNACSREWQXWCV-UHFFFAOYSA-N 382.324 2.305 10 1 GECF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc4c3c3cccnc3n4C)C[C@H]12 27868947 POBXYBOJFXSYNK-UHNFBRDESA-N 377.400 2.134 10 1 GECF O=C(NC1CCCCC1)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 199388416 VUQBCUDZCSCXRP-UHFFFAOYSA-N 396.495 2.462 10 3 GECF Nc1nc2c(cnn2CCCc2ccc(O)c(O)c2)c2nc(-c3ccco3)nn12 13554858 LCNBVQXGZHCINL-UHFFFAOYSA-N 391.391 2.360 10 1 GECF O=C(O)[C@H]1CC[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1 2356784218 NQXPVCMHNAAPCA-VHSXEESVSA-N 399.355 2.160 10 1 GECF COc1ccc(C[C@H]2c3c(cc4c(c3O)OCO4)CCN2C)c(CO)c1OC 14612476 RFBYWNZQDSXRGS-HNNXBMFYSA-N 387.432 2.402 10 1 GECF biogenic COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCCN)cc(OC)c1C2=O 96932562 OXZUXPUBNYWCRQ-UHFFFAOYSA-N 398.459 2.316 10 1 GECF CN1CCN(Cc2c(O)c(O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1 95558494 UOFUGLTYJUVSGL-UHFFFAOYSA-N 398.415 2.030 10 1 GECF O=C(O)/C=C/C=C\c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 238787512 FBOUTZRGPQLFJG-HSFFGMMNSA-N 396.307 2.202 10 1 GECF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2O)CC[C@@]1(C)O 2356398699 ZZOZGSBZZJUFKT-BHDDXSALSA-N 384.476 2.221 10 1 GECF CCOC(=O)C1=NN(CC)C2(C(=O)c3ccccc3C2=O)[P@]1(=O)OCC 40917091 FXUOGDKOUAYMNI-AREMUKBSSA-N 378.321 2.289 10 1 GECF CC(C)(C)c1ccc(O)c([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963218456 IERMADMSSKTVOY-TXPKVOOTSA-N 394.475 2.260 10 1 GECF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2CC(=O)N1CCCC1 1857558048 WTZOUUVQTSVTEC-UHFFFAOYSA-N 385.508 2.455 10 1 GECF CCOC(=O)[C@@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(O)c(O)c1 2356713647 OCKABMGRENACSE-ZWKOTPCHSA-N 386.356 2.302 10 1 GECF COc1ccc2c(c1)c(C=C1C(=O)NC(=O)NC1=O)cn2Cc1ccccc1 45354697 XSIDJLVAKMJQQE-UHFFFAOYSA-N 375.384 2.448 10 1 GECF COc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 98208571 VJEMAKQKNYWEFQ-GOSISDBHSA-N 382.464 2.440 10 1 GECF in-vitro COc1ccc(N2CCN(CCCn3cnc4c(OC)ncnc43)CC2)cc1 61922503 ZMWQGIZECQWJIR-UHFFFAOYSA-N 382.468 2.056 10 3 GECF O=[N+]([O-])c1cc(-c2nc(-c3ccc[n+]([O-])c3C(F)(F)F)no2)cc(O)c1O 34892981 CDLUHUJPYFDKMU-UHFFFAOYSA-N 384.226 2.375 10 1 GECF COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)c(OC)c1 40893612 WKMVPVGHVGFJLG-UHFFFAOYSA-N 381.395 2.094 10 1 GECF Nc1ccc(CN2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1 103254198 FUUPMOBRRXVGSY-UHFFFAOYSA-N 397.412 2.047 10 1 GECF O=C(O)[C@@H]1CCCN1C(=O)CC(=S)[C@@H](O)c1ccc(Br)cc1 169713612 BUJVMTRYEHBFRL-FZMZJTMJSA-N 386.267 2.318 10 1 GECF CN(C)CCN(C)c1cc2c(cn1)C(=O)C(=O)c1c-2nc2ccc(Cl)cn12 96933181 