smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(CC2CCN(C(=O)c3nc4cc(O)c(O)cc4[nH]3)CC2)c1 36294478 ZHZMEKSMSNYUFP-UHFFFAOYSA-N 365.433 3.377 10 1 FGCF CN(C)c1ccc([C@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)cc1 2451586 MOVJHKVVQMKKHR-LJQANCHMSA-N 365.433 3.046 10 1 FGCF CCOC(=O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1ccc(O)c(O)c1 49803124 JDNZQOKJLJXIEX-ONNFQVAWSA-N 366.373 3.232 10 1 FGCF O=C(O)CCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 26150000 ZDQMELIDKJYUHI-UHFFFAOYSA-N 359.422 3.282 10 1 FGCF Oc1ccc2c(c1O)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 13601139 BZDPDYIYXGQXRR-UHFFFAOYSA-N 362.882 3.227 10 1 FGCF COc1ccc(C/N=N/c2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 169689676 ACIFRNXITGOKDN-HIXSDJFHSA-N 367.457 3.365 10 1 FGCF NC[C@@H]1O[C@@H](c2ccc(Br)cc2)Cc2c1ccc(O)c2O 26570699 LDLAWZLGWDENOK-CABCVRRESA-N 350.212 3.174 10 1 FGCF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@@H]4[C@@H]3CC[C@@H]12 169369898 VYFIQXXVEPQANM-JCYWAPSSSA-N 357.498 3.336 10 1 FGCF Oc1nc(O)c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587078381 OYDGMIUOFXGIRO-SBMIAAHKSA-N 355.785 3.244 10 1 FGCF O=C1C=CC[C@@H](/C=C/c2ccccc2)N1C(=O)CCc1ccc(O)c(O)c1 299837884 SLPNRXQIGPBIGF-PEKVBPLLSA-N 363.413 3.428 10 1 FGCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3cccs3)cc(O)c21 1857601408 PWXNFFUTZQUGTF-INIZCTEOSA-N 352.367 3.016 10 1 FGCF NC(=S)N=Nc1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12 253981811 ZMSPWVPXMXCSNS-OAHLLOKOSA-N 352.375 3.392 10 1 FGCF [N-]=[N+]=NC[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224466 CKXIOHUFJGAAFO-QUCCMNQESA-N 359.389 3.388 10 1 FGCF COc1ccc(C[C@H]2CCC(=O)[C@@H]2Cc2ccc(O)c(O)c2)cc1OC 6484666 PFLZCIVRHONVAM-HZPDHXFCSA-N 356.418 3.496 10 1 FGCF Nc1ccc2cccc(O[C@H]3CCN(c4ccc5c(c4)OCCO5)C3)c2n1 28390083 BBYRQKZFHKDPAA-INIZCTEOSA-N 363.417 3.246 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@@H]4[C@@H]3CC[C@@H]12 169369897 VYFIQXXVEPQANM-VMAJUSJQSA-N 357.498 3.336 10 1 FGCF COc1ccc(N2CCN(CCCc3ccc4nc[nH]c4c3)CC2)cc1 38307099 JYCFLQWDTDVREM-UHFFFAOYSA-N 350.466 3.326 10 1 FGCF CC1(C)OC(=O)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586910325 OMTKVHQKFGXVQI-ZDUSSCGKSA-N 360.369 3.147 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(O)c2)N1 587822346 NEAJEUUOGYKQOG-NZFNHWASSA-N 368.202 3.329 10 1 FGCF N[C@@H](c1ccsc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587025956 JJBSIRATSVNGAG-INIZCTEOSA-N 359.410 3.448 10 1 FGCF CCCOC(=O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29554591 UEWLMZBRXDSRDP-UHFFFAOYSA-N 374.525 3.470 10 1 FGCF CN1C[C@H](C(=O)NC2CCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 27726833 BEEJKJDTTBRPFU-XFQXTVEOSA-N 351.494 3.197 10 1 FGCF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1C)[C@@H](C2)C3=O 587444825 QNPUTBVRMADVAA-AVRDEDQJSA-N 365.429 3.329 10 1 FGCF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)cc1OC 14727146 DJGIRFSHDONNME-AFHBHXEDSA-N 358.390 3.190 10 1 FGCF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccc(N(C)C)cc1 82204258 COEKGGBZUOFUBP-HZPDHXFCSA-N 355.486 3.077 10 1 FGCF Cn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 299813109 UERIJUJOIQKQFP-MMZJRVCTSA-N 362.389 3.324 10 1 FGCF CC(=O)[C@@H]1[C@H](C)OC[C@@H]2[C@@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356351864 HDWJJWIIAAZFAK-IHTHKWLKSA-N 352.478 3.336 10 1 FGCF C[C@@H](C(=O)/N=N/c1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 101694791 LHOXSRALUUOLKB-WQSHTFOESA-N 361.361 3.455 10 1 FGCF CC(C)n1c(O)c(N=NC(=O)CNC(=O)c2cccnc2)c2ccccc21 253915984 NTTQKOHIJWILBY-UHFFFAOYSA-N 365.393 3.363 10 1 FGCF Cc1[nH]nc(O)c1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 43366139 IPISUCPBXWTYBD-WUKNDPDISA-N 364.412 3.096 10 1 FGCF Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2 145081291 LMZGMLCWYMKZIR-UHFFFAOYSA-N 354.385 3.107 10 1 FGCF Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1 209442379 USKPESBECQCDFE-WBVHZDCISA-N 362.433 3.037 10 1 FGCF O=C(NCCc1ccc(Cl)cc1)N1CCCc2cc(O)c(O)cc2C1 29404345 YTAODGIQIIBSNP-UHFFFAOYSA-N 360.841 3.452 10 1 FGCF COCCn1c2c(n3ccnc3c1=O)Cc1c(-c3ccccc3)cccc1-2 299856185 CHUJOVPYWNOLKB-UHFFFAOYSA-N 357.413 3.381 10 1 FGCF CN(C)c1ccc([C@@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)cc1 2451587 MOVJHKVVQMKKHR-IBGZPJMESA-N 365.433 3.046 10 1 FGCF O=C([C@H]1Cc2ccccc2[C@@H](c2c(F)ccc(F)c2O)N1)C(F)(F)F 962728373 DWZCEFVUVUGVBD-OCCSQVGLSA-N 357.278 3.406 10 1 FGCF Oc1ccc2ccccc2c1CN1CC[C@@H](N2CCCCCC2)[C@H](O)C1 12454902 AELWJMUORLIVMN-IFMALSPDSA-N 354.494 3.357 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(O)c2O)N1 587824219 YYALZJJNUXJREX-NXSYQRQQSA-N 368.202 3.329 10 1 FGCF O=C1c2ccccc2C(=O)c2c(NC(=O)C3CC3)ccc(NC(=O)C3CC3)c21 6005524 XQGIQRRAXOJYFS-UHFFFAOYSA-N 374.396 3.159 10 1 FGCF O=C(O)C=Cc1cc(O)c2oc(-c3ccc(O)c(O)c3)c(C(=O)O)c2c1 2356692606 DXGDWGCYKJCUHN-UHFFFAOYSA-N 356.286 3.013 10 1 FGCF O=C(O)c1ccc2cc(O)c3c(c2c1)C(=O)c1ccc(Cl)c(O)c1C3=O 3788509 ZOIHYCHOLQTHQQ-UHFFFAOYSA-N 368.728 3.378 10 1 FGCF biogenic O=C1N=C(NCCc2ccccn2)S/C1=C\c1ccc2ncccc2c1 28821275 CVMMOMQBQMKTKV-AQTBWJFISA-N 360.442 3.432 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)CO[C@H](c4c3n(C)c3ccccc43)[C@H]21 2356551680 NYKBMPZVJCLGAM-RPOJGZRZSA-N 364.445 3.114 10 1 FGCF CN(CCO)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587192830 FYPDXJPVPSBUOY-UHFFFAOYSA-N 362.227 3.127 10 1 FGCF COc1cc([N+](=O)[O-])ccc1/N=N/c1c(N)[nH]n(-c2ccccc2)c1=O 169325463 VOPQYGRBHXFGDR-VHEBQXMUSA-N 354.326 3.080 10 1 FGCF COc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc(O)c1O 587785607 OEWJSFBTZUDWMP-DJWKRKHSSA-N 362.183 3.311 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(=N)[nH]cc3[nH]1)[C@H]1CC=C[C@H]21 587276885 OOFWLWSFSXADSS-PZROIBLQSA-N 362.393 3.414 10 1 FGCF COCCN1CCC(CN(Cc2ccncc2)Cc2ccccc2O)CC1 12319481 DEKXYONUDJSIKD-UHFFFAOYSA-N 369.509 3.148 10 1 FGCF CC(=O)O[C@H]1[C@H]2[C@@H](C)OC[C@H]3[C@H]2C[C@H]2c4c(c5ccccc5n4C)C[C@H]3N21 2356336478 NIVGFWXFJATDQP-HBTRLYRUSA-N 366.461 3.020 10 1 FGCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(F)cc1)CCC2 29131837 XYYQGAJAAGVJCV-UHFFFAOYSA-N 360.454 3.102 10 1 FGCF CN[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 105390313 RCODLXKABFVUOP-HEFCWWFNSA-N 359.466 3.485 10 1 FGCF biogenic CCCc1c(O)ccc2c1O[C@](C)(C(=[N+]=[N-])P(=O)(OC)OC)CC2=O 587484979 IIUCLVVXXJIAFW-INIZCTEOSA-N 368.326 3.183 10 1 FGCF CC(=O)c1ccc(N2CCN(Cc3cc(C(C)=O)ccc3O)CC2)cc1 66074090 JSYRFQDCWGVFEV-UHFFFAOYSA-N 352.434 3.120 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(O)c1 587613590 ZXULMRVIIPMFSP-OXQOHEQNSA-N 366.325 3.212 10 1 FGCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc(-c3cccnc3)ccc2O)N1 962909294 WTMKQPVBXXGVED-ICSRJNTNSA-N 364.376 3.282 10 1 FGCF CCN(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 1772606014 KANBVOHPHYYZFU-CSKARUKUSA-N 355.394 3.233 10 1 FGCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533874 XQAGBRVZTJFRSS-QGZVFWFLSA-N 364.338 3.404 10 1 FGCF CCc1ccc(O)c([C@]2(CCC(=O)O)NCCc3c2c(C(C)C)nn3C)c1 962913095 BHPWNBKQSNGODB-NRFANRHFSA-N 371.481 3.066 10 1 FGCF CCOc1ccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)c1C 963037966 ZBSJUIULYDEYRH-JLCFBVMHSA-N 366.461 3.416 10 1 FGCF COc1cc2c(cc1OC)C[N+]1([O-])CCc3ccc(OC)c(O)c3[C@@H]1C2 13383908 NALMCDFSZHXDEY-ZDGMYTEDSA-N 357.406 3.086 10 1 FGCF COc1cc2oc(-c3ccc(O)c(O)c3)c(C)c(=O)c2c(OC)c1OC 13822653 YEBUQFBWQMJVTA-UHFFFAOYSA-N 358.346 3.205 10 1 FGCF Cn1c(O)c(/N=N/C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 101812535 GSXPDBXOAVCZQQ-FMQUCBEESA-N 351.288 3.410 10 1 FGCF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCC3)sc21 299835409 VLSPCUOVFAJAMD-UHFFFAOYSA-N 366.398 3.083 10 1 FGCF O=C(O)[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@@H]2C=CC[C@@H]12 195353364 UFZHQEXDMZQDGA-JCKWVBRZSA-N 355.415 3.058 10 1 FGCF CCn1c(/C=C/C=C2\SCCN2C)[n+](CC)c2nc3ccccc3nc21 13822045 BNQDDEHPAOJHLN-UHFFFAOYSA-N 366.514 3.445 10 1 FGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccc(O)cc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356702541 IVPXAGQSLDZJKE-ZSFPCNDZSA-N 352.434 3.093 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)ncnc3[nH]1)[C@H]1CC=C[C@H]21 587277285 SDJOJNIRUNLGMZ-MJVIPROJSA-N 364.365 3.102 10 1 FGCF Cc1c(O)ccc2c1[C@H](c1ccc(N(C)C)cc1Cl)N[C@H](C(=O)O)C2 963486975 AMZGXTPUBQHDJQ-YJBOKZPZSA-N 360.841 3.108 10 1 FGCF COc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 25970432 QWPCPTJLLXUWLI-UHFFFAOYSA-N 365.433 3.148 10 1 FGCF COc1ccc(Cl)c2c1CCN[C@]2(c1cnoc1)c1ccccc1O 963257147 IFDBHMMGJWCQIS-LJQANCHMSA-N 356.809 3.480 10 1 FGCF C[C@]1(c2ccc(F)cc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969498 FOZFVLOSAMUHFH-YVEFUNNKSA-N 371.742 3.325 10 1 FGCF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccc(N(C)C)cc1 82204256 COEKGGBZUOFUBP-IYBDPMFKSA-N 355.486 3.077 10 1 FGCF NC[C@@H]1O[C@H](c2ccc(Br)cc2)Cc2c1ccc(O)c2O 13823797 LDLAWZLGWDENOK-GJZGRUSLSA-N 350.212 3.174 10 1 FGCF O=C(c1nc2cc(O)c(O)cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 36294476 YNLLMIQTRYSAKL-UHFFFAOYSA-N 369.396 3.208 10 1 FGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1O 587610645 QZBLZEVGGMEESC-MGPUTAFESA-N 366.325 3.212 10 1 FGCF COc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 40406043 RNHWGLKUBJKYDH-XYOKQWHBSA-N 363.200 3.463 10 1 FGCF CCN(CC)Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 95562982 NTWNXAMFMHTPEG-UHFFFAOYSA-N 371.389 3.124 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(O)c2O)N1 587824221 YYALZJJNUXJREX-UOWDBTKRSA-N 368.202 3.329 10 1 FGCF CCCN(CCCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857589159 YBQDTFTUENERQZ-CQSZACIVSA-N 361.511 3.169 10 1 FGCF COc1cccc([C@@H]2N[C@@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O 13142242 LWFFAIDGWKLELR-GWIYSAMLSA-N 371.433 3.342 10 1 FGCF Cn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 101789059 UERIJUJOIQKQFP-XOXGPBAVSA-N 362.389 3.324 10 1 FGCF O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12 5955729 VWWYFEVGXLCSTR-UHFFFAOYSA-N 366.421 3.430 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(O)c2O)N1 587824217 YYALZJJNUXJREX-JKYUHCHBSA-N 368.202 3.329 10 1 FGCF COc1c(O)c(C)c(O)c2c1C(=O)c1c(O)cc3ccccc3c1C2=O 85551406 VMQWIVBAXPKNQE-UHFFFAOYSA-N 350.326 3.049 10 1 FGCF biogenic CN[C@@H](c1cccnc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587224156 FYZULZNGYXOHSX-SFHVURJKSA-N 368.396 3.042 10 1 FGCF CN(C)c1ccc([C@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 103074520 XHRBBRGHUDAABO-MRXNPFEDSA-N 361.401 3.043 10 1 FGCF CCC(CC)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 27194681 XFGIPCHAIAMLSY-FOIQADDNSA-N 351.494 3.353 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc[nH]c(=N)c3[nH]1)[C@H]1CC=C[C@H]21 587276868 OIEYVLIXYCBCIX-MKBNYLNASA-N 362.393 3.414 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)cc2O)N1 587824017 YCHBBSJANUUIFM-VGDKGRGNSA-N 368.202 3.329 10 1 FGCF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587274750 LHHKBDRJSSARCU-UHFFFAOYSA-N 350.338 3.246 10 1 FGCF Cc1cc2c(n1-c1ccc(C(=O)N3CCN(C)CC3)cc1)CC[C@H](C)C2 6878010 IWNKEKSIPXVAMP-INIZCTEOSA-N 351.494 3.298 10 1 FGCF C[C@H](CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)CC(=O)O 587963146 OTXQVIWBXBAWLI-LLVKDONJSA-N 362.385 3.382 10 1 FGCF CCOC(=O)[C@H]1CS[C@@H](c2cc(-c3cccs3)cc(OC)c2O)N1 116439250 YUSMELUUIBRUJZ-WBMJQRKESA-N 365.476 3.396 10 1 FGCF CN(C)CCCCN1CCc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 13743896 KEVIJPFNAZWWIS-HXUWFJFHSA-N 354.494 3.430 10 1 FGCF O=[N+]([O-])c1ccccc1/N=N/c1c(O)[nH]c2ccc(S(=O)(=O)O)cc12 103939530 ZJSOBJXQXMFSSR-WUKNDPDISA-N 362.323 3.444 10 1 FGCF O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc(N2CCNCC2)cc1 299860825 HGBMRCSIDFTPKW-NBVRZTHBSA-N 364.474 3.179 10 1 FGCF Cc1cc(C=O)c(C)n1-c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587556507 XGTWONRZOOJERV-UHFFFAOYSA-N 360.373 3.323 10 1 FGCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3cccs3)cc(O)c21 1857601409 PWXNFFUTZQUGTF-MRXNPFEDSA-N 352.367 3.016 10 1 FGCF COc1ccc(OC)c([C@@H](O)[C@H](C)NCc2cc(Cl)ccc2O)c1 45191167 XVLOPOLQURRPGC-VOJFVSQTSA-N 351.830 3.275 10 1 FGCF CC[C@]1(N=[N+]=[N-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 43443358 BHGJMTMLLMWADM-HXUWFJFHSA-N 373.372 3.398 10 1 FGCF CN1[C@H]2C[C@@H]3[C@H](CO[C@]4(C)OC(=O)C[C@H]34)[C@H]1Cc1c2n(C)c2ccccc12 2356522441 HIJSJXVEJVBFFC-ABOPSVTQSA-N 366.461 3.022 10 1 FGCF CCN(CC)CCOc1ccc2c(c1)O[C@@H]1C(=O)c3ccccc3C(=O)[C@@H]21 84462568 HRGYVYLNOUCSJW-KNQAVFIVSA-N 365.429 3.331 10 1 FGCF CCOC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653712991 AYQJWOXWPQGAJW-UHFFFAOYSA-N 365.204 3.463 10 1 FGCF COc1ccc(N2CC[C@@]3(C2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587435309 FHJQCIKJPJYIFI-UTKZUKDTSA-N 351.402 3.100 10 1 FGCF [N-]=[N+]=N[C@@H]1C[C@@H](O)CC2(SCCS2)[C@H]1OC(=O)c1ccccc1 13558378 NLROKIMPQVETSA-UPJWGTAASA-N 351.453 3.222 10 1 FGCF CC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1ncccc1C2=O 40860683 RVJBMHFBVYYLNN-UHFFFAOYSA-N 369.174 3.075 10 1 FGCF CC(C)n1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21 101800916 NTTQKOHIJWILBY-GHVJWSGMSA-N 365.393 3.363 10 1 FGCF NCc1cc(Cc2cc3c(c(Cl)c2Cl)O[C@H](CO)C3)ccc1O 27656253 DZQQNRPSVYQNSL-ZDUSSCGKSA-N 354.233 3.044 10 1 FGCF COc1cc2c(cc1OC)N(C)[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O 95555527 FOKWIQLWBZUQGV-FQEVSTJZSA-N 363.417 3.332 10 1 FGCF CC(C)=CCc1c(-c2oc3cc(O)c(O)cc3c(=O)c2O)ccc(O)c1O 14648331 NACBYUYHTLUWAI-UHFFFAOYSA-N 370.357 3.497 10 1 FGCF endogenous,in-man COc1cc(C=CC(=O)OCCCc2cc(O)c(O)c(OC)c2)ccc1O 2356446200 ATCFJKWWRHDBNY-UHFFFAOYSA-N 374.389 3.010 10 1 FGCF CC(C)(C)OC(=O)N1[C@H](c2cc(Cl)ccc2O)SC[C@H]1C(=O)O 45285760 MGHBKGKQOPBRSS-JQWIXIFHSA-N 359.831 3.481 10 1 FGCF CN1CCc2cnn(C)c2[C@]1(C)c1ccc(OCc2ccccc2)cc1O 963956385 XUSHFWCTGYUGOR-QFIPXVFZSA-N 363.461 3.456 10 1 FGCF CCOC(=O)C=Cc1ccc2c(c1)OC(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356414853 SOJCXOOLLHIOQT-QGZVFWFLSA-N 370.357 3.103 10 1 FGCF CCOc1ccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)c1C 963037965 ZBSJUIULYDEYRH-FPTDNZKUSA-N 366.461 3.416 10 1 FGCF c1ccc(N2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1 1857550816 CONSRYNRXXWVSF-UHFFFAOYSA-N 374.532 3.499 10 1 FGCF COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2C 66077366 RKMYUYQIMRIBDL-INIZCTEOSA-N 351.410 3.274 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc[nH]c(=N)c3[nH]1)[C@H]1CC=C[C@@H]21 587276870 OIEYVLIXYCBCIX-WQGACYEGSA-N 362.393 3.414 10 1 FGCF CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(O)c1 13118318 WSDHPUOHJBWIOH-WOJGMQOQSA-N 365.458 3.009 10 1 FGCF O=c1oc2cc(C=Cc3ccc(O)cc3)oc(=O)c2c2cc(O)c(O)cc12 2356430732 PHNDPMPVQSECSJ-UHFFFAOYSA-N 364.309 3.187 10 1 FGCF O=c1nc(CSC(=S)NCc2ccc(F)cc2)[nH]c2ccccc12 209479733 IAFYBOOZAGZYRE-UHFFFAOYSA-N 359.451 3.370 10 1 FGCF Cc1c(O)ccc2c1[C@H](c1ccc(OCC(C)C)cc1O)N[C@H](C(=O)O)C2 963506995 GWVQNQFHMCDHOH-JXFKEZNVSA-N 371.433 3.129 10 1 FGCF CN[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 5649043 RCODLXKABFVUOP-XXLATIFVSA-N 359.466 3.485 10 1 FGCF CCOC(=O)Cc1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587786798 XLJLMLYOGKSYLD-FNORWQNLSA-N 368.389 3.259 10 1 FGCF COc1ccc(/C=C2\SC(Nc3ccccc3OC)=NC2=O)c(O)c1 95755400 VOUNUJKHZCGGRA-SXGWCWSVSA-N 356.403 3.492 10 1 FGCF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(O)c1O 587785263 JVCFUAFOCAWLEL-DUXPYHPUSA-N 351.362 3.038 10 1 FGCF Oc1cc(O)c2c(c1)C[C@H]1c3cc(O)c(O)cc3[C@H]2c2c(O)cc(O)cc21 2356346924 DTDMMBJTUPNCEV-WIUDPPPLSA-N 364.353 3.102 10 1 FGCF COc1cc(C[C@@H](O)c2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OC 1857646356 CFZUEDBFWBOHJE-GOSISDBHSA-N 372.421 3.488 10 1 FGCF [N-]=[N+]=NC[C@@H]1OC[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 105527486 IXUXOCVYBHXBOU-HAGHYFMRSA-N 369.421 3.227 10 1 FGCF C[N+]1(C)CCc2cc3c(cc2C(=O)CCc2cc4c(cc21)OCO4)OCO3 238733209 RTBVENHKKVUFTR-UHFFFAOYSA-N 368.409 3.083 10 1 FGCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)CCO4)C2)cc1 1772611479 ZRUIKWYDZPTKIP-YCRPNKLZSA-N 366.461 3.476 10 1 FGCF CN1[C@H]2C[C@@H]3[C@H](CO[C@@]4(C)OC(=O)C[C@@H]34)[C@H]1Cc1c2n(C)c2ccccc12 2356522442 HIJSJXVEJVBFFC-ALJVXQLNSA-N 366.461 3.022 10 1 FGCF O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(O)c(O)c1 473248924 QZTIBQFCURWXAA-UHFFFAOYSA-N 362.234 3.024 10 1 FGCF CC(=O)N1CCN(c2ccc([C@H]3NCCc4ccc(F)c(C)c43)cc2)CC1 962375691 OQKVBIFFIAZIOR-JOCHJYFZSA-N 367.468 3.038 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)cc2O)N1 587824337 ZSLRJWFGOOYJKB-QZTNRIJFSA-N 368.202 3.329 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@H](C(=O)OC)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356485955 ZGOAABQSDQXUOB-FCDRMGDPSA-N 366.461 3.224 10 1 FGCF COc1ccc(N2NC(=O)/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1 40973238 HVNVHHLLVFFHNN-UKTHLTGXSA-N 363.200 3.463 10 1 FGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccc(O)c2)cc1 1911579976 RQWBTLWCHQVQLY-UHFFFAOYSA-N 367.364 3.415 10 1 FGCF COc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc(O)c1O 