smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049516 KGMZEZVYHCEUSU-WBVHZDCISA-N 362.788 2.679 0 1 FFAF CO[C@]12C[C@@H]3[C@H](C[C@H](O)[C@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 2356426867 JNDRQMIRNBREKL-PQAKSGCUSA-N 364.482 2.797 0 1 FFAF O=C(O)CN1C(=O)[C@@H](Sc2ccc(C(=O)O)cc2)CCc2ccccc21 53297258 HJCLATXFJKXQMB-INIZCTEOSA-N 371.414 2.910 0 1 FFAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncn2)cc1 21289881 WJRQWYZLSMKAKQ-UHFFFAOYSA-N 367.428 2.869 0 1 FFAF CCCSc1nc(C)ncc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550188 UKKFANHUOPPJCJ-MADQMLOQSA-N 361.511 2.957 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1cccs1 2356305155 QGYJXIIXLFFBIC-AOIWGVFYSA-N 358.463 2.591 0 1 FFAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356527422 HKSGHIIBMAMKKZ-FYRWKJNJSA-N 350.499 2.537 0 1 FFAF O=C(O)c1cn(Cc2ccc3c(c2)CC[C@@H]3O)c2cccc(F)c2c1=O 71341532 AUISFPQBEJOBIF-KRWDZBQOSA-N 353.349 2.867 0 1 FFAF CCOC(=O)/C(=C\NCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 31905319 DPFOWMWRXFKCFF-KAMYIIQDSA-N 365.389 2.985 0 1 FFAF CC(C)Oc1cc(N2CCOCC2)nc2c(-c3ccnn3C)nccc12 1911570973 AMVWBDBIBGHWJX-UHFFFAOYSA-N 353.426 2.654 0 1 FFAF O=c1c(CO)cc(-c2ccc(F)nc2F)nn1Cc1ccc(Cl)cc1 1911581284 PMXPZVGMHOZVQW-UHFFFAOYSA-N 363.751 2.778 0 1 FFAF O=C1NC(NCc2ccc(Cl)cc2)=N/C1=C\c1c[nH]c2ncccc12 40972872 NXKCOVRTKHPIOI-NVNXTCNLSA-N 351.797 2.833 0 1 FFAF Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 49539862 QKYQQMUTBFBFCT-VAWYXSNFSA-N 373.478 2.993 0 1 FFAF CC[C@H]1C[C@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40897701 MZMYOBYFXFJPSM-JSGCOSHPSA-N 352.822 2.701 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H]([C@H]3CCCO3)C[C@H]2CS1 221403578 AYIXLNDRJRRIAH-XROQYSKISA-N 354.422 2.806 0 1 FFAF N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O 84689290 ZHXGZAJMVJXVKB-INIZCTEOSA-N 368.824 2.599 0 1 FFAF COc1nc2c(cc1C(=O)N1CCC1)[C@](O)(C(F)(F)F)c1ccccc1-2 143266175 JURBRSSREGIVGJ-KRWDZBQOSA-N 364.323 2.715 0 1 FFAF NC(=O)O[C@@H](CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1 95574928 BTBQWSDNKCARCK-IBGZPJMESA-N 373.428 2.880 0 1 FFAF COc1ccc2c(c1)n(O)c(-c1ccc(Br)cc1)c(N)[n+]2=O 377840446 GAWKCXOUEYTVLD-UHFFFAOYSA-N 363.191 2.813 0 1 FFAF Nc1ncnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586999233 WMXZSXZNPWBAOL-UPHRSURJSA-N 360.171 2.597 0 1 FFAF Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587743637 FAQLICUFXWJJMV-JKYUHCHBSA-N 351.223 2.723 0 1 FFAF Clc1ccnc2[nH]c(-c3nccnc3I)nc12 587186662 NTOXRSJSULKLFC-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF Oc1nc(O)c2ccc(-c3cc(Br)cc(F)c3O)nc2n1 587368074 HPLFMQTVNKRSBS-UHFFFAOYSA-N 352.119 2.710 0 1 FFAF Cc1cn(C2CCN(Cc3ccnc4ccccc34)CC2)c(=O)nc1O 1772627895 PVBXRAOUNJYPMH-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CCN(C(C)=O)C3)cc1 13442771 JUNZEYZCCOVXGD-UHFFFAOYSA-N 372.446 2.851 0 1 FFAF Cc1nc(-c2cnn(C)c2-c2ccc(F)cc2)c2c(N3CCC3)ncnn12 169697386 COLQZQQGLHXCSQ-UHFFFAOYSA-N 363.400 2.849 0 1 FFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@@H]3CCc4n[nH]cc4C3)nc12 1857752097 QYHDMAJURANCPL-OAHLLOKOSA-N 362.412 2.958 0 1 FFAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NC[C@H](O)c1ccccc1 771740 FTZPDSDPPAJADB-LAUBAEHRSA-N 368.433 2.676 0 1 FFAF O=C(C1CCOCC1)N1CCCN(c2nc(-c3ccccc3)ns2)CC1 59275613 IESZJRXOTMALFU-UHFFFAOYSA-N 372.494 2.670 0 1 FFAF CCN1CCCC[C@H](NC(=O)c2cc3nnn(C(C)C)c3cc2OC)C1 29570070 DYTLRAFIXKZLJB-AWEZNQCLSA-N 359.474 2.625 0 1 FFAF COc1cccc2c(O)c3c(c(O)c12)C(=O)C[C@](C)(O)[C@@H]3[C@@H](C)OC(C)=O 2356799796 UWKGMILNJMBASL-KQBGUWBVSA-N 374.389 2.632 0 1 FFAF COCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)OC)[C@H]1C 195349239 RSVJFSYTDHCFMC-DDTOSNHZSA-N 374.359 2.596 0 1 FFAF CN(c1ncccn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 145886953 LVDCOUQGTJERAC-ZDUSSCGKSA-N 354.385 2.649 0 1 FFAF O=c1c2cc3c(cc2ncn1Cc1cccc(Br)c1)OCCO3 653711405 GQUCJCZHHZOTED-UHFFFAOYSA-N 373.206 2.979 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1F)[C@@H](C2)C3=O 587426834 QJXJNQXZZQVJAJ-UGSOOPFHSA-N 362.378 2.727 0 1 FFAF CC1(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)OCCO1 587659906 JIJHVCJNLXPQOM-UHFFFAOYSA-N 368.364 2.996 0 1 FFAF Cc1cc2c(cc1O)[C@H](c1cccn1C(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963465232 AGEBFYMLUMQVOF-WMLDXEAASA-N 372.421 2.974 0 1 FFAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1N(C)C 963222276 GHSRNWDPOGYZQB-RTBURBONSA-N 362.433 2.693 0 1 FFAF CCOC(=O)[C@@]1(CCc2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962913847 RMJZVZASIFYKMZ-UWJYYQICSA-N 371.408 2.816 0 1 FFAF C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962929272 IHVYYNNESPCGQB-CQURBHOASA-N 358.482 2.886 0 1 FFAF NC(=O)[C@]1(c2c(O)[nH]c3ccccc23)c2c(F)cccc2C[C@@H]2CCCN21 963107942 KMCXDBNYUIGVAA-YEJXKQKISA-N 365.408 2.762 0 1 FFAF COc1ccc2c(c1)[C@@]1(C=CN2CC(C)=O)NCCc2nc3ccccn3c21 962993584 KEGOGYXKWWQLRE-JOCHJYFZSA-N 374.444 2.655 0 1 FFAF CCOC(=O)/C=C/c1ccnc2c1NC(=O)c1cccnc1N2C1CC1 5843769 KERJMCSPJPMIQJ-VMPITWQZSA-N 350.378 2.919 0 1 FFAF Cc1cccnc1CNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11938419 LBFMYFLKBMPGPR-KRWDZBQOSA-N 369.440 2.627 0 3 FFAF CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13116852 SFWQJLUQLRSSCF-ABFRBSLYSA-N 357.406 2.961 0 1 FFAF CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CCCCCCC1 3894667 PSIVDZGBAJMPQU-GOSISDBHSA-N 364.511 2.602 0 1 FFAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1 117385146 RGTWWHHUVOLGDF-CYBMUJFWSA-N 353.422 2.560 0 1 FFAF COCCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12 61927965 WTHPMFVFXLROJQ-UHFFFAOYSA-N 352.390 2.965 0 3 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@@H](O)[C@H]23)ccc1O 34203253 REZVXIYYURPOSL-LYKZECMFSA-N 374.389 2.509 0 1 FFAF CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H]2CCCN2C1=O 3875216 GLWYBXPXOSKQAW-MOPGFXCFSA-N 351.450 2.709 0 1 FFAF biogenic COCc1c(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)noc1C 72133172 WORYELQAKMLUBO-KRWDZBQOSA-N 357.454 2.866 0 1 FFAF COc1cc(OC)c(S(=O)(=O)Nc2ccccc2F)cc1NC(C)=O 73273610 BZJKDIURKBPHOU-UHFFFAOYSA-N 368.386 2.602 0 1 FFAF O=C(NCc1ccccc1[S@@](=O)c1ccccc1CO)C(F)(F)F 45303064 QXLRKZZDHOMFSQ-DEOSSOPVSA-N 357.353 2.524 0 1 FFAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(CC)n1 82073540 FNQUATIGSKLGLS-AWEZNQCLSA-N 354.472 2.670 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 199267471 GNCMHKZURMGBHQ-ZBFHGGJFSA-N 366.483 2.707 0 3 FFAF CC[S@@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(F)cc1F 96930147 BYGKUAPBOBUHDD-GOTSBHOMSA-N 365.467 2.814 0 1 FFAF C[C@H](c1ccccc1)n1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12 95587569 XOILFTDAJVOQGJ-MRXNPFEDSA-N 373.460 2.668 0 1 FFAF OC[C@@H]1CCCN1c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140217131 HAHAZJXIVVZJCE-KRWDZBQOSA-N 361.449 2.590 0 1 FFAF COc1ccc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC 86043538 FYOTVUDLKBICQX-VWKPWSFCSA-N 372.417 2.971 0 1 FFAF biogenic c1ccc(CCCN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@@H]32)cc1 36364032 GACJMTBHCAXEIS-CIAFKFPVSA-N 353.462 2.960 0 1 FFAF biogenic c1cncc(-c2ccc(-c3nnnn3CCCCN3CCOCC3)cc2)c1 299832473 MDSHYXWVHMWJSM-UHFFFAOYSA-N 364.453 2.515 0 1 FFAF CC[C@@H]1CNC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799470 XHKLRCOWYFYQOE-YRXQGLPXSA-N 355.251 2.864 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586962671 UNYRQRHJDQBUOS-RXMQYKEDSA-N 367.337 2.816 0 1 FFAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910320 OLWNEUZYXKIOST-QMMMGPOBSA-N 362.329 2.666 0 1 FFAF COc1nccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587110843 DZPSQNMPDWZRKR-UHFFFAOYSA-N 350.300 2.915 0 1 FFAF C[C@H]1[C@H](C)[C@@](O)(c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)[C@@H]1O 685935684 ZINGKVZTZNKXIN-HFKQSJLRSA-N 356.374 2.699 0 1 FFAF biogenic,in-vitro COc1ccc(-c2cc(=O)c3c(O)c(/C=C/C(=O)O)c(O)cc3o2)cc1O 14768379 YGQFRAJVEBXHHA-HWKANZROSA-N 370.313 2.683 0 1 FFAF COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccccc1F)N(C)C2=O 4563248 WPMCPAWLVWCAPO-DLBZAZTESA-N 359.353 2.838 0 1 FFAF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 104267368 YMTWNUQMSIPQAH-CKYFFXLPSA-N 351.305 2.702 0 1 FFAF O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862366 DOJKPUAGTKRXCL-CQSZACIVSA-N 359.426 2.933 0 1 FFAF COc1ccc(CNC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 101948071 ZFKYZCNRVJGMAE-FVQBIDKESA-N 361.438 2.690 0 1 FFAF CC(C)(O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@@H]1O 28096245 KFBQRZHPKRMWKO-WKHGPKRUSA-N 371.521 2.828 0 1 FFAF COc1cc([C@H]2CN=C(c3ccc4nccn4c3)O2)cc(OC)c1OC 27525632 OXMOWFIQTZQADK-MRXNPFEDSA-N 353.378 2.878 0 1 FFAF CC[C@H](C)[C@H]1NC(=O)[C@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1 2356790494 FQQOZLHPNGWWQX-GLQYFDAESA-N 359.426 2.551 0 1 FFAF O=C(c1cc2ccccc2o1)N1CCN(CCOc2cccnc2)CC1 205941987 XZGWAEHXRURBSM-UHFFFAOYSA-N 351.406 2.665 0 1 FFAF COc1ccc(OCC(=O)O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 36127046 CMZWOULGVCEVGX-UHFFFAOYSA-N 352.346 2.575 0 1 FFAF COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](Cl)c1ccccc1 16921916 CWMHUPHLHLCPCS-JKSUJKDBSA-N 367.854 2.795 0 1 FFAF biogenic CCC[C@H](O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1 40380384 GNNLSZAYUVLNTH-HNNXBMFYSA-N 374.441 2.543 0 1 FFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1N 82207708 DLKXHOFIICXKTB-LORLSUQVSA-N 373.497 2.637 0 1 FFAF CC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3CC[C@@]12O 255285592 YVKJIENODNSQSU-PWAYDTSZSA-N 350.499 2.825 0 1 FFAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)c(Cl)c2)cc1 299836931 IQYRSDPKKQXLHW-UHFFFAOYSA-N 357.794 2.743 0 1 FFAF CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1 299863903 QDUBHFRNBXQMGQ-MSOLQXFVSA-N 362.566 2.954 0 1 FFAF COc1ccc(-c2nc(-c3ccc(CCC(N)(CO)CO)cc3)co2)cc1 299832861 GSVVJJSVWOXMMB-UHFFFAOYSA-N 368.433 2.632 0 1 FFAF CC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(C(=O)O)c2)c1 653702307 VABJBNULPYTNHF-UHFFFAOYSA-N 368.389 2.676 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431091 YRHJFEDDZUPFBE-DDEABRGPSA-N 359.422 2.600 0 1 FFAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938661 YGJKISHAWYHUFR-YPMLDQLKSA-N 353.378 2.740 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(F)(F)F)cc2[nH]1 587204677 QYLXYNBWEKXHAI-LBPRGKRZSA-N 356.348 2.661 0 1 FFAF O=C(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)OCc1ccccc1 587782197 IJUTWUIQJVTZSZ-UHFFFAOYSA-N 365.433 2.681 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C[C@@]4(C(N)=O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587431835 HXCAQOJARHWDMX-KAIZKOENSA-N 355.434 2.883 0 1 FFAF CCn1ncc([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1C 963231848 ZZRJSPMFQZKKGX-ICSRJNTNSA-N 350.422 