JMCBGJZFJJSNMW-UHFFFAOYSA-N 383.839 2.427 10 1 GECF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(N)cc3)n2)n[nH]1 261129694 KWFNPPHHKZGWMQ-UHFFFAOYSA-N 380.456 2.378 10 1 GECF COc1cc(/C=C/C(=O)OCC(=O)[C@@H](OC)c2ccc(O)c(O)c2)ccc1O 13396855 BMUMFENOGAOBAV-BFSLETRISA-N 388.372 2.325 10 1 GECF biogenic,in-vitro CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C 95662073 FXVQNSHCZWCEJT-DNVCBOLYSA-N 390.528 2.200 10 1 GECF COc1ccc2c(c1)c(CC(=O)NCC1CC1)c(C)n2CCN1CCOCC1 1857575184 IONPPZRQCZJNJB-UHFFFAOYSA-N 385.508 2.359 10 1 GECF CN1C(=O)C[C@@H]2CN[C@]3(CC=Cc4cc(O)c(O)c(O)c4C3=O)c3cccc1c32 963022406 IWKAHFVGNIDTTL-VERVWZFWSA-N 392.411 2.352 10 1 GECF CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@H]1C 95664168 GNDRVPIQJFGRPQ-RDTXWAMCSA-N 376.501 2.272 10 1 GECF CC[C@@]1(O)C[C@@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 238777895 HMMCFZFVWXRXDH-RADWXHQJSA-N 396.395 2.002 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 299828386 RCEWLGWTZHROAQ-KGMDJONISA-N 384.388 2.179 10 1 GECF CC[C@]1(O)C[C@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356446858 HMMCFZFVWXRXDH-CECAUBDESA-N 396.395 2.002 10 1 GECF CN(C)CCOc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948503 HLEQUPLZACHDGQ-UHFFFAOYSA-N 390.465 2.247 10 1 GECF COc1cc(C[C@@H](O)c2ccc(N3CCNCC3)cc2)c([N+](=O)[O-])cc1OC 1857761816 PPJWMOGZMFHJRJ-GOSISDBHSA-N 387.436 2.298 10 1 GECF COc1ccc(C=CC(=O)OCC(=O)[C@H](OC)c2ccc(O)c(O)c2)cc1O 2356635584 CHXPHFPEBKXQNH-HXUWFJFHSA-N 388.372 2.325 10 1 GECF CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 299828382 RCEWLGWTZHROAQ-COJDAZNPSA-N 384.388 2.179 10 1 GECF Oc1cccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1 169686947 GKHCFWRYTBIZCQ-BSYVCWPDSA-N 384.440 2.139 10 1 GECF CC(C)(CO)n1nnnc1[C@H](c1cccc(F)c1O)N1CCc2ccccc2C1 1772644287 HWWIZUUUGKJWLW-SFHVURJKSA-N 397.454 2.393 10 1 GECF CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O 40392071 OHWPXNCKGWEEQM-GTXQTCRKSA-N 388.416 2.184 10 1 GECF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)c2c(O)c(CO)cc(O)c21 963330317 WXCHCQQQXYGBFP-QHCPKHFHSA-N 389.407 2.278 10 1 GECF CN1C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O 1772641053 RLCZNEAUKRPLDT-HZPDHXFCSA-N 394.814 2.209 10 1 GECF CN1C[C@H](CNC(=O)c2cnccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297434 XRHILYKJGSNPBB-JNAXZKDPSA-N 375.476 2.358 10 1 GECF CC(=O)[C@H](CC(=O)O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@H]1CO)N2C 2356450907 MWFHBQDCJDLLJP-UHBFJLORSA-N 384.476 2.384 10 1 GECF Cc1ccc(C)n1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2CC(=O)O 36338522 WGJFBLOCYCDHRN-UHFFFAOYSA-N 