587784996 GRPLYUYRSWQCTP-NSCUHMNNSA-N 362.183 3.311 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(O)c2)N1 587823822 WLHLFXUFMCSNRI-NZFNHWASSA-N 368.202 3.329 10 1 FGCF Cc1nc2nc(-c3ccc(N(C)CCO)cc3)[nH]c2cc1Br 587192860 HBCIRORYZZKTAL-UHFFFAOYSA-N 361.243 3.124 10 1 FGCF O=c1[nH][nH]c(=O)n1-c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26941261 JNGCJADVLPPNTR-UHFFFAOYSA-N 369.384 3.299 10 1 FGCF COc1cc2cc([C@H](C)c3ccc(O)c(O)c3)c(=O)oc2c(OC)c1O 238777300 RNXIAHOWNKLVFY-SECBINFHSA-N 358.346 3.079 10 1 FGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccc(OC)cc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356670958 JNZLOSHKINQZJQ-IHMNZUQTSA-N 366.461 3.396 10 1 FGCF CC(C)(C)c1cc(/C=C2\SC(NC(=N)N)=NC2=O)cc(C(C)(C)C)c1O 13734178 HFGVQPHQMVEBSM-LCYFTJDESA-N 374.510 3.441 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(O)c2O)N1 587820998 GGCQPALSFWQDTL-UOWDBTKRSA-N 368.202 3.329 10 1 FGCF C[C@@]12CCC[C@@H](O1)c1cc3c(cc1O2)C(=O)c1cc(O)cc(O)c1C3=O 238742375 BYTPBBMKRIMKII-FOIQADDNSA-N 352.342 3.223 10 1 FGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccc(OC)cc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356670957 JNZLOSHKINQZJQ-CAUGKJMWSA-N 366.461 3.396 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnnc(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277298 SLRAZIACJIHRPL-HFAKWTLXSA-N 364.365 3.102 10 1 FGCF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2O)NC(=O)N1 45301038 KRIIDFFNVZWTNQ-MRXNPFEDSA-N 357.797 3.312 10 1 FGCF O=c1nc(CSC(=S)NCc2ccccc2F)[nH]c2ccccc12 209479778 IFORLGWLOJOPNR-UHFFFAOYSA-N 359.451 3.370 10 1 FGCF CCO[P@]1(=O)C(SC)=NN(CC)C12C(=O)c1ccccc1C2=O 40917087 NHIGJZRXRKFLQJ-JOCHJYFZSA-N 352.352 3.046 10 1 FGCF CCCN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1ccc(N(C)C)cc1 4669071 LZWFGSVNGVRVQR-FQEVSTJZSA-N 357.498 3.207 10 1 FGCF CN(C)c1ccc(/C=C/c2cc(=[N+]3CCOCC3)c3ccccc3n2C)cc1 1772601700 SLLXFOUALDGLPY-UHFFFAOYSA-N 374.508 3.217 10 1 FGCF COc1cc(C(C)=O)cc(CNc2cc(C(C)=O)cc(OC)c2O)c1O 72174420 RDUDWYYAGDXHRB-UHFFFAOYSA-N 359.378 3.132 10 1 FGCF CN(C)c1ccc2c(c1)NC(=O)[C@]21NCCc2c(Cl)cc(Cl)cc21 963117069 CGZAXZVQQRORQE-SFHVURJKSA-N 362.260 3.401 10 1 FGCF COc1ccc(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587435167 DCRJILWSPHWHQG-GOSISDBHSA-N 365.429 3.490 10 1 FGCF CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccc(N(C)C)nc2c1O 38142072 XLPCONLTMNUBOK-INIZCTEOSA-N 359.813 3.478 10 1 FGCF C[C@@]1(c2c(O)cccc2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764302 LHIOZORWAALWHE-SUMWQHHRSA-N 353.315 3.441 10 1 FGCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCCC3)c(O)cc(O)c12 72126150 CEPLOKHNYMITOR-UHFFFAOYSA-N 353.374 3.173 10 1 FGCF COc1cc(C)cc2c1CO[C@]21c2ccc(O)c(O)c2C[C@@H]1C(C)(C)O 2356798935 SZYDSVWDDZQORC-WIYYLYMNSA-N 356.418 3.132 10 1 FGCF O=C(O)[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@@H]2C=CC[C@H]12 169294359 UFZHQEXDMZQDGA-DHSIGJKJSA-N 355.415 3.058 10 1 FGCF CNC[C@@]1(c2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587514196 VXILRTKCMOFWNA-OAQYLSRUSA-N 353.418 3.057 10 1 FGCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccc(F)c2O)N1 962956925 LRQYJIJIMHUCDF-SMDDNHRTSA-N 357.715 3.151 10 1 FGCF COc1cc2cc([C@@H](C)c3ccc(O)c(O)c3)c(=O)oc2c(OC)c1O 2356390142 RNXIAHOWNKLVFY-VIFPVBQESA-N 358.346 3.079 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 14648164 SOSNZGAHBIGOGO-RBUKOAKNSA-N 358.390 3.055 10 1 FGCF biogenic COc1cc(C)cc2c1CO[C@@]21c2ccc(O)c(O)c2C[C@@H]1C(C)(C)O 2356798933 SZYDSVWDDZQORC-NQIIRXRSSA-N 356.418 3.132 10 1 FGCF CCOc1ccc(N2CC[C@]3(C2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587439882 XDBNAIVTLWHIDW-XMSQKQJNSA-N 365.429 3.490 10 1 FGCF Cc1ccc(C(=O)OCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27723486 NSVXVUGAGGSSJH-YWZLYKJASA-N 373.449 3.055 10 1 FGCF Cc1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 71329856 AJWJBCGSYNUAGP-UHFFFAOYSA-N 355.353 3.211 10 1 FGCF CC(=O)O[C@@H]1[C@H]2[C@H](C)OC[C@H]3[C@H]2C[C@H]2c4c(c5ccccc5n4C)C[C@H]3N21 2356336479 NIVGFWXFJATDQP-IPJHNHFISA-N 366.461 3.020 10 1 FGCF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1cc(O)c(O)cc1O 169316808 UNZWYBHRZKQSRL-XJDIIYGHSA-N 369.461 3.276 10 1 FGCF COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27848200 XHPGCXPFGVXBDM-UHFFFAOYSA-N 374.444 3.236 10 1 FGCF COCCC=Cc1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 2356505848 ROZARGMLPGUFLC-WOJBJXKFSA-N 358.390 3.021 10 1 FGCF COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(CC=C(C)C)c(O)c1C2=O 69482539 JQJKOHAQEAORRU-UHFFFAOYSA-N 368.385 3.399 10 1 FGCF biogenic,in-vitro CCOc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1O 963233047 SXJRQHAAMMODTO-IEBWSBKVSA-N 364.401 3.027 10 1 FGCF CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 1857749783 UETLZTFBKJSNHG-UHFFFAOYSA-N 351.450 3.091 10 1 FGCF COc1cc(C(=O)[C@H](O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 29565813 AVTXFDNFMRZJCC-VGMNTSGFSA-N 371.433 3.035 10 1 FGCF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1O)[C@@H](C2)C3=O 587430444 FRBYFFVMLGIXTH-YWZLYKJASA-N 362.385 3.384 10 1 FGCF COc1cc2cc3c(c(-c4cc(O)c(O)c(OC)c4)c2cc1O)C(=O)OC3 14640922 GUNKEYFDGVBDJS-UHFFFAOYSA-N 368.341 3.311 10 1 FGCF biogenic COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)cc1 95576148 MYJQZBNYMUUXQI-FQEVSTJZSA-N 369.465 3.044 10 1 FGCF Cn1cc(C2=C(c3cc4ccccc4n3C)C(=O)NC2=O)c2ccccc21 13447700 MYVWPFIWWMGBTO-UHFFFAOYSA-N 355.397 3.237 10 1 FGCF Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCCC2 144881788 XZDITQKBHNRUDE-UHFFFAOYSA-N 368.412 3.498 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(CC(N)=O)c3ccccc13)O2 587388983 CQCILLBIVKFRAM-SFHVURJKSA-N 363.417 3.032 10 1 FGCF O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 1911585077 ZFOSHDCAWMHBGY-ZSOIEALJSA-N 356.428 3.181 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(=N)[nH]cc3[nH]1)[C@@H]1CC=C[C@H]21 587276884 OOFWLWSFSXADSS-IUUKEHGRSA-N 362.393 3.414 10 1 FGCF CC1(C)C=Cc2c(cc(O)c3c2OC[C@H](c2ccc(O)c(O)c2)C3=O)O1 238753461 DTQQADBACAMCDE-GFCCVEGCSA-N 354.358 3.347 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCN=[N+]=[N-])c2ccccc21 587390924 SKJNSRIZZCAICM-LJQANCHMSA-N 363.377 3.095 10 1 FGCF CC(C)=CCc1c(Cl)ccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12 169717688 PGLCGYVZOIARCK-UHFFFAOYSA-N 357.793 3.094 10 1 FGCF O=Cc1c(Br)c(O)c(O)c(Br)c1Br 14769534 KZJVMYOEIYAKSP-UHFFFAOYSA-N 374.810 3.198 10 1 FGCF biogenic O=C1C[C@](Cc2ccc(O)c(O)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587534050 VDQKIZXLWIUZDZ-OAQYLSRUSA-N 368.385 3.008 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)C=[N+]=[N-])[C@H]3CC[C@H]12 26384304 VYFIQXXVEPQANM-JQPKLUAISA-N 357.498 3.336 10 1 FGCF CN1C(=O)C(=CNc2ccc3cc4ccccc4cc3c2)C(=O)N(C)C1=O 1857628453 VOYCCUQFDWSTCU-UHFFFAOYSA-N 359.385 3.339 10 1 FGCF [N-]=[N+]=NC[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224467 CKXIOHUFJGAAFO-UYAOXDASSA-N 359.389 3.388 10 1 FGCF NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc4ncccc4c23)cc1 618008656 SATYAAMYSAXMTG-UHFFFAOYSA-N 367.390 3.485 10 1 FGCF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c([C@H]3CCCCN3)c(O)c21 1772626884 RQNJYLAXYNNQTG-CZUORRHYSA-N 355.390 3.325 10 1 FGCF O=C1NC(=S)S/C1=C\c1cc2cc3c(cc2nc1Cl)OCO3 169350386 SHNSYXSEOHQMBW-JYOAFUTRSA-N 350.808 3.106 10 1 FGCF CO[C@]12C=C(c3ccc(O)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O 96934678 XQMYAZMXKADSPO-PGRDOPGGSA-N 357.365 3.418 10 1 FGCF Cc1c(CC(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 13643745 WJRHOGLBMOCHHB-UHFFFAOYSA-N 369.442 3.483 10 1 FGCF CC(C)CC(=O)NN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1772618931 OFZXPAXAILJVJO-UVTDQMKNSA-N 363.508 3.031 10 1 FGCF NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1 5538228 AGBVAHJRHMWVAS-UHFFFAOYSA-N 364.430 3.474 10 1 FGCF CN1CCCC[C@H]1c1c(O)cc2oc(C3=CC[C@H](O)C=C3)cc(=O)c2c1O 2356329419 DRAZRISCPQMUES-KGLIPLIRSA-N 369.417 3.065 10 1 FGCF S=C(NCc1cccnc1)SCCc1noc(-c2ccccc2)n1 653709065 VEVZASKKVDVJND-UHFFFAOYSA-N 356.476 3.482 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(O)cc2O)N1 587823950 XTSZYZCJFGAVCL-HYORBCNSSA-N 368.202 3.329 10 1 FGCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc(-c3cccnc3)ccc2O)N1 962909292 WTMKQPVBXXGVED-AZUAARDMSA-N 364.376 3.282 10 1 FGCF O=C1c2ccccc2C(=O)c2c(O)cc(OCCCN3CCCC3)cc21 72180237 GABLJNFHBYTEHQ-UHFFFAOYSA-N 351.402 3.032 10 1 FGCF CN(C)c1ccc(CNC(=O)[C@@]2(C)C=C[C@@H](Cc3ccccc3)N2C)cc1 36384865 VIATVYBFMKBMPA-JTHBVZDNSA-N 363.505 3.240 10 1 FGCF CCN(CC)c1ccc(CN2CCC3(CC[C@H](CNC(C)=O)O3)CC2)cc1 11790353 ZRUMJRSZZOTUFR-OAQYLSRUSA-N 373.541 3.183 10 1 FGCF Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(N3CCOCC3)cc2)C1 49034653 ILPIHUWWYWAQKP-QGZVFWFLSA-N 357.841 3.321 10 1 FGCF COc1ccc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(O)c2)cc1OC 238734435 DJGIRFSHDONNME-VPCNSNALSA-N 358.390 3.190 10 1 FGCF CN1CCN(C2=NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3)S2)CC1 96174734 YXYBOBQRFDHZRT-JYRVWZFOSA-N 356.278 3.211 10 1 FGCF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1C)[C@@H](C2)C3=O 587444826 QNPUTBVRMADVAA-PGRDOPGGSA-N 365.429 3.329 10 1 FGCF COc1cc(C(=O)C(=O)c2cnc3ccccc3c2)cc(OC)c1OC 29046960 KQEYYCPCFSFEDM-UHFFFAOYSA-N 351.358 3.326 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)cc1O 587612424 VGDHRIWZZZPEEG-XLIONFOSSA-N 366.325 3.212 10 1 FGCF Cc1nc2c(C(=O)N3CCCC3)cnn2c(O)c1Cc1ccc(Cl)cc1 20136935 PZYPBYGCFXVJMR-UHFFFAOYSA-N 370.840 3.224 10 1 FGCF CC(C)OC(=O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29557861 WUJPOUJLGKRFMH-UHFFFAOYSA-N 360.498 3.078 10 1 FGCF COc1ccc(N2CCN(c3cc(=O)c4cc(OC)ccc4o3)CC2)cc1 103067242 IXNHRHHUAANOLI-UHFFFAOYSA-N 366.417 3.137 10 1 FGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc(Cl)nc3)[nH]c21 587085913 NXLZPDQGEXZDQG-UHFFFAOYSA-N 360.760 3.449 10 1 FGCF Nc1ccc(Oc2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587267940 JDVHYIPEUYOHOB-UHFFFAOYSA-N 362.349 3.490 10 1 FGCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963643632 ZZUJSDVZMKVJPT-PRWKNARSSA-N 359.422 3.050 10 1 FGCF O=C(c1nc2cc(O)c(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 36294468 YYENVTJJGKTXJN-UHFFFAOYSA-N 351.406 3.069 10 1 FGCF COc1ccc2c(c1)cc(C(=O)NCCN(C)C)c1nc3ccccc3nc12 13586913 XOEHUIAXGBJGRO-UHFFFAOYSA-N 374.444 3.236 10 1 FGCF COc1cccc2c1C(=O)C(=O)c1c-2oc(=O)c2cc(C)cc(OC)c12 1659395 ZFVQJCPYZSPLKM-UHFFFAOYSA-N 350.326 3.165 10 1 FGCF CCCc1ccc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963526219 NUTWXMWMMMJNDG-KKSFZXQISA-N 355.434 3.221 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)CO[C@H](c4c3n(C)c3ccccc43)[C@H]21 2356551679 NYKBMPZVJCLGAM-QBHFOJNWSA-N 364.445 3.114 10 1 FGCF CC(C)(O)CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(O)c3OC[C@@H]21 31161235 JZAOILYZTLYIEL-UGSOOPFHSA-N 358.390 3.117 10 1 FGCF biogenic COc1cc([N+](=O)[O-])ccc1N=Nc1c(N)[nH]n(-c2ccccc2)c1=O 299849773 VOPQYGRBHXFGDR-UHFFFAOYSA-N 354.326 3.080 10 1 FGCF CCCN1C(=O)CN(C2CCCCC2)C(=O)[C@H]1c1ccc(N(C)C)cc1 4669070 LZWFGSVNGVRVQR-HXUWFJFHSA-N 357.498 3.207 10 1 FGCF C[C@]1(c2c(O)cccc2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764300 LHIOZORWAALWHE-DYVFJYSZSA-N 353.315 3.441 10 1 FGCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)cc(Cl)c2O)N1 963231943 SJDXZZDLINUDJW-IAGOWNOFSA-N 372.783 3.421 10 1 FGCF Cc1cc2c(cc1O)[C@@H](c1ccc(N3CCCC3)c(C)c1)N[C@H](C(=O)O)C2 963473984 UJJADZSJBZLWPU-GHTZIAJQSA-N 366.461 3.298 10 1 FGCF COc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc(O)c1O 587784858 DPDHASVJEPAZOX-NSCUHMNNSA-N 362.183 3.311 10 1 FGCF CCN(CC)CCOc1ccc2c(c1)O[C@H]1C(=O)c3ccccc3C(=O)[C@@H]21 26173836 HRGYVYLNOUCSJW-DENIHFKCSA-N 365.429 3.331 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1O)CC2=O 71295579 BPCXQZQCGCNZOS-INIZCTEOSA-N 372.373 3.430 10 1 FGCF CC[C@]12CCCN3CC[C@]4(c5ccc(O)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 14684247 HFWWOCILOBWUNN-MBPVOVBZSA-N 356.466 3.129 10 1 FGCF biogenic O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c(O)c(O)c(O)c12 40917458 ZFFYRARIZRJGOO-UHFFFAOYSA-N 353.374 3.173 10 1 FGCF CCN(CC)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O 1649604 OPVSYLBSDGXWKB-UHFFFAOYSA-N 359.429 3.290 10 1 FGCF CCOC(=O)[C@@H]1CS[C@H](c2cc(-c3cccs3)cc(OC)c2O)N1 116439242 YUSMELUUIBRUJZ-BLLLJJGKSA-N 365.476 3.396 10 1 FGCF COc1cc(OC)c2c(c1)C(=O)c1ccc(CCC(C)=O)c(C)c1C2=O 2356788309 CBBLIDPAOOSLGK-UHFFFAOYSA-N 352.386 3.309 10 1 FGCF Cc1ccc(NC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 1772641416 GDZGKMOSIQDJRH-UHFFFAOYSA-N 373.364 3.434 10 1 FGCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 13601131 ZYUUARRVHJHBRD-UHFFFAOYSA-N 362.882 3.227 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@H]3CC[C@@H]12 34801238 VYFIQXXVEPQANM-PNKLAQMFSA-N 357.498 3.336 10 1 FGCF N[C@H](Cc1cscn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587029111 HYFACZLWPMDAGJ-CQSZACIVSA-N 374.425 3.037 10 1 FGCF CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1/C=C/c1ccc(N(C)C)cc1 103219330 FNKSSKJPNFVJGD-CQTFCRGUSA-N 353.397 3.472 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1[nH]c3cc(O)nc(O)c3c1C)O2 587396600 MQOMYJKMWVCOON-IBGZPJMESA-N 353.378 3.054 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 586948935 NKHHGFFGSXBCKT-UHFFFAOYSA-N 355.778 3.100 10 1 FGCF O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1 200213249 OGKLTLLTAXOLDD-UHFFFAOYSA-N 369.442 3.286 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)C3CCCCC3)=NC2=O)o1 28816644 ZUVHLZNALWROQE-LTBFUDJGSA-N 362.451 3.435 10 1 FGCF Cc1cc(N2CCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822430 RMLDMCRTWNEELE-UHFFFAOYSA-N 353.374 3.485 10 1 FGCF COc1ccc(N2CCC(CNC[C@H]3COc4ccccc4O3)CC2)cc1 13799899 CAUVIHGEFYOEKK-FQEVSTJZSA-N 368.477 3.341 10 1 FGCF COc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(O)c1O 587785465 MFHGPESNWUZLMB-DAXSKMNVSA-N 369.421 3.094 10 1 FGCF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c([C@@H]3CCCCN3)c(O)c21 1772626885 RQNJYLAXYNNQTG-XJKSGUPXSA-N 355.390 3.325 10 1 FGCF O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3CCCCN3)c(O)c12 1772605383 AZGFJUJZKHHQCG-ZDUSSCGKSA-N 353.374 3.391 10 1 FGCF C[N+](C)(C)CCCOc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 27200339 KBTKFQDPQFKMCF-UHFFFAOYSA-O 370.425 3.346 10 1 FGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccncc2)cc1 1911581663 SFEYYEJJIHILII-UHFFFAOYSA-N 352.353 3.105 10 1 FGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)[C@H]1N2C 95554812 XYPIACFHOBWHQA-FQEVSTJZSA-N 363.417 3.332 10 1 FGCF O=C1C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21 169310022 ZWDDWFGODIIHBZ-UHFFFAOYSA-N 352.254 3.047 10 1 FGCF C[C@]1(c2c(O)cccc2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764301 LHIOZORWAALWHE-GUYCJALGSA-N 353.315 3.441 10 1 FGCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 95578428 MYJQZBNYMUUXQI-HXUWFJFHSA-N 369.465 3.044 10 1 FGCF Oc1ccc(C/N=N/c2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O 169686946 AGCWYRULQXNHKP-BSYVCWPDSA-N 368.441 3.372 10 1 FGCF Nc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 13778583 HYFYFRJEAWGYBG-UHFFFAOYSA-N 365.828 3.117 10 1 FGCF CC/C=C/c1c(C(=O)O)c(OC)cc2c1C(=O)c1c(O)cccc1C2=O 28825654 ZVEXOTDEBYJCKD-GQCTYLIASA-N 352.342 3.298 10 1 FGCF CC[C@@H]1CN2C[C@H]3c4c(n(C)c5cc(OC)ccc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356570989 BYRMZXJJASKUPM-MALJTKIDSA-N 368.477 3.476 10 1 FGCF CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NC(=S)N2)cc1 103165072 NAEMLOASGZHNBV-MRXNPFEDSA-N 354.435 3.469 10 1 FGCF O=C(O)[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@H]21 62241723 UFZHQEXDMZQDGA-DDUZABMNSA-N 355.415 3.058 10 1 FGCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCO)c4ccccc34)[C@H]21 1857628560 VGDKDFGMPCSASD-NRFANRHFSA-N 361.445 3.171 10 1 FGCF COc1ccc(N2CCC(CNC[C@@H]3COc4ccccc4O3)CC2)cc1 13799896 CAUVIHGEFYOEKK-HXUWFJFHSA-N 368.477 3.341 10 1 FGCF COc1cc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc(O)c1O 3960050 CLMLBXMNTZEJCB-GORDUTHDSA-N 353.330 3.229 10 1 FGCF in-vivo Cc1cc(Cl)cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586948539 IGQSHQNJXBKCJY-UHFFFAOYSA-N 351.815 3.269 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1C)O2 587400061 OQNXCAOEDGSPME-HXUWFJFHSA-N 352.434 3.429 10 1 FGCF COc1cc([C@@H](C)[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 28102156 POIDMGZPRKZICO-WYRIXSBYSA-N 359.422 3.114 10 1 FGCF Oc1cc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc(O)c1O 49051047 SQEIAQDYIHXRKN-UHFFFAOYSA-N 356.363 3.022 10 1 FGCF Cc1cc2c(n1-c1ccc(C(=O)N3CCN(C)CC3)cc1)CC[C@@H](C)C2 6878011 IWNKEKSIPXVAMP-MRXNPFEDSA-N 351.494 3.298 10 1 FGCF O=C(O)CCCc1nc2c(n1Cc1ccccc1)C(=O)c1ccccc1C2=O 1855964 YUPPFNMPLOTOGI-UHFFFAOYSA-N 374.396 3.114 10 1 FGCF CC[C@H]1CN2C[C@H]3c4c(n(C)c5cc(OC)ccc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356570990 BYRMZXJJASKUPM-NLAABPRRSA-N 368.477 3.476 10 1 FGCF COc1ccc(C(=O)C(=O)c2ccc(O)c(CC=C(C)C)c2O)c(O)c1 38619561 KAQKSYKCXCTGOG-UHFFFAOYSA-N 356.374 3.386 10 1 