2.622 0 1 FFAF CCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCC 5820131 SFZZRGHNPILUOD-ZDUSSCGKSA-N 368.363 2.711 0 1 FFAF Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472320 OPNAVJJOJBREBM-UHFFFAOYSA-N 374.364 2.915 0 1 FFAF Cc1ccc(Sc2cncc3sc(C(=O)NC[C@@H](O)CO)cc23)cc1 13862332 BIPSSPQUWRNOHP-GFCCVEGCSA-N 374.487 2.839 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccco1 169351541 AWALCQKIUSENAY-OUCYCTAWSA-N 360.406 2.864 0 1 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccccc3Cl)cc12 166050004 MLIKFCLMFRVLLB-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF C[C@@H](CC(=O)NCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 6914193 CIAGEOQBTDXEJU-CQSZACIVSA-N 371.462 2.932 0 1 FFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@H]1c1cc[nH]c1C[C@]34C 2356296739 NSOXQZVUDLTNIG-RSBIYZGASA-N 357.450 2.869 0 1 FFAF COc1cncc(-c2cnc3sc(NCCc4ccccn4)nn23)c1 61902940 ZJYMAAWQZNWJJG-UHFFFAOYSA-N 352.423 2.911 0 3 FFAF O=C(NC[C@H]1CCCNC1)c1ccc(O)c2nc(-c3ccccc3)[nH]c12 118661512 QUHAKLIRTFIRPF-ZDUSSCGKSA-N 350.422 2.665 0 1 FFAF COCCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)CC1 61925944 HHZVZBMBZAVGET-SFHVURJKSA-N 368.477 2.774 0 3 FFAF COc1ccc2c(c1OC)[C@@H](O)N1CCc3cc4c(cc3C1=C2)OCO4 2024039 ZRBGFWOXAQPDTH-HXUWFJFHSA-N 353.374 2.793 0 1 FFAF biogenic COc1cc([C@]2(COC(=O)C(C)C)CO2)c(OC(=O)C(C)C)cc1C 15169462 DLCZVSYTBSFKCX-IBGZPJMESA-N 350.411 2.990 0 1 FFAF biogenic COc1ccc2c(c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@H]1C2)OCO3 14715064 NFJJJWVGDBCSKG-ZFWWWQNUSA-N 368.385 2.987 0 1 FFAF biogenic Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)co1 82070324 GNUSQXWVSRLSOV-KRWDZBQOSA-N 373.453 2.509 0 1 FFAF COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@@H]3CO)ccc1O 145715641 KBWKVVULAPXWFJ-AFHBHXEDSA-N 358.390 2.557 0 1 FFAF C[C@@H](O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 143287800 JPUORMGBAFLKFE-CYBMUJFWSA-N 371.458 2.835 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)O2 587385209 AOJNJHRJDMTHLZ-KSSFIOAISA-N 350.390 2.870 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cc(N)c(N)cc2[nH]1)C[C@H]1CCCO1 587197126 JJSQWXRTLRSFIX-LLVKDONJSA-N 361.446 2.643 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 587963480 XTOBJOWWSZECNQ-GFCCVEGCSA-N 367.471 2.637 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(C1CC1)C(=O)C2 587583283 REIJNFUZOUZRHD-WIYYLYMNSA-N 365.385 2.877 0 1 FFAF COc1cc(Cc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC 5891579 XUIJYXWWCHQIJA-UHFFFAOYSA-N 360.439 2.781 0 1 FFAF CN(C)CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12 13489662 KPVCGFZWGAYXMV-UHFFFAOYSA-N 360.368 2.578 0 1 FFAF O=C1CCc2ccc(OCCN3CCOCC3)cc2N1Cc1ccccc1 169308727 VDNZKXAGUMZERR-UHFFFAOYSA-N 366.461 2.877 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1cccnc1 169351545 XSKMJQHSFXEGQT-DUHMTSJKSA-N 371.433 2.666 0 1 FFAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@@H]4[C@H](C2)N(CC2CCC2)CC[C@@]341 169373174 FKJWXENQWKBJRW-KOOVSDLSSA-N 367.489 2.751 0 1 FFAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2c1NON2 169729108 SUTDNAJEGAQKHN-GDBMZVCRSA-N 373.409 2.944 0 1 FFAF CCCNS(=O)(=O)N[C@@H]1CCCc2c(-c3ccc(C#N)cc3)cncc21 205705502 LRAYCCYELAJUSB-LJQANCHMSA-N 370.478 2.832 0 1 FFAF CCCC(=O)OCSc1ccccc1C(=O)NCCCCNC(C)=O 1857555688 ISEKPOGMOPEXIU-UHFFFAOYSA-N 366.483 2.726 0 1 FFAF C[C@@H](c1ccccc1)N1CCN(c2cnnc(O)c2Br)CC1 1857620272 RINUCCVFNORVNO-LBPRGKRZSA-N 363.259 2.828 0 1 FFAF COc1cc([C@@H]2Oc3ccc(C=CCO)cc3[C@@H]2CO)cc(OC)c1OC 2356332452 FKFHXYWDVKLRMA-JXFKEZNVSA-N 372.417 2.928 0 1 FFAF Cc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12 28950726 VBFOQJUDSYRBDR-UHFFFAOYSA-N 353.451 2.782 0 1 FFAF O[C@@H](CCN1CCN(c2ccccn2)CC1)COc1ccc(Cl)cc1 29485526 OUFNHXOCUGYGDY-KRWDZBQOSA-N 361.873 2.687 0 1 FFAF CC(C)CCc1cc(O)cc2c1C(=O)C[C@](O)(Cc1cc(O)cc(=O)o1)O2 2356633393 WSKDFXRYQXJQNT-FQEVSTJZSA-N 374.389 2.536 0 1 FFAF CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273318 WKAHNIDYDJZSBO-RISCZKNCSA-N 352.822 2.701 0 1 FFAF Oc1ccc(O)c2c1[C@H](O)[C@@H]1O[C@@H]1C21Oc2cccc3cccc(c23)O1 14636410 YUSPOKSZSCPJJV-FHWLQOOXSA-N 350.326 2.690 0 1 FFAF biogenic O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21 45299987 APGISPPDWLSWQA-CQSZACIVSA-N 367.424 2.956 0 1 FFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CCC1 149347968 PJPRYDGDPQCJSJ-INIZCTEOSA-N 372.490 2.970 0 1 FFAF CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 96085919 HGLNJXVDQPBAOO-SJORKVTESA-N 363.417 2.773 0 1 FFAF biogenic,in-vitro CC(C)(C)OC(=O)NC1(c2nc3ccc(CO)cc3[nH]2)CCC(=O)CC1 587234103 FXPIZHIUQJKAIF-UHFFFAOYSA-N 359.426 2.918 0 1 FFAF Nc1cccc(C(=O)O)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587248222 IQKKWHDXMDTMBK-UHFFFAOYSA-N 357.679 2.924 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(F)cc31)O2 587386308 XJZUDXQKENPIRD-IBGZPJMESA-N 355.321 2.938 0 1 FFAF CCn1cc(Br)c(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)n1 586999949 GFMCYVFBGIXZRO-UHFFFAOYSA-N 367.178 2.970 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587259562 FAECRBTXAWAFEK-NSHDSACASA-N 364.327 2.803 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc(OC)c(OC)cc3[nH]2)cc1 586920113 FBCTWALDAQNEHX-UHFFFAOYSA-N 362.407 2.563 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587090939 CBQLHFJZVFDLJY-UHFFFAOYSA-N 371.340 2.970 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(cnc4ccccc43)[nH]2)c1 586937368 ZDZSBQHLIKPHNZ-UHFFFAOYSA-N 355.423 2.793 0 1 FFAF COc1cc2c(cc1OC)[C@H](c1cnc(SC)nc1N)N(C)[C@@H](C)C2 962625329 MZLFHCXSPLRKSC-MGPLVRAMSA-N 360.483 2.764 0 1 FFAF Nc1ncc(Cn2cc(-c3ccc(F)c(F)c3)c3cnccc32)c(N)n1 1772632422 CSKFRACRXDNXRT-UHFFFAOYSA-N 352.348 2.984 0 1 FFAF O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 13451361 IQRVVSJZXLQUGR-YOEHRIQHSA-N 364.873 2.821 0 1 FFAF CCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21 14958580 OPUUNQCCYCLCPC-UHFFFAOYSA-N 366.400 2.933 0 1 FFAF C[C@@H]1C[C@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 169727707 UKVAEISSAVZLLZ-MLGOLLRUSA-N 363.421 2.928 0 1 FFAF O[C@H]1OCC(=Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 2356412503 RQGZJVFHVYJECB-QRWLVFNGSA-N 354.358 2.735 0 1 FFAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O 3939648 SCACHXWSWJBIHG-DZGCQCFKSA-N 369.473 2.986 0 1 FFAF CC(C)[C@@]12C[C@H](O)C(=O)[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@]31O2 59779061 RSAYSRGOTMBJBX-YJZUFVEMSA-N 350.455 2.791 0 1 FFAF CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C(=O)OC)C(C)C 102010478 BIODKAMHLHVLIO-GLUHHBOGSA-N 368.518 2.657 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)C2C[C@H]3CCC[C@@H]3C2)CC1 28259201 LVSNRIKAZSXEPP-QZTJIDSGSA-N 371.525 2.760 0 1 FFAF C[C@H](CCn1c(=O)oc2ncccc21)N1CCN(c2ccc(F)cc2)CC1 28263854 JBLLITFWSLLWJG-OAHLLOKOSA-N 370.428 2.729 0 1 FFAF COc1ccc(C2=NC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1N 27441014 CDLJULDMUOQSLR-QGZVFWFLSA-N 358.394 2.821 0 1 FFAF CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 64539312 NFXFNBIPWUYEIM-WXFUMESZSA-N 372.468 2.968 0 1 FFAF CN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O 40421609 VOSPMAIPFZNKCO-CXSYMGSUSA-N 367.236 2.569 0 1 FFAF COc1cc(O)c2c(=O)c(O)c(-c3ccccc3O)oc2c1OC(C)=O 14644301 SANAXJKBUXIFPH-UHFFFAOYSA-N 358.302 2.511 0 1 FFAF biogenic COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C1=CCOC1=O 14827341 MHRCICBXWGKYFB-CRAIPNDOSA-N 364.401 2.627 0 1 FFAF biogenic CCn1cc(CN2C(=N)NC(c3ccccc3)(c3ccccc3)C2=O)cn1 45168137 UETPCNQXJUEADO-UHFFFAOYSA-N 359.433 2.713 0 1 FFAF CN(Cc1nc2cccc(CNCCN)c2[nH]1)[C@@H]1CCCc2cccnc21 45255352 KZTWYBMMGBUMJF-GOSISDBHSA-N 364.497 2.516 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(=O)O)cc3)CC2)c1 198399692 YILNQPLXEQQZIT-UHFFFAOYSA-N 370.478 2.916 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]21 199267513 GNCMHKZURMGBHQ-GOEBONIOSA-N 366.483 2.707 0 3 FFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95667183 MRYRMEABGAMLAI-VQTJNVASSA-N 371.525 2.811 0 1 FFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCCCC1 299822605 RRYFECCPZIZXEK-UHFFFAOYSA-N 372.425 2.742 0 1 FFAF CN(C)C(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 587197692 SPMQMHNBGDRHNQ-UHFFFAOYSA-N 361.037 2.719 0 1 FFAF C[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346170 LKMIQRYMXAJSFB-RTXGADQUSA-N 355.365 2.785 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586929455 DBOJYANAWAHETF-UHFFFAOYSA-N 357.222 2.720 0 1 FFAF CC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586950852 DXZFDVKWUPSYJV-UHFFFAOYSA-N 350.425 2.569 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncc1N 587868075 UNKHKNFHSRTYTN-UHFFFAOYSA-N 363.299 2.638 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCCO)cc1)(C(C)(C)O)O2 587401769 YGNMOGBORDILDW-OAQYLSRUSA-N 371.433 2.580 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1nccn1C)[C@@H](C2)C3=O 587431641 PULKYDXHECJZKY-HRAATJIYSA-N 361.401 2.702 0 1 FFAF COC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1OC 587158326 WJRBAKJONHXMDI-BLVKFPJESA-N 355.369 2.839 0 1 FFAF CCOC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587833763 IAUXKLCXCBQQJA-ABYOOWDOSA-N 372.234 2.527 0 1 FFAF Ic1nccnc1-c1nc2cc3cn[nH]c3cc2[nH]1 587186859 XGJKBYPYDAKADL-UHFFFAOYSA-N 362.134 2.501 0 1 FFAF COc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 586940586 ANSJWDPAZLUHAN-KTKRTIGZSA-N 357.435 2.970 0 1 FFAF CCN(CC)C(=O)COc1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963329074 KMYYUTRMQFOXRJ-OAQYLSRUSA-N 354.450 2.875 0 1 FFAF COc1ccc(Oc2ccc3cc4n(c(=O)c3c2)C(=S)NC4=O)cc1 1772638370 MBQXDNGGYJAFEW-UHFFFAOYSA-N 352.371 2.679 0 1 FFAF CC[C@]1(c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCC(=O)NC1=O 5941328 JFDWFMLZMRVNIZ-OAQYLSRUSA-N 362.385 2.572 0 1 FFAF Nc1nc(-c2ccccn2)nc(N2CCOCC2)c1Cc1ccccc1F 116190956 TVMSDOHGBPTUOW-UHFFFAOYSA-N 365.412 2.687 0 1 FFAF CC(C)CS(=O)(=O)N[C@@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356383305 IYVSXAPWDUUCTG-JTQLQIEISA-N 370.402 2.815 0 1 FFAF COc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 114573480 OVJTVDMKFSMIMQ-CYBMUJFWSA-N 356.451 2.557 0 1 FFAF O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)C1CCCCC1 27558385 XFPLGZWSRZLHHH-SFHVURJKSA-N 372.465 2.698 0 1 FFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCCC2)n1 2356741186 SFFIYDYBLKAOFA-WJFTUGDTSA-N 361.530 2.597 0 1 FFAF FC(F)(F)c1ccccc1-c1nccc(NCCN2CCOCC2)n1 33361841 JZJWYPBMRXVJJB-UHFFFAOYSA-N 352.360 2.907 0 1 FFAF COc1c(OC[C@@H]2O[C@]2(C)C[C@@H]2C[C@H](C)C(=O)O2)ccc2ccc(=O)oc12 13360884 NMUNRSJTWXAARD-SPEXSUQZSA-N 374.389 2.680 0 1 FFAF biogenic CCOC(=O)C[C@H](O)C[C@H](O)CC[C@@]1(O)[C@H]2CC[C@@H](C)C=C2C=C[C@H]1C 13368659 VFIPZJOPEDUMRU-RLEVUBSISA-N 366.498 2.741 0 1 FFAF biogenic CN(CCN)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 45284423 