381.310 2.201 10 1 GECF C1=CC=C2NCCOCC/N=C3\C=CC=CC=C3NCCOCC/N=C/2C=C1 73298576 KDYFBBYOAWEEPN-CTWPWMDCSA-N 380.492 2.114 10 1 GECF O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCN1CCOCC1 653827928 NZVQMAFQOUUMOV-UHFFFAOYSA-N 375.428 2.330 10 1 GECF COc1cc(C2=C(O)C(=C(C(=O)O)c3ccc(O)c(O)c3)OC2=O)ccc1O 2356561963 MVSOCUUBSBSXRT-UHFFFAOYSA-N 386.312 2.134 10 1 GECF COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 28711200 VGSWLEUZIXJPTF-UHFFFAOYSA-N 379.372 2.479 10 1 GECF CN(C)CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 84723372 IEYONIJVAZMALP-UVTDQMKNSA-N 380.491 2.303 10 1 GECF O=C1c2ccccc2C(=O)c2c1nc(-c1ccco1)n2CCN1CCOCC1 1857637740 RLLHEQBMQUVZGE-UHFFFAOYSA-N 377.400 2.251 10 1 GECF CC(C)(C)c1nnc(/N=N/Cc2cc(Br)ccc2O)n(N)c1=O 169690183 NGLDTGORIBUFEV-HTXNQAPBSA-N 381.234 2.402 10 1 GECF COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@H]1O[C@@](C)(CC[C@@H]1O)O3)C2=O 2356618409 RJWLVUKDQNSXEH-MWECQKEOSA-N 398.367 2.203 10 1 GECF CCN1C(N(C)C)=Nc2cc(N)ccc2[C@H]1CC(=O)NCc1ccc(N)cc1 45367924 CJXVSJOYOPIRCV-LJQANCHMSA-N 380.496 2.483 10 1 GECF [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(NCCc4ccccc4)c32)O[C@@H]1CO 96933219 DTIMCUIDZDRWLS-BFHYXJOUSA-N 395.427 2.022 10 1 GECF CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@H]12 2356590356 LJEAEZKLTWRSSS-VGOFRKELSA-N 382.460 2.387 10 1 GECF CCS(=O)(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948382 OIANRAKGFDHKEX-UHFFFAOYSA-N 395.462 2.101 10 1 GECF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(N(CCO)CCO)cc1 963052795 HBHWGBYITOOOFX-JOCHJYFZSA-N 393.487 2.270 10 1 GECF COc1cc(OC)cc(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)c1 40979618 ZCRCIWKFVFVUMM-UHFFFAOYSA-N 381.395 2.094 10 1 GECF CC[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(OC)cccc1C3=O 5372311 IQFGMEVOAMVELQ-WSVYEEACSA-N 384.384 2.003 10 1 GECF biogenic CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)O 96928424 WESKVDNGTUXACE-XVNBXDOJSA-N 386.360 2.172 10 1 GECF O=C1C(=Cc2cccc(O)c2O)SC(=S)N1CCCN1CCOCC1 1857622462 YIFYXILBDUTHAX-UHFFFAOYSA-N 380.491 2.021 10 1 GECF COc1c(O)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1OC 15271756 YQCBMLNWGMLSHD-UHFFFAOYSA-N 376.317 2.308 10 1 GECF biogenic CC(C)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 103178907 YCCADPFEKHIJIQ-AMGQUURNSA-N 385.420 2.377 10 1 GECF CCn1c(=O)c(C(=O)NC)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 653840654 ALQJWUAKEBZSIJ-UHFFFAOYSA-N 380.433 2.290 10 1 GECF Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N=C3O)cc2)nc1 73224346 JNTGJGJJBIDVQG-UHFFFAOYSA-N 396.428 2.162 10 1 GECF