FGCF endogenous,in-man CN(C)c1ccc(/C=c2/c3ccccc3n3c2c2c([n+]3C)CCCC2)cc1 5597202 OZJIIJJBIWSVOR-UHFFFAOYSA-N 356.493 3.410 10 3 FGCF Cc1nc(C(F)(F)F)ccc1-c1n[nH]c2c1CN(c1cnccn1)CC2 20998297 OAHDRXHZKJVWFO-UHFFFAOYSA-N 360.343 3.152 10 1 FGCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCO)c4ccccc34)[C@@H]21 1857628561 VGDKDFGMPCSASD-OAQYLSRUSA-N 361.445 3.171 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc[nH]c(=N)c3[nH]1)[C@@H]1CC=C[C@H]21 587276869 OIEYVLIXYCBCIX-OZVIIMIRSA-N 362.393 3.414 10 1 FGCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1cnccn1)=C2c1ccccc1 96934704 DDWFJEGFHQNUKG-NZQKXSOJSA-N 368.392 3.482 10 1 FGCF O=C1C(=O)c2nc(CN3CCN(c4ccccc4)CC3)oc2-c2ccccc21 653702453 WDHIJGIXBORUJQ-UHFFFAOYSA-N 373.412 3.043 10 1 FGCF COc1cc(OC)c2c(c1)C(=O)c1cc(O)c(CC=C(C)C)c(O)c1C2=O 14761015 UEGSQEHSTULUCQ-UHFFFAOYSA-N 368.385 3.399 10 1 FGCF biogenic O=C([C@H]1Cc2ccccc2[C@H](c2c(F)ccc(F)c2O)N1)C(F)(F)F 962728376 DWZCEFVUVUGVBD-TZMCWYRMSA-N 357.278 3.406 10 1 FGCF COc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc(O)c1O 587785609 OEWJSFBTZUDWMP-GORDUTHDSA-N 362.183 3.311 10 1 FGCF Cc1ccc[n+](-c2[nH]c(=O)sc2C/N=N/c2ccc([N+](=O)[O-])cc2)c1 169690346 BRHROAFBDFFINX-HTXNQAPBSA-O 356.387 3.214 10 1 FGCF OCCCCn1c(Cn2c3c(c4ccccc42)CCNC3)nc2ccccc21 1857746514 DJVHDNQFYKNAOE-UHFFFAOYSA-N 374.488 3.458 10 1 FGCF CC(C)(O)CCc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(O)c3OC[C@H]21 31161245 JZAOILYZTLYIEL-FZKQIMNGSA-N 358.390 3.117 10 1 FGCF biogenic CN1CCCC[C@@H]1c1c(O)cc2oc(C3=CC[C@H](O)C=C3)cc(=O)c2c1O 2356329421 DRAZRISCPQMUES-ZIAGYGMSSA-N 369.417 3.065 10 1 FGCF CN1[C@H]2C[C@@H]3[C@H](CO[C@@]4(C)OC(=O)C[C@H]34)[C@H]1Cc1c2n(C)c2ccccc12 2356522443 HIJSJXVEJVBFFC-LMYWCVEZSA-N 366.461 3.022 10 1 FGCF CC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 95556526 BJEKALZISDYFDX-FQEVSTJZSA-N 360.417 3.273 10 1 FGCF Cc1ccc(NC(=O)Cn2c(O)c(N=NC(N)=O)c3ccccc32)cc1 253928456 JBPJRXPCXUFJAX-UHFFFAOYSA-N 351.366 3.456 10 1 FGCF Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1 219920193 FWDWGHJBSGNVHA-UHFFFAOYSA-N 354.431 3.213 10 1 FGCF COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3O)CC[N+]2(C)C)cc1 14594270 DMMIFHMAGNNPAL-QGZVFWFLSA-O 358.458 3.334 10 1 FGCF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587961305 DUQVWQJUIMBDDR-NWDGAFQWSA-N 358.397 3.496 10 1 FGCF CCc1ccc(O)c2c1[C@@H](C)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962924645 UPLVWRPAOPEJFJ-SBOBAANCSA-N 355.409 3.443 10 1 FGCF COc1cccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 261174804 UOVSQFOTCBFXJK-UHFFFAOYSA-N 350.403 3.490 10 1 FGCF CN1CCc2cnn(C)c2[C@@]1(C)c1ccc(OCc2ccccc2)cc1O 963956382 XUSHFWCTGYUGOR-JOCHJYFZSA-N 363.461 3.456 10 1 FGCF COC(=O)CCCc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95581451 IWIASIUVOGDMMF-UHFFFAOYSA-N 361.397 3.246 10 1 FGCF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1cccc(O)c1O 2356330780 VBTFCYSOEPNMSX-IDPBPBMLSA-N 371.477 3.498 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 103287913 BLDHJEUAUYXHGB-GJZGRUSLSA-N 374.736 3.304 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(F)cc3)=NC2=O)o1 28816621 RNEACARJKXYVND-KQGZCTBQSA-N 374.393 3.367 10 1 FGCF O=C1NC(=S)N=C(O)/C1=C/c1c(-c2ccc(O)cc2)[nH]c2ccccc12 73389817 FZTKGMPGEHEHPK-UHFFFAOYSA-N 363.398 3.295 10 1 FGCF O=C1c2ccccc2C(=O)c2c(-c3cc[n+](Cc4ccccc4)cc3)noc21 84714047 ZMMYFTPUUPLLEP-UHFFFAOYSA-N 367.384 3.453 10 1 FGCF O=C1C[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587534047 VDQKIZXLWIUZDZ-NRFANRHFSA-N 368.385 3.008 10 1 FGCF CCN1CCCc2cc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)ccc21 963467958 HVYKGAMCQYIHGE-LAUBAEHRSA-N 366.461 3.161 10 1 FGCF Cc1cc(C)c(O)c(C2=NN[C@@H](c3ccc(N4CCOCC4)cc3)C2)c1 49034436 QGNBOCOVWJETBK-LJQANCHMSA-N 351.450 3.284 10 1 FGCF C[C@@H](CN=[N+]=[N-])CN1CC[C@H](NC(=O)OCc2ccccc2)CCC1=O 15935258 DGLMWSZYTIPKFQ-GOEBONIOSA-N 359.430 3.240 10 3 FGCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccsc3)cc(O)c21 1857583072 SNEOCYFNCAGJMJ-INIZCTEOSA-N 352.367 3.016 10 1 FGCF Oc1c(CN2CCCC2)cc(Cn2nnc3ccccc32)c2cccnc12 1857762790 YDOJEKALOGVEEV-UHFFFAOYSA-N 359.433 3.329 10 1 FGCF C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3ccc(N)cc3)[C@@H]2CC1 141168219 FLEBOCJBEJXTTK-LSQFPSCNSA-N 370.493 3.194 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(O)c2O)N1 587821000 GGCQPALSFWQDTL-WJWGPLDTSA-N 368.202 3.329 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1[nH]c3cc(O)nc(O)c3c1C)O2 587396602 MQOMYJKMWVCOON-LJQANCHMSA-N 353.378 3.054 10 1 FGCF COc1cc(C)cc2c1CO[C@@]21c2ccc(O)c(O)c2C[C@H]1C(C)(C)O 2356798934 SZYDSVWDDZQORC-RXVVDRJESA-N 356.418 3.132 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@@H]3CC[C@H]12 256330959 VYFIQXXVEPQANM-LRGKAQELSA-N 357.498 3.336 10 1 FGCF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587961304 DUQVWQJUIMBDDR-NEPJUHHUSA-N 358.397 3.496 10 1 FGCF NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1 169685144 PXJOCPODSAQBED-QURGRASLSA-N 367.390 3.072 10 1 FGCF CC[C@H]1CN(C)[C@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 1772598552 NGXHJEBLMJISCN-NZEZWHPISA-N 368.477 3.053 10 1 FGCF Fc1ccc(Cn2nnnc2NCc2ccc(N3CCCC3)cc2)cc1 95665649 JWQCLZFKCSNHOP-UHFFFAOYSA-N 352.417 3.073 10 1 FGCF O=[N+]([O-])c1ccccc1N=Nc1c(O)[nH]c2ccc(S(=O)(=O)O)cc12 617995172 ZJSOBJXQXMFSSR-UHFFFAOYSA-N 362.323 3.444 10 1 FGCF CN(C)CCCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O 13651670 GEBVMOMEXZIHSB-UHFFFAOYSA-N 365.385 3.244 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 103287754 YLZBGPXHBURJCU-LSDHHAIUSA-N 374.736 3.304 10 1 FGCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(O)cc1 73385888 ISNZOKCZQHLWQB-UHFFFAOYSA-N 364.401 3.274 10 1 FGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(C)[C@H]31 95555144 IIBBDHJWIQMYIZ-IBGZPJMESA-N 351.381 3.463 10 1 FGCF Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)S(=O)(=O)N3)cc1 2474015 JXJXIWPKXOGZLA-UHFFFAOYSA-N 374.443 3.063 10 1 FGCF COc1c(Oc2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O 95486286 QFSVMALFWLWANL-UHFFFAOYSA-N 360.318 3.033 10 1 FGCF biogenic,in-vitro CCc1ccc(O)c2c1[C@H](C)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962924632 UPLVWRPAOPEJFJ-BSPLBBPOSA-N 355.409 3.443 10 1 FGCF CN(C)CCCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264523 UKEXTKOOZRMBQF-UHFFFAOYSA-N 365.458 3.382 10 1 FGCF CC1(C)OC(=O)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586910322 OMTKVHQKFGXVQI-CYBMUJFWSA-N 360.369 3.147 10 1 FGCF NC(=S)/N=N\c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12 102754960 ZMSPWVPXMXCSNS-DNTCVELPSA-N 352.375 3.392 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(O)cc2O)N1 587823927 XHZPJAYIXGSKJF-QZTNRIJFSA-N 368.202 3.329 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)C3(C)CCCC3)=NC2=O)o1 28816649 NUONFJJAHQYHDF-QLKUMGTLSA-N 362.451 3.435 10 1 FGCF [18F]CCOc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1 100076859 MUMVCUPHGPDDKM-GJQNQZCXSA-N 353.432 3.005 10 1 FGCF Cc1cc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)ccn1 1911573210 HJZYGGIVENWQEW-UHFFFAOYSA-N 366.380 3.413 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnnc(O)c3[nH]1)[C@@H]1CC=C[C@H]21 587277300 SLRAZIACJIHRPL-RWSFTLGLSA-N 364.365 3.102 10 1 FGCF COc1cccc([C@H]2N[C@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O 13142245 LWFFAIDGWKLELR-VVDPLQPHSA-N 371.433 3.342 10 1 FGCF C[C@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)C=[N+]=[N-])c1ccccc1 28009597 WCKHIXJEUUOWGC-GHTZIAJQSA-N 362.477 3.273 10 1 FGCF COc1cccc(Nc2ncnc3c2ncn3CCc2ccc(N)cc2)c1 40395025 CGJZGFNAKGXZLM-UHFFFAOYSA-N 360.421 3.403 10 1 FGCF Cc1ccc(NC(=O)CCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27556181 DQEXBHQDTYKUIH-YWZLYKJASA-N 372.465 3.227 10 1 FGCF O=C(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1cc(F)cc(F)c1 45301800 AREBTOFTCGAULE-SFHVURJKSA-N 360.404 3.455 10 1 FGCF CCCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 299835541 WIIYQYWAPDCDNA-UHFFFAOYSA-N 358.346 3.461 10 1 FGCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccsc3)cc(O)c21 1857583073 SNEOCYFNCAGJMJ-MRXNPFEDSA-N 352.367 3.016 10 1 FGCF Oc1[nH]c2ccc(Br)cc2c1/N=N/C(=S)N1CCOCC1 101957184 UVTGFBZARMYBIL-WUKNDPDISA-N 369.244 3.337 10 1 FGCF CCN(CC)CCOc1ccc2c(c1)O[C@@H]1C(=O)c3ccccc3C(=O)[C@H]21 84462566 HRGYVYLNOUCSJW-UGKGYDQZSA-N 365.429 3.331 10 1 FGCF COc1ccc(Cl)c2c1CCN[C@@]2(c1cnoc1)c1ccccc1O 963257146 IFDBHMMGJWCQIS-IBGZPJMESA-N 356.809 3.480 10 1 FGCF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2ncccc12 1857600673 DQUKSHZPHJYWNM-UHFFFAOYSA-N 356.476 3.339 10 1 FGCF Cc1cccc(NC(=O)Cn2c(O)c(N=NC(N)=O)c3ccccc32)c1 617978361 ZODPKDYZECBMKV-UHFFFAOYSA-N 351.366 3.456 10 1 FGCF CN(C)Cc1cc(Nc2nncc3ccccc23)cc(CN(C)C)c1O 27893066 FNNKZEFELRKPAO-UHFFFAOYSA-N 351.454 3.202 10 1 FGCF CN1C[C@H](CNC(=O)C2CCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297465 CJMOFABIRFQLED-NYSBEXSLSA-N 365.521 3.445 10 1 FGCF Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1 584904715 HSEGDFMLRPWOHH-UHFFFAOYSA-N 367.478 3.228 10 1 FGCF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)cc2O)N1 587824335 ZSLRJWFGOOYJKB-GYKQLYQFSA-N 368.202 3.329 10 1 FGCF O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2cnccc12 14973433 LAJBRLBYOVKUOY-UHFFFAOYSA-N 362.433 3.393 10 1 FGCF in-vivo O=C(CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccccc1 1857602436 OSGWBOQCVIYYMT-MHWRWJLKSA-N 355.440 3.476 10 1 FGCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)c3cccc(O)c3)[nH]c21 586889001 DUUFLCDCMDVMTE-IBGZPJMESA-N 370.364 3.126 10 1 FGCF Nc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1 45385325 MIJXOGPHWZPTAO-UHFFFAOYSA-N 356.385 3.429 10 1 FGCF CN1C(=S)N(c2ccc3c(c2)CCC3)C(=O)/C1=C/c1cccc(O)c1O 653840611 KBHZRINWVIYNJU-WJDWOHSUSA-N 366.442 3.191 10 1 FGCF O=C1c2c(O)cccc2C(=Cc2cc(O)c(O)c(O)c2)c2cccc(O)c21 3810342 MCYXTPNILAVSKG-UHFFFAOYSA-N 362.337 3.348 10 1 FGCF O=[N+]([O-])c1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685246 DNKKHSMUNZLJGH-XTQSDGFTSA-N 360.337 3.403 10 1 FGCF CCCCN(C)C(=O)c1cnn2c(O)c(Cc3ccc(F)cc3)c(C)nc12 9597712 RMBBKSMNRUGXOI-UHFFFAOYSA-N 370.428 3.345 10 1 FGCF CC(C)=CCc1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2 14648160 IQDFKWMQHFUYNY-YLJYHZDGSA-N 358.390 3.055 10 1 FGCF biogenic CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149630457 SCIRBMWPIWYCRN-HNNXBMFYSA-N 366.461 3.129 10 1 FGCF CCn1c(O)c(N=NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 253995128 QMWSLXMOYNMEJK-UHFFFAOYSA-N 364.405 3.336 10 1 FGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1cnccn1)=C2c1ccccc1 96934701 DDWFJEGFHQNUKG-OFNKIYASSA-N 368.392 3.482 10 1 FGCF CN1CCCc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21 71341507 LYLCSJKMZCHIMB-UHFFFAOYSA-N 366.392 3.270 10 1 FGCF CC(=O)Oc1cccc2c1C(=O)c1oc3c(c1C2=O)c(=O)oc1ccccc13 1857744436 WXWJXNXAKJZKCQ-UHFFFAOYSA-N 374.304 3.240 10 1 FGCF Cn1ccnc1Sc1cc(C(=O)Nc2ccc(N)cc2)c(N)cc1F 28872025 RBAGBFJHZDCWTA-UHFFFAOYSA-N 357.414 3.127 10 1 FGCF COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c(C(C)=O)c1OC 96929559 NZKPEOCLCJZICW-UHFFFAOYSA-N 356.330 3.091 10 1 FGCF biogenic Nc1ccc(Oc2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1 587028802 XQDNMDLVCXUYDZ-UHFFFAOYSA-N 365.418 3.324 10 1 FGCF CC[C@@]1(N=[N+]=[N-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 43443356 BHGJMTMLLMWADM-FQEVSTJZSA-N 373.372 3.398 10 1 FGCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N\C(N)=O)c3ccccc32)cc1 4574796 JBPJRXPCXUFJAX-DQRAZIAOSA-N 351.366 3.456 10 1 FGCF CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(N(C)C)nc2c1O 36380898 XLPCONLTMNUBOK-MRXNPFEDSA-N 359.813 3.478 10 1 FGCF C[C@](Cc1ccc(O)c(O)c1)(C(=O)O)n1nc2cc1Oc1ccc(F)cc1-2 587874941 JUFHZRAZMLIFBT-IBGZPJMESA-N 370.336 3.249 10 1 FGCF CCOC(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587785415 LQRWCZKRDDCYSH-DAXSKMNVSA-N 354.362 3.330 10 1 FGCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1[C@@]3(CCC[C@@]1(C)C(=O)O3)C2 14816968 MENXOAAQJIIUMB-NXXCRTJYSA-N 360.406 3.158 10 1 FGCF biogenic O=C(N[C@@H]1CCN(Cc2ccccc2O)C1)c1cccc(C(F)(F)F)c1 45302931 IUWKICZXGNQSDM-MRXNPFEDSA-N 364.367 3.415 10 1 FGCF COc1cc(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC 58581319 NJUMGXRDWXQICJ-MRXNPFEDSA-N 355.438 3.217 10 1 FGCF CCN(CC)CCN[C@@H]1c2cc(N(C)C)ccc2OCc2ncccc21 26833576 DQESTASZJJNSAM-NRFANRHFSA-N 354.498 3.061 10 1 FGCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cc2)cc1 1857564472 CXTOZORCBNGBJT-RBUKOAKNSA-N 357.885 3.025 10 1 FGCF CN(C)c1ccc([C@@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 103074515 XHRBBRGHUDAABO-INIZCTEOSA-N 361.401 3.043 10 1 FGCF O=C(NCCc1cccc(F)c1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857574586 RXOYLJPAMBACMO-UHFFFAOYSA-N 363.344 3.167 10 1 FGCF Cc1ccc(O)c(/N=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 13123972 DIUMKGCYLLEYNO-HNENSFHCSA-N 361.423 3.137 10 1 FGCF Cc1cc(I)c2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 33837907 JMRRIKROUNXRLA-IGJMFERPSA-N 355.175 3.138 10 1 FGCF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(O)c1O 587784705 CKCLYKOCUMKBAU-IHWYPQMZSA-N 362.288 3.475 10 1 FGCF O=C(NCCc1ccc(F)cc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857547328 GZVNDXXMKLBUEV-UHFFFAOYSA-N 363.344 3.167 10 1 FGCF CCO[P@@]1(=O)C(SC)=NN(CC)C12C(=O)c1ccccc1C2=O 40917089 NHIGJZRXRKFLQJ-QFIPXVFZSA-N 352.352 3.046 10 1 FGCF COc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(O)c1O 587786326 SLHNMQRXPYGLLP-ONEGZZNKSA-N 366.352 3.478 10 1 FGCF CC(C)=CCc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O 14762914 HCLPXVZSJXUHTK-CQSZACIVSA-N 356.374 3.377 10 1 FGCF biogenic,in-vitro COc1c(O)c(CN2CCCC2)c2oc(-c3ccccc3)cc(=O)c2c1O 29128354 HLCLPIQUDJBLCT-UHFFFAOYSA-N 367.401 3.476 10 1 FGCF CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC)ccc1C2=O 40919095 FNUQOQZYSRMGQN-UHFFFAOYSA-N 350.374 3.159 10 1 FGCF in-vivo Nc1ccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)cc1 1911577057 XYEVPIYTVBQTRF-UHFFFAOYSA-N 366.380 3.292 10 1 FGCF CN(CCO)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587192879 IAEUUEXFVLNZHL-UHFFFAOYSA-N 371.750 3.121 10 1 FGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(O)c1 587613588 ZXULMRVIIPMFSP-JXFKEZNVSA-N 366.325 3.212 10 1 FGCF COc1ccc(NC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1 1857744878 CFGCVTIVSZYSBK-UHFFFAOYSA-N 362.341 3.019 10 1 FGCF COc1ccc(N2CCN(c3[nH]cnc4c5ccccc5nc3-4)CC2)cc1 101867357 LHCHMNFZVIHXMW-UHFFFAOYSA-N 359.433 3.398 10 1 FGCF CC[C@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(OC)c2C3=O)C1 13379076 JCMDNBJXOUWFMR-SNVBAGLBSA-N 350.370 3.331 10 1 FGCF biogenic O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)c(Br)c1 42892429 SKOIQBSRCPUZRQ-UHFFFAOYSA-N 352.159 3.155 10 1 FGCF C=CC(=O)N1CCN(c2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)CC1 299826335 FUPBUDKYYZXUDZ-CYVLTUHYSA-N 359.429 3.014 10 1 FGCF CC(C)Oc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948389 OUDIYJUFNYZPSN-UHFFFAOYSA-N 361.423 3.094 10 1 FGCF O=C(O)c1cc(/N=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1O 44086958 ASXKUAVYJAHNJO-WGLILOHCSA-N 353.334 3.351 10 1 FGCF COc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C(C)(C)[C@H](C)O2 15256069 HFNUBTGETCNNAV-ZETCQYMHSA-N 358.346 3.130 10 1 FGCF biogenic CCOc1ccc(N2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)CC2)cc1 144922762 FEWOOAFTULHXLK-UHFFFAOYSA-N 368.412 3.063 10 1 FGCF COc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(O)c1O 587786325 SLHNMQRXPYGLLP-ARJAWSKDSA-N 366.352 3.478 10 1 FGCF Cc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 13762078 WCKUEFSDCROCDY-UHFFFAOYSA-N 359.422 3.488 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(O)c2)N1 587823820 WLHLFXUFMCSNRI-MLXNANBUSA-N 368.202 3.329 10 1 FGCF CC(=O)Nc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685242 AHOVXSFTFYLIQN-WNAAXNPUSA-N 372.392 3.453 10 1 FGCF CN(C)S(=O)(=O)c1cccc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587259954 KHESFMZMNIPTFA-UHFFFAOYSA-N 350.448 3.226 10 1 FGCF CCCc1ccc2c(c1)NC(=O)[C@]21NN=C(c2ccc(OC)cc2)S1 28824744 HBXVEQHRTCDTPV-IBGZPJMESA-N 353.447 3.451 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(O)c1 587613591 ZXULMRVIIPMFSP-UZLBHIALSA-N 366.325 3.212 10 1 FGCF Cc1nc2c(C(=O)N3CCCC3)cnn2c(O)c1Cc1cccc(Cl)c1 34858543 VQSCAYMFNAPKED-UHFFFAOYSA-N 370.840 3.224 10 1 FGCF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1cc(O)c(O)cc1O 169316809 UNZWYBHRZKQSRL-CYYCYGDNSA-N 369.461 3.276 10 1 FGCF COC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653784938 ZKBDGLOTFVJEDT-UHFFFAOYSA-N 351.177 3.073 10 1 FGCF O=C(Nc1ccccc1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 1152602258 TVPSAMHWLFIUIL-UHFFFAOYSA-N 359.337 3.126 10 1 FGCF CC(C)C(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64454033 PQFJRDPDYDMRGJ-UHFFFAOYSA-N 356.330 3.138 10 1 FGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)cc1O 587612422 VGDHRIWZZZPEEG-FXAWDEMLSA-N 366.325 3.212 10 1 FGCF C[C@@H](NCc1ccc(O)c(CN2CCN(C)CC2)c1)c1ccccc1F 473109903 UJNOBFLVNZZNMY-MRXNPFEDSA-N 