DYCKRAROOWWZRW-UHFFFAOYSA-N 354.841 2.792 0 1 FFAF CN1CCN(Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)CC1 40913720 RPQQHWWKQZCQQO-UHFFFAOYSA-N 366.494 2.670 0 1 FFAF COC(=O)[C@@]1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 95486307 NVCAZSJTTWNUBW-WNGKTIDCSA-N 362.466 2.893 0 1 FFAF biogenic,in-vitro CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O 473154236 FOHCVERSZXEQDN-UHFFFAOYSA-N 363.417 2.632 0 1 FFAF CC(C)[C@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587198375 ZUGLGZWKPBIUHU-SECBINFHSA-N 353.448 2.911 0 1 FFAF COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1C=O 587398553 FJKMSXXFJSAZFS-INIZCTEOSA-N 357.362 2.819 0 1 FFAF O=C(Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Br)cc1 587366201 LABWZDDMEOHJDP-UHFFFAOYSA-N 360.167 2.624 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 587790489 CZCUFOGULJJUFI-ZIDLFYJRSA-N 368.206 2.807 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnncc2[nH]1 587000110 GDEOBUVEBIXRAE-NSHDSACASA-N 357.215 2.839 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802926 ONGVYYCXYNLKMY-FUXBKTLASA-N 368.206 2.722 0 1 FFAF COc1cc(-c2nc3cccc(O)c3[nH]2)ccc1OCC(=O)NC(C)C 587225637 UAQWLYKYAONLLO-UHFFFAOYSA-N 355.394 2.848 0 1 FFAF CCOC(=O)C[C@]1(C[C@H](O)c2ccccc2)NCCc2ccc(O)cc21 963341941 OVDJKAWWSAIDRI-FPOVZHCZSA-N 355.434 2.810 0 1 FFAF COc1cc2c(cc1OC)[C@](CN)(c1ccccc1OC)N(C)[C@@H](C)C2 962618875 CLNPGTSHQCBPGW-QKKBWIMNSA-N 356.466 2.791 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C)N([C@@H](C)C(=O)O)C(=O)C2)N1 962941943 FLDJUFHVGVZNIN-QTCYRWPVSA-N 367.449 2.897 0 1 FFAF CC1(C)OC[C@@H](Cn2cc([C@H](O)c3ccc(C(F)(F)F)cc3)nn2)O1 1772592368 CQDIITHCXYUYOT-TZMCWYRMSA-N 357.332 2.530 0 1 FFAF COCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1 13571023 FUTHFTNTSQLYPM-UHFFFAOYSA-N 363.483 2.909 0 3 FFAF CC1(C)c2c(-c3noc(C4CC4)n3)ncn2-c2ccccc2N1C(N)=O 13745321 ALVMUILGFILTEI-UHFFFAOYSA-N 350.382 2.934 0 1 FFAF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 5132658 RGXKJLTVROJBKZ-NWERNARMSA-N 354.450 2.815 0 1 FFAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](C4=CC(=O)O[C@H]4O)O[C@]3(CO)CC[C@H]12 5852693 KRFXWKURJSADKH-ROYZRQNSSA-N 350.455 2.551 0 1 FFAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O 2356295143 TXAIBRPDAAKMMB-JSGCOSHPSA-N 360.410 2.655 0 1 FFAF CCOC(=O)CN1C(=O)S[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O 103294038 BPUZNVWHPZOTOJ-LLVKDONJSA-N 361.341 2.875 0 1 FFAF CCOC(=O)[C@H]1S[C@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 100583564 XECIQQVBKABCHR-SWHYSGLUSA-N 363.357 2.606 0 1 FFAF CN(C(=O)[C@H](NC=O)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 28134490 CHVXTEQDNHHDKN-NHCUHLMSSA-N 365.477 2.769 0 1 FFAF CC1(C)[C@H]2CC[C@](C)(O)[C@H](CCC3=CC(=O)O[C@@H]3O)[C@@]2(C)CC[C@H]1O 2356411188 YGMAOOZMYPQPHU-WLCXVKOPSA-N 352.471 2.533 0 1 FFAF CN(C)c1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 29047349 FAUUSUIGZZQJGV-UHFFFAOYSA-N 362.393 2.910 0 1 FFAF CC(=O)NC1C[C@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 102234459 YWOCPCONMFAOJO-HUUCEWRRSA-N 356.875 2.550 0 1 FFAF COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 27519085 SWOCNAZMBQHTAS-IRXDYDNUSA-N 373.380 2.615 0 1 FFAF COc1ccccc1NC(=S)OCCNC(=O)c1ccccc1C(=O)O 28520454 ANPRZRXUGNNQGS-UHFFFAOYSA-N 374.418 2.537 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C]3c4[nH]c5ccccc5c4C=CN3C[C@@H]2CC[C@H]1O 2356824372 AHBMMSMODVSWLF-SRRFXAJZSA-N 351.426 2.914 0 1 FFAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1 45505818 JRWJUADDJQQVNS-GOSISDBHSA-N 367.449 2.809 0 1 FFAF CC(=O)NCCn1c(CC(C)C)nc2c(NCc3cccs3)ncnc21 82178544 URUIUMPBQZLOMA-UHFFFAOYSA-N 372.498 2.835 0 1 FFAF Nc1ncc(-c2cc(N3[C@H]4CCC[C@H]3CC4)nc(N3CC4CC3C4)n2)cn1 221190512 JBAGNQPRECKCRJ-ZTTSNEECSA-N 363.469 2.636 0 1 FFAF O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 45347298 UUYPAUYUBZWJQH-SIFUEBAJSA-N 372.808 2.951 0 1 FFAF CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(OC)c3)nc2n1 149759581 LBYOKLSZLMKBIX-UHFFFAOYSA-N 353.382 2.850 0 1 FFAF Cc1c(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnn1C 147830201 QUKCRTQLRUGASS-UKRRQHHQSA-N 350.422 2.847 0 1 FFAF O=C1COc2ccc(NC(=O)NC[C@@H]3COc4ccc(F)cc4C3)cc2N1 143408593 QSJNONJRQGPINU-LLVKDONJSA-N 371.368 2.529 0 1 FFAF COC(=O)c1cccc(Cn2ccc3cc(OC)c(OC)cc3c2=O)c1 653748864 ZTUFHYYTKYPRHW-UHFFFAOYSA-N 353.374 2.854 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(F)cc21 587384746 OGEMDRLYNKWSIR-LJQANCHMSA-N 355.321 2.938 0 1 FFAF Cc1c(I)cnn1[C@@H](C)c1nc2cccc(O)c2[nH]1 587182447 OZTMNXDMLVMTNZ-QMMMGPOBSA-N 368.178 2.987 0 1 FFAF Cc1cnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 587025767 QIVQJSXZEUKVSM-UHFFFAOYSA-N 365.422 2.751 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Cl)nc3[nH]2)cc1 586924833 BEAWIEYLFFXABF-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF N[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248570 UGEUIRLXTMCQFS-NSHDSACASA-N 366.137 2.798 0 1 FFAF CCN1N=C(C(=O)O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587393159 CMQYICNBGXOKJX-HXUWFJFHSA-N 365.389 2.718 0 1 FFAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)Cc2ccc(F)cc2C(=O)O1 587173968 LCNQWMWUGNBUED-LJQANCHMSA-N 367.336 2.661 0 1 FFAF Cc1cc(C)c(Oc2ccnc(NCCn3ccc(O)nc3=O)n2)c(C)c1 1772629115 SQOUPVXVCNRPJL-UHFFFAOYSA-N 367.409 2.569 0 1 FFAF Cc1cc(O)nc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)cn2)c1 1857613655 CNNXJNHKDNCPSR-UHFFFAOYSA-N 354.332 2.696 0 1 FFAF Cc1[nH]c(=N)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1857616868 ZWXVFHQSORXZDQ-UHFFFAOYSA-N 352.419 2.989 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356349606 JVAJKTKTXSNNJB-LSDHHAIUSA-N 370.453 2.630 0 1 FFAF O=C1c2cc(I)ccc2-n2c1nc1ccccc1c2=O 6583582 BBGAOZGNPWPXNH-UHFFFAOYSA-N 374.137 2.535 0 1 FFAF CC1(C)c2cc(OCC(N)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801378 METUHGKGBJAKIH-UHFFFAOYSA-N 359.385 2.774 0 1 FFAF OCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289066 BGHDMTQKOHCXGS-UHFFFAOYSA-N 360.215 2.935 0 1 FFAF COc1cccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1C 116828271 YLJWAAAZHFEDGV-IRXDYDNUSA-N 366.465 2.619 0 1 FFAF CN(C)c1cccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)c1 64559147 DJAICIVAVSHFRM-UHFFFAOYSA-N 358.352 2.637 0 1 FFAF CS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1 39030624 NGDMFVZTINMCKR-UHFFFAOYSA-N 360.366 2.780 0 1 FFAF O=C1NC(=O)[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 82158214 CJTNODSVBHYQAY-QVKFZJNVSA-N 359.385 2.879 0 1 FFAF COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@@H]3C[C@@]21CCN3C 195497178 GRTJJLDQBHAIRY-VFVAKGGASA-N 352.228 2.524 0 1 FFAF O=C(Nc1ccccc1Cl)c1cnc2ccc(C3(O)CCNCC3)cn12 48998307 NFPDLYRGXRIUTG-UHFFFAOYSA-N 370.840 2.811 0 1 FFAF O=C(N1CCOCC1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199407660 PPSWNXPBHZRFKG-MJGOQNOKSA-N 361.461 2.564 0 3 FFAF Cc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1Cc1ccccn1 653667438 SBEQNCDFBFUOAF-UHFFFAOYSA-N 360.373 2.713 0 1 FFAF Cc1cnc(Cl)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c12 586934911 ASIVPXMOPYBFGW-UHFFFAOYSA-N 353.835 2.602 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)O2 587408926 JORDZCZPIXJIPF-LJQANCHMSA-N 374.462 2.722 0 1 FFAF Oc1nc(O)c2cc(Cc3cc(F)ccc3Br)cnc2n1 587368301 MXDNWJUWXJIJFR-UHFFFAOYSA-N 350.147 2.928 0 1 FFAF COC[C@@H](C)NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869143 CPMONPAGMXYSEL-SECBINFHSA-N 374.388 2.730 0 1 FFAF COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cn1 587117373 GGUABPAKIRTVNS-UHFFFAOYSA-N 365.315 2.886 0 1 FFAF C[C@]1(c2cccnc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962701504 RDMOLYQTHXMNCM-XJKSGUPXSA-N 370.302 2.808 0 1 FFAF CCCCCCn1cc(O)c(=O)cc1COC(=O)[C@@H](N)Cc1ccccc1 205415145 YYFGOTXRWISRGI-SFHVURJKSA-N 372.465 2.747 0 1 FFAF COc1ccccc1NC(=O)[C@@H](Cc1ccc(Cl)cc1)c1nn[nH]n1 5671226 AKICDQBJUYUDMG-ZDUSSCGKSA-N 357.801 2.827 0 3 FFAF O=C(NC[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1ccco1 12022916 XXTYCNGUYZGMPL-KRWDZBQOSA-N 355.438 2.674 0 1 FFAF Cc1nc(C)n(CC(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)n1 12438762 DAZVUHQUJWQWCZ-HNNXBMFYSA-N 374.872 2.978 0 3 FFAF CN1[C@@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660574 OVICWRANQXMJNG-FSPWUOQZSA-N 366.490 2.832 0 1 FFAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(C(=O)O)ccc21 169722182 FUUZLFFKNWEXKB-OAHLLOKOSA-N 372.308 2.745 0 1 FFAF O=C(NCc1ccncn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166005839 NVDZWQCUVKQCHH-UHFFFAOYSA-N 373.416 2.954 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N(C)[C@@H]3CCc4ccccc43)c2C)n1 1857533880 JLMVCSCQOLCBQN-QGZVFWFLSA-N 363.421 2.744 0 1 FFAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccccc1N 771732 OLVVKRPUUKBGLU-HXUWFJFHSA-N 353.422 2.725 0 1 FFAF O=C(NCCN1CCN([C@@H]2CCc3ccccc32)CC1)c1ccc(F)cc1 28017442 PDTGMZDKCPJWGA-OAQYLSRUSA-N 367.468 2.861 0 1 FFAF CCC(CC)C(=O)NC[C@@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 2356435314 BOMFPNNBNHXCPZ-ULQDDVLXSA-N 366.502 2.976 0 1 FFAF C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21 2356443702 VWNYOBZHWDCYFB-FGZHOGPDSA-N 357.542 2.572 0 1 FFAF CO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@H]23)[C@@H]1O 2356596577 KVGCXSKAIUCSKN-AMTBQWDPSA-N 350.370 2.624 0 1 FFAF CO[C@]12C=C[C@@]3(C[C@@H]1C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5 27563741 ONXSGOKPRNFAJS-GEAUKGQYSA-N 353.462 2.926 0 1 FFAF CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40828001 UAMIOXFYSOXLHT-PBHICJAKSA-N 358.442 2.880 0 1 FFAF CNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 84653088 OXXGTCLYVHRUEJ-MRXNPFEDSA-N 357.797 2.831 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1OC 95894328 GOJDWWBWMYPEBC-DXIQSLLYSA-N 366.461 2.781 0 1 FFAF C/C=C/[C@]12CCN3[C@H](C1)c1[nH]c4ccccc4c1C[C@@H]3[C@]2(CO)C(=O)OC 238787550 QKDZPXLVEASJMP-SVWWLJBISA-N 366.461 2.957 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)cc(OC)c3C(=O)N1CC2 49032855 UALWDWYWZUWYRH-HNNXBMFYSA-N 355.390 2.714 0 1 FFAF biogenic CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@H](O)[C@@H]2[C@H]4[C@@H]3[C@@H]12 299815480 LDDJTYOWMIGSGF-XFVWJZNVSA-N 356.554 2.976 0 1 FFAF COc1cc2c3c(c1)OC1(CN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587437493 IZLKBCYARAJFBS-INIZCTEOSA-N 365.385 2.834 0 1 FFAF COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1C=O 587398555 FJKMSXXFJSAZFS-MRXNPFEDSA-N 357.362 2.819 0 1 FFAF O=C1c2ccccc2S(=O)(=O)N1Cc1cc2c3c(cccc3n1)CC2 587216914 QNFAPCOCSZFJIS-UHFFFAOYSA-N 350.399 2.678 0 1 FFAF N=c1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c[nH]1 587144593 OKRJMPXASWCFSH-SNVBAGLBSA-N 350.195 2.515 0 1 FFAF COC(=O)[C@H](C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O 587394623 