357.473 3.130 10 1 FGCF COCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O 36741096 OXFMRGSTPUJHFM-UHFFFAOYSA-N 369.465 3.098 10 1 FGCF CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2ccccc2O1 35079516 QOASNZDEQMFYSX-OAQYLSRUSA-N 352.434 3.084 10 1 FGCF O=C(O)c1cc(/N=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1O 35328046 ASXKUAVYJAHNJO-IWKHNONTSA-N 353.334 3.351 10 1 FGCF CC1=NN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@@H](c2ccccc2O)C1 84605239 LHNLQHNBYRWMFE-OAHLLOKOSA-N 369.387 3.316 10 1 FGCF CC(=O)Oc1cccc2c1C(=O)c1c(-c3ccc(F)cc3)noc1C2=O 84711671 YOAKRXUONZAEBU-UHFFFAOYSA-N 351.289 3.181 10 1 FGCF Nc1nccn2c(C3CCC3)nc(-c3ccn(Cc4ccccc4)c(=O)c3)c12 95582258 AFDWMMLYVZCOBN-UHFFFAOYSA-N 371.444 3.456 10 1 FGCF Cc1cc(O)c([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(C)c1Cl 963548520 GKDIYUFRCJMQRF-SGTLLEGYSA-N 361.825 3.365 10 1 FGCF O=C(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cccnc3c2O)cc1 5581333 LUWSVZRGAVETOB-VHEBQXMUSA-N 373.346 3.301 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2 14648166 SOSNZGAHBIGOGO-MOPGFXCFSA-N 358.390 3.055 10 1 FGCF biogenic O=C1C(=O)c2c(nc3ncnn3c2-c2ccc(Cl)cc2)-c2ccccc21 96917770 GDKJOQINYWHRAK-UHFFFAOYSA-N 360.760 3.491 10 1 FGCF COCCC=Cc1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 2356505845 ROZARGMLPGUFLC-PMACEKPBSA-N 358.390 3.021 10 1 FGCF COc1cc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc(O)c1O 587785171 ILVWOTIGMAVXDX-IHWYPQMZSA-N 362.183 3.311 10 1 FGCF Cc1cc(C)c(O)c(C2=NN[C@H](c3ccc(N4CCOCC4)cc3)C2)c1 49034434 QGNBOCOVWJETBK-IBGZPJMESA-N 351.450 3.284 10 1 FGCF CC(=O)O[C@H](CCc1ccc(O)c(O)c1)C[C@H](O)CCc1ccc(O)cc1 72179328 WFGFERPBWVNUAJ-RTBURBONSA-N 374.433 3.052 10 1 FGCF biogenic CN[C@H](c1cccnc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587224155 FYZULZNGYXOHSX-GOSISDBHSA-N 368.396 3.042 10 1 FGCF [N-]=[N+]=NC[C@H]1OC[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 17258111 IXUXOCVYBHXBOU-UAFMIMERSA-N 369.421 3.227 10 1 FGCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)F)cc2)cc1 1857568872 VXWCOGOKMRXNDQ-MOPGFXCFSA-N 373.447 3.310 10 1 FGCF O=c1c2cc(O)c(O)c(O)c2nc(-c2ccccc2)n1Cc1ccccc1 96285600 JQFLKAJQKGNCSW-UHFFFAOYSA-N 360.369 3.229 10 1 FGCF COCCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 84635798 USIPWYRCSMXLLQ-XFFZJAGNSA-N 374.281 3.002 10 1 FGCF COCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 95583205 IMLNZIUXRPBDBX-UHFFFAOYSA-N 364.357 3.158 10 1 FGCF COc1ccc(C=C2C(=O)N(CC(C)C)C(=O)N(CC(C)C)C2=O)cc1 299861144 KORIAGGGAQBHHU-UHFFFAOYSA-N 358.438 3.181 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@@H]3CC[C@@H]12 256330966 VYFIQXXVEPQANM-QCVZGKPXSA-N 357.498 3.336 10 1 FGCF COc1ccccc1C(=O)CSc1nnc2c(n1)[nH]c1ccccc12 261138402 MPUBLEIDAIWNAE-UHFFFAOYSA-N 350.403 3.490 10 1 FGCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(F)cccc4c3nc12 27855676 WYOJSYKXYPZHRC-UHFFFAOYSA-N 362.408 3.367 10 1 FGCF CCOC(=O)/C=C/c1cc(OC)c2c(c1OC)C(=O)c1ccccc1C2=O 40505511 HPOBQHRCLWNZQE-MDZDMXLPSA-N 366.369 3.056 10 1 FGCF O=C1c2ccc(NC(=O)C3CC3)cc2C(=O)c2cc(NC(=O)C3CC3)ccc21 40934292 SCYQIQINYUMLPD-UHFFFAOYSA-N 374.396 3.159 10 1 FGCF in-vivo COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNC(C)C)c3O)O2)cc1O 653689031 OXRMGJUXDFPZGJ-KRWDZBQOSA-N 373.405 3.017 10 1 FGCF CCOC(=O)/C=C/c1ccc2c(c1)OC(=O)C[C@H](c1ccc(O)c(O)c1)O2 238778503 SOJCXOOLLHIOQT-IOMDMTNGSA-N 370.357 3.103 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)cc2O)N1 587824338 ZSLRJWFGOOYJKB-VGDKGRGNSA-N 368.202 3.329 10 1 FGCF CC[C@@H](CO)CC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 26818447 YGPDUEFXOVORPS-STXHMFSFSA-N 352.478 3.026 10 1 FGCF Cc1ccc(C(=O)OCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27723490 NSVXVUGAGGSSJH-QRWLVFNGSA-N 373.449 3.055 10 1 FGCF CCN(CC)CCOc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O 28713991 RPXGBDKJYOGAIK-UHFFFAOYSA-N 364.401 3.324 10 1 FGCF Cc1cc(C)c([C@@H](O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1 13490156 DFXPACOPQZCCMY-LJQANCHMSA-N 353.374 3.351 10 1 FGCF COc1cc(OC)c(C(=O)c2cccc(F)c2)c(O)c1CN1CCCC1 49112032 WDKVOQDTNUONSQ-UHFFFAOYSA-N 359.397 3.375 10 1 FGCF O=C([C@@H]1Cc2ccccc2[C@@H](c2c(F)ccc(F)c2O)N1)C(F)(F)F 962728371 DWZCEFVUVUGVBD-JSGCOSHPSA-N 357.278 3.406 10 1 FGCF O=[N+]([O-])c1nccn1CCCNc1c2ccccc2[n+]([O-])c2ccccc12 31852985 GQBMKKZWYNRCIN-UHFFFAOYSA-N 363.377 3.233 10 1 FGCF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)CC2=O 587472352 HCHGHMBLPWOUGS-INIZCTEOSA-N 359.334 3.371 10 1 FGCF O=C(COc1ccccc1)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66258285 BYBMWNKCEVPSIF-UHFFFAOYSA-N 360.369 3.165 10 1 FGCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)N(C)C[C@@H]3OC 95099639 ZWSNXMWHYIBIJA-GUYCJALGSA-N 357.406 3.012 10 1 FGCF biogenic,in-vitro COc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc(O)c1O 587784555 ACWXCDFEOWGOLB-IHWYPQMZSA-N 362.183 3.311 10 1 FGCF COCCC=Cc1ccc2c(c1)O[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 2356505847 ROZARGMLPGUFLC-VQTJNVASSA-N 358.390 3.021 10 1 FGCF CCCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 103297447 ZFUNQHQJPVTQQO-QKYXUNIQSA-N 353.510 3.445 10 1 FGCF CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)n(C)n(-c2ccccc2)c1=O 1857760864 JSPMIGNAVFFBER-RGEXLXHISA-N 372.428 3.291 10 1 FGCF Cc1cnc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)s1 29341788 SSFFYRPUPWNGCV-UHFFFAOYSA-N 354.478 3.103 10 1 FGCF Nc1cccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)c1 1911580494 QEKLVRIPLXGKCZ-UHFFFAOYSA-N 366.380 3.292 10 1 FGCF CCc1ccc(O)c2c1[C@@H](C)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962924651 UPLVWRPAOPEJFJ-VQDICGIKSA-N 355.409 3.443 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)C=[N+]=[N-])[C@@H]3CC[C@@H]12 26384308 VYFIQXXVEPQANM-NKVVYRFCSA-N 357.498 3.336 10 1 FGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(C)[C@@H]31 95555143 IIBBDHJWIQMYIZ-LJQANCHMSA-N 351.381 3.463 10 1 FGCF COc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)cc(O)c1O 587786729 WBXDPGAUSJARMM-NSCUHMNNSA-N 362.183 3.311 10 1 FGCF CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12 2455810 WUEDWQFWLIYZIU-UHFFFAOYSA-N 372.402 3.163 10 3 FGCF aggregator Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1C)O2 587400060 OQNXCAOEDGSPME-FQEVSTJZSA-N 352.434 3.429 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586947994 BAKSRXTYHFRRMK-UHFFFAOYSA-N 373.221 3.009 10 1 FGCF [N-]=[N+]=NC[C@@H]1OC[C@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 105527477 IXUXOCVYBHXBOU-LWYYNNOASA-N 369.421 3.227 10 1 FGCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)CCO4)C2)cc1 1772611478 ZRUIKWYDZPTKIP-BTYIYWSLSA-N 366.461 3.476 10 1 FGCF O=C(C(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccccc1 587560857 HRUTXRLEDTWNCS-UHFFFAOYSA-N 371.352 3.169 10 1 FGCF COc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccccc1S2 22460841 WHOLDQVFAWYZSG-IBGZPJMESA-N 370.518 3.054 10 1 FGCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2ccccc12 28711308 AHZUONJDWOQPSG-UHFFFAOYSA-N 362.429 3.173 10 1 FGCF O=C(c1ccncc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 73165251 CJYGWUSMPBZWTA-SFHVURJKSA-N 359.385 3.484 10 1 FGCF Cc1cc(=O)oc2c(C3=NN[C@H](c4cccc([N+](=O)[O-])c4)C3)c(O)ccc12 84651997 NGPKCKNLSIBQKF-AWEZNQCLSA-N 365.345 3.154 10 1 FGCF CC(C)n1c(O)c(/N=N\C(=O)CNC(=O)c2cccnc2)c2ccccc21 102325687 NTTQKOHIJWILBY-FCQUAONHSA-N 365.393 3.363 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 14648162 SOSNZGAHBIGOGO-RTBURBONSA-N 358.390 3.055 10 1 FGCF biogenic CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2O)NC(=S)N1 45284529 IGIMZCPFSNQFTO-INIZCTEOSA-N 373.865 3.477 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)C3(C)CCCC3)=NC2=O)o1 28816648 NUONFJJAHQYHDF-ZVHGMHCTSA-N 362.451 3.435 10 1 FGCF COc1cc(C(=O)c2ccn(-c3ccc(N)cc3)c2)cc(OC)c1OC 299828655 OIQCJIXFJXULMT-UHFFFAOYSA-N 352.390 3.316 10 1 FGCF COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(C)c1OC)C2=O 69482124 HPGBDEDFLPMZRF-UHFFFAOYSA-N 356.374 3.113 10 1 FGCF biogenic,in-vitro Cc1ccc(NC(=O)CCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27556183 DQEXBHQDTYKUIH-QRWLVFNGSA-N 372.465 3.227 10 1 FGCF Oc1nc(O)c2ccc(-c3ccc(O)c(CN4CCCCCC4)c3)nc2n1 587557972 NPIJYUUPYYOAOD-UHFFFAOYSA-N 366.421 3.185 10 1 FGCF COc1cc(C[C@@H](NC(C)C)c2ccc(O)c(O)c2)cc(OC)c1OC 169330770 SEFPKTNWYNTCKH-OAHLLOKOSA-N 361.438 3.405 10 1 FGCF Nc1cnccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205519223 ZKHFDMGDNSSRGL-UHFFFAOYSA-N 359.311 3.084 10 1 FGCF C[C@H](O)[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@H](O)C2=O 2356564349 LYDXJYXBBJDDSG-MRQIISMYSA-N 362.466 3.223 10 1 FGCF CC(C)N1C(=O)/C(=C/C=C/c2ccco2)C(=O)N(Cc2ccco2)C1=O 984570 NOFSRFCBRFFHJD-KJWHQMAJSA-N 354.362 3.212 10 3 FGCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)S2)cc1 299819599 ASRVXPYEGBBNRK-WJDWOHSUSA-N 357.456 3.460 10 1 FGCF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CN(C)C)c1O 587385077 BKINDKSWVRDKSA-QGZVFWFLSA-N 356.422 3.060 10 1 FGCF CC(=O)[C@@H]1[C@H](C)OC[C@H]2[C@@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356351865 HDWJJWIIAAZFAK-NNRXQORDSA-N 352.478 3.336 10 1 FGCF CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2ccccc2O1 35079517 QOASNZDEQMFYSX-NRFANRHFSA-N 352.434 3.084 10 1 FGCF Cc1cc(Br)cc([C@H]2NCCc3c(C(=O)O)cccc32)c1O 963151116 RCBONJNAHFMUIO-HNNXBMFYSA-N 362.223 3.396 10 1 FGCF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1O)[C@@H](C2)C3=O 587430443 FRBYFFVMLGIXTH-MGPUTAFESA-N 362.385 3.384 10 1 FGCF O=c1oc2cc(/C=C/c3ccc(O)cc3)oc(=O)c2c2cc(O)c(O)cc12 14589300 PHNDPMPVQSECSJ-ZZXKWVIFSA-N 364.309 3.187 10 1 FGCF biogenic,in-vitro COc1ccc(N2CCN(CC[C@@H]3c4ccccc4C(=O)N3C)CC2)cc1 29243705 JSGIEHICMIFPBV-OAQYLSRUSA-N 365.477 3.034 10 1 FGCF Cn1c(CSc2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 64559134 VEJCQVKOBPSUIH-UHFFFAOYSA-N 369.490 3.403 10 1 FGCF O=C(NCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 12352700 QPNICESGZANARJ-UHFFFAOYSA-N 364.401 3.346 10 1 FGCF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)cc(O)c1O 587787128 ZYLVVCBGGRMQDB-ARJAWSKDSA-N 354.362 3.314 10 1 FGCF CCN(CC)c1ccc(CN2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)cc1 11790352 ZRUMJRSZZOTUFR-NRFANRHFSA-N 373.541 3.183 10 1 FGCF Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1/N=N/c1ccc2c(c1)OCO2 169689167 IXEOKKGXQGCMGS-GHVJWSGMSA-N 374.360 3.416 10 1 FGCF CC1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1 1330531 SUCCGCXLAVVJOL-GOSISDBHSA-N 356.518 3.315 10 3 FGCF COc1cc(CCCOC(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1O 238773419 WHBFQWYWOVTRCA-SOFGYWHQSA-N 374.389 3.010 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)cc2O)N1 587824336 ZSLRJWFGOOYJKB-HYORBCNSSA-N 368.202 3.329 10 1 FGCF CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N2CCCCC2)cc1 101476313 NUYUCDWEWQFJIV-ZPHPHTNESA-N 352.460 3.166 10 1 FGCF C[C@H](C(=O)N=Nc1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 253961167 LHOXSRALUUOLKB-LLVKDONJSA-N 361.361 3.455 10 1 FGCF COc1ccccc1CNC(=S)SCc1nc(=O)c2ccccc2[nH]1 209469020 OYRVWBQESANSEU-UHFFFAOYSA-N 371.487 3.240 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12 28641105 ISNOHYNRCDDGAH-UHFFFAOYSA-N 365.794 3.191 10 1 FGCF Cc1nc2c(C(=O)NCCC(C)C)cnn2c(O)c1Cc1ccccc1F 13110845 ZRXHJPHGYAJOIF-UHFFFAOYSA-N 370.428 3.249 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(F)cc3)=NC2=O)o1 34947225 RNEACARJKXYVND-MZLJFPOFSA-N 374.393 3.367 10 1 FGCF in-vivo CN[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 105390318 RCODLXKABFVUOP-YRFFXBIPSA-N 359.466 3.485 10 1 FGCF biogenic O=C(O)[C@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@H]12 62241712 UFZHQEXDMZQDGA-XUWXXGDYSA-N 355.415 3.058 10 1 FGCF Oc1cc2c(cc1O)CN(C(=S)NCCCc1ccccc1)CCC2 29131691 SYXKQRXGMOSVHJ-UHFFFAOYSA-N 356.491 3.353 10 1 FGCF COc1cc(C(C)(C)[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 28096530 VNPOLUPOVRPMIP-HXUWFJFHSA-N 373.449 3.288 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586949378 USURQIJPEIRXFU-UHFFFAOYSA-N 373.221 3.009 10 1 FGCF Nc1ccccc1S(=O)(=O)Nc1ccc(O)c(-c2ccccc2O)c1 45497725 RMPVFLKUKCXCCX-UHFFFAOYSA-N 356.403 3.148 10 1 FGCF CCOC(=O)/C=C/c1cc(O)c2oc(-c3cc(O)c(O)c(O)c3)cc2c1 299867073 PTWJPEKUAIVRIF-ONEGZZNKSA-N 356.330 3.499 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)ncnc3[nH]1)[C@@H]1CC=C[C@@H]21 587277284 SDJOJNIRUNLGMZ-GYSYKLTISA-N 364.365 3.102 10 1 FGCF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)cc1[N+](=O)[O-])CC2=O 587472517 IZOQLNLSPGAGAK-KRWDZBQOSA-N 359.334 3.371 10 1 FGCF O=C(O)CC[C@@H](N/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)O 1660386 PTPDWQVPUIUAQE-OAHLLOKOSA-N 367.365 3.136 10 1 FGCF CN(C)c1ncccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587195466 HXANKYSOENNHPI-UHFFFAOYSA-N 368.396 3.466 10 1 FGCF CCOC(=O)Cc1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587786797 XLJLMLYOGKSYLD-ALCCZGGFSA-N 368.389 3.259 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1cccc(Cl)c1 103287751 YLZBGPXHBURJCU-HUUCEWRRSA-N 374.736 3.304 10 1 FGCF COc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc(O)c1O 587784556 ACWXCDFEOWGOLB-NSCUHMNNSA-N 362.183 3.311 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586948826 LOMTVJDVIOMLID-UHFFFAOYSA-N 373.221 3.009 10 1 FGCF CN(C)c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)nc1 587194632 KKLBVRQKITYMRN-UHFFFAOYSA-N 368.396 3.466 10 1 FGCF CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O 29340303 JURATYHVINIFAZ-UHFFFAOYSA-N 369.417 3.027 10 1 FGCF CNC[C@]1(c2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587514194 VXILRTKCMOFWNA-NRFANRHFSA-N 353.418 3.057 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(O)cc2O)N1 587823952 XTSZYZCJFGAVCL-QZTNRIJFSA-N 368.202 3.329 10 1 FGCF COc1cc(OC)c2c3c(oc2c1)C(=O)c1c(OC)ccc(OC)c1C3=O 13652340 PYHXPHQWWVANPB-UHFFFAOYSA-N 368.341 3.243 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 586949243 REULTTHYPWKELX-UHFFFAOYSA-N 371.340 3.326 10 1 FGCF COc1ccc(CN2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)c(O)c1 2356465715 FDXSHRAUWLECHP-QGZVFWFLSA-N 368.433 3.440 10 1 FGCF Cc1c(O)ccc2c1[C@@H](c1ccc(OCC(C)C)cc1O)N[C@H](C(=O)O)C2 963506998 GWVQNQFHMCDHOH-OXJNMPFZSA-N 371.433 3.129 10 1 FGCF COc1cc(O)ccc1C(=O)C[C@@H]1c2ccc(O)c(O)c2C[C@H]1C(C)(C)O 1772634452 BWSHFLJYJLMOOH-GDBMZVCRSA-N 372.417 3.112 10 1 FGCF O=C1c2ncccc2C(=O)c2c1c(C(=O)Nc1ccccc1)c1ccccn21 1857650671 WNOQUMFSWLSTHZ-UHFFFAOYSA-N 367.364 3.362 10 1 FGCF COc1cc(C)cc2c1CO[C@]21c2ccc(O)c(O)c2C[C@H]1C(C)(C)O 2356798932 SZYDSVWDDZQORC-GHTZIAJQSA-N 356.418 3.132 10 1 FGCF CCCCOC(=O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29559340 VACNCQAVMQELEA-UHFFFAOYSA-N 374.525 3.470 10 1 FGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)Nc1ccccc1)c1ccccn21 1857767992 DQTGGEGJZDHXIR-UHFFFAOYSA-N 367.364 3.362 10 1 FGCF CCOC(=O)[C@@H](C)n1cc(-c2cccc3c2C(=O)c2ccccc2C3=O)cn1 1857543834 YFKGOBKLSOTNRJ-CYBMUJFWSA-N 374.396 3.450 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586948054 BQLBUFNXNZVARM-UHFFFAOYSA-N 373.221 3.009 10 1 FGCF CN(C)c1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29472822 BAAKRNXDXDRKHT-UHFFFAOYSA-N 364.375 3.025 10 1 FGCF Nc1cccc(S(=O)(=O)Nc2ccc(O)c(-c3ccccc3O)c2)c1 35000936 NPANFVHAWOBQEB-UHFFFAOYSA-N 356.403 3.148 10 1 FGCF CC(C)(CC(=O)O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587956045 RRAUMIINBIZYFI-UHFFFAOYSA-N 362.385 3.382 10 1 FGCF CCOc1ccc(N2CC(Oc3ccc(C[C@@H](C)NC(C)=O)cc3)C2)cc1 96172845 IVCFLXZKNJLREI-MRXNPFEDSA-N 368.477 3.420 10 1 FGCF COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1CN1CCCC1 49055747 TUUBZJCYBDWIRY-UHFFFAOYSA-N 359.397 3.375 10 1 FGCF Cc1ccc(C(=O)OCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27723471 NSVXVUGAGGSSJH-MGPUTAFESA-N 373.449 3.055 10 1 FGCF CCOc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1O 963233051 SXJRQHAAMMODTO-MJGOQNOKSA-N 364.401 3.027 10 1 FGCF O=C(Cn1ccnc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 299856436 BXLGCBHOKHUXFM-GOSISDBHSA-N 364.380 3.106 10 1 FGCF CN(CC[C@]1(c2ccccc2)C(=O)c2ccc(Cl)cc2C1=O)CC(=O)O 28571305 HNKOIHBLEVOKML-FQEVSTJZSA-N 371.820 3.064 10 1 FGCF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1cccc(O)c1O 2356330784 VBTFCYSOEPNMSX-JWWGGVBKSA-N 371.477 3.498 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@@H](Cc3ccccc3)C(=O)O)=NC2=O)o1 28816657 GGIRHARUGMTMMH-CNYBTUBUSA-N 370.430 3.098 10 1 FGCF C[C@@H](C(=O)N=Nc1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 253961171 LHOXSRALUUOLKB-NSHDSACASA-N 361.361 3.455 10 1 FGCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cc(Cl)ccc1O 45285758 MGHBKGKQOPBRSS-CMPLNLGQSA-N 359.831 3.481 10 1 FGCF CC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 29348134 UJVOWRKYUGEBHX-UHFFFAOYSA-N 368.216 3.357 10 1 FGCF C[C@@]1(c2c(O)cccc2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764299 LHIOZORWAALWHE-CXAGYDPISA-N 353.315 3.441 10 1 FGCF COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br 13737385 APPULWQRPHJFSV-UHFFFAOYSA-N 365.271 3.381 10 1 FGCF COC(=O)CCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O 13862829 PJJXXIKXRGBYLU-UHFFFAOYSA-N 351.358 3.014 10 1 FGCF [N-]=[N+]=NC[C@@H]1OC[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 105527481 IXUXOCVYBHXBOU-MUGJNUQGSA-N 369.421 3.227 10 1 FGCF O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccc(N2CCCC2)cc1 64454132 QPXMATDIUQDPJT-UHFFFAOYSA-N 354.378 3.071 10 1 FGCF CCc1cc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)c(O)cc1O 72119932 XHAWDBITIDBYAG-AWEZNQCLSA-N 373.405 3.164 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc[nH]c(=N)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276867 OIEYVLIXYCBCIX-HSMVNMDESA-N 362.393 3.414 10 1 FGCF Cc1oc2c(c1C(=O)OCCc1ccccc1)C(=O)c1ncccc1C2=O 1857635977 SVEXAUJZMOMSNP-UHFFFAOYSA-N 361.353 3.158 10 1 FGCF CCCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64447521 VFPNANGGTIVYEG-UHFFFAOYSA-N 356.330 3.282 10 1 FGCF Oc1cc(O)c2c(c1)C[C@@H]1c3cc(O)c(O)cc3[C@H]2c2cc(O)cc(O)c21 197358280 HIBXGILQLLDYCG-GTJPDFRWSA-N 364.353 3.102 10 1 FGCF COc1cc2c(cc1O)[C@@H]1Cc3c(Cl)cc(OC)c(O)c3CN1CC2 13816649 FSTTXJSRXUIERA-HNNXBMFYSA-N 361.825 3.424 10 1 FGCF Cc1cc(N(C)C)cc(C)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962923031 LVIDSRMRSWMLLD-OAQYLSRUSA-N 351.494 3.306 10 1 FGCF Oc1ccc(Br)cc1CN1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100672521 HNVUJOILHPMUKN-CKEIUWERSA-N 365.315 3.461 10 1 FGCF COc1cc(OC)c2c(=O)c(C)c(-c3ccc(O)c(O)c3)oc2c1OC 13822651 FYXDJSGCPMQPLO-UHFFFAOYSA-N 358.346 3.205 10 1 FGCF Cc1cc2c(cc1C)C(=O)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 957747943 WYGAKPCNFVSJER-OAQYLSRUSA-N 351.402 3.495 10 1 FGCF COc1cc(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC 64373094 NJUMGXRDWXQICJ-INIZCTEOSA-N 355.438 3.217 10 1 FGCF O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12NN=C(c1ccccc1)S2 28824723 XKJIGXZSAWKITI-HNNXBMFYSA-N 365.336 3.388 10 1 FGCF CCN(CC)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O 299834333 SLAOYFRLXVHJBU-UHFFFAOYSA-N 368.414 3.329 10 1 FGCF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149630694 SCIRBMWPIWYCRN-OAHLLOKOSA-N 366.461 3.129 10 1 FGCF O=C(O)CC[C@H](N/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)O 50647909 PTPDWQVPUIUAQE-HNNXBMFYSA-N 367.365 3.136 10 1 FGCF CC[C@@H]1CN2C[C@H]3c4c(n(C)c5cc(OC)ccc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356570991 BYRMZXJJASKUPM-YAKMLFLQSA-N 368.477 3.476 10 1 FGCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CC(C)=O)cc1 28950934 LAOLHENCGGARHE-OAHLLOKOSA-N 355.390 3.398 10 1 FGCF CCc1ccc(O)c([C@@]2(CCC(=O)O)NCCc3c2c(C(C)C)nn3C)c1 962913101 BHPWNBKQSNGODB-OAQYLSRUSA-N 371.481 3.066 10 1 FGCF Oc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1O 962998824 QLWRXAMSEHLGPQ-KRWDZBQOSA-N 354.431 3.408 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(=N)[nH]cc3[nH]1)[C@H]1CC=C[C@@H]21 587276886 OOFWLWSFSXADSS-SOZUMNATSA-N 362.393 3.414 10 1 FGCF Cc1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1/N=N\c1ccccc1 169325500 XPYGCIDJTGXMIH-ZCXUNETKSA-N 358.379 3.136 10 1 FGCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN3CCOCC3)c2)c(F)c1 1857572503 PYSXWMKCQAIWTC-CQSZACIVSA-N 373.424 3.307 10 1 FGCF CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)c(O)c1 2356411121 IFDFRKMAIZPCHC-MOPGFXCFSA-N 374.433 3.052 10 1 FGCF COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3ccc(C)cn3c1C2=O 84687721 UYFFTHUFOIGOJE-UHFFFAOYSA-N 367.382 3.074 10 1 FGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1O 587610650 QZBLZEVGGMEESC-YWZLYKJASA-N 366.325 3.212 10 1 FGCF Cc1cc2c(O)nc(CSC(=S)NCc3ccncc3)nc2s1 1857749934 MQSQGMQUNNAWET-UHFFFAOYSA-N 362.505 3.408 10 1 FGCF CCCn1c(O)c(N=NC(=O)CNC(=O)c2ccncc2)c2ccccc21 253979183 DTSAAMYTWHBKHE-UHFFFAOYSA-N 365.393 3.192 10 1 FGCF CC(C)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 64447501 LYMSWBFVESOLER-UHFFFAOYSA-N 356.330 3.138 10 1 FGCF Cc1cc(I)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 33837905 JMRRIKROUNXRLA-MWODSPESSA-N 355.175 3.138 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(O)cc2O)N1 587823948 XTSZYZCJFGAVCL-GYKQLYQFSA-N 368.202 3.329 10 1 FGCF COc1cc(/C=C/C(=O)OCCCc2cc(O)c(O)c(OC)c2)ccc1O 14818068 ATCFJKWWRHDBNY-SOFGYWHQSA-N 374.389 3.010 10 1 FGCF Oc1ccc(Br)cc1CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19791426 HNVUJOILHPMUKN-VBQJREDUSA-N 365.315 3.461 10 1 FGCF O=C(O)c1cc(C(=O)O)c2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1 3828933 PAZPRLRICKPVGA-HNQUOIGGSA-N 351.314 3.213 10 1 FGCF O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1O 58487818 BROATALYKKCFLA-SFHVURJKSA-N 354.431 3.187 10 1 FGCF CCCC(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 64235742 QAQYIJAYWUFWCM-UHFFFAOYSA-N 356.330 3.282 10 1 FGCF COc1cc(O)c(-c2noc3c2C(=O)c2ccccc2C3=O)cc1Cl 84710161 ICZWKQSBKIORES-UHFFFAOYSA-N 355.733 3.485 10 1 FGCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)cc(Cl)c2O)N1 963231941 SJDXZZDLINUDJW-DLBZAZTESA-N 372.783 3.421 10 1 FGCF COc1cc2c(cc1OC)N(C)[C@H]1c3[nH]c4ccccc4c3CCN1C2=O 95555526 FOKWIQLWBZUQGV-HXUWFJFHSA-N 363.417 3.332 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)ncnc3[nH]1)[C@H]1CC=C[C@@H]21 587277286 SDJOJNIRUNLGMZ-SUNKGSAMSA-N 364.365 3.102 10 1 FGCF CCn1c(O)c(/N=N\C(=O)CNC(=O)Cc2ccccc2)c2ccccc21 102682356 QMWSLXMOYNMEJK-FCQUAONHSA-N 364.405 3.336 10 1 FGCF CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1 2356411122 IFDFRKMAIZPCHC-OALUTQOASA-N 374.433 3.052 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@H]3CC[C@@H]12 34801241 VYFIQXXVEPQANM-LABUREHVSA-N 357.498 3.336 10 1 FGCF Cc1nc(/N=N/c2ccc(C(=O)O)cc2)c(CCC(=O)O)c(C=O)c1O 96258387 UWCDFHGYLDKCRS-FMQUCBEESA-N 357.322 3.039 10 1 FGCF COc1cc(N=Nc2cccc(S(N)(=O)=O)c2)c2ccccc2c1N 253921175 SWMNSABUWYKPAU-UHFFFAOYSA-N 356.407 3.493 10 3 FGCF Oc1c(Cl)cc(Cl)cc1CN1CCC(N2CCC(O)CC2)CC1 95592477 MDHZNGWVRKISTO-UHFFFAOYSA-N 359.297 3.120 10 1 FGCF Cc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Cl 586948582 JONZAYXLWZQCFE-UHFFFAOYSA-N 351.815 3.269 10 1 FGCF CC(C)(O)CCc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(O)c3OC[C@@H]21 31161241 JZAOILYZTLYIEL-SCLBCKFNSA-N 358.390 3.117 10 1 FGCF biogenic Cc1cc(O)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(C)c1Cl 963548519 GKDIYUFRCJMQRF-KPZWWZAWSA-N 361.825 3.365 10 1 FGCF C[C@@]1(c2ccc(F)cc2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969490 FOZFVLOSAMUHFH-PXAZEXFGSA-N 371.742 3.325 10 1 FGCF COc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc2ccccc12 13782017 ATZPMUMDANJOTG-JYRVWZFOSA-N 359.428 3.134 10 1 FGCF O=C(O)[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@@H]21 62241717 UFZHQEXDMZQDGA-QIIPPGSGSA-N 355.415 3.058 10 1 FGCF [N-]=[N+]=NC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224465 CKXIOHUFJGAAFO-ICSRJNTNSA-N 359.389 3.388 10 1 FGCF O=C(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1cc(F)cc(F)c1 45301802 AREBTOFTCGAULE-GOSISDBHSA-N 360.404 3.455 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)cc2O)N1 587824014 YCHBBSJANUUIFM-GYKQLYQFSA-N 368.202 3.329 10 1 FGCF CN(CCc1ccc(O)c(O)c1)C(=S)NCCc1ccc(Cl)cc1 1857557086 WNLGMVHWBPPXMH-UHFFFAOYSA-N 364.898 3.343 10 1 FGCF O=C(N[C@H]1CCN(Cc2ccccc2O)C1)c1cccc(C(F)(F)F)c1 45302930 IUWKICZXGNQSDM-INIZCTEOSA-N 364.367 3.415 10 1 FGCF COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1 40846878 WPMBIMXWTHXWHN-UHFFFAOYSA-N 363.461 3.418 10 1 FGCF in-vitro CCn1c(-c2ccccc2)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 103218895 UMHIVSJXOSHKON-UHFFFAOYSA-N 359.385 3.078 10 1 FGCF COc1ccc2c(ccc3nc4cccc(C(=O)NCCN(C)C)c4nc32)c1 27843707 GICSPTVTMVUSFH-UHFFFAOYSA-N 374.444 3.236 10 1 FGCF NCc1cc(Cc2cc3c(c(Cl)c2Cl)O[C@@H](CO)C3)ccc1O 27656255 DZQQNRPSVYQNSL-CYBMUJFWSA-N 354.233 3.044 10 1 FGCF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c([C@H]3CCCCN3)c(O)c21 1772626883 RQNJYLAXYNNQTG-CJNGLKHVSA-N 355.390 3.325 10 1 FGCF Oc1ccc(-c2cnccn2)cc1CN1CCN(C2CCCCC2)CC1 20206343 CWFGLVQTEWXCAD-UHFFFAOYSA-N 352.482 3.300 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(O)c2)N1 587822344 NEAJEUUOGYKQOG-KWKYVRJSSA-N 368.202 3.329 10 1 FGCF NC(=S)/N=N/c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12 13471553 ZMSPWVPXMXCSNS-FZFLATATSA-N 352.375 3.392 10 1 FGCF CC(C)=CCc1c(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc(O)c1O 14648314 UPHQJHPCLIJWKZ-UHFFFAOYSA-N 370.357 3.497 10 1 FGCF biogenic CN1C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(O)c1O 653840647 XTVJALVBRJQVFU-JYRVWZFOSA-N 360.822 3.356 10 1 FGCF CC[C@@]1(c2cc(Cl)ccc2O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522030 DOXLKMORTMPKSV-LIRRHRJNSA-N 361.825 3.312 10 1 FGCF COc1cc(O)c2c(c1Br)C(=O)N1c3ccccc3CO[C@@H]21 28951031 DJFYHYMMFASLRF-INIZCTEOSA-N 362.179 3.353 10 1 FGCF O=[N+]([O-])C(/N=N/c1ccccc1)=C1\NCCN1Cc1ccc(Cl)nc1 103201105 CBVNOVOMBDQCFB-YZORZNRUSA-N 358.789 3.327 10 1 FGCF CC(C)(O)[C@@H]1CC[C@@](C)(C=CC=C2C=C(c3cc(O)ccc3O)OC2=O)O1 2356325644 ZCBZIKUEIKEDHK-GHTZIAJQSA-N 372.417 3.187 10 1 FGCF C[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)C=[N+]=[N-])c1ccccc1 28009592 WCKHIXJEUUOWGC-RXVVDRJESA-N 362.477 3.273 10 1 FGCF COc1c(O)c(-c2ccc(O)c(O)c2)cc(O)c1-c1ccc(O)c(O)c1 31166471 BJTLZVVRDMGJSR-UHFFFAOYSA-N 356.330 3.263 10 1 FGCF biogenic O=C1Nc2ccc(OC(F)(F)F)cc2[C@]12NN=C(c1ccccc1)S2 28824722 XKJIGXZSAWKITI-OAHLLOKOSA-N 365.336 3.388 10 1 FGCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CC(C)=O)cc1 28950932 LAOLHENCGGARHE-HNNXBMFYSA-N 355.390 3.398 10 1 FGCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CF)cc3)C2)cc1 142345913 SHOZCEYORWTAHX-HNNXBMFYSA-N 372.440 3.500 10 1 FGCF NC(=O)C1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1 103262348 TUGRBQOPMQPTAJ-UHFFFAOYSA-N 364.445 3.427 10 1 FGCF CCN(CC)CCC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O 72105101 LKGDMNDMBWVCNY-UHFFFAOYSA-N 356.447 3.194 10 1 FGCF COc1cc2c(O)c3c(c(-c4ccc(O)c(O)c4)c2cc1OC)C(=O)OC3 14640963 HLEXVJXFASWAOK-UHFFFAOYSA-N 368.341 3.311 10 1 FGCF biogenic CC(=O)Oc1cccc2c1C(=O)c1c(oc3c1c(=O)oc1ccccc13)C2=O 1857749377 KOQXLTXMVDYQRF-UHFFFAOYSA-N 374.304 3.240 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)CO[C@@H](c4c3n(C)c3ccccc43)[C@H]21 2356551681 NYKBMPZVJCLGAM-ZXYNRBIRSA-N 364.445 3.114 10 1 FGCF O=C(COc1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299834058 RGPFFNARULGAIG-UHFFFAOYSA-N 364.378 3.491 10 1 FGCF CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1O 963233045 SXJRQHAAMMODTO-HKUYNNGSSA-N 364.401 3.027 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)CO[C@@H](c4c3n(C)c3ccccc43)[C@H]21 2356551678 NYKBMPZVJCLGAM-LAURRBGBSA-N 364.445 3.114 10 1 FGCF CN(C)CCCCCNC(=O)c1cccc2c(N)c3ccccc3nc12 5957561 PXZHSEIBJJZHPY-UHFFFAOYSA-N 350.466 3.432 10 1 FGCF Cc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@H](c3ccccc3O)C2)cc1 299870313 WCCKXURKUGUEMH-IBGZPJMESA-N 360.417 3.275 10 1 FGCF COc1cccc2c1C(=O)c1c(c(O)c3cc([C@H](C)O)ccc3c1O)C2=O 6030351 GXNBQMKESQAVQC-VIFPVBQESA-N 364.353 3.088 10 1 FGCF biogenic,in-vitro O=C(NCc1ccccc1O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1 53294850 XXJUNPNRDXNZLA-UHFFFAOYSA-N 356.328 3.160 10 1 FGCF CC(=O)N1CCN(c2ccc([C@@H]3NCCc4ccc(F)c(C)c43)cc2)CC1 962375696 OQKVBIFFIAZIOR-QFIPXVFZSA-N 367.468 3.038 10 1 FGCF CCn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 102595954 HYCKWSNTBNESQG-VABNVEPGSA-N 366.377 3.400 10 1 FGCF Cc1ccnc2c1CCN[C@@H]2c1cc(Br)c(F)c(F)c1O 963075506 SGOIVUHHSKUBQT-CQSZACIVSA-N 355.182 3.371 10 1 FGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(CO)c3)[nH]c21 586894670 ATYUKWYVTGNYBI-UHFFFAOYSA-N 354.365 3.498 10 1 FGCF NC(=S)/N=N\c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12 102754963 ZMSPWVPXMXCSNS-MVZUJROASA-N 352.375 3.392 10 1 FGCF COc1cc(O)c([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963643631 ZZUJSDVZMKVJPT-GIPWTMENSA-N 359.422 3.050 10 1 FGCF O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccc(C(F)(F)F)cc1 64453944 QIUNEKHJCQVTGS-UHFFFAOYSA-N 353.268 3.490 10 1 FGCF O=C(OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1 103235118 MSPWCCZZOGHZHE-UHFFFAOYSA-N 374.348 3.230 10 1 FGCF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1c(O)cccc1C(=O)O 28374673 ZNYCEFWVYJWNGQ-VLGSPTGOSA-N 361.810 3.438 10 1 FGCF COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2C=O)cc(O)c1O 14488501 FJJBSMAMHGBNBY-UHFFFAOYSA-N 372.373 3.266 10 1 FGCF biogenic O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)cc(Cl)c2O)N1 963231945 SJDXZZDLINUDJW-IRXDYDNUSA-N 372.783 3.421 10 1 FGCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1[C@]3(CCC[C@]1(C)C(=O)O3)C2 14816967 MENXOAAQJIIUMB-OUWQEXSBSA-N 360.406 3.158 10 1 FGCF biogenic Oc1ccc(Br)cc1CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19791425 HNVUJOILHPMUKN-JJRVBVJISA-N 365.315 3.461 10 1 FGCF S=C(NCc1cccnc1)SCCc1nnc(-c2ccccc2)o1 653713056 YGLAYNVCLKDSMG-UHFFFAOYSA-N 356.476 3.482 10 1 FGCF O=C(CCSC(=S)NCc1cccnc1)c1cnn2ccccc12 1857581421 QMUGQVZOIOLVAA-UHFFFAOYSA-N 356.476 3.110 10 1 FGCF Nc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862158 HIBAKABFMSYTTR-UHFFFAOYSA-N 359.381 3.168 10 1 FGCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2c[nH]c3ccccc23)N1 103072578 OLIZELSPPAVOEM-MRXNPFEDSA-N 357.369 3.459 10 1 FGCF Oc1ccc(CCNCCCCNCCc2ccc(Cl)cc2)cc1O 45227083 ONZYHIXNJGLUAE-UHFFFAOYSA-N 362.901 3.496 10 1 FGCF Cc1cc(Br)cc([C@@H]2NCCc3c(C(=O)O)cccc32)c1O 963151118 RCBONJNAHFMUIO-OAHLLOKOSA-N 362.223 3.396 10 1 FGCF Cc1cc(/N=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c(N)cc1O 1857748818 IESLBYCGJBPZMV-FMQUCBEESA-N 360.439 3.483 10 1 FGCF CC(C)(C)C(=O)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 95603033 YXOOZGJSAONFOL-UHFFFAOYSA-N 353.470 3.146 10 3 FGCF CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])c2cccnc2c1O 95593030 ZNTKJJURHLGSLU-HIFRSBDPSA-N 373.409 3.060 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3cccnc3)=NC2=O)o1 28816678 FTQZXJLUWNYLDA-QVTJDRNWSA-N 371.418 3.013 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1ccccc1Cl 103287764 OHIUXRRKDCTHGN-UKRRQHHQSA-N 374.736 3.304 10 1 FGCF O=C1c2ccccc2C(=O)c2c(O)cc(OCCCN3CCCCC3)cc21 72180239 CNVYJRSAJLDCNS-UHFFFAOYSA-N 365.429 3.422 10 1 FGCF CC(=O)O[C@H]1[C@H]2[C@H](C)OC[C@H]3[C@H]2C[C@H]2c4c(c5ccccc5n4C)C[C@H]3N21 2356336480 NIVGFWXFJATDQP-MMCXSDKISA-N 366.461 3.020 10 1 FGCF C[C@]1(c2ccc(F)cc2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969497 FOZFVLOSAMUHFH-SJKOYZFVSA-N 371.742 3.325 10 1 FGCF O=C(Cn1ccnc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 299856437 BXLGCBHOKHUXFM-SFHVURJKSA-N 364.380 3.106 10 1 FGCF CO[C@]12C=C(c3ccc(O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O 96934676 XQMYAZMXKADSPO-XMSQKQJNSA-N 357.365 3.418 10 1 FGCF CC(C)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 96929295 DPYXRQRKNCJDAN-XBXARRHUSA-N 356.378 3.050 10 1 FGCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963643633 ZZUJSDVZMKVJPT-YBTHPKLGSA-N 359.422 3.050 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(O)cc2O)N1 587823928 XHZPJAYIXGSKJF-VGDKGRGNSA-N 368.202 3.329 10 1 FGCF O=C1c2nccc(Cl)c2C(=O)c2c(-c3ccccc3[N+](=O)[O-])ccnc21 26959768 HYARGZOCQYEIQS-UHFFFAOYSA-N 365.732 3.481 10 1 FGCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccc(F)c2O)N1 962956916 LRQYJIJIMHUCDF-FZMZJTMJSA-N 357.715 3.151 10 1 FGCF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccc(N(C)C)cc1 82204260 COEKGGBZUOFUBP-HOTGVXAUSA-N 355.486 3.077 10 1 FGCF C[C@H](C(=O)/N=N/c1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 101694794 LHOXSRALUUOLKB-CXPUHZOYSA-N 361.361 3.455 10 1 FGCF C[C@H](CO)CCC[C@H](CO)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 14763677 HGCXADJLVLRMJH-DGAVXFQQSA-N 366.454 3.184 10 1 FGCF biogenic CCOP(=O)(OCC)C1=NN(CC)C2(C1)C(=O)c1ccccc1C2=O 40918233 GNUYBNRPOODQKF-UHFFFAOYSA-N 364.338 3.110 10 1 FGCF C[C@H](CCC(=O)O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587962686 IOAPTXVGYIPXPC-LLVKDONJSA-N 362.385 3.382 10 1 FGCF C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3ccc(N)cc3)[C@@H]2CC1 40933068 FLEBOCJBEJXTTK-LQMUIWBZSA-N 370.493 3.194 10 1 FGCF NC(=S)/N=N/c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12 13471556 ZMSPWVPXMXCSNS-CVTQAYBASA-N 352.375 3.392 10 1 FGCF Nc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 204958418 QRIZIGNSNQSURC-UHFFFAOYSA-N 359.311 3.084 10 1 FGCF COc1ccc2ccc3nc4cccc(C(=O)NCCN(C)C)c4nc3c2c1 27849799 FZSJNRJJRLRTOO-UHFFFAOYSA-N 374.444 3.236 10 1 FGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)CC2=O 587472353 HCHGHMBLPWOUGS-MRXNPFEDSA-N 359.334 3.371 10 1 FGCF COc1cc2cc(/C=C3\SC(=S)NC3=O)c(Cl)nc2cc1OC 169350385 UQWDAPJLRHIRMZ-XGICHPGQSA-N 366.851 3.394 10 1 FGCF CCCN(CCCc1ccc(O)c(O)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857589158 YBQDTFTUENERQZ-AWEZNQCLSA-N 361.511 3.169 10 1 FGCF CCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21 101911822 DTSAAMYTWHBKHE-GHVJWSGMSA-N 365.393 3.192 10 1 FGCF COc1ccc2nc3ccccc3c(NCCN3CCN(C)CC3)c2c1 45188966 GDBKVJONIGRONW-UHFFFAOYSA-N 350.466 3.056 10 1 FGCF O=C(/C=C/c1cccnc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58580950 