JDYANHGOOBUDOY-HNAYVOBHSA-N 369.377 2.531 0 1 FFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 586951154 JEMYNEQIWNVXIR-UHFFFAOYSA-N 357.848 2.723 0 1 FFAF O=C1CO[C@@H](c2ccc(-c3cc4c(cc3Cl)NC[C@H]4C(=O)O)cc2)CN1 1772609072 KAEKKSWHKAOWOV-RHSMWYFYSA-N 372.808 2.788 0 1 FFAF COCCCNC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 11815367 BDVJQLAYWJZJDB-UHFFFAOYSA-N 364.486 2.713 0 3 FFAF Cc1cc(-c2cnnc(N3CCC[C@H](C(=O)c4nccn4C)C3)n2)c(C)o1 11933416 XQMOSSPSBVHDSH-AWEZNQCLSA-N 366.425 2.581 0 1 FFAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)C/C=C\[C@@H](O)[C@@H](O)CC/C=C\2 169727608 RARIQBVDTKXPRY-BDMYRXHASA-N 362.422 2.724 0 1 FFAF O=C(NCc1cccnc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168174746 QGBLGIHDTDBPDP-UHFFFAOYSA-N 374.444 2.565 0 1 FFAF Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(F)cc3)ccc12 6685586 LJNVGBXFHXMEPG-UFFVCSGVSA-N 354.337 2.770 0 1 FFAF C[C@@]12C(=O)N(Cc3ccccc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2087781 DODBZYAHPXNOSL-JOCHJYFZSA-N 359.429 2.810 0 1 FFAF biogenic O=C1OC[C@@H]2Cc3cc4c(cc3[C@H](c3cccc5c3OCO5)[C@H]12)OCO4 2356348062 XRRZUOAMRCUMAH-PDSMFRHLSA-N 352.342 2.621 0 1 FFAF COC(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCCC1CCCCC1 27564572 IWBLXNPEXYZWHA-MRXNPFEDSA-N 353.459 2.834 0 1 FFAF O=C([C@H](O)c1cccc(Cl)c1)N1CCN(c2ccc3[nH]ncc3c2)CC1 28891530 MRGGOQVTDADSFB-GOSISDBHSA-N 370.840 2.599 0 1 FFAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(O)CC2)c(F)c1 29128797 UMKYTNIQPXEQBT-UHFFFAOYSA-N 361.344 2.560 0 1 FFAF O=C1N(Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc2c(c1)OCO2 29403686 JGFZRSBSYGIRSR-UHFFFAOYSA-N 354.318 2.702 0 1 FFAF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC[C@@]14C[C@@H](CC[C@@]13C)[C@@](O)(CO)C4)OC2=O 2356725108 JAKLTKSIKSMOEM-NWXZKOORSA-N 364.482 2.632 0 1 FFAF CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1CN1CCOCC1)[C@H]34 2356864433 VURRTCNKMDHILB-IBGZPJMESA-N 356.466 2.887 0 1 FFAF CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(NCC(=O)O)c1 63882358 QNUIMJRCFVOTTC-SFHVURJKSA-N 355.438 2.558 0 1 FFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCCCC3)ccc21 72102422 NITGGRNPRCMGHU-QGZVFWFLSA-N 372.490 2.959 0 3 FFAF COc1cccc(CC(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 74377707 JPRWLOJJVFFCOR-OALUTQOASA-N 350.418 2.808 0 3 FFAF CC(C)CNc1ncnn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 1911586627 XDXXUGOLEDATRK-UHFFFAOYSA-N 350.426 2.751 0 1 FFAF COc1cc([C@@H]2COc3c(ccc(O)c3OC)C2)c(OC)c(O)c1OC 14437373 WLBRDEZXTKMHFM-NSHDSACASA-N 362.378 2.851 0 1 FFAF biogenic CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(N)=O)co2)cc1 82070609 KSZQMASBTBEPDX-CYBMUJFWSA-N 359.426 2.904 0 1 FFAF O=C(c1ccc[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168905 QVWYGDNGYXPHSR-UHFFFAOYSA-N 355.438 2.987 0 1 FFAF CC(C)CC[C@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 38252618 CCBMUUXDFOSMHA-HXUWFJFHSA-N 374.389 2.732 0 1 FFAF biogenic COc1cc2c3c(c1)O[C@]1(CCN(C[C@H]4CCCO4)C[C@H]1C)[C@@H](C2)C3=O 587437617 KLOZAGCTECZCKQ-RAWFVAKBSA-N 357.450 2.702 0 1 FFAF CN(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587574788 YSUODAXVKMTNSP-LPHOPBHVSA-N 363.373 2.951 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(Cl)cccc41)[C@@H](C2)C3=O 587422334 PEQVUDDFCFXMOE-BUXKBTBVSA-N 355.777 2.968 0 1 FFAF Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O 587946756 XASRUNJPKJIADI-UHFFFAOYSA-N 360.370 2.667 0 1 FFAF Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1COc1ccccc1Cl 587062878 BYFWCQIQKCDSSJ-UHFFFAOYSA-N 373.756 2.960 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cn(C)nc1-c1cnn(C)c1 963052949 FMGVNKHNSKAGMG-OAQYLSRUSA-N 374.448 2.613 0 1 FFAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962970246 FYTZDQZYTMYRPE-DKRRZFASSA-N 373.783 2.776 0 1 FFAF Cc1cc(C(=O)N(C)C)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 1772607612 YAVZAMCCDJRPBX-CQSZACIVSA-N 369.469 2.568 0 1 FFAF CC(C)C(=O)NCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 5842821 AFXFQHVLVZKQOP-ZDUSSCGKSA-N 373.494 2.567 0 1 FFAF O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1ccsc1 13492640 RYKBULWZKXCAQT-UHFFFAOYSA-N 374.809 2.517 0 1 FFAF Cc1cccc(CCNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1 206490848 VZAULZWTPRYFCF-UHFFFAOYSA-N 352.482 2.977 0 3 FFAF COc1cc2c(cc1OC)[C@H]([C@H](O)C=Cc1ccc(O)cc1)[C@H](O)CC2 2356432714 KAYRJPGARKNUEX-DBXWQHBBSA-N 356.418 2.874 0 1 FFAF CCN(CC)CCCN1C(=O)C[C@@]2(CCCc3cc(OC)ccc32)C1=O 3631753 UATZYPFWKJRHMC-OAQYLSRUSA-N 358.482 2.760 0 1 FFAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCc2cccc(OC)c2)C1=O 3907334 JNRDKKHPGYSIDW-GOSISDBHSA-N 368.433 2.824 0 3 FFAF COc1ccc(C[C@@H]2COC[C@H]2[C@@H](O)c2ccc(OC)c(O)c2)cc1O 2356382436 AOMUBLFRVWEUNV-SXGZJXTBSA-N 360.406 2.654 0 1 FFAF COc1cccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)c1 28477984 AZYCJNOQGOMGNU-UHFFFAOYSA-N 374.418 2.537 0 1 FFAF O=C1O[C@@H](COc2cccnn2)CN1c1ccc(C2=CCOCC2)c(F)c1 27409490 QRRWRYBQQWWJOQ-OAHLLOKOSA-N 371.368 2.824 0 1 FFAF CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)O[C@H]2C2=C(C)CC[C@@H](OC(C)=O)[C@]21C 2356565640 GEJWFAFQALIJIQ-FHFGGYNASA-N 350.411 2.548 0 1 FFAF CCOC(=O)c1cc(Cn2ccc(OCc3ccccc3)cc2=O)on1 29047512 UNJSZXKNDISPCI-UHFFFAOYSA-N 354.362 2.640 0 1 FFAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 39219484 JXSCKPQRVQGVHV-UHFFFAOYSA-N 366.440 2.812 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1[C@H](CO)c3ccc4c(c3CN1CC2)OCO4 33652461 QDPATENPRXQNAO-OXQOHEQNSA-N 369.417 2.621 0 1 FFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 36270853 GPTFOAJWBIXTMY-YIYPIFLZSA-N 371.218 2.688 0 1 FFAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141871 BKMHTNFIQXIDKD-GDBMZVCRSA-N 370.453 2.882 0 1 FFAF O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1 98085178 OOFZTDDZWQTLSH-UHFFFAOYSA-N 372.856 2.711 0 1 FFAF COc1cc(-c2c(OC)oc3c(O)c(OC)c(OC)cc3c2=O)ccc1O 238784289 VNWFWHLKPHKWBU-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CC[C@H](OC(=O)[C@H]1CC[C@H](CN)CC1)OC(=O)[C@H]1CC[C@](C)(CN)CC1 299846601 VNBBYTULXILRAM-FLXNRXMOSA-N 368.518 2.729 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803467 AWBDRAPGNWZTMH-OCDRQSPJSA-N 372.234 2.716 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069262 GYECJUFLVKDJCW-GFCCVEGCSA-N 363.870 2.905 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 586950572 JENLIVJHTPFAQL-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)nc1)CC2=O 587488182 PHWGLBTUTOETIH-MRXNPFEDSA-N 361.419 2.850 0 1 FFAF CCn1nc(C)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(=O)OC)c1C 587637679 FVKLFAOPYKPLKN-UHFFFAOYSA-N 369.377 2.722 0 1 FFAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(Sc4nc[nH]n4)o3)c3cccc1c32 963026122 NIHVJBLLXYHCDQ-BTDLBPIBSA-N 367.434 2.692 0 1 FFAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1c[nH]c(C(=O)N(C)C)c1 963067738 AFLDJMIONWDQEK-QFIPXVFZSA-N 360.461 2.858 0 1 FFAF CC(=O)CC(=O)NCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1772646829 HUGLDRAQSWTPDW-UHFFFAOYSA-N 353.466 2.823 0 1 FFAF O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1 12354980 RBPFQBARVLHLER-UHFFFAOYSA-N 354.454 2.943 0 1 FFAF in-vitro CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cn3)c12 169697390 UWZPNRLZVGCYPU-UHFFFAOYSA-N 354.805 2.590 0 1 FFAF CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C 207736265 SWSQBWNJWICAPP-SFHVURJKSA-N 373.497 2.981 0 1 FFAF Cc1ccc2c(c1)C(=O)N([C@H](CC(=O)O)c1ccc3c(c1)OCCO3)C2=O 1857628941 MBVVQCLONDSWSE-OAHLLOKOSA-N 367.357 2.578 0 1 FFAF COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C)cn3)CC2)cc1 363263882 DBDWRJAVJIRQIT-UHFFFAOYSA-N 361.467 2.664 0 1 FFAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@H](COC)C(C(=O)O)=C3C1 2356369974 WNXJTFWLHDLHTP-XGHDSRBHSA-N 373.497 2.830 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@H]1CC[C@H](C2)N1 101471617 ZYXCONLULJQDHW-MLGOLLRUSA-N 353.447 2.755 0 1 FFAF CCCCO[C@@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O 28530848 GYPDRBBZPZEGBL-MAUKXSAKSA-N 361.467 2.828 0 1 FFAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@@H]1C(C)(C)C[C@@H]2NC(C)C 2356855178 RAGXZSGHNVCTKK-SEONNTABSA-N 368.562 2.863 0 1 FFAF Oc1ccc(C2=C(c3ccc4c(c3)OCO4)[C@H](O)[C@H]3CCCN3C2)cc1 14654229 NOTLGAMDIPCZJL-DYESRHJHSA-N 351.402 2.871 0 1 FFAF biogenic COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc4occc4c3O[C@@H]1CO2 14450003 KHAJUSVOOGYFIJ-XLIONFOSSA-N 368.341 2.674 0 1 FFAF biogenic CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@@]2(C)[C@H](NCCN)CC[C@H]32)C1 299872387 FFSMUXROXURAGP-QHQNETNZSA-N 364.574 2.932 0 1 FFAF aggregator CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@H](O)[C@H]2[C@H]4[C@@H]3[C@H]21 299815479 LDDJTYOWMIGSGF-MEQDJKGASA-N 356.554 2.976 0 1 FFAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(=N)N)cc2[nH]1 586973919 SELUHPOWWZGPKZ-QGZVFWFLSA-N 367.478 2.958 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586927583 VOHUMXOZWAXSNN-UHFFFAOYSA-N 352.318 2.955 0 1 FFAF CC(=O)Nc1ccc(O)c(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)c1 587638605 SSTUWMJHHYVMIN-UHFFFAOYSA-N 368.345 2.824 0 1 FFAF O=C(O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587368908 RIASIFBCUUYNEV-SFHVURJKSA-N 371.780 2.601 0 1 FFAF N[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]1c1ccccc1F 587154825 SETYIIUZQHSNQR-IERDGZPVSA-N 366.440 2.876 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCN(C)CC1)[C@@H](C2)C3=O 587445024 TZRKBISCDOGDAV-HTAPYJJXSA-N 364.445 2.936 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc[nH]c(=N)c41)[C@@H](C2)C3=O 587434689 YMQSLEZDOMMQQA-YUNKPMOVSA-N 351.406 2.513 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(OCC(N)=O)cc1 963258567 OLKXDQJNOIGJCO-LJQANCHMSA-N 360.841 2.622 0 1 FFAF COCCOc1ccccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963014760 AHDDETRPUWBSJQ-LHSJRXKWSA-N 352.434 2.855 0 1 FFAF Cn1nnc(-c2ccnc(-c3cn(Cc4ccccc4Cl)cn3)c2)n1 225945442 LULNZVARULNQAH-UHFFFAOYSA-N 351.801 2.837 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O 13534683 INVXSBCIDABVMG-INIZCTEOSA-N 351.399 2.880 0 1 FFAF COc1ccc(NC(=O)[C@H]2c3ccccc3OCC(=O)N2C2CC2)cc1 169304465 VLXLNWUCYSHCSF-LJQANCHMSA-N 352.390 2.758 0 3 FFAF NC[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 169312424 JQBDYKZHPXTXJN-KBPBESRZSA-N 363.383 2.632 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 169714747 MUMURSDPJHXUQI-RDJZCZTQSA-N 361.394 2.585 0 1 FFAF COc1cccc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)c1OC 767454 HADUWEGBGRYLDY-OAQYLSRUSA-N 368.433 2.803 0 1 FFAF O=C1Nc2ccccc2[C@](O)(C(=O)NCc2ccco2)N1c1ccccc1 3066046 PNZGRMCSWXYGRE-FQEVSTJZSA-N 363.373 2.793 0 3 FFAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccccc2)COC1 2356338310 SYWZXQYAFNCYGS-MRXNPFEDSA-N 351.406 2.684 0 1 FFAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2=O 6484714 YMHBIMMCQPKHPJ-OALUTQOASA-N 360.362 2.749 0 1 FFAF Cc1nn([C@H](C)C(=O)NC[C@@H]2CCCO2)c(=O)c2c1sc1ccccc12 6799121 VYEJWWWSHYWHOZ-OLZOCXBDSA-N 371.462 2.776 0 3 FFAF CC1=CC2=c3cccc(C)c3=N[C@H](c3cn(-c4ccccc4)nc3C)N2N1 104005883 SVKRYJPWDSSIEY-QFIPXVFZSA-N 355.445 2.653 0 3 FFAF O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 66258397 AWLJZFUREZNLGG-ZRZRPREKSA-N 370.357 2.538 0 1 FFAF COc1cc(OC)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@@H]1C2=O 2356570431 IDMPXVKBMCVCBV-WOJBJXKFSA-N 372.373 2.936 0 1 FFAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 2356583605 AESIFKLOXJZGEK-UXHICEINSA-N 365.477 2.597 0 1 FFAF COc1ccnc(-c2nc(O)c(O)c(C(=O)N[C@H](C)C3CCCCC3)n2)c1 1911572572 NVHGMWWFUVHRFA-LLVKDONJSA-N 372.425 2.657 0 1 FFAF Cc1ccc(-c2nc(C(=O)NCC(=O)OCCc3ccccn3)co2)cc1 82072279 ROGKBNRZFDUQQN-UHFFFAOYSA-N 365.389 2.561 0 1 FFAF CN(CCCN1C(=O)[C@H]2Cc3ccccc3C[C@H]2C1=O)Cc1ccccc1 49066411 HOOWQEMJDMUKSY-OYRHEFFESA-N 362.473 2.909 0 1 FFAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@H](CO)OC(C)=O 238782556 VURLZBDQVPJJTL-XTCGUCTBSA-N 354.450 2.957 0 1 FFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 95794644 PCICMNIAJCHUED-WOJBJXKFSA-N 372.415 2.526 0 1 FFAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)C)n1 96272377 YYBIDABQEDHOBB-LBPRGKRZSA-N 374.470 2.514 0 1 FFAF O[C@H](c1ccc(Br)cc1)c1nc2c(S)nc(S)nc2[nH]1 586995755 NWYNLTAFNVASPR-MRVPVSSYSA-N 369.269 2.775 0 1 FFAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 587195278 FWOCKFDNCICTAQ-UHFFFAOYSA-N 370.413 2.818 0 1 FFAF COC[C@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757867 HXODUPNWKHHENH-HWPZZCPQSA-N 368.250 2.746 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1 586897172 ZXBNJJWJTJWSEC-BETUJISGSA-N 351.472 2.660 0 1 FFAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(OC)cc1C 963553083 RJWSRNSYXZINLV-IFXJQAMLSA-N 357.406 2.715 0 1 FFAF Cc1cc2c(cc1O)[C@@](C1=COCCC1)(C(F)(F)F)N[C@H](C(=O)O)C2 963526987 PJEBAVITZMDXIL-BBRMVZONSA-N 357.328 2.751 0 1 FFAF CCOC(=O)[C@@H]1[C@H]2C[C@]3(C[C@H]21)c1c(Cl)ccc2c1CCN3[C@@H]2C(=O)O 962578330 XZFNCIRZEDRTLE-QXLIUHHTSA-N 361.825 2.752 0 1 FFAF COc1cc(C(=O)N[C@H](CCO)c2ccccc2)ccc1-c1cn[nH]c1 1772617542 FKYWIAWIDUIWFG-GOSISDBHSA-N 351.406 2.939 0 1 FFAF C[C@](O)(c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1)C(F)(F)F 1772604621 MCQFMPCNUFRGJM-INIZCTEOSA-N 366.343 2.745 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 169714749 MUMURSDPJHXUQI-DOTOQJQBSA-N 361.394 2.585 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO 4206720 NUEARICFEPWQBE-FUHWJXTLSA-N 374.824 2.549 0 1 FFAF O[C@H]1OCC(=Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 2356412504 RQGZJVFHVYJECB-YWZLYKJASA-N 354.358 2.735 0 1 FFAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccccc1Br 61902286 LGNHSUWHARFYBR-INIZCTEOSA-N 353.260 2.970 0 3 FFAF COc1ccccc1OC1CCN(c2ccc(-c3nc(C)no3)nn2)CC1 28655431 WVGOIDXXEIYHJQ-UHFFFAOYSA-N 367.409 2.891 0 1 FFAF C(CCCCCCNC1=NCCCN1)CCCCCNC1=NCCCN1 28865654 WBDXVTFGVBWIBQ-UHFFFAOYSA-N 364.582 2.765 0 1 FFAF COc1ccc2[nH]c([S@](=O)Cc3nccc(N(C)C)c3Cl)nc2c1 26144433 BHDTYAWLJKYGDD-DEOSSOPVSA-N 364.858 2.994 0 1 FFAF O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1 29128399 VZADYHFUDBTCFL-UHFFFAOYSA-N 360.435 2.854 0 1 FFAF O[C@](Cc1ccccc1Br)(c1ccccc1)[C@@H]1CNCCO1 36093136 IXXMPCPWTWLRBY-ZWKOTPCHSA-N 362.267 2.868 0 1 FFAF COc1ccc2nc(NC3=NCC[C@@]4(CN5CCC4CC5)O3)sc2c1 210863550 HDIHWUOVEKHKID-SFHVURJKSA-N 358.467 2.958 0 1 FFAF COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(O)c3o2)cc1O 14437308 HRQWEWPCWWGBQR-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2=O 14643699 HYKSEGAIZVBXBH-UXHICEINSA-N 372.373 2.826 0 1 FFAF biogenic CCO[C@H]1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)[C@H]1O 13307072 AMERCRIYENEJRO-RDJZCZTQSA-N 354.399 2.525 0 1 FFAF biogenic CN1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1 40424072 UBZNCKMMWOCMGD-CYBMUJFWSA-N 358.467 2.730 0 1 FFAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC[C@H]1CCCN1C 82070778 PHDRXXVLXZPAJN-UKRRQHHQSA-N 373.478 2.566 0 1 FFAF Cc1ccc(OC[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)cn1 40762502 JQPBGRKMTKYABC-AQNXPRMDSA-N 352.434 2.800 0 1 FFAF COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2[nH]1 84605063 SJUDXUCVYVYIPN-UHFFFAOYSA-N 374.422 2.581 0 1 FFAF O=C(O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 40873600 CLHWESXETNJWNP-UHFFFAOYSA-N 366.308 2.814 0 1 FFAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205702 LPUQUXMJTHQDOT-HZPDHXFCSA-N 370.453 2.647 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@H](CO)COCc2ccccc2)co1 82074271 XEEUKLLDDWTMLT-QGZVFWFLSA-N 366.417 2.958 0 1 FFAF CC(=O)O[C@@H](C/C=C1/C=CC(=O)O1)C[C@@H](O)C[C@H](O)/C=C/c1ccccc1 653739150 IHBBUTBXGKRSDS-FZJBYWQSSA-N 372.417 2.521 0 1 FFAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 586879349 HJHDJARWJIOXMW-UHFFFAOYSA-N 361.361 2.812 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1c(C)nn(C)c1C)O2 587388847 BIKLWHABGZSSOW-WHXUGTBJSA-N 354.454 2.864 0 1 FFAF O[C@H](c1nc2ccc(I)cc2[nH]1)C1CCOCC1 586912643 FHFUWNVNCWUAMQ-LBPRGKRZSA-N 358.179 2.628 0 1 FFAF COC(=O)c1cc2[nH]c(Cc3cccc(NC(C)=O)c3)nc2cc1OC 587242498 NGZUCLHDSCTELK-UHFFFAOYSA-N 353.378 2.907 0 1 FFAF CC(C)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587259564 VRMROVMVOGQTBK-LURJTMIESA-N 350.591 2.872 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)cc1N)[C@@H](C2)C3=O 587433487 REDPBKOIUOJHOI-RBZFPXEDSA-N 355.390 2.957 0 1 FFAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12NCCc1cc3cccc(OC)c3nc12 963051693 FOZDBAKUFOGRRX-DYESRHJHSA-N 366.417 2.640 0 1 FFAF COc1ccc2[nH]c(O)c([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2c1 962905335 DJQFBXGQXDDXSZ-RDJZCZTQSA-N 356.353 2.710 0 1 FFAF CCCNc1ccc2c(c1)[C@]1(NC(=N)N(C)C1=O)C1(CCC(OC)CC1)C2 1772641413 FZIWVXZUQXVQFW-VYHPPPRESA-N 370.497 2.832 0 1 FFAF Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)s1 12019891 BJQJAHMKCPEHID-QGZVFWFLSA-N 368.466 2.635 0 1 FFAF C[C@H]1C[C@@H](C)CC(=O)[C@@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 17188131 BQTZQFAWZXWIHI-VOJYLLLMSA-N 357.450 2.959 0 1 FFAF N=C(NC1=N[C@H]2CCCC[C@H]2C(=O)N1)N1CCC(Cc2ccccc2)CC1 1857578153 ILUDOCZXAFKIAI-MSOLQXFVSA-N 367.497 2.510 0 1 FFAF COCCn1c(=O)n(CC2(c3ccccc3)CC2)c(=O)c2c(C)csc21 1857609935 JBLFEMHMBGVBBW-UHFFFAOYSA-N 370.474 2.911 0 1 FFAF COc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC 1365192 DTCJGZUHCORMNG-UHFFFAOYSA-N 357.410 2.551 0 3 FFAF CC(C)CN1CCN2[C@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C 2356303354 RTRFHSKBORMLTG-LJQANCHMSA-N 358.530 2.633 0 1 FFAF Cc1cc(N2C(=O)c3ccc(C(=O)N4CCCC[C@@H]4C)cc3C2=O)no1 3014982 BWYFQBQAZSUOET-NSHDSACASA-N 353.378 2.798 0 1 FFAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO 4212649 VGJDTVYZPXUESN-MOPGFXCFSA-N 362.470 2.826 0 1 FFAF CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238838 UQSKQAIKDJSWPO-CQSZACIVSA-N 369.400 2.603 0 1 FFAF COc1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100446737 HOFGJNIUBPELBO-MDYRTPRTSA-N 352.390 2.662 0 1 FFAF COc1cc2c(c(O)c1OC)-c1cccc(=O)cc1[C@@H](NC(C)=O)CC2 27769304 SDQKEWQPLFNHLP-INIZCTEOSA-N 355.390 2.560 0 1 FFAF CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1cncc(Br)c1 61908876 VVLCQIXAYPNVHK-MRXNPFEDSA-N 368.275 2.611 0 3 FFAF NC(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)cc1 116989382 WFNMGNBVZLZDHL-UHFFFAOYSA-N 358.401 2.877 0 1 FFAF C[C@H]1C[C@H](O)C=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356432692 JCDDKPVUVBDMHS-WDEREUQCSA-N 368.813 2.899 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CCC(=O)[C@@](C)(O)CCC=C(CC1)C(=O)O2 2356798827 SWVXEUGODIFBMQ-AABGKKOBSA-N 350.455 2.846 0 1 FFAF C[C@H]1CN(c2ncccc2C(=O)N[C@@H]2CCCc3ccccc32)CCN1 39229760 LILMUVFVWQLGNS-HNAYVOBHSA-N 350.466 2.687 0 1 FFAF CC(C)=CCn1cc(C[C@@H]2NC(=O)[C@H](C(C)C)NC2=O)c2ccccc21 13430507 MGOFATRHLJYLQK-HKUYNNGSSA-N 353.466 2.789 0 1 FFAF biogenic Cc1ccc(-c2nc(C(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1 40828693 LRXOAQXBOIZOBP-UHFFFAOYSA-N 363.483 2.704 0 1 FFAF O=C(NC[C@H]1CCCO1)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82194776 JGZGXVURJNJZHT-NVXWUHKLSA-N 373.478 2.780 0 1 FFAF COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@H]32 138703186 IYKNWUYPIXSISZ-BRKWEVRTSA-N 370.493 2.963 0 1 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 95894319 DWIQNYLYYQYBBV-QKNQBKEWSA-N 354.425 2.911 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nn2)N1 587794498 MTYWODSRGGNHOT-ANRSDYALSA-N 352.207 2.882 0 1 FFAF Cc1nc(COc2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cs1 587020437 SGDJEUDBRAFIFC-UHFFFAOYSA-N 355.379 2.775 0 1 FFAF CCOC(=O)C[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435526 GQRMYMMASOCJKZ-FOIQADDNSA-N 353.374 2.686 0 1 FFAF CCN1CC[C@]2(CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765792 DKHNAGHOQFQHHV-MGPLVRAMSA-N 355.251 2.960 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CN(CC(=O)O)C=C2)N1 587777234 ZSVZUEDIZARIPG-JTQLQIEISA-N 367.218 2.745 0 1 FFAF CCOC(=O)C1CCN(C(C)(C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587396809 WHZOSSCUQCVYPT-SFHVURJKSA-N 374.481 2.965 0 1 FFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 586949066 PKQZEJKQFBROST-UHFFFAOYSA-N 373.434 2.687 0 1 FFAF Cc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 587026111 UTXOLERUNMRLEB-UHFFFAOYSA-N 365.422 2.751 0 1 FFAF C[C@H](Cn1cc(Cl)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651051 AKUMUZDCKZQHRS-SECBINFHSA-N 351.193 2.876 0 1 FFAF Cc1ncc(-c2nc3c(O)nc(S)nc3[nH]2)c(C)c1Br 586978968 DLQOZXYNHAZERV-UHFFFAOYSA-N 352.217 2.789 0 1 FFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587174240 HTSUUULURNMCHH-GFCCVEGCSA-N 365.368 2.757 0 1 FFAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1csc2ccccc12 587563857 LRXVGJPIBILKLS-UHFFFAOYSA-N 353.359 2.945 0 1 FFAF CC(=O)N[C@H](CCCCNCc1ccccc1)C(=O)NCc1ccccc1 5663238 DYIBVFCKZKUGRF-OAQYLSRUSA-N 367.493 2.768 0 1 FFAF Cn1cc(C2=C(c3cn(C)c4ccc(N)cc34)C(=O)NC2=O)c2ccccc21 13447738 LSAVPOITAZCHEO-UHFFFAOYSA-N 370.412 2.819 0 1 FFAF COc1ccc2c(c1OC)CN(C)[C@H]1c3cc4c(cc3C[C@@H](O)[C@H]21)OCO4 14922997 MADYLZJCRKUBIK-XPGWFJOJSA-N 369.417 2.620 0 1 FFAF biogenic,in-vitro COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150146052 KUPGJRNWKJMFBK-KRWDZBQOSA-N 358.438 2.819 0 1 FFAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2ccc(F)cc2)[nH]1 1857552014 NJTVKJBUDLVYSY-KRWDZBQOSA-N 366.440 2.807 0 1 FFAF COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 1379354 TVZOVUKONITDRM-SFHVURJKSA-N 359.470 2.818 0 3 FFAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356288589 HPTSPMBHFDPYPC-MKXGPGLRSA-N 363.546 2.844 0 1 FFAF CC(=O)Nc1ccc(OC(=O)NC[C@H](O)COc2cc(C)cc(C)c2)cc1 27313743 NVHOBZGIZXOVNZ-KRWDZBQOSA-N 372.421 2.790 0 1 FFAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccccn3)n2)c(=O)c1=O)C(C)(C)C 101595737 MNIFVAIKMJGHIG-LLVKDONJSA-N 366.425 2.801 0 1 FFAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2O)cc1OC 14437080 WSWGLZBEEOPFJF-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49113634 XUBIZXMAXULPOW-UHFFFAOYSA-N 362.842 2.775 0 1 FFAF C[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 238754966 ASJHAZDQDXYITE-QKDHTCAHSA-N 352.471 2.533 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@](C)(O)c4ccccc43)c(F)c2)cn1 95596393 SZRALRWWDXSXJF-HXUWFJFHSA-N 351.381 2.981 0 1 FFAF O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(C(F)(F)F)cc4Cl)C(=O)[C@H]13)O2 95495823 QLXZJAHCWHTALL-OXIQGZBJSA-N 373.714 2.730 0 1 FFAF Cc1[nH]nc2ccc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)cc12 653681800 HWKHCDBYWDSYOT-UHFFFAOYSA-N 357.377 2.519 0 1 FFAF CN1CCN(c2ccc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c3c2)CC1 587119180 ZZVTUNCTTJSUBF-UHFFFAOYSA-N 364.375 2.734 0 1 FFAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2[nH]cnc12 587659972 ANLCUTNIAZFIDN-UHFFFAOYSA-N 358.336 2.858 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C[C@@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587432716 LDLCHXSOTZXFTG-ZSDSOXJFSA-N 367.401 2.759 0 1 FFAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cnncc3[nH]2)c1 587154487 QFMYLVFTCAEWDO-UHFFFAOYSA-N 369.381 2.960 0 1 FFAF COc1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)c(I)c1 587179540 BFBGUHUHZKQCBX-UHFFFAOYSA-N 366.162 2.651 0 1 FFAF NCc1cccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587246592 SQOCWDAENDAVQO-UHFFFAOYSA-N 355.341 2.982 0 1 FFAF CC(C)(C)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 586957606 CMXDZTIJWSIVOH-GOSISDBHSA-N 374.466 2.724 0 1 FFAF O=C1CSC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)N1 587042225 BCYXURWDYNDUER-ZETCQYMHSA-N 352.288 2.516 0 1 FFAF NS(=O)(=O)c1cc([C@H]2NCCc3cc(Cl)ccc32)ccc1Cl 963390046 FJZBLYKASAYFCG-OAHLLOKOSA-N 357.262 2.876 0 1 FFAF O=C1CN(C2CCCCC2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 13763648 XSFFLANEUWQFRE-UHFFFAOYSA-N 356.831 2.626 0 1 FFAF CC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 14620277 GQTPVPFEACGBJK-ACRUOGEOSA-N 350.418 2.748 0 1 FFAF biogenic COc1ccc(NC(=O)[C@@H]2c3ccccc3OCC(=O)N2C2CC2)cc1 169304464 VLXLNWUCYSHCSF-IBGZPJMESA-N 352.390 2.758 0 3 FFAF Cc1ccccc1OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 15205528 JWYYKEBXIBRVLA-ZHCJQAHYSA-N 350.411 2.770 0 1 FFAF CN1[C@H](C[C@H](O)c2ccccc2)C[C@H](O)C[C@@H]1C[C@H](O)c1cccc(O)c1 2356329570 HNYUZVZJPPFNLG-ITEKTMBMSA-N 371.477 2.763 0 1 FFAF CCOC(=O)Cc1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O 2500183 WOCLSJBGWVHDBZ-UHFFFAOYSA-N 358.442 2.583 0 1 FFAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@H]3F)[nH]c2c1 2356299312 FQBPCOQYXDDFLM-RHSMWYFYSA-N 362.355 2.975 0 1 FFAF CN1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 66259600 SFBGOEWONWATMZ-UHFFFAOYSA-N 355.463 2.630 0 1 FFAF NC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12 118240181 AZAHXWKHBNORBH-CYBMUJFWSA-N 358.352 2.840 0 1 FFAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@@H]1O 27323687 KEMICGMUYDFMDW-BBWFWOEESA-N 360.458 2.597 0 1 FFAF CCN(CC)CCCCN1C(=O)C[C@]2(CCCc3cc(O)ccc32)C1=O 27617641 ICFVIORGSMWJHS-NRFANRHFSA-N 358.482 2.847 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@]14COC(=O)C1=CC[C@@H](O3)[C@H]42 2356530200 HQXPEPNOBAUHLR-IPWGKGBGSA-N 356.374 2.695 0 1 FFAF CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)[C@@H](C)c3ccccc32)cc1 33823671 RQORVHNEKKGADI-XOBRGWDASA-N 351.450 2.947 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CCC[C@@]23O 15162362 FQBCRRIWNZDHQS-XWPNQZOQSA-N 356.374 2.599 0 1 FFAF biogenic CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40981075 LBGSSOGVCFPGLZ-OMLDUKLJSA-N 356.777 2.740 0 1 FFAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](N)C[C@@H]4C)ncn3)c2c1 225541917 ZNNNSSJVWSEXGC-QWHCGFSZSA-N 352.442 2.733 0 1 FFAF Cc1cccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1 473133146 YGPXONCWMOMWQJ-UHFFFAOYSA-N 350.422 2.892 0 1 FFAF COC(=O)c1cc2[nH]c(CC(=O)OCc3ccccc3)nc2cc1OC 587781727 MYODMRFLKVLWLU-UHFFFAOYSA-N 354.362 2.644 0 1 FFAF CC1(C)CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347264 OVDUDZZUYOTIGK-OXQOHEQNSA-N 355.365 2.785 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1C(=O)O)[C@@H](C2)C3=O 587441850 HXUXCTQLPBSUPI-SGTLLEGYSA-N 370.357 2.899 0 1 FFAF Brc1cnc2c(-c3nc4cc5cn[nH]c5cc4[nH]3)cnn2c1 587009027 SFSVOYAQPXLGAH-UHFFFAOYSA-N 354.171 2.911 0 1 FFAF Fc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)nc1Br 587155407 LEFYUMRFLKEOEN-UHFFFAOYSA-N 358.221 2.894 0 1 FFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 586882309 NCTGWCJCYFSXOJ-UHFFFAOYSA-N 358.448 2.859 0 1 FFAF C(CNCC1CC1)CNC[C@@H]1CCC[C@@H](CNCCCNCC2CC2)C1 5849397 OAZJCKNKDYTSSK-FGZHOGPDSA-N 364.622 2.751 0 1 FFAF COc1cc2nc3c(c(N)c2cc1OC)C[C@H](CNC(=O)c1ccco1)C3 13528631 XFNOYNVDQOQPCY-NSHDSACASA-N 367.405 2.572 0 1 FFAF COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 13761373 OWLNCBVMDZBDPC-UHFFFAOYSA-N 372.450 2.814 0 1 FFAF O=C(O)c1cncnc1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832784 CFKWMUYSMBUCLR-UHFFFAOYSA-N 373.376 2.634 0 1 FFAF COCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)OC)[C@@H]1C 169334621 RSVJFSYTDHCFMC-LEWSCRJBSA-N 374.359 2.596 0 1 FFAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1F 169343129 VFTBZCWBXZKYDW-UHFFFAOYSA-N 366.440 2.812 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1F 1857592792 LZPXDZRREIUKCW-UHFFFAOYSA-N 357.385 2.994 0 1 FFAF Cc1c(C(=O)N2CCN(CCOc3cccnc3)CC2)[nH]c2ccccc12 205941757 VZAPTAUVWQWZDW-UHFFFAOYSA-N 364.449 2.708 0 1 FFAF COC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC)cc1 103230060 RISIBQIPDKKGRB-UXBLZVDNSA-N 351.358 2.611 0 1 FFAF Nc1cccc([C@@H](O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)c1 1911571332 JBXSUIUQLMJZMJ-IBGZPJMESA-N 354.431 2.665 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100797246 ZYHSHBUXMTUHNX-FTEYMNFISA-N 361.482 2.699 0 1 FFAF COc1cccc(CN2CCC[C@@H](NCc3ccc4nonc4c3)C2)c1 20295627 KERMTXHGTLDEDD-QGZVFWFLSA-N 352.438 2.986 0 1 FFAF COc1cc(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)cc(OC)c1OC 61907333 QTWIMMPMWJAMQT-LJQANCHMSA-N 364.442 2.688 0 3 FFAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@H]3[C@@]2(C)CC[C@H]1O)[C@]5(C(=O)O)C4 2356664459 VURGZLDGPWHDST-GAFJBJCJSA-N 362.466 2.854 0 1 FFAF COc1ccc(C[C@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2)cc1O 14760207 PRIGOKTXLDIGNF-GJZGRUSLSA-N 358.390 2.689 0 1 FFAF biogenic O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ncccn3)no2)CC1 73197939 ZORLDIKSOBRMBW-UHFFFAOYSA-N 355.320 2.575 0 1 FFAF COc1ccc(CNc2nc(OC)nc(-c3ccco3)c2NC=O)cc1 49808403 YHZHKWKZMNBNAO-UHFFFAOYSA-N 354.366 2.934 0 1 FFAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 82212271 HFMBPRJXWBMSMY-ZDUSSCGKSA-N 360.433 2.642 0 1 FFAF COc1ccc(N)cc1CS(=O)(=O)/C=C/c1c(OC)cccc1OC 84615737 FYDFPOWWUDNEHR-MDZDMXLPSA-N 363.435 2.880 0 1 FFAF CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(CC4CC4)CC3)cc2)C1 40917470 ZGDPCQCVIIFZLB-LJQANCHMSA-N 357.454 2.599 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(C)c1C 587869181 DIIDVEBHXQJHKE-UHFFFAOYSA-N 365.315 2.703 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 586935840 JAMUOFOOGKRPQV-VIFPVBQESA-N 365.846 2.702 0 1 FFAF CCS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154478 PXFQBEFSTRTKNO-FZKQIMNGSA-N 359.426 2.837 0 1 FFAF CCN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579895 APZLQGYKVSFMPI-YLJYHZDGSA-N 353.374 2.735 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]32)Oc2c1ccc1c2CCCC1 587524716 LMNWZWCOSMGQEE-ZMRAYBQVSA-N 355.434 2.742 0 1 FFAF COC(=O)c1ccnc2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc12 587950372 KRUAQDFABNITKT-CJKMCJCZSA-N 369.421 2.898 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)ncc3[nH]2)cc1 586926372 OPNZINPYEIXADQ-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@H]3C[C@](C)(O)C1CCOCC1 963069557 SJCMLSBVKCZHCE-UWJYYQICSA-N 356.466 2.998 0 1 FFAF CN1CCc2cn(C)nc2[C@]1(CCCC(=O)O)c1cc(F)c(F)c(F)c1 963953968 DYRRJUKJDLOSJD-SFHVURJKSA-N 367.371 2.824 0 1 FFAF C[C@@H](Cc1cnccn1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 12431722 VUGBJKWOYQHYOY-NSHDSACASA-N 374.347 2.683 0 3 FFAF CCOC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 13901540 VUNIQTZWDNPPMT-HNNXBMFYSA-N 353.216 2.728 0 1 FFAF CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc(O)c1 1857646034 JWEDUNAHNFGRPE-QGZVFWFLSA-N 354.431 2.885 0 1 FFAF COc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(Br)cc2)c1 28770510 IEUZVYZSHGFCGA-UHFFFAOYSA-N 364.195 2.898 0 1 FFAF Cc1cccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)c1 4930773 QJGHZMDTUUBKAK-UHFFFAOYSA-N 363.461 2.818 0 1 FFAF CCN(CC)CCn1c(S)nc2ccc(Br)cc2c1=O 20645187 OBZDUSWBTILQGO-UHFFFAOYSA-N 356.289 2.790 0 1 FFAF CC[C@H](C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100808420 MCGFTDIDSXDGDC-BPUTZDHNSA-N 356.470 2.957 0 1 FFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1cccc2c1OCO2 61903079 KTLWWSGIGZOBPM-HXUWFJFHSA-N 368.389 2.747 0 3 FFAF O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccncc3)oc2C1 113252562 BCMBPXDPYNYPQX-UHFFFAOYSA-N 353.353 2.986 0 1 FFAF O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNCC2 27881001 XPCZZNMAAGWSQK-UHFFFAOYSA-N 367.268 2.896 0 1 FFAF CCC[C@@H](C)[C@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962039 MPNDQUDYRDDDQH-CRAIPNDOSA-N 362.470 2.564 0 1 FFAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)[C@H](O)CC3)c(F)c2)c1 28525764 OEDWTWLCDASQHI-QGZVFWFLSA-N 371.364 2.976 0 1 FFAF CCC[C@H](C)[C@@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962034 MPNDQUDYRDDDQH-YJBOKZPZSA-N 362.470 2.564 0 1 FFAF CCCCOC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@H](C)O 2356710276 WWWKWKCNXDSZKV-VMXHOPILSA-N 364.523 2.804 0 1 FFAF COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H](O)[C@@H]2O)c1 72134919 ALNBBVCAIQVVKF-PMPSAXMXSA-N 351.196 2.986 0 1 FFAF COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)cc1 82206259 XILNPLFTGISWRR-MRXNPFEDSA-N 372.469 2.662 0 1 FFAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@@H]1c1cc(F)cc(F)c1F 199085209 WDHNQFQQTBUVHA-AKWBHNSASA-N 354.401 2.717 0 1 FFAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@@H](C)c1ccc(F)cc1 82203798 FOQIGRVAEINJHF-ZFWWWQNUSA-N 357.433 2.799 0 1 FFAF C[C@@H](O)CNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142661961 HCHBMFCXUZYDHL-GFCCVEGCSA-N 371.368 2.565 0 1 FFAF NC1=N[C@]2(CO1)c1cc(-c3cccnc3)ccc1OC1(CCC1)C21COC1 149270133 MJGALTWQDCBMQD-OAQYLSRUSA-N 363.417 