JEQUFOMACVFUTB-ONEGZZNKSA-N 365.216 3.398 10 1 FGCF CN1CCc2cc(SCCC(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 72105987 WJDARRQQNQNTEX-OAHLLOKOSA-N 371.458 3.417 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnnc(O)c3[nH]1)[C@H]1CC=C[C@H]21 587277299 SLRAZIACJIHRPL-PGUXBMHVSA-N 364.365 3.102 10 1 FGCF C[N+](C)(C)CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 34094820 JPTVXMVUBZXIEM-UHFFFAOYSA-N 350.394 3.293 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(O)c2O)N1 587824223 YYALZJJNUXJREX-WJWGPLDTSA-N 368.202 3.329 10 1 FGCF CCN1CCCc2cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)ccc21 963467970 HVYKGAMCQYIHGE-UWJYYQICSA-N 366.461 3.161 10 1 FGCF COc1cc(C[C@H](NC(C)C)c2ccc(O)c(O)c2)cc(OC)c1OC 169330772 SEFPKTNWYNTCKH-HNNXBMFYSA-N 361.438 3.405 10 1 FGCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@@H](C2)N(C)C[C@H]3OC 2356331571 ZWSNXMWHYIBIJA-CXAGYDPISA-N 357.406 3.012 10 1 FGCF Cc1ccc2c(ccc3nc(-c4cc(NS(C)(=O)=O)ccc4O)[nH]c32)n1 586948662 RKCSEIFFUASIFA-UHFFFAOYSA-N 368.418 3.164 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)c(Br)c1)O2 587376673 JVPGLAYBNFHDGM-AWEZNQCLSA-N 364.195 3.457 10 1 FGCF COc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc(O)c1O 587784995 GRPLYUYRSWQCTP-IHWYPQMZSA-N 362.183 3.311 10 1 FGCF CC1=CCc2c(cc(O)c(C(=O)CCc3ccc(O)c(O)c3)c2O)OC1 13459842 AXGYKHNRECRNBN-UHFFFAOYSA-N 356.374 3.206 10 1 FGCF biogenic CN(CCCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)CC(=O)O 28571488 PGFXNGZNBLGDSK-UHFFFAOYSA-N 365.429 3.190 10 1 FGCF Cc1cc2c(cc1O)[C@H](c1ccc(N3CCCC3)c(C)c1)N[C@H](C(=O)O)C2 963474002 UJJADZSJBZLWPU-RXVVDRJESA-N 366.461 3.298 10 1 FGCF CCCc1ccc2c(c1)NC(=O)[C@@]21NN=C(c2ccc(OC)cc2)S1 28824743 HBXVEQHRTCDTPV-LJQANCHMSA-N 353.447 3.451 10 1 FGCF COc1cccc(CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1O 12315563 ZQQIAIVPKXZZLL-OAHLLOKOSA-N 369.417 3.224 10 3 FGCF CCc1ccc(/C=C2\SC(N[C@H](Cc3ccccc3)C(=O)O)=NC2=O)o1 28816658 GGIRHARUGMTMMH-DFSFMLJYSA-N 370.430 3.098 10 1 FGCF CC(=O)[C@@H]1[C@H](C)OC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356351867 HDWJJWIIAAZFAK-ZBBRIMCGSA-N 352.478 3.336 10 1 FGCF COc1ccc(/C=C/c2oc3c(O)c(O)ccc3c(=O)c2O)cc1OC 653894778 FCSJKORUYCAEPK-XBXARRHUSA-N 356.330 3.097 10 1 FGCF O=C(c1ccc(O)c(O)c1)c1cc2cc(Br)ccc2oc1=O 96916905 IQRWWPFBSDVPMZ-UHFFFAOYSA-N 361.147 3.198 10 1 FGCF COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2 14715497 ONWMFADVKAKDCA-HNNXBMFYSA-N 371.433 3.082 10 1 FGCF biogenic C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587961306 DUQVWQJUIMBDDR-RYUDHWBXSA-N 358.397 3.496 10 1 FGCF COC(=O)C[C@H](C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587785388 NZBVCDZTJSJNJE-LLVKDONJSA-N 362.385 3.080 10 1 FGCF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3O)ccc12 96905449 ZHXCMKWXKKRZTA-IBGZPJMESA-N 352.415 3.321 10 1 FGCF O=C1C=CC[C@H](/C=C/c2ccccc2)N1C(=O)CCc1ccc(O)c(O)c1 299837885 SLPNRXQIGPBIGF-ZPHJMFTNSA-N 363.413 3.428 10 1 FGCF Oc1[nH]c2ccc(Br)cc2c1/N=N\C(=S)N1CCOCC1 18107127 UVTGFBZARMYBIL-MSUUIHNZSA-N 369.244 3.337 10 1 FGCF COc1ccc(C(=O)C(=O)c2ccccc2C(=O)N2CCCCC2)cc1 26253532 MRFZZXCPDYSCDF-UHFFFAOYSA-N 351.402 3.387 10 1 FGCF O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccc2c(c1)OCO2 26184530 SBSCUNNVEMZXLV-UHFFFAOYSA-N 365.385 3.107 10 1 FGCF CCCOC(=O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29553826 KXCIFOJEZYZXIO-UHFFFAOYSA-N 360.498 3.080 10 1 FGCF Cn1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 299813286 GSXPDBXOAVCZQQ-UHFFFAOYSA-N 351.288 3.410 10 1 FGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccnc2)cc1 1911578789 MWAIGOGQXDFXBZ-UHFFFAOYSA-N 352.353 3.105 10 1 FGCF O=C(Oc1cccc(O)c1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735453 NBSOGEPSWSTCKZ-UHFFFAOYSA-N 367.357 3.340 10 1 FGCF CCCCC=Cc1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 2356483658 RTXQNGWQTJTHCK-UHFFFAOYSA-N 354.358 3.488 10 1 FGCF CN1C(=O)/C(=C/Nc2ccc3cc4ccccc4cc3c2)C(=O)NC1=S 1772622494 DNYGQPVBGFKVAD-GZTJUZNOSA-N 361.426 3.162 10 1 FGCF C[C@H](O)[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2=O 2356564351 LYDXJYXBBJDDSG-YGFRWMFUSA-N 362.466 3.223 10 1 FGCF C[C@@]1(c2ccc(F)cc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969494 FOZFVLOSAMUHFH-SJCJKPOMSA-N 371.742 3.325 10 1 FGCF CCOc1ccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(O)c1C 963037969 ZBSJUIULYDEYRH-RCDICMHDSA-N 366.461 3.416 10 1 FGCF O=C1OC[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 116195350 NZICRTJYORZSDU-LJQANCHMSA-N 364.405 3.097 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3O)oc12 71281749 LXDCTBWIZNOCJO-UHFFFAOYSA-N 370.357 3.497 10 1 FGCF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)c(O)cc3c21 13372378 BJIPXXAEQIWODL-UHFFFAOYSA-N 357.325 3.250 10 1 FGCF biogenic CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 586948248 MIGDRLXTJYVIHD-UHFFFAOYSA-N 357.435 3.186 10 1 FGCF COc1cc2c(cc1OC)C(=O)CCc1cc3c(cc1N(C)CC2)OCO3 238776708 RHJBGPMDJNBXPF-UHFFFAOYSA-N 369.417 3.240 10 1 FGCF COc1cccc(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1O 12315564 ZQQIAIVPKXZZLL-HNNXBMFYSA-N 369.417 3.224 10 3 FGCF C[C@H](C(=O)/N=N\c1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 13125310 LHOXSRALUUOLKB-CXQCFCFKSA-N 361.361 3.455 10 1 FGCF CN(C)CCCCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 13743897 KEVIJPFNAZWWIS-FQEVSTJZSA-N 354.494 3.430 10 1 FGCF Cn1cc(C(=O)CCSC(=S)NCc2cccnc2)c2cccnc21 1857615695 BPJAPWGRYGHOCQ-UHFFFAOYSA-N 370.503 3.349 10 1 FGCF CC(C)OC(=O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29556643 VSDBKYLHJBRVDG-UHFFFAOYSA-N 374.525 3.468 10 1 FGCF Cc1sc2c(c1C)CCN[C@]21C(=O)N(CCN=[N+]=[N-])c2ccccc21 963029172 RCSGCBYTMGLFIH-SFHVURJKSA-N 353.451 3.411 10 1 FGCF COc1ccc(C[C@@H](NC(C)=O)c2ccc3cccnc3c2O)cc1OC 89469096 BCSRBRCWBCQNPD-QGZVFWFLSA-N 366.417 3.378 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 103287910 BLDHJEUAUYXHGB-CABCVRRESA-N 374.736 3.304 10 1 FGCF C[n+]1c2ccccc2c(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 169334189 BLOQQXNJVUXQOE-UHFFFAOYSA-O 364.450 3.209 10 1 FGCF CCOc1ccc(C/N=N/c2cc(N3CCOCC3)nc(C)n2)c(O)c1 169689048 MLYWCJOXQUWBLE-ZBJSNUHESA-N 357.414 3.010 10 1 FGCF O=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)c1ccc(O)c(O)c1 26735328 VDIXUKHYPFIJBP-UHFFFAOYSA-N 374.396 3.145 10 1 FGCF Oc1[nH]c2ccc(Br)cc2c1N=NC(=S)N1CCOCC1 253989112 UVTGFBZARMYBIL-UHFFFAOYSA-N 369.244 3.337 10 1 FGCF COc1cc(CCCOC(=O)C=Cc2ccc(O)c(O)c2)cc(OC)c1O 2356576326 WHBFQWYWOVTRCA-UHFFFAOYSA-N 374.389 3.010 10 1 FGCF Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc2cc(O)c(O)c(O)c2)c1 140490736 NRMNNOQYXSDYMN-UHFFFAOYSA-N 374.301 3.210 10 1 FGCF CN(C)c1ccc2c(c1)NC(=O)[C@@]21NCCc2c(Cl)cc(Cl)cc21 963117068 CGZAXZVQQRORQE-GOSISDBHSA-N 362.260 3.401 10 1 FGCF O=C(O)c1cc(O)c(O)c(-c2ccc(/C=C3\SC(=S)N=C3O)o2)c1 40424832 HXQWMFNNLUEWLI-WZUFQYTHSA-N 363.372 3.385 10 1 FGCF CCCc1ccc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963526218 NUTWXMWMMMJNDG-HRAATJIYSA-N 355.434 3.221 10 1 FGCF [N-]=[N+]=NC[C@H]1OC[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 17258114 IXUXOCVYBHXBOU-MTQWCTHYSA-N 369.421 3.227 10 1 FGCF Cc1ccc(-n2c(O)c(C/N=N/c3ccccc3)c(=O)[nH]c2=O)cc1C 169689342 HIJKYTCFIFBJOX-LSDHQDQOSA-N 350.378 3.132 10 1 FGCF CCCNC[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 45497456 FCMJOIPJZWFLKL-HXUWFJFHSA-N 354.494 3.379 10 1 FGCF O=C(O)CCCc1nc2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O 1855968 HYNSOUHCJZAKOT-UHFFFAOYSA-N 360.369 3.055 10 1 FGCF CC1=CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)CC3=O)OC1 2356420135 PUPFAZBGSLFJGJ-QGZVFWFLSA-N 354.358 3.391 10 1 FGCF COc1ccc(OC)c([C@H](O)[C@H](C)NCc2cc(Cl)ccc2O)c1 45191173 XVLOPOLQURRPGC-BBATYDOGSA-N 351.830 3.275 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(=N)[nH]cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276883 OOFWLWSFSXADSS-FMTVUPSXSA-N 362.393 3.414 10 1 FGCF COc1cc(NS(=O)(=O)Nc2c(F)cccc2F)c2ncccc2c1 205634259 LACOCWQTDRBFKD-UHFFFAOYSA-N 365.361 3.290 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(CC(N)=O)c3ccccc13)O2 587388982 CQCILLBIVKFRAM-GOSISDBHSA-N 363.417 3.032 10 1 FGCF Cc1cc(N(C)C)cc(C)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962923028 LVIDSRMRSWMLLD-NRFANRHFSA-N 351.494 3.306 10 1 FGCF Oc1cc(O)c2c(c1)[C@H]1Cc3c(O)cc(O)cc3[C@@H]2c2cc(O)c(O)cc21 13384044 FCLAOALFOOHMFS-WVDJIFEKSA-N 364.353 3.102 10 1 FGCF biogenic,in-vitro CC(C)CCNS(=O)(=O)c1ccc2[nH]c(O)c(/N=N/C(=N)S)c2c1 103967054 LIKDSVCULCQDDK-VHEBQXMUSA-N 369.472 3.146 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1cccc(Cl)c1 103287757 YLZBGPXHBURJCU-CABCVRRESA-N 374.736 3.304 10 1 FGCF C[C@]1(COc2ccc(N3CCCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 34086760 JCZNXGBEHBGSOI-GOSISDBHSA-N 358.398 3.012 10 1 FGCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NC(N)=O)CCCC(C)(C)[C@@H]1CC2 1857612170 RLETVSYSZCUZFD-LHSJRXKWSA-N 374.481 3.426 10 1 FGCF CC1(C)C=Cc2c(cc(O)c3c2OC[C@@H](c2ccc(O)c(O)c2)C3=O)O1 2356737226 DTQQADBACAMCDE-LBPRGKRZSA-N 354.358 3.347 10 1 FGCF CN1CCCC[C@@H]1c1c(O)cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1O 2356329420 DRAZRISCPQMUES-UONOGXRCSA-N 369.417 3.065 10 1 FGCF Cc1cc(=O)oc2c(C3=NN[C@@H](c4cccc([N+](=O)[O-])c4)C3)c(O)ccc12 84651998 NGPKCKNLSIBQKF-CQSZACIVSA-N 365.345 3.154 10 1 FGCF CCOC(=O)c1cnc2c(/N=N\c3cccc(Cl)c3)c(N)nn2c1N 18118569 KSNMBISZDFJVRR-MRCUWXFGSA-N 359.777 3.139 10 1 FGCF Cc1cc(N2CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822435 ZPEMVEMJOPVLNU-UHFFFAOYSA-N 367.357 3.012 10 1 FGCF CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)c(O)c1 238773887 IFDFRKMAIZPCHC-RTBURBONSA-N 374.433 3.052 10 1 FGCF COc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)cc(O)c1O 587786727 WBXDPGAUSJARMM-IHWYPQMZSA-N 362.183 3.311 10 1 FGCF FCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1 29134085 DCOWEWUTRNVNCR-UHFFFAOYSA-N 354.429 3.005 10 1 FGCF Oc1c(CN2CCCC2)cc(Nc2ncccn2)cc1CN1CCCC1 27890020 SWFFUVKQCRGRSP-UHFFFAOYSA-N 353.470 3.117 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 103287905 BLDHJEUAUYXHGB-HUUCEWRRSA-N 374.736 3.304 10 1 FGCF O=C(O)[C@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@@H]2C=CC[C@H]12 169294360 UFZHQEXDMZQDGA-YEWWUXTCSA-N 355.415 3.058 10 1 FGCF CC1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1 1330529 SUCCGCXLAVVJOL-SFHVURJKSA-N 356.518 3.315 10 3 FGCF CCc1ccc(N2C(=O)/C(=C/c3cccc(O)c3O)N(C)C2=S)cc1 653834970 MGHDQIPRNJXVBF-PTNGSMBKSA-N 354.431 3.265 10 1 FGCF C[C@@H](OC(=O)CCC(=O)O)c1cc2c(s1)C(=O)c1sccc1C2=O 28893928 XEHIFSCUIFGCRS-SSDOTTSWSA-N 364.400 3.054 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccccc1Cl 103287772 OHIUXRRKDCTHGN-ZFWWWQNUSA-N 374.736 3.304 10 1 FGCF [N-]=[N+]=NCCCCCOc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 40895311 DMUNOUHMCBIRDT-UHFFFAOYSA-N 368.401 3.022 10 1 FGCF CC(C)NC[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40391850 JUVWASPQEPNQTK-FQEVSTJZSA-N 354.494 3.377 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)cc2O)N1 587824015 YCHBBSJANUUIFM-HYORBCNSSA-N 368.202 3.329 10 1 FGCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccc(F)c2O)N1 962956909 LRQYJIJIMHUCDF-BXUZGUMPSA-N 357.715 3.151 10 1 FGCF CCCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21 101788800 IUHLQOXYSSDZNE-GHVJWSGMSA-N 365.393 3.192 10 1 FGCF CC[C@H]1CN2C[C@H]3c4c(n(C)c5cc(OC)ccc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356570988 BYRMZXJJASKUPM-LJTFRZGTSA-N 368.477 3.476 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1O 587610647 QZBLZEVGGMEESC-QRWLVFNGSA-N 366.325 3.212 10 1 FGCF NC(=S)/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12 18023433 SSZPXXTYGOWGSP-QZQOTICOSA-N 353.407 3.313 10 1 FGCF O=C1c2nccc(-c3ccccc3[N+](=O)[O-])c2C(=O)c2nccc(Cl)c21 1483694 RDKCBRISAKGWLU-UHFFFAOYSA-N 365.732 3.481 10 1 FGCF CC(=O)C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)c1ccccc1N2C 13304770 LZVQOTYGODQXSK-JOCHJYFZSA-N 359.429 3.448 10 1 FGCF biogenic CN1CCN(Cc2cc(CNC(C)(C)c3ccccc3F)ccc2O)CC1 473107734 JZODSHFDFQSTCO-UHFFFAOYSA-N 371.500 3.304 10 1 FGCF Cc1ccc(NC(=O)CCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27556177 DQEXBHQDTYKUIH-MGPUTAFESA-N 372.465 3.227 10 1 FGCF Cc1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1C(F)(F)F 1911579522 KKZRMSSUAYMMMK-UHFFFAOYSA-N 357.291 3.370 10 1 FGCF CCC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)CC)cc(C)cc1C2=O 40421240 IXWKQMFBJPOLJN-UHFFFAOYSA-N 366.369 3.401 10 1 FGCF biogenic CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 586948152 DHGACCSAXLSCCK-UHFFFAOYSA-N 355.778 3.100 10 1 FGCF COc1ccc(/C=C2\SC(c3ccc([N+](=O)[O-])c(O)c3)=NC2=O)cc1 84654875 SDEFMPKBVQYCMW-NVNXTCNLSA-N 356.359 3.370 10 1 FGCF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1cccc(O)c1O 2356330789 VBTFCYSOEPNMSX-USNOLKROSA-N 371.477 3.498 10 1 FGCF COc1ccc(N2CCN(CC[C@H]3c4ccccc4C(=O)N3C)CC2)cc1 29243697 JSGIEHICMIFPBV-NRFANRHFSA-N 365.477 3.034 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(O)c2)N1 587823824 WLHLFXUFMCSNRI-ZIDLFYJRSA-N 368.202 3.329 10 1 FGCF O=C(O)[C@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@@H]2C=CC[C@@H]12 195353370 UFZHQEXDMZQDGA-JOQOYGCGSA-N 355.415 3.058 10 1 FGCF CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1O 963233054 SXJRQHAAMMODTO-PKOBYXMFSA-N 364.401 3.027 10 1 FGCF CN1CCCC[C@H]1c1c(O)cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1O 69482286 DRAZRISCPQMUES-KBPBESRZSA-N 369.417 3.065 10 1 FGCF biogenic,in-vitro COc1ccc(NNC(=S)Nc2ccc(-c3nnc(S)o3)cc2)cc1 72173212 DWQRTAFZIFGEBU-UHFFFAOYSA-N 373.463 3.347 10 1 FGCF N#Cc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205055330 FNJXFCFTEPMACG-UHFFFAOYSA-N 369.306 3.374 10 1 FGCF CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 1857629452 QAGWEHWRYBCHRQ-UHFFFAOYSA-N 365.477 3.133 10 1 FGCF CN(C)S(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259263 BGURSONBQIEHHO-UHFFFAOYSA-N 350.448 3.226 10 1 FGCF CN(C)CCCOc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 27209753 RNHPMKOUEPUFEP-UHFFFAOYSA-N 355.390 3.202 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(O)c2)N1 587823818 WLHLFXUFMCSNRI-KWKYVRJSSA-N 368.202 3.329 10 1 FGCF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(O)c1O 587785264 JVCFUAFOCAWLEL-RQOWECAXSA-N 351.362 3.038 10 1 FGCF O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1O 64252028 BROATALYKKCFLA-GOSISDBHSA-N 354.431 3.187 10 1 FGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)cc1O 587612423 VGDHRIWZZZPEEG-PXNSSMCTSA-N 366.325 3.212 10 1 FGCF Cn1c(O)c(/N=N\C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 6413751 GSXPDBXOAVCZQQ-VXPUYCOJSA-N 351.288 3.410 10 1 FGCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)N(C)C[C@H]3OC 95099640 ZWSNXMWHYIBIJA-SUMWQHHRSA-N 357.406 3.012 10 1 FGCF biogenic,in-vitro Cc1c(Br)cnc2nc(-c3ccc(N(C)CCO)cc3)[nH]c12 587193276 WYKFLXOZNQIJIA-UHFFFAOYSA-N 361.243 3.124 10 1 FGCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@@H](C2)N(C)C[C@@H]3OC 2356331574 ZWSNXMWHYIBIJA-DYVFJYSZSA-N 357.406 3.012 10 1 FGCF CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc(O)c(O)cc4[C@@H]2C3=O)O1 95572253 ORGFYAOZMBVQHJ-MSOLQXFVSA-N 366.369 3.402 10 1 FGCF COc1cc(C[C@H](O)c2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OC 1857646357 CFZUEDBFWBOHJE-SFHVURJKSA-N 372.421 3.488 10 1 FGCF CC=C1CN2[C@H]3C[C@H]1[C@@H](C(=O)OC)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356485956 ZGOAABQSDQXUOB-PPRPKMEESA-N 366.461 3.224 10 1 FGCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C(F)(F)F)cc1 96917384 KHGBVFXCRKXKQP-BQYQJAHWSA-N 373.352 3.207 10 1 FGCF COc1ccc(OC)c([C@@H](O)[C@@H](C)NCc2cc(Cl)ccc2O)c1 45191170 XVLOPOLQURRPGC-ZMZPIMSZSA-N 351.830 3.275 10 1 FGCF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587961307 DUQVWQJUIMBDDR-VXGBXAGGSA-N 358.397 3.496 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@H]3CC[C@@H]12 34801239 VYFIQXXVEPQANM-KISGCSNESA-N 357.498 3.336 10 1 FGCF Cc1c(O)ccc2c1[C@@H](c1cccc(C(F)(F)F)c1O)N[C@H](C(=O)O)C2 963465236 AHRQYCYJLFWVDL-SWLSCSKDSA-N 367.323 3.113 10 1 FGCF Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/N=N/c1ccccc1C(=O)O 169729719 HWKKTOBJFNOHJN-VHEBQXMUSA-N 367.321 3.496 10 1 FGCF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2O)NC(=S)N1 96929761 UBSRTACYVMJHNG-SFHVURJKSA-N 367.474 3.441 10 1 FGCF CCn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 101759114 HYCKWSNTBNESQG-RHCBPBRXSA-N 366.377 3.400 10 1 FGCF [N-]=[N+]=NC[C@@H]1OC[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 17258105 IXUXOCVYBHXBOU-IYWMVGAKSA-N 369.421 3.227 10 1 FGCF O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3nc2Cl)SC1=S 1772584825 ABQUZFQVDFGVOL-WDZFZDKYSA-N 364.835 3.174 10 1 FGCF COc1ccc2ccc(OCC(=O)c3cc(O)c(O)c([N+](=O)[O-])c3)cc2c1 13585703 KRTZHGFBKNSFKI-UHFFFAOYSA-N 369.329 3.430 10 1 FGCF CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O 29348155 CTSWKPXBKVECMJ-UHFFFAOYSA-N 353.418 3.321 10 1 FGCF O=C(Cc1cccs1)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66252691 