2.621 0 1 FFAF CCN(CC)C(=S)NC(=O)c1ccccc1C(=O)OCC(F)(F)F 68576354 ZACHETJJRZXKDC-UHFFFAOYSA-N 362.373 2.762 0 1 FFAF biogenic CC(C)=CCC/C(C)=C/CNC(=O)CN1[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]1(O)[C@H]1[C@H]5[C@@H]4[C@@H]21 299814802 FYWWGPDOGSIHKV-HXLHAGTPSA-N 368.521 2.556 0 1 FFAF CNC(=O)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1 653693910 NMMSMXOCHXLFTJ-UHFFFAOYSA-N 358.419 2.644 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C1CC1)CC2=O 587476673 ACXDHINQKCYJJZ-HXUWFJFHSA-N 360.406 2.981 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NC[C@H]3CCCO3)nc1)O2 587387105 NCTGUXHZBAKEEU-DYVFJYSZSA-N 354.410 2.665 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587773472 IZPNZPRNXTUNHF-UANNBLPKSA-N 368.206 2.721 0 1 FFAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2nncn2n1 587661965 VDCMNGBWAVKBPS-UHFFFAOYSA-N 358.336 2.630 0 1 FFAF Cc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2n1 587259810 MNAUJJJTGCMIDB-HNNXBMFYSA-N 353.426 2.973 0 1 FFAF O=c1oc2ccccc2c(N2CCN(c3ccc(F)cc3)CC2)c1CO 1772611335 QYMLLSWSFQTPNP-UHFFFAOYSA-N 354.381 2.751 0 1 FFAF c1cc2c(ncn3nnc([C@H]4CC[C@H](CNC[C@H]5CCCO5)CC4)c23)[nH]1 1772604002 WBJZUMGTAJJENP-RBSFLKMASA-N 354.458 2.648 0 1 FFAF CC(C)[C@@H](C)Nc1nc2ccc(I)cc2c(=O)[nH]1 13863544 SKAULBOSOAEUDA-MRVPVSSYSA-N 357.195 2.984 0 1 FFAF COc1ccc2c(c1)[C@@H](CCN(C)C)CN2S(=O)(=O)c1ccccc1 13864765 LWEWWHJJZIXSLB-HNNXBMFYSA-N 360.479 2.939 0 1 FFAF COc1cc(CN2CCC(N=O)CC2)cc2[nH]c(=O)c3c(c12)NCCC3 169705876 MKPWMKRPCIQIDG-UHFFFAOYSA-N 356.426 2.626 0 1 FFAF CNC(=O)Nc1cc(Oc2cncc(OC)c2)c(C2=CCOCC2)cn1 1857552875 OJNQROPSWJFXHA-UHFFFAOYSA-N 356.382 2.833 0 1 FFAF CC1CCN(c2ncc3c(=O)n(-c4ccc5c(c4)OCO5)cc-3[nH]2)CC1 1857589707 FYOCINXGYFEPJD-UHFFFAOYSA-N 352.394 2.630 0 1 FFAF CONC(=O)O[C@H](c1ccccc1)c1cccc([C@@H](C)C(=O)NOC)c1 53243949 TXLUVNBOLSPGOX-CXAGYDPISA-N 358.394 2.845 0 1 FFAF CC=C1CN2[C@H](OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356468367 YTVBFWHIYAUPOK-LXGCGDOSSA-N 368.433 2.689 0 1 FFAF CC(C)Oc1cc(N2CCO[C@@H]3C[C@@H]32)nc2c(-c3cc[nH]n3)nccc12 1911570893 UFIHJBPJNYJZNZ-GOEBONIOSA-N 351.410 2.785 0 1 FFAF COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)c1 82224275 SZFBLMAWSCAVDS-MRXNPFEDSA-N 372.469 2.662 0 1 FFAF Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O 49050894 DBNLJUHBHNYWKM-UHFFFAOYSA-N 372.428 2.769 0 1 FFAF C[C@H]1CN(C)C(=O)c2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95663524 CXEKBWSCCPFRDF-BLLLJJGKSA-N 363.458 2.605 0 1 FFAF NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2COC1 96929106 DRVIBCIMXKJHGG-KPZWWZAWSA-N 356.813 2.590 0 1 FFAF COC[C@@H](O)[C@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95913688 HIZZPDXONVQBAA-CCXLZGIPSA-N 362.510 2.969 0 1 FFAF biogenic COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(O)c3C2=O)cc1O 473123935 MPESWUJJECCEJX-LLVKDONJSA-N 360.362 2.558 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587608171 PPJGLNCXXCCQEV-MDZRGWNJSA-N 374.414 2.690 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CC(C(=O)O)C3)cc1)O2 587395166 KSDBQXUBAFLTBW-SFHVURJKSA-N 352.390 2.805 0 1 FFAF Cc1nc(=N)[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577920 UUZNHRVAZRODNU-UZLBHIALSA-N 363.373 2.780 0 1 FFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(N)c(N)cc3[nH]2)cs1 587014821 ZPYWPNXHRACZIT-UHFFFAOYSA-N 360.443 2.876 0 1 FFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 587202678 GJMVLJAXAQOTLZ-UHFFFAOYSA-N 354.370 2.576 0 1 FFAF Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F 587126599 ZUVRFRDMNPAJPA-UHFFFAOYSA-N 357.317 2.541 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 586945305 DBBQDCLHXUZMGV-UHFFFAOYSA-N 357.794 2.973 0 1 FFAF COC(=O)CC[C@@]1(c2ccc(OC)cc2)c2ccsc2CCN1C(N)=O 962703413 CQGBGWFJLVPVTQ-LJQANCHMSA-N 374.462 2.890 0 1 FFAF Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)n1 12438761 DAZVUHQUJWQWCZ-OAHLLOKOSA-N 374.872 2.978 0 3 FFAF O=C(CCc1ccccc1)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 13529226 YUMSKDDWUGOWTE-FQEVSTJZSA-N 369.461 2.574 0 1 FFAF COc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1OC 169726069 GTMBZEOBOHHWJK-HOCLYGCPSA-N 352.415 2.935 0 1 FFAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@@H]1N=CN2CCc1c[nH]c2ccccc12 1857574350 MNUXZVFMAVGUKB-SFTDATJTSA-N 371.444 2.520 0 1 FFAF O=C(Oc1ccccc1)N1CCN(CCn2ccc3cccnc32)CC1 1857747536 SGRGVLGSKPZCOI-UHFFFAOYSA-N 350.422 2.853 0 1 FFAF CC=Cc1ccc2n(c1=O)C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccccc2)C1 2356321744 PUYXDQAGOBUVQC-RDJZCZTQSA-N 370.474 2.689 0 1 FFAF COc1ccc2[nH]c3c(c2c1)CC(=O)N1CCC[C@H](C1)CC31OCCCO1 1654407 JTDFYZSMHGWPAH-AWEZNQCLSA-N 370.449 2.951 0 1 FFAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703239 JYLWNPGIKZBBQI-OAHLLOKOSA-N 351.406 2.606 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2 26262744 GPTFOAJWBIXTMY-REWJHTLYSA-N 371.218 2.688 0 1 FFAF CC(=O)Nc1cccc(C(=O)O)c1-c1c(NC(C)=O)cccc1C(=O)O 26502249 WIWQECWEPCRWOL-UHFFFAOYSA-N 356.334 2.667 0 1 FFAF COc1ccc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)cc1O 2356626707 GRODRRJBLWFRFZ-OAHLLOKOSA-N 368.385 2.971 0 1 FFAF Cn1c(COc2cccc(NC(=O)CCC(=O)O)c2)nc2ccccc21 27324914 QDAAMROHHXQAFA-UHFFFAOYSA-N 353.378 2.956 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 13379877 ZBVQSGGQLPHKKZ-RDJZCZTQSA-N 356.374 2.879 0 1 FFAF biogenic CC(=O)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1 71296892 LIYZSAJFSXEBPA-UHFFFAOYSA-N 372.816 2.832 0 1 FFAF COc1cc2nc(N3CCOCC3)nc(NCCC(C)C)c2cc1OC 82130970 IYTASCDFMMVDTP-UHFFFAOYSA-N 360.458 2.942 0 1 FFAF C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccsc3)c(=O)n21 82211793 YHBFIGBHIMIICO-LBPRGKRZSA-N 362.499 2.954 0 1 FFAF CC(C)n1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82212538 XNNCLOXWKMRVID-HNNXBMFYSA-N 374.485 2.704 0 1 FFAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1 199213928 SKPDFFWTGHLEGA-SFHVURJKSA-N 353.451 2.821 0 3 FFAF COCC(=O)N(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894849 NNDLDBAPAQCFGH-RZUBCFFCSA-N 372.509 2.554 0 1 FFAF NC(=O)O[C@H](CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1 95574927 BTBQWSDNKCARCK-LJQANCHMSA-N 373.428 2.880 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)C[C@@H]2O 31457129 DPVUITDUDZIAQO-STQMWFEESA-N 357.406 2.661 0 1 FFAF biogenic COc1cc2c3c(c1)O[C@@](CC(=O)C(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587447150 MFSAMTFRLVBVTD-BTYIYWSLSA-N 366.369 2.690 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccccc4O)CC3)[nH]c12 586896368 CEJGCSRUUITOBT-UHFFFAOYSA-N 357.435 2.599 0 1 FFAF Cc1ccc2c(ccc3nc(-c4cc(S(N)(=O)=O)ccc4F)[nH]c32)n1 587141920 ZKIKZJMEYKEGGL-UHFFFAOYSA-N 356.382 2.873 0 1 FFAF COc1cccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586924896 CCPGCQZLIKCDNR-UHFFFAOYSA-N 358.419 2.791 0 1 FFAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)ncc4[nH]3)no2)n1 587118186 KHDLNARTNBPUSH-UHFFFAOYSA-N 369.694 2.925 0 1 FFAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CN1C 587582466 LKIDIESMZYJPOP-XLIONFOSSA-N 351.358 2.511 0 1 FFAF COC(=O)[C@@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527181 RIBNHDCGDOIRAU-PZJWPPBQSA-N 355.434 2.537 0 1 FFAF CC1=C[C@@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582159 KIJSGMMJTBVNLZ-PXNSSMCTSA-N 351.358 2.859 0 1 FFAF Cc1ccnc2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587201654 APWAVFBJLPACHM-CYBMUJFWSA-N 354.366 2.709 0 1 FFAF CCOC(=O)[C@]1(c2c(C)cccc2C)N[C@H](C(=O)O)Cc2cccc(F)c21 962905232 ZBICBEBVDGLYKR-HRAATJIYSA-N 371.408 2.848 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@H](O)C(C)C)ncc12 1772624218 ZLVGVXSUBMGOAD-IAGOWNOFSA-N 369.425 2.846 0 1 FFAF C[C@@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169637881 SULJQTGPGCOLMA-KMRUKNPZSA-N 350.499 2.537 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(NC(=O)CN)cc3n2)cc1Cl 1857580442 BQOHYXWFQJMSNM-UHFFFAOYSA-N 360.801 2.569 0 1 FFAF Cc1nc2c(C)cccn2c1C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1857604048 OQWUZJXFCSVGRB-IBGZPJMESA-N 366.446 2.870 0 1 FFAF Cc1c(N2C[C@H](C)N[C@H](C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520951 DQCKTCSKHYOPNI-PHIMTYICSA-N 373.428 2.509 0 1 FFAF COc1c(OC)c2c(C)c(CC=C(C)C)c(=O)c3c(O)oc(O)c(c1=O)c23 2356468955 WDMGUGYJTNNSJQ-UHFFFAOYSA-N 372.373 2.990 0 1 FFAF Cc1nn([C@@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3occc3n12 6807351 BGZSFBNQWPUXCY-AVGNSLFASA-N 356.426 2.616 0 1 FFAF CC1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26489120 ACDKNPRPWHJLSR-SFHVURJKSA-N 368.389 2.868 0 1 FFAF C[C@H](CCc1ccccc1)NC[C@@H](O)c1cc(C(N)=O)c2c(ccn2C)c1 25969548 IIVGKARVLHONDS-FOIQADDNSA-N 365.477 2.922 0 1 FFAF Nc1nc(NO)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1 26257782 WBASLNWSERWYCM-UHFFFAOYSA-N 366.402 2.999 0 1 FFAF COc1ccc(OC)c(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1 115731590 KCPZBEWVTSNUGY-UHFFFAOYSA-N 356.382 2.806 0 1 FFAF COC(=O)c1ccc2c(c1)C[C@H](OC(C)=O)[C@](C)(CC=CC(C)(C)O)O2 2356330556 SWSDHHIUKXEGAW-PXNSSMCTSA-N 362.422 2.816 0 1 FFAF COc1ccc2c(c1OC)C(c1ccc3c(c1)OCO3)=C1C(=O)OC[C@H]1C2 2356533410 CZEUIACCFFFCLU-CYBMUJFWSA-N 366.369 2.964 0 1 FFAF C[C@@H]1CN(CC(=O)N2CCc3cc(F)c(-c4ccccc4)cc32)CCN1 143293220 WNDJXYITOMRITB-OAHLLOKOSA-N 353.441 2.676 0 1 FFAF COC(=O)/C=C(/C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C 238731528 HLWQPWKHHFLJCJ-ODTJCOPHSA-N 368.514 2.821 0 1 FFAF O=S(=O)(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142934384 PYHKYGFZDLEQKV-UHFFFAOYSA-N 370.312 2.951 0 1 FFAF C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1 95553687 ZEVAYPOLTQWGHH-LBPRGKRZSA-N 371.462 2.766 0 1 FFAF CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441741 MCZRXWBALMOIIX-IERDGZPVSA-N 368.385 2.997 0 1 FFAF Cc1ccc(-c2nnc(SCc3nc4cc(=N)[nH]cc4[nH]3)n2C)cc1 586965646 NLZFMOOSTABALN-UHFFFAOYSA-N 351.439 2.767 0 1 FFAF COc1cncc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587132198 MPTIIUUGTPFEAX-VIFPVBQESA-N 354.357 2.936 0 1 FFAF COC(=O)c1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cn1 587155833 IFYAIQFKBKEQBG-UHFFFAOYSA-N 367.340 2.745 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O 587453749 GURDXVXJZKDXER-HZUJVAHNSA-N 350.370 2.983 0 1 FFAF Cc1cc2c(cc1F)[C@](CN1C(=O)CCC1=O)(c1ccccc1)NCC2 962093019 OZYHEEOLDLCOJI-NRFANRHFSA-N 352.409 2.672 0 1 FFAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ccsn2)c2ccccc12 1772641201 BZBMYMGGWOWYRW-PBWFPOADSA-N 369.446 2.763 0 1 FFAF C[C@@H](CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 5034355 GLQULLFLRZGZKX-ZDUSSCGKSA-N 365.389 2.873 0 3 FFAF aggregator CCCCc1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1 12596998 NJXZSZGSDQNIPU-UHFFFAOYSA-N 365.437 2.923 0 3 FFAF COc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)c1 13492649 AZSNMHBBOOLVAC-UHFFFAOYSA-N 373.884 2.901 0 1 FFAF CC(C)[C@H](CO)Nc1nc(Nc2cc(C(C)(C)C)n(C)n2)c2c[nH]nc2n1 169702566 RNQDYIXBGRKWPC-LBPRGKRZSA-N 372.477 2.556 0 1 FFAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206682 BVZMKUZMOXRNKX-UKRRQHHQSA-N 350.827 2.602 0 1 FFAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCOCCO 4212652 VGJDTVYZPXUESN-RBUKOAKNSA-N 362.470 2.826 0 1 FFAF C[C@H](CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1 6822410 JABYEKSTWVBNIU-CYBMUJFWSA-N 365.389 2.923 0 1 FFAF CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)CC1 103280491 MWUSGAORMWWVMY-UHFFFAOYSA-N 357.454 2.597 0 1 FFAF COCCN(C)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2 28949413 KDJMZOXNVPPRJC-UHFFFAOYSA-N 359.455 2.605 0 1 FFAF Cc1cn(-c2cc(C)c3[nH]c(=O)ccc3c2)c(I)n1 29340835 HASZYZXTRHDOAG-UHFFFAOYSA-N 365.174 2.935 0 1 FFAF CN1CCN(C2=C(Cl)C(=O)N(c3c(Cl)cccc3Cl)C2=O)CC1 64497670 GPKUZLRPWKJQGD-UHFFFAOYSA-N 374.655 2.564 0 1 FFAF COc1cccc(-c2nc3nc(N)nc(N)c3nc2-c2cccc(OC)c2)c1 28711094 OMTVAGKOENPQBI-UHFFFAOYSA-N 374.404 2.935 0 1 FFAF Cc1nc(N)nc(-c2cccnc2Nc2ccc3c(c2)OC(F)(F)O3)n1 113237189 BXTCWSVCCAUVFO-UHFFFAOYSA-N 358.308 2.889 0 1 FFAF COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3[C@H]2CO)ccc1O 2356554339 UVDICCHWGJQZBX-VLIAUNLRSA-N 358.390 2.625 0 1 FFAF CCOC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@H]1[C@@H]1CCOC1=O 3904983 XHLMGXQDSRMJJK-XKQJLSEDSA-N 354.358 2.585 0 1 FFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@@H](CO)[C@@H](O)C3 2356656809 YNMLSPGNWXNXLY-GUBWTFQKSA-N 364.482 2.943 0 1 FFAF C[C@@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]3CC[C@@](C)([C@H](O)CCO)C=C3CC[C@H]12 2356773689 GNPDLQDXTKVGFC-MTPZLDIWSA-N 352.515 2.642 0 1 FFAF CN1CCN(Cc2ccc3c(c2)Cc2c(-c4nccs4)n[nH]c2-3)CC1 40565943 XXTICJCISXSXOC-UHFFFAOYSA-N 351.479 2.852 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 40165304 AOPOCGPBAIARAV-RYHPKNGNSA-N 350.455 2.905 0 1 FFAF endogenous,in-man Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O 84604996 XEXXLSSPQTWUID-DFBGVHRSSA-N 365.441 2.759 0 1 FFAF O=C(COc1nn(-c2ccccc2F)c2ccc(F)cc12)N1CCOCC1 653852803 FFXBKKBNWGBOAE-UHFFFAOYSA-N 373.359 2.541 0 1 FFAF CN(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587574786 YSUODAXVKMTNSP-APWZRJJASA-N 363.373 2.951 0 1 FFAF Cc1ccnc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 587181769 CIORJTAZMQTDSU-VIFPVBQESA-N 367.194 2.985 0 1 FFAF COC1(OC)CCOC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587834924 NKGKYXUWEGMZGQ-BONVTDFDSA-N 374.250 2.727 0 1 FFAF NC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350324 ZEIJPNZUEVAVOR-KRWDZBQOSA-N 370.380 2.804 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc12 587174507 JYAIRYYSJFIMFS-CYBMUJFWSA-N 353.357 2.607 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)CCC1=O)(c1ccccc1)O2 587390788 JDLHAQXAGZONGQ-OAQYLSRUSA-N 364.401 2.587 0 1 FFAF Cn1ccc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 963155871 ZIWWCSFYYVSRHT-STQMWFEESA-N 363.439 2.817 0 1 FFAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1ccccc1F 1772586891 ITMSRNJKTCZBKP-QGZVFWFLSA-N 355.369 2.688 0 1 FFAF O=c1c2c([nH]c3ccccc13)[C@@H](c1cc(CO)co1)N(c1ncccn1)C2 1857643639 KNZDLUCLAWNBEQ-GOSISDBHSA-N 360.373 2.513 0 1 FFAF COc1ccc(-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)cc1 1652830 WQMQKRHQGOKJGE-UHFFFAOYSA-N 367.449 2.878 0 1 FFAF COC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 2043393 PVALLOSAENRPQO-INIZCTEOSA-N 352.438 2.534 0 1 FFAF in-vivo O=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12 3030415 WYAHTOGILGNFOI-UHFFFAOYSA-N 362.414 2.748 0 3 FFAF COc1cc([C@@H]2OC[C@@H]3[C@@H]2C(=O)O[C@H]3c2ccc3c(c2)OCO3)ccc1O 6453826 ADTULSGZUFJGNI-JNPHEJMOSA-N 370.357 2.731 0 1 FFAF O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C(O)/C=C/c1ccccc1 101816885 FXQYSNXQELVSLT-DFQUBZKKSA-N 362.385 2.833 0 3 FFAF aggregator C[C@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCCO3 29123856 IXPXSMPKNNYNCP-SECBINFHSA-N 357.797 2.679 0 1 FFAF CCCNC(=O)c1cc([C@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)on1 61903982 NUHVKHPPQOGLHF-HNNXBMFYSA-N 371.437 2.843 0 3 FFAF Nc1nc2cc(-c3cnc4[nH]c(=O)n(CC5CCCCC5)c4n3)ccc2[nH]1 82152536 ODYHYESAEXHYRB-UHFFFAOYSA-N 363.425 2.825 0 1 FFAF COc1c(-c2ccccc2S(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F 224824228 LAIKCLCTEJFZBN-UHFFFAOYSA-N 373.409 2.944 0 1 FFAF CCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O 45356693 OAPRLCDYMRNYNC-UHFFFAOYSA-N 370.434 2.590 0 1 FFAF COCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82142989 FGSKQMJQMIVOGW-ZIAGYGMSSA-N 358.442 2.595 0 1 FFAF C[C@H](/C=C\[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 238747685 KNOYIRAECGPNAK-VNXFAURGSA-N 364.482 2.556 0 1 FFAF CCCOC[C@@H]1CCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)C1 92028701 LULAGEQCQWAJSW-GFCCVEGCSA-N 362.455 2.503 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@@H]3C[C@H]3C2)cc1F 261084210 CGZVQSPAVOGIDV-CHWSQXEVSA-N 367.442 2.817 0 1 FFAF COc1ccc(NS(=O)(=O)c2cccc(-c3csc(=O)[nH]3)c2)cc1 299871245 YEBXICHCIFFBQJ-UHFFFAOYSA-N 362.432 2.913 0 1 FFAF COc1c(F)ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1N 587132530 CQBMVBFJLKVJLC-UHFFFAOYSA-N 356.401 2.792 0 1 FFAF CCn1ncc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587433451 YKXJHCNRLYZSND-RJQFULPZSA-N 367.449 2.938 0 1 FFAF CCOC(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1 586920582 NGMCUBQAZWIWEC-UHFFFAOYSA-N 374.418 2.722 0 1 FFAF OCCc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184638 KGDQCLZAHHYGEN-UHFFFAOYSA-N 365.174 2.764 0 1 FFAF CCOC(=O)C[C@@]1(C[C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448060 BHMNEVDORFZYNO-XBHMSOGKSA-N 360.406 2.704 0 1 FFAF COc1ccc(/C=C\Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c1 587929718 OXZPMTSSUGZMFB-ARJAWSKDSA-N 362.393 2.812 0 1 FFAF CC(C)NC(=O)c1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933202 SLMJREUMRQGYLQ-HXUWFJFHSA-N 365.477 2.762 0 1 FFAF C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ncccn1 1772598509 LEGCGTRFFZCTEQ-SECBINFHSA-N 363.757 2.653 0 1 FFAF Cc1nnc([C@@H]2CCCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C2)o1 1772605285 PTNJDBRUJNQVCL-WVTCKDTHSA-N 361.442 2.634 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@@H](O)C3=O)O1 5424911 IQOIPKBZJPSWAV-ROUUACIJSA-N 356.374 2.879 0 1 FFAF biogenic COC(=O)[C@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@@H]2CC[C@H]1N2C 13738425 LDJPMOIHMAEPSX-DRABBMOASA-N 353.260 2.771 0 1 FFAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1[C@H]2O)OCO4 14618298 FLSSXYPKPLFNLK-MOPGFXCFSA-N 355.390 2.579 0 1 FFAF biogenic Nn1c(S)nnc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857574900 WECOIFPIARLUBG-UHFFFAOYSA-N 366.402 2.633 0 1 FFAF Cc1cc(C)n(-c2nc(=NCc3ccccc3)nc(N3CCCCC3)[nH]2)n1 1857579247 YPLRPKVRHUIZQZ-UHFFFAOYSA-N 363.469 2.698 0 1 FFAF CN(C)CCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 1857655544 XWVUGNPZTAIFIC-UHFFFAOYSA-N 352.394 2.904 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCCc1cccnc1)c2=O 1857620316 BMEFDYWLNSOVBE-UHFFFAOYSA-N 372.856 2.912 0 1 FFAF COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1 1379353 TVZOVUKONITDRM-GOSISDBHSA-N 359.470 2.818 0 3 FFAF O=C(O)CSc1nc(SCC(=O)O)c2c3c(sc2n1)CCCC3 2180946 DVWVPAHKRSITLY-UHFFFAOYSA-N 370.477 2.924 0 1 FFAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCCN1CCCC1=O 2483514 MJJQNDMKMXJRJS-UHFFFAOYSA-N 359.426 2.974 0 1 FFAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305971 XABKFXJAZDZBDA-ZIAGYGMSSA-N 358.442 2.636 0 1 FFAF CCOC(=O)CCCN1N=C2c3cc(OC)cc(OC)c3CC[C@@H]2CC1=O 103301541 NVXBOJFZLFTWSG-CYBMUJFWSA-N 374.437 2.546 0 1 FFAF CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 103108312 JZLJBDZTYASOTL-IUVQAAGXSA-N 361.463 2.764 0 1 FFAF CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 101139467 SFWQJLUQLRSSCF-JHNDHUHGSA-N 357.406 2.961 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2 2356457878 DJANQNNGVQFNMT-PNDFQMOFSA-N 350.455 2.798 0 1 FFAF O=C(O)c1cc(CN2CCc3cc(F)ccc3C2)c2ccccn2c1=O 66076961 PAABTYXCDZEAFE-UHFFFAOYSA-N 352.365 2.695 0 1 FFAF CC=C1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1c(OC)cccc14 2356662535 VEAKGMSEYPLAQM-CQURBHOASA-N 352.434 2.840 0 1 FFAF CCSC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H]([C@@H](C)O)[C@H]2S1 26381776 XXLSGOZSZYOOLC-IXPVHAAZSA-N 365.476 2.564 0 1 FFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NCCO)(C1CCCC1)C(=O)N2 219376983 FNDNIJJWRCWPOB-HXUWFJFHSA-N 355.438 2.878 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@H]([C@@H](O)CO)OC2 195477575 IVJQHPFJFSRCHY-HEJRCUKBSA-N 356.418 2.753 0 1 FFAF CO[C@@]1(C)CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)CNCCS(=O)(=O)O)C2(C)C 238772426 OMVQPKQKZVZTMM-GJWPJNNNSA-N 373.559 2.967 0 1 FFAF CCCCCC(=O)O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1 238779211 IWKSNUCWADZDQR-ZSXDVEMLSA-N 362.514 2.974 0 1 FFAF C[C@H](Nc1cc(N2CCOCC2)[nH]c(=O)n1)c1cccc2ccccc12 95580642 HAQACYJAMKDIEN-AWEZNQCLSA-N 350.422 2.933 0 1 FFAF CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 263638932 YBDIDQHYUBEDQR-RKFFNLMFSA-N 352.434 2.780 0 1 FFAF CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 35464585 AECRFOBLAOZFPX-GKBFQHABSA-N 368.514 2.967 0 1 FFAF biogenic C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC(C)(C)CO 653725548 GBVNBSORGOMGLF-RDTXWAMCSA-N 352.434 2.832 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc2n1 587784826 JVWXYLOYFMJHEW-QWHCGFSZSA-N 351.362 2.688 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1snnc1C 587869397 IZRJWAAKSCZMFV-UHFFFAOYSA-N 369.328 2.821 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586931020 ZFNYAQSABLZYOQ-UHFFFAOYSA-N 366.240 2.781 0 1 FFAF CCOC(=O)[C@@H](c1cccnc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435932 KMWYDABSNIEMMS-FQELHTAISA-N 367.401 2.943 0 1 FFAF Cc1onc(-c2nc3nc(=N)[nH]cc3[nH]2)c1COc1ccc(Cl)cc1 587075490 JQTOKDRAXKDDJR-UHFFFAOYSA-N 356.773 2.961 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc(C)c3[nH]2)cc1 587228706 QCROYJNXRLXRMP-UHFFFAOYSA-N 353.382 2.765 0 1 FFAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3ccccn3n2)N1 962976743 OFYLTOZMQNUHNZ-CJNGLKHVSA-N 363.751 2.954 0 1 FFAF C[C@H](Oc1ccccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32)C(=O)O 963032767 SPUUZGCJCUMQTN-MRRFBWAASA-N 366.417 2.681 0 1 FFAF C[C@@]12/C=C/C=C\C3=C(COC3=O)C[C@@H](O)[C@H]1C(=O)O[C@@H](c1ccoc1)C2 1772599657 WLDOMKKPGHUEGE-KDNWUVLVSA-N 356.374 2.621 0 1 FFAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CCO)c1ccccc1 1772655979 GCKIJVYMPZVOFI-GOSISDBHSA-N 351.406 2.939 0 1 FFAF CCNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5843531 RRGOWYKIBMTSOP-GFCCVEGCSA-N 373.428 2.610 0 1 FFAF O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)Nc2cc