RDOABIAZOLNWOF-UHFFFAOYSA-N 350.399 3.390 10 1 FGCF Cc1cc(I)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 33837906 JMRRIKROUNXRLA-RWEMILLDSA-N 355.175 3.138 10 1 FGCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1cnccn1)=C2c1ccccc1 96934702 DDWFJEGFHQNUKG-NFBKMPQASA-N 368.392 3.482 10 1 FGCF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(O)c1O 587784709 CKCLYKOCUMKBAU-NSCUHMNNSA-N 362.288 3.475 10 1 FGCF Cc1ccc(NS(=O)(=O)c2cc3c(cc2N(C)C)CCC(=O)N3)cc1C 64631687 PNUCPERAJKCNDW-UHFFFAOYSA-N 373.478 3.055 10 1 FGCF COc1ccccc1CN1CCN(Cc2ccc3cccnc3c2O)CC1 1772634586 KIPWPJKDRADIRK-UHFFFAOYSA-N 363.461 3.267 10 1 FGCF CCN(CC)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(O)c1 962907088 SJLZJIKKGUKCLR-LPHOPBHVSA-N 358.413 3.066 10 1 FGCF CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1 2356411123 IFDFRKMAIZPCHC-RBUKOAKNSA-N 374.433 3.052 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(O)cc2O)N1 587823954 XTSZYZCJFGAVCL-VGDKGRGNSA-N 368.202 3.329 10 1 FGCF COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2C 66077368 RKMYUYQIMRIBDL-MRXNPFEDSA-N 351.410 3.274 10 1 FGCF Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12 27570034 ZPJRWICTQQZYDM-UHFFFAOYSA-N 364.445 3.489 10 3 FGCF NC(=S)N=Nc1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12 253981810 ZMSPWVPXMXCSNS-HNNXBMFYSA-N 352.375 3.392 10 1 FGCF CC(C)(C)n1nnnc1[C@H](c1ccccc1O)N1CCc2ccccc2C1 1772598464 IMRUQFXDMMRIQV-IBGZPJMESA-N 363.465 3.281 10 1 FGCF COc1c(-c2ccc(O)c(O)c2)cc(O)c(-c2ccc(O)c(O)c2)c1O 14721755 VKBPMLDNIWHWKC-UHFFFAOYSA-N 356.330 3.263 10 1 FGCF biogenic,in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(O)cc2O)N1 587823925 XHZPJAYIXGSKJF-GYKQLYQFSA-N 368.202 3.329 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnnc(O)c3[nH]1)[C@H]1CC=C[C@@H]21 587277301 SLRAZIACJIHRPL-ZETOZRRWSA-N 364.365 3.102 10 1 FGCF CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O 4472671 RMKGLERGVUKAJF-OBGWFSINSA-N 366.417 3.497 10 3 FGCF COc1ccc(N2CCOCC2)cc1[C@H](C)NC(=O)/C=C/c1ccccc1 26734521 NOAQHGWTJGRNNR-YRYLYKBFSA-N 366.461 3.422 10 1 FGCF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3O)ccc12 96905450 ZHXCMKWXKKRZTA-LJQANCHMSA-N 352.415 3.321 10 1 FGCF Cc1ccc([C@@H]2CNC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1Cl 1857543373 BAIUAAKFLNSOBN-RBUKOAKNSA-N 371.912 3.334 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 586949008 OLPZGZUSIAUJIW-UHFFFAOYSA-N 371.340 3.326 10 1 FGCF CCn1c(-c2cc(OC)cc(OC)c2)nc2c1C(=O)c1ccccc1C2=O 13215843 FAEMHGXSUPXMRQ-UHFFFAOYSA-N 362.385 3.363 10 1 FGCF COc1ccc(N2CCN(c3cc(O)n(-c4ccccc4)c3O)CC2)cc1 169719110 WUYXBUUZYQLMJJ-UHFFFAOYSA-N 365.433 3.224 10 1 FGCF CC(C)COC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29551539 CYRNVWHNOBMZQD-UHFFFAOYSA-N 360.498 3.397 10 1 FGCF CN(C)c1ccc(/C=C/c2cnc(OCCO)c(Br)c2)cc1 28644640 YSVRVEOTDJVOHH-ONEGZZNKSA-N 363.255 3.452 10 1 FGCF CC(=O)[C@@H]1[C@H](C)OC[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356351866 HDWJJWIIAAZFAK-XGIRRWBXSA-N 352.478 3.336 10 1 FGCF N[C@H](c1ccsc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587025958 JJBSIRATSVNGAG-MRXNPFEDSA-N 359.410 3.448 10 1 FGCF CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(N)cc1 1772655905 TYHAXOKRQJCCIB-UHFFFAOYSA-N 355.467 3.040 10 1 FGCF Cc1cc(I)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 33837904 JMRRIKROUNXRLA-RVBZMBCESA-N 355.175 3.138 10 1 FGCF COc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc(O)c1O 587785173 ILVWOTIGMAVXDX-NSCUHMNNSA-N 362.183 3.311 10 1 FGCF COc1cc(O)c2c(c1Br)C(=O)N1c3ccccc3CO[C@H]21 28951033 DJFYHYMMFASLRF-MRXNPFEDSA-N 362.179 3.353 10 1 FGCF COc1ccc2[nH]c(CN(C)c3ccccc3)c(CCNC(C)=O)c2c1 43074375 WCMOCQKBTLRSNE-UHFFFAOYSA-N 351.450 3.492 10 1 FGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)ncnc3[nH]1)[C@@H]1CC=C[C@H]21 587277287 SDJOJNIRUNLGMZ-WDMOLILDSA-N 364.365 3.102 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4ccccc4cc3[nH]2)c1 586948605 PKHPXFMJPCFLNN-UHFFFAOYSA-N 353.403 3.460 10 1 FGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)cc1[N+](=O)[O-])CC2=O 587472518 IZOQLNLSPGAGAK-QGZVFWFLSA-N 359.334 3.371 10 1 FGCF CN1CCc2c(Br)cccc2[C@]12CC(=O)C(=O)c1ccccc12 963271880 WLLPWSDOLVYGFZ-IBGZPJMESA-N 370.246 3.336 10 1 FGCF O=C(O)[C@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@@H]12 62241721 UFZHQEXDMZQDGA-SIIHOXLZSA-N 355.415 3.058 10 1 FGCF CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccc(O)c(O)c3)oc2c1 299835582 WODGQLVQGAMOCR-UHFFFAOYSA-N 358.346 3.374 10 1 FGCF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)c(O)c1OC)CC2=O 587484255 ZIFCUOXXRXPRIR-HNNXBMFYSA-N 374.389 3.480 10 1 FGCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(F)nc32)cc1 40874490 FSKGWVXVMAJROO-UHFFFAOYSA-N 363.400 3.116 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(O)c2O)N1 587820995 GGCQPALSFWQDTL-NXSYQRQQSA-N 368.202 3.329 10 1 FGCF CO[C@@]12C=C(c3ccc(O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O 96934675 XQMYAZMXKADSPO-GCJKJVERSA-N 357.365 3.418 10 1 FGCF O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1cccc2ccccc12 40893615 RMSQNMRPJFOXMJ-UHFFFAOYSA-N 371.403 3.230 10 1 FGCF Cc1sc2c(c1C)CCN[C@@]21C(=O)N(CCN=[N+]=[N-])c2ccccc21 963029168 RCSGCBYTMGLFIH-GOSISDBHSA-N 353.451 3.411 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(O)c2O)N1 587820976 GGCQPALSFWQDTL-JKYUHCHBSA-N 368.202 3.329 10 1 FGCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533871 XQAGBRVZTJFRSS-KRWDZBQOSA-N 364.338 3.404 10 1 FGCF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1cccc(O)c1O 2356330787 VBTFCYSOEPNMSX-KJNZLNQQSA-N 371.477 3.498 10 1 FGCF C[C@H](O)[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O 2356564348 LYDXJYXBBJDDSG-FGHRDMTHSA-N 362.466 3.223 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 14648167 SOSNZGAHBIGOGO-OALUTQOASA-N 358.390 3.055 10 1 FGCF biogenic O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(O)c1 587613589 ZXULMRVIIPMFSP-OXJNMPFZSA-N 366.325 3.212 10 1 FGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)c(O)c1OC)CC2=O 587484257 ZIFCUOXXRXPRIR-OAHLLOKOSA-N 374.389 3.480 10 1 FGCF O=C(NCCc1ccccc1F)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857543576 OOONHOBWYRTNCW-UHFFFAOYSA-N 363.344 3.167 10 1 FGCF CN[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 2356657724 RCODLXKABFVUOP-IZQPOCBFSA-N 359.466 3.485 10 1 FGCF COc1ccc(/N=N/c2nccn2CC(=O)N2CCCCC2)c([N+](=O)[O-])c1 1772612672 BECOJRBVXLWILE-FMQUCBEESA-N 372.385 3.228 10 1 FGCF CN(C)c1ccc(CNCCCCNCc2ccc(N(C)C)cc2)cc1 28259974 VHJGPBPUDZKERJ-UHFFFAOYSA-N 354.542 3.478 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@@H]4[C@@H]3CC[C@@H]12 169369899 VYFIQXXVEPQANM-UNXGCCSXSA-N 357.498 3.336 10 1 FGCF COc1cc(C(=O)[C@@H](O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 100812549 AVTXFDNFMRZJCC-YRYLYKBFSA-N 371.433 3.035 10 1 FGCF CC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 95556525 BJEKALZISDYFDX-HXUWFJFHSA-N 360.417 3.273 10 1 FGCF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c([C@@H]3CCCCN3)c(O)c21 1772626882 RQNJYLAXYNNQTG-BBRMVZONSA-N 355.390 3.325 10 1 FGCF CCN(CC)S(=O)(=O)c1cccc(/N=N\c2sc(N)nc2C)c1 102730071 WPFMKYWZRWCODY-ZCXUNETKSA-N 353.473 3.480 10 1 FGCF CC(C)(O)[C@H]1CC[C@@](C)(C=CC=C2C=C(c3cc(O)ccc3O)OC2=O)O1 2356325654 ZCBZIKUEIKEDHK-WIYYLYMNSA-N 372.417 3.187 10 1 FGCF CC(C)=CC[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O 85592769 TYKZWBVNTUNILB-SFTDATJTSA-N 354.402 3.416 10 1 FGCF biogenic,in-vitro CCN(C)C(=O)Oc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 1772655559 NGIJYKHUNCNMQD-CSKARUKUSA-N 356.378 3.200 10 1 FGCF CC(=O)O[C@@H]1[C@H]2[C@@H](C)OC[C@H]3[C@H]2C[C@H]2c4c(c5ccccc5n4C)C[C@H]3N21 2356336481 NIVGFWXFJATDQP-NZXZCTKESA-N 366.461 3.020 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)C=[N+]=[N-])[C@@H]3CC[C@H]12 26384312 VYFIQXXVEPQANM-CABDMAJZSA-N 357.498 3.336 10 1 FGCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCO)C2(C)C 40766939 IDHWDYNBKACCTB-HNNXBMFYSA-N 354.402 3.235 10 1 FGCF CO[C@@]12C=C(c3ccc(O)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O 96934677 XQMYAZMXKADSPO-AVRDEDQJSA-N 357.365 3.418 10 1 FGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586948453 GSTRTEQCNNALMU-UHFFFAOYSA-N 373.768 3.239 10 1 FGCF Cc1ccc(NC(=O)CCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27556179 DQEXBHQDTYKUIH-FOIQADDNSA-N 372.465 3.227 10 1 FGCF Nc1ccc(Cc2cc(C(=O)C(=O)Nc3cccnc3)c3ccccn23)cc1 38895791 PXFFGJDVTBMMLX-UHFFFAOYSA-N 370.412 3.329 10 1 FGCF CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2O)NC(=O)N1 45301036 KRIIDFFNVZWTNQ-INIZCTEOSA-N 357.797 3.312 10 1 FGCF COc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1 13800747 JEJPMHBQZJMPBA-UHFFFAOYSA-N 350.418 3.124 10 1 FGCF Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(N3CCOCC3)cc2)C1 49034651 ILPIHUWWYWAQKP-KRWDZBQOSA-N 357.841 3.321 10 1 FGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1cnccn1)=C2c1ccccc1 96934703 DDWFJEGFHQNUKG-REWPJTCUSA-N 368.392 3.482 10 1 FGCF [N-]=[N+]=NC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224464 CKXIOHUFJGAAFO-AZUAARDMSA-N 359.389 3.388 10 1 FGCF Cc1ccnc2c1CCN[C@H]2c1cc(Br)c(F)c(F)c1O 963075504 SGOIVUHHSKUBQT-AWEZNQCLSA-N 355.182 3.371 10 1 FGCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccccc3O)CC2)C1=O 14537241 NLTVUIURWLPLCN-UHFFFAOYSA-N 373.497 3.057 10 1 FGCF COc1ccc2c(=O)c(O)c(/C=C/c3ccc(O)c(O)c3)oc2c1OC 653894766 BTXOGPHBSZIDCW-QPJJXVBHSA-N 356.330 3.097 10 1 FGCF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587273221 GAGBEEFQNJJKKV-UHFFFAOYSA-N 364.365 3.399 10 1 FGCF COc1ccc(N2CC[C@]3(C2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587435307 FHJQCIKJPJYIFI-DYESRHJHSA-N 351.402 3.100 10 1 FGCF Cc1ccc(C(=O)OCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27723477 NSVXVUGAGGSSJH-FOIQADDNSA-N 373.449 3.055 10 1 FGCF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCCCC3)c(O)c21 1772617054 USUGQNAGUQBWMD-GOSISDBHSA-N 369.417 3.496 10 1 FGCF O=C1c2nccnc2C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 27524602 ZWVIIYVFKQKEDT-UHFFFAOYSA-N 364.364 3.376 10 1 FGCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccccc3)=NC2=O)o1 28816646 XMFZYYBOFTWJIE-LTBFUDJGSA-N 356.403 3.228 10 1 FGCF C[C@H](OC(=O)CCC(=O)O)c1cc2c(s1)C(=O)c1sccc1C2=O 28893933 XEHIFSCUIFGCRS-ZETCQYMHSA-N 364.400 3.054 10 1 FGCF COc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(O)c1O 587785466 MFHGPESNWUZLMB-QPJJXVBHSA-N 369.421 3.094 10 1 FGCF CCN(CC)CCOc1ccc2c(c1)O[C@H]1C(=O)c3ccccc3C(=O)[C@H]21 84462564 HRGYVYLNOUCSJW-SIKLNZKXSA-N 365.429 3.331 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1O 587610624 QZBLZEVGGMEESC-FOIQADDNSA-N 366.325 3.212 10 1 FGCF CC(C)=CCc1c(O)cc2c(c1O)C[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2 14648158 IQDFKWMQHFUYNY-XLIONFOSSA-N 358.390 3.055 10 1 FGCF biogenic COc1cc2c(c(O)c1[C@H]1CCCCN1)C(=O)c1c(O)cc(C)cc1C2=O 205440795 WBKSVWNGGZQNAE-CYBMUJFWSA-N 367.401 3.005 10 1 FGCF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(C(=O)O)c1O 28360757 DJXDQVVNDSVVRH-VLGSPTGOSA-N 361.810 3.438 10 1 FGCF COc1ccc(C[C@H](NC(C)=O)c2ccc3cccnc3c2O)cc1OC 89469094 BCSRBRCWBCQNPD-KRWDZBQOSA-N 366.417 3.378 10 1 FGCF Cn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2cc(Br)ccc21 96929601 JXXPMMYYKCDUSV-UHFFFAOYSA-N 364.195 3.160 10 1 FGCF NC(=S)N=Nc1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12 299813332 SSZPXXTYGOWGSP-UHFFFAOYSA-N 353.407 3.313 10 1 FGCF O=c1[nH]c2ccc(Br)cc2n1Cc1cc(Cl)ccc1O 29396264 DXJMXCNQLNIJTD-UHFFFAOYSA-N 353.603 3.499 10 1 FGCF C[C@H](O)[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@@H](O)C2=O 2356564350 LYDXJYXBBJDDSG-OQSGEWAHSA-N 362.466 3.223 10 1 FGCF CCCn1c(O)c(N=NC(=O)CNC(=O)c2cccnc2)c2ccccc21 253994987 IUHLQOXYSSDZNE-UHFFFAOYSA-N 365.393 3.192 10 1 FGCF Cc1c(O)ccc2c1[C@@H](c1ccc(N(C)C)cc1Cl)N[C@H](C(=O)O)C2 963486973 AMZGXTPUBQHDJQ-MAUKXSAKSA-N 360.841 3.108 10 1 FGCF Nc1ccc2cccc(O[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3)c2n1 28390078 BBYRQKZFHKDPAA-MRXNPFEDSA-N 363.417 3.246 10 1 FGCF CN(C)C(=O)N(Cc1ccco1)Cc1cc(Br)ccc1O 40379002 NLCMJMHPXHNHML-UHFFFAOYSA-N 353.216 3.432 10 1 FGCF COC(=O)c1c(C)ccc2c(O)c3c(cc12)C(=O)c1cccc(O)c1C3=O 14684529 ITFQAKHLOKEJNL-UHFFFAOYSA-N 362.337 3.121 10 1 FGCF biogenic CCOC(=O)[C@@H]1CS[C@@H](c2cc(-c3cccs3)cc(OC)c2O)N1 116439247 YUSMELUUIBRUJZ-LRDDRELGSA-N 365.476 3.396 10 1 FGCF [N-]=[N+]=NC[C@@H]1OC[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 17258107 IXUXOCVYBHXBOU-VNTMZGSJSA-N 369.421 3.227 10 1 FGCF O=C(O)c1ccc2c(c1)nc(-c1ccc(N3CCCCC3)cc1)n2CCO 103226379 NZDSNTTYOJRQFZ-UHFFFAOYSA-N 365.433 3.384 10 1 FGCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)c3cccc(O)c3)[nH]c21 586889024 DUUFLCDCMDVMTE-LJQANCHMSA-N 370.364 3.126 10 1 FGCF COCC/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 85645926 ROZARGMLPGUFLC-RGXLEOPBSA-N 358.390 3.021 10 1 FGCF biogenic,in-vitro Nc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 27744462 KWJVRMNUPCVFGZ-UHFFFAOYSA-N 351.801 3.249 10 1 FGCF CCOC(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587785417 LQRWCZKRDDCYSH-QPJJXVBHSA-N 354.362 3.330 10 1 FGCF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1O)CC2=O 71295580 BPCXQZQCGCNZOS-MRXNPFEDSA-N 372.373 3.430 10 1 FGCF Cc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1C 12508844 UCFUCTDJCXWQDQ-UHFFFAOYSA-N 360.395 3.223 10 3 FGCF COc1ccc(CC(=O)Nc2cccc(C(=O)C(=O)c3ccccn3)c2)cc1 66258358 BAOHDGHDGBREJU-UHFFFAOYSA-N 374.396 3.337 10 1 FGCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCN(c2ccco2)CC1 43121356 WWWBAMGHRSRMDH-LGMDPLHJSA-N 370.840 3.362 10 1 FGCF O=C1c2ccccc2C(=O)c2c(-c3cccc[n+]3Cc3ccccc3)noc21 84714050 RSBUVXJDLDMQRM-UHFFFAOYSA-N 367.384 3.453 10 1 FGCF O=C1c2ccccc2C(=O)c2c1cc(NCc1cccnc1)c1nsnc21 219758995 LXRXXPAXFKDNCM-UHFFFAOYSA-N 372.409 3.474 10 1 FGCF Cc1cc2c(cc1C)C(=O)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 957747942 WYGAKPCNFVSJER-NRFANRHFSA-N 351.402 3.495 10 1 FGCF CCn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 253979225 HYCKWSNTBNESQG-SJLIVGHTSA-N 366.377 3.400 10 1 FGCF CN(C)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccncc3)[nH]2)cc1 2356299455 HJPGPYBXKAGSIL-HXUWFJFHSA-N 363.465 3.111 10 1 FGCF C[C@@H](C(=O)/N=N\c1c(O)[nH]c2ccccc12)n1cnc2ccccc2c1=O 13125309 LHOXSRALUUOLKB-XAGJECNWSA-N 361.361 3.455 10 1 FGCF CCCn1c(O)c(/N=N\C(=O)CNC(=O)c2cccnc2)c2ccccc21 102677035 IUHLQOXYSSDZNE-FCQUAONHSA-N 365.393 3.192 10 1 FGCF CC[C@@H](CO)CC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1 26818452 YGPDUEFXOVORPS-SXGZJXTBSA-N 352.478 3.026 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccccc1Cl 103287766 OHIUXRRKDCTHGN-DZGCQCFKSA-N 374.736 3.304 10 1 FGCF Cn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 102657410 UERIJUJOIQKQFP-BGJKXFIPSA-N 362.389 3.324 10 1 FGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)[C@@H]1N2C 95554811 XYPIACFHOBWHQA-HXUWFJFHSA-N 363.417 3.332 10 1 FGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(O)cc2O)N1 587823926 XHZPJAYIXGSKJF-HYORBCNSSA-N 368.202 3.329 10 1 FGCF Cc1c(Cl)ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586949738 YXAMDOMPEIFSJD-UHFFFAOYSA-N 351.815 3.269 10 1 FGCF CC[C@]1(c2cc(Cl)ccc2O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522026 DOXLKMORTMPKSV-IFXJQAMLSA-N 361.825 3.312 10 1 FGCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)cc(Cl)c2O)N1 963231947 SJDXZZDLINUDJW-SJORKVTESA-N 372.783 3.421 10 1 FGCF COc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc(O)c1O 587784857 DPDHASVJEPAZOX-IHWYPQMZSA-N 362.183 3.311 10 1 FGCF CCOC(=O)C=Cc1ccc2c(c1)OC(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356414852 SOJCXOOLLHIOQT-KRWDZBQOSA-N 370.357 3.103 10 1 FGCF COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)c(O)c3[C@H]1C2 14715499 ONWMFADVKAKDCA-OAHLLOKOSA-N 371.433 3.082 10 1 FGCF biogenic CCN1C(=O)/C(=C/c2ccc(OCCCN(C)C)cc2)SC1=S 84653098 IJWHNRNMKOWVPY-QINSGFPZSA-N 350.509 3.238 10 1 FGCF CC(C)=CCc1c(O)cc2c(c1O)C[C@H](O)[C@H](c1ccc(O)c(O)c1)O2 14648155 IQDFKWMQHFUYNY-PXNSSMCTSA-N 358.390 3.055 10 1 FGCF biogenic CC(C)(O)[C@@H]1CC[C@](C)(C=CC=C2C=C(c3cc(O)ccc3O)OC2=O)O1 2356325651 ZCBZIKUEIKEDHK-RXVVDRJESA-N 372.417 3.187 10 1 FGCF CCOC(=O)Cc1oc2c(c1-c1ccco1)C(=O)c1ccccc1C2=O 1857746740 TZJJLHQIDIUETE-UHFFFAOYSA-N 350.326 3.421 10 1 FGCF COc1ccc(C2=Nn3c([n+](C)c4cc(C)c(C)cc43)SC2)cc1OC 6501361 LNWDDIPTPRHXNJ-UHFFFAOYSA-N 368.482 3.458 10 1 FGCF Cc1ccc([C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)s1 1857573117 ILFDUCFDTMJMRO-QGZVFWFLSA-N 366.394 3.325 10 1 FGCF Cc1cnc(SC[C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963513209 ZONVMLSLRDQHQR-SUMWQHHRSA-N 364.492 3.072 10 1 FGCF CCN(CC)CCN[C@H]1c2cc(N(C)C)ccc2OCc2ncccc21 26833572 DQESTASZJJNSAM-OAQYLSRUSA-N 354.498 3.061 10 1 FGCF CN1[C@H]2C[C@@H]3[C@H](CO[C@]4(C)OC(=O)C[C@@H]34)[C@H]1Cc1c2n(C)c2ccccc12 2356522444 HIJSJXVEJVBFFC-MJSGHORISA-N 366.461 3.022 10 1 FGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccc(O)cc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356702540 IVPXAGQSLDZJKE-PBYMTVQHSA-N 352.434 3.093 10 1 FGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(OC)cccc2N(C)[C@H]31 95552354 PYPLYCPABPUNAA-FQEVSTJZSA-N 363.417 3.332 10 1 FGCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccc(F)c2O)N1 962956921 LRQYJIJIMHUCDF-RISCZKNCSA-N 357.715 3.151 10 1 FGCF Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1 1857621666 AXFDIPYNEJVVIV-UHFFFAOYSA-N 372.471 3.380 10 1 FGCF Cc1ccc(OC(=O)CSc2nnc(-c3ccc(O)c(O)c3)o2)cc1 1857641105 YSPSMLFMFFGDSE-UHFFFAOYSA-N 358.375 3.154 10 1 FGCF CC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1cccnc1C2=O 40379890 WJBNYQFDZPNQGT-UHFFFAOYSA-N 369.174 3.075 10 1 FGCF COc1ccc(CNC(=S)SCc2nc(=O)c3ccccc3[nH]2)cc1 209468984 WUXIDBZCVDUQPJ-UHFFFAOYSA-N 371.487 3.240 10 1 FGCF COc1ccc(N2CCN(c3cc(=O)oc4ccc(C)cc34)CC2)cc1 49563704 SCLAVOANNLALMA-UHFFFAOYSA-N 350.418 3.437 10 1 FGCF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@@H]4[C@@H]3CC[C@@H]12 169369896 VYFIQXXVEPQANM-VZCAXEHESA-N 357.498 3.336 10 1 FGCF O=C1c2ccccc2C(=O)c2[nH]c(-c3csc(Br)n3)nc21 1857774023 PJDJGERKXKOOBH-UHFFFAOYSA-N 360.192 3.071 10 1 FGCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2c[nH]c3ccccc23)N1 103072576 OLIZELSPPAVOEM-INIZCTEOSA-N 357.369 3.459 10 1 FGCF CCC(=O)c1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O 14819821 UEXXGSNJNCORMY-UHFFFAOYSA-N 354.358 3.081 10 1 FGCF biogenic COc1cc2ccccc2cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 13782020 MNBVQOJQBVDYIF-ZSOIEALJSA-N 359.428 3.134 10 1 FGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)cc1O 587612425 VGDHRIWZZZPEEG-YLJYHZDGSA-N 366.325 3.212 10 1 FGCF C[N+](C)(C)CCCOc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 27210599 ZXLYSHWEEPTJSI-UHFFFAOYSA-O 370.425 3.346 10 1 FGCF CC(C)CCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O 14814688 OJGWFFKONDTESN-UHFFFAOYSA-N 354.358 3.160 10 1 FGCF biogenic Oc1ccc(Br)cc1CN1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100672525 HNVUJOILHPMUKN-CPUCHLNUSA-N 365.315 3.461 10 1 FGCF CCN(CC)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(O)c1 962907089 SJLZJIKKGUKCLR-QFBILLFUSA-N 358.413 3.066 10 1 FGCF Oc1cc(O)c2c(c1)[C@@H]1Cc3c(O)cc(O)cc3[C@H]2c2cc(O)c(O)cc21 13384043 FCLAOALFOOHMFS-SBKAZYGRSA-N 364.353 3.102 10 1 FGCF Cc1cc(C)c([C@H](O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1 13490157 DFXPACOPQZCCMY-IBGZPJMESA-N 353.374 3.351 10 1 FGCF NC(=S)/N=N\c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12 102711773 SSZPXXTYGOWGSP-MRCUWXFGSA-N 353.407 3.313 10 1 FGCF COc1ccc(C(=O)Nc2cccc(C(=O)C(=O)c3ccccn3)c2)cc1 66258286 YGYRHHWEACSNQF-UHFFFAOYSA-N 360.369 3.408 10 1 FGCF COc1cccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c1 40901352 PARDNATVDZPGTO-MDWZMJQESA-N 363.200 3.463 10 1 FGCF CCOC(=O)[C@H](C)n1cc(-c2cccc3c2C(=O)c2ccccc2C3=O)cn1 1857543835 YFKGOBKLSOTNRJ-ZDUSSCGKSA-N 374.396 3.450 10 1 FGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2O)cc1 1911585133 LBAIDSFLTPDSET-UHFFFAOYSA-N 367.364 3.415 10 1 FGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(OC)cccc2N(C)[C@@H]31 95552353 PYPLYCPABPUNAA-HXUWFJFHSA-N 363.417 3.332 10 1 FGCF Cc1ccc([C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)s1 1857573116 ILFDUCFDTMJMRO-KRWDZBQOSA-N 366.394 3.325 10 1 FGCF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)cc(O)c1O 587787131 ZYLVVCBGGRMQDB-ONEGZZNKSA-N 354.362 3.314 10 1 FGCF [18F]CCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1 100076864 DCOWEWUTRNVNCR-GJQNQZCXSA-N 353.432 3.005 10 1 FGCF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2O)NC(=S)N1 96929760 UBSRTACYVMJHNG-GOSISDBHSA-N 367.474 3.441 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)c(Br)c1)O2 587376685 JVPGLAYBNFHDGM-CQSZACIVSA-N 364.195 3.457 10 1 FGCF CN[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 2356657725 RCODLXKABFVUOP-SIHWBGBFSA-N 359.466 3.485 10 1 FGCF O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C\C=C1/C=Cc2ccccc2N1 38179509 HMVMIEFERIDYRM-GXDIDPINSA-N 357.369 3.423 10 1 FGCF CN(CC[C@@]1(c2ccccc2)C(=O)c2ccc(Cl)cc2C1=O)CC(=O)O 28571304 HNKOIHBLEVOKML-HXUWFJFHSA-N 371.820 3.064 10 1 FGCF O=C(Nc1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccccc2O)cc1 13535933 BUOFYQFYWDIZNS-UHFFFAOYSA-N 364.357 3.308 10 1 FGCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(N)=O)c3ccccc32)cc1 100087102 JBPJRXPCXUFJAX-QURGRASLSA-N 351.366 3.456 10 1 FGCF CCOc1ccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(O)c1C 963037968 ZBSJUIULYDEYRH-PEBXRYMYSA-N 366.461 3.416 10 1 FGCF CC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(OC)c2C3=O)C1 13379077 JCMDNBJXOUWFMR-JTQLQIEISA-N 350.370 3.331 10 1 FGCF biogenic,in-vitro COc1cc(O)ccc1C(=O)C[C@H]1c2ccc(O)c(O)c2C[C@@H]1C(C)(C)O 1772579700 BWSHFLJYJLMOOH-HOCLYGCPSA-N 372.417 3.112 10 1 FGCF CCCNC[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 45497454 FCMJOIPJZWFLKL-FQEVSTJZSA-N 354.494 3.379 10 1 FGCF Cc1cc(=O)c(Oc2ccc(N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581231 MQUSSEMZSSGDLR-UHFFFAOYSA-N 371.414 3.393 10 1 FGCF O=CN1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1 103262340 DHCBKVBLDHBKGW-UHFFFAOYSA-N 350.418 3.003 10 1 FGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(O)c2)N1 587822347 NEAJEUUOGYKQOG-ZIDLFYJRSA-N 368.202 3.329 10 1 FGCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc3ccccc3o2)cc1 1857577764 SUPZBQKBQWNNLW-OALUTQOASA-N 363.461 3.118 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccccc1Cl 103287769 OHIUXRRKDCTHGN-HIFRSBDPSA-N 374.736 3.304 10 1 FGCF COc1ccc(C(=O)c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)cc1 299833206 LUOAPPNWWKQHMS-UHFFFAOYSA-N 364.378 3.469 10 1 FGCF COc1ccc(CCc2cc(=O)c3c(O)c(O)c(O)c(Cl)c3o2)cc1 1857633950 UHGPSPANDFMXFW-UHFFFAOYSA-N 362.765 3.357 10 1 FGCF COc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccccc1S2 22460836 WHOLDQVFAWYZSG-LJQANCHMSA-N 370.518 3.054 10 1 FGCF CN(Cc1ccc(O)c(O)c1)C(=S)NCCc1ccc(Cl)cc1 29131803 GIBCGSZQJNEVBP-UHFFFAOYSA-N 350.871 3.300 10 1 FGCF CC1=NN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@H](c2ccccc2O)C1 84605237 LHNLQHNBYRWMFE-HNNXBMFYSA-N 369.387 3.316 10 1 FGCF COc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C(C)(C)[C@@H](C)O2 15256072 HFNUBTGETCNNAV-SSDOTTSWSA-N 358.346 3.130 10 1 FGCF biogenic O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3c2[N+](=O)[O-])SC1=S 13782019 SZDDYWUGCUGMAP-GHXNOFRVSA-N 374.399 3.034 10 1 FGCF CC(C)=CCc1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 14648157 IQDFKWMQHFUYNY-FXAWDEMLSA-N 358.390 3.055 10 1 FGCF biogenic CC(C)NC[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40391853 JUVWASPQEPNQTK-HXUWFJFHSA-N 354.494 3.377 10 1 FGCF NS(=O)(=O)c1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1 253917798 NBQJKNSAKITVLO-UHFFFAOYSA-N 371.374 3.306 10 1 FGCF COC(=O)c1ccc(Cn2c(O)c(N=NC(N)=S)c3ccccc32)o1 377871789 HEUOJDPWPMGZFR-UHFFFAOYSA-N 358.379 3.102 10 1 FGCF CCOC(=O)[C@H]1CS[C@H](c2cc(-c3cccs3)cc(OC)c2O)N1 116439245 YUSMELUUIBRUJZ-MLGOLLRUSA-N 365.476 3.396 10 1 FGCF CCn1c(O)c(/N=N/C(=O)CNC(=O)Cc2ccccc2)c2ccccc21 101779763 QMWSLXMOYNMEJK-GHVJWSGMSA-N 364.405 3.336 10 1 FGCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(CO)cc3)nc21 586895717 VODMUQLXOIVNSU-UHFFFAOYSA-N 354.365 3.498 10 1 FGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)cc2O)N1 587824016 YCHBBSJANUUIFM-QZTNRIJFSA-N 368.202 3.329 10 1 FGCF CN(CCO)c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587192960 MRODVMZALMFSFL-UHFFFAOYSA-N 373.460 3.490 10 1 FGCF Cc1cnc(SC[C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963513207 ZONVMLSLRDQHQR-GUYCJALGSA-N 364.492 3.072 10 1 FGCF COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O 85592766 UWOBERKLAKOFSQ-SFTDATJTSA-N 356.418 3.301 10 1 FGCF biogenic,in-vitro CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2O)NC(=S)N1 45284531 IGIMZCPFSNQFTO-MRXNPFEDSA-N 373.865 3.477 10 1 FGCF COC(=O)c1cc(Cl)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192866 HKLOZVMLADUKFV-UHFFFAOYSA-N 359.813 3.098 10 1 FGCF Oc1ccc(CCNC(=S)NCCc2ccc(Cl)cc2)cc1O 29131801 AKYIPRLSUAGSCD-UHFFFAOYSA-N 350.871 3.001 10 1 FGCF CC1=CCc2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)CC3=O)OC1 238775089 PUPFAZBGSLFJGJ-KRWDZBQOSA-N 354.358 3.391 10 1 FGCF Oc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1O 962998827 QLWRXAMSEHLGPQ-QGZVFWFLSA-N 354.431 3.408 10 1 FGCF COc1cc([C@H](C)[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 28092061 POIDMGZPRKZICO-WLRWDXFRSA-N 359.422 3.114 10 1 FGCF CC(C)COC(=O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29552012 YIVIPFSXGBJHLS-UHFFFAOYSA-N 374.525 3.326 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=[N+]=[N-])CC[C@H]4[C@H]3CC[C@@H]12 34801240 VYFIQXXVEPQANM-XEWOWDSESA-N 357.498 3.336 10 1 FGCF Cc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@@H](c3ccccc3O)C2)cc1 299870316 WCCKXURKUGUEMH-LJQANCHMSA-N 360.417 3.275 10 1 FGCF NCc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587246098 CGFWCQBPTMFIDP-UHFFFAOYSA-N 353.381 3.464 10 1 FGCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN3CCOCC3)c2)c(F)c1 1857572502 PYSXWMKCQAIWTC-AWEZNQCLSA-N 373.424 3.307 10 1 FGCF O=C(O)c1cc2ccc(O)c3oc4cc(O)c(O)cc4c(c1C(=O)O)c23 59587126 QOTFGJCGDWMTEX-UHFFFAOYSA-N 354.270 3.252 10 1 FGCF biogenic,in-vitro CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NC(=S)N2)cc1 103165070 NAEMLOASGZHNBV-INIZCTEOSA-N 354.435 3.469 10 1 FGCF CCCc1c(O)ccc2c1O[C@@](C)(C(=[N+]=[N-])P(=O)(OC)OC)CC2=O 587484980 IIUCLVVXXJIAFW-MRXNPFEDSA-N 368.326 3.183 10 1 FGCF CCNC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(N2CCCCC2)cc1 199736758 NHNSCXIHWXIEFQ-IHPCNDPISA-N 372.513 3.015 10 3 FGCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(O)cc(C(=O)O)c1 587927565 WVUXUOGJUSAKSV-UHFFFAOYSA-N 371.414 3.260 10 1 FGCF CC(=O)O[C@@H](CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1 72181389 WFGFERPBWVNUAJ-OALUTQOASA-N 374.433 3.052 10 1 FGCF biogenic Cc1c(O)c(C(=O)CC(C)C)c2c(c1O)C(=O)c1cccc(O)c1C2=O 95575365 JSBZNSHTZGINIT-UHFFFAOYSA-N 354.358 3.116 10 1 FGCF biogenic Nc1cc(F)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1N 587137420 ZLFRFJGAYGEXFZ-UHFFFAOYSA-N 372.359 3.309 10 1 FGCF OCCN1CCN(CCCCN2c3ccccc3Oc3ccccc32)CC1 19364288 OTSPMDFTLZQWKE-UHFFFAOYSA-N 367.493 3.321 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 103287908 BLDHJEUAUYXHGB-LSDHHAIUSA-N 374.736 3.304 10 1 FGCF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCCCC3)c(O)c21 1772617057 USUGQNAGUQBWMD-SFHVURJKSA-N 369.417 3.496 10 1 FGCF O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccncc1 169327322 UMLWQRJHGNJXJT-ZROIWOOFSA-N 357.416 3.391 10 1 FGCF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149926587 KBVKWLUVDSQGKC-AWEZNQCLSA-N 352.434 3.259 10 1 FGCF CN1C[C@H](CNC(=O)C(C)(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297449 SMRSHCRVZKUMOK-POZUXBRTSA-N 353.510 3.301 10 1 FGCF CCOc1ccc(N2CC[C@@]3(C2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587439881 XDBNAIVTLWHIDW-GCJKJVERSA-N 365.429 3.490 10 1 FGCF Cc1c(O)ccc2c1[C@H](c1cccc(C(F)(F)F)c1O)N[C@H](C(=O)O)C2 963465238 AHRQYCYJLFWVDL-WFASDCNBSA-N 367.323 3.113 10 1 FGCF C[C@H](NCc1ccc(O)c(CN2CCN(C)CC2)c1)c1ccccc1F 473109901 UJNOBFLVNZZNMY-INIZCTEOSA-N 357.473 3.130 10 1 FGCF CCc1cc(O)c2c(O)c3c(c(O)c2c1)C(=O)c1cccc(O)c1C3=O 15205725 XONNHZLSRMOBJX-UHFFFAOYSA-N 350.326 3.000 10 1 FGCF biogenic CC[C@@]12CCCN3CC[C@]4(c5ccc(O)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 238742074 HFWWOCILOBWUNN-QYRPDUKASA-N 356.466 3.129 10 1 FGCF CCO[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 34635275 HISINPGPQCFGLB-KRWDZBQOSA-N 374.433 3.439 10 1 FGCF biogenic,in-vitro Nc1ccccc1-c1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1 1911577796 AKKLDNRIJRZQFR-UHFFFAOYSA-N 366.380 3.292 10 1 FGCF CN(C)CCCOc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 27207692 ONIFCIAFCWJDCX-UHFFFAOYSA-N 355.390 3.202 10 1 FGCF CC(=O)C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)c1ccccc1N2C 13304766 LZVQOTYGODQXSK-QFIPXVFZSA-N 359.429 3.448 10 1 FGCF biogenic COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CN(C)C)c1O 587385072 BKINDKSWVRDKSA-KRWDZBQOSA-N 356.422 3.060 10 1 FGCF COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 169309917 WOYRGNCJICXWHY-UHFFFAOYSA-N 371.392 3.401 10 3 FGCF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc4c(c3)OCO4)CC1)O2 587396792 WDENUDGCMQIZGE-UHFFFAOYSA-N 366.417 3.310 10 1 FGCF COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1C 14641589 XICKQNFAJAXFNI-UHFFFAOYSA-N 358.346 3.211 10 1 FGCF biogenic COc1cccc2c1C(=O)c1c(c(O)c3cc([C@@H](C)O)ccc3c1O)C2=O 6037124 GXNBQMKESQAVQC-SECBINFHSA-N 364.353 3.088 10 1 FGCF biogenic,in-vitro CC(C)(O)CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(O)c3OC[C@H]21 31161239 JZAOILYZTLYIEL-ACJLOTCBSA-N 358.390 3.117 10 1 FGCF biogenic CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1/C=C/c1ccc(N(C)C)cc1 103219328 FNKSSKJPNFVJGD-HBYKMFCXSA-N 353.397 3.472 10 1 FGCF O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@H]3CCCCN3)c(O)c12 1772605382 AZGFJUJZKHHQCG-CYBMUJFWSA-N 353.374 3.391 10 1 FGCF CCCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccncc2)c2ccccc21 102601311 DTSAAMYTWHBKHE-FCQUAONHSA-N 365.393 3.192 10 1 FGCF O=C1c2ccccc2C(=O)c2c(-c3ccc[n+](Cc4ccccc4)c3)noc21 84714111 VVDDIAVAPAJMOB-UHFFFAOYSA-N 367.384 3.453 10 1 FGCF [N-]=[N+]=NCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 95581624 OFQAHTOVNSSYQN-UHFFFAOYSA-N 361.317 3.431 10 1 FGCF Cc1cc2c(O)nc(CSC(=S)NCc3cccnc3)nc2s1 1857629249 IUBVUDNXZZSUGD-UHFFFAOYSA-N 362.505 3.408 10 1 FGCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963643630 ZZUJSDVZMKVJPT-BIBXISHDSA-N 359.422 3.050 10 1 FGCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CO)cc3)C2)cc1 96172988 LETYBBOKGYKWNF-MRXNPFEDSA-N 369.461 3.408 10 1 FGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(O)c2)N1 587822345 NEAJEUUOGYKQOG-MLXNANBUSA-N 368.202 3.329 10 1 FGCF CN1CCc2c(Br)cccc2[C@@]12CC(=O)C(=O)c1ccccc12 963271881 WLLPWSDOLVYGFZ-LJQANCHMSA-N 370.246 3.336 10 1 FGCF COCCC=Cc1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2 2356505846 ROZARGMLPGUFLC-UXHICEINSA-N 358.390 3.021 10 1 FGCF O=C(c1ccncc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 73158875 GPMXXCIRZADXPQ-IBGZPJMESA-N 359.385 3.484 10 1 FGCF COc1ccc(OC)c([C@H](O)[C@@H](C)NCc2cc(Cl)ccc2O)c1 45191176 XVLOPOLQURRPGC-ADLMAVQZSA-N 351.830 3.275 10 1 FGCF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)C=[N+]=[N-])[C@H]3CC[C@@H]12 26384300 VYFIQXXVEPQANM-KWPNPJEOSA-N 357.498 3.336 10 1 FGCF CC(=O)N[C@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149969842 KBVKWLUVDSQGKC-CQSZACIVSA-N 352.434 3.259 10 1 FGCF O=C([C@@H]1Cc2ccccc2[C@H](c2c(F)ccc(F)c2O)N1)C(F)(F)F 962728360 DWZCEFVUVUGVBD-GXTWGEPZSA-N 357.278 3.406 10 1 FGCF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccnc2)c1O 169306963 NPTLZJPUQVHVMH-VHEBQXMUSA-N 369.366 3.066 10 1 FGCF CC(C)(O)[C@H]1CC[C@](C)(C=CC=C2C=C(c3cc(O)ccc3O)OC2=O)O1 2356325647 ZCBZIKUEIKEDHK-NQIIRXRSSA-N 372.417 3.187 10 1 FGCF CC(C)(C)n1nnnc1[C@@H](c1ccccc1O)N1CCc2ccccc2C1 1772598465 IMRUQFXDMMRIQV-LJQANCHMSA-N 363.465 3.281 10 1 FGCF O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccncc1 169327324 ROMLZWHDNCJFFU-ZROIWOOFSA-N 357.416 3.391 10 1 FGCF CCCOc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12 27731001 UCPDBNLGARZROM-UHFFFAOYSA-N 366.465 3.050 10 1 FGCF CCOc1ccccc1N(CC)S(=O)(=O)c1cccc2nsnc12 2457895 XXCUQXZVISESMU-UHFFFAOYSA-N 363.464 3.305 10 1 FGCF CC1(C)OC(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)O1 96929598 YFDKYTSWZVLKCX-UHFFFAOYSA-N 350.168 3.150 10 1 FGCF CCOc1ccc(N2CC(Oc3ccc(C[C@H](C)NC(C)=O)cc3)C2)cc1 96172846 IVCFLXZKNJLREI-INIZCTEOSA-N 368.477 3.420 10 1 FGCF CCN(CC)/N=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 8576162 ZPZPFNTYBRUKJR-VZCXRCSSSA-N 362.459 3.235 10 1 FGCF Nc1cccc(O)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587250793 RVTWQCKEVPFPCS-UHFFFAOYSA-N 355.353 3.293 10 1 FGCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 103287761 YLZBGPXHBURJCU-GJZGRUSLSA-N 374.736 3.304 10 1 FGCF COc1ccc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)cc1 1857751362 LOQRZZXVGBLRSO-UHFFFAOYSA-N 356.495 3.226 10 1 FGCF NN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S 1857746103 OUXJSHUHXIBHJM-KMKOMSMNSA-N 354.254 3.005 10 1 FGCF O=C(Cn1ccnc1/N=N/c1ccc(C(F)(F)F)cc1)N1CCOCC1 1772603715 LTCOKKQURBUMLV-QURGRASLSA-N 367.331 3.176 10 1 FGCF CCCC/C=C/c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 13374856 RTXQNGWQTJTHCK-AATRIKPKSA-N 354.358 3.488 10 1 FGCF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1 209441003 FWTYEPRUFWTQLO-SJORKVTESA-N 362.433 3.037 10 1 FGCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCN=[N+]=[N-])c2ccccc21 587390923 SKJNSRIZZCAICM-IBGZPJMESA-N 363.377 3.095 10 1 FGCF O=c1[nH]c2cc(Br)ccc2n1Cc1cc(Cl)ccc1O 29394306 AGYJLMUMHOIIJD-UHFFFAOYSA-N 353.603 3.499 10 1 FGCF CCc1ccc(O)c2c1[C@H](C)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962924638 UPLVWRPAOPEJFJ-DBLBYYFGSA-N 355.409 3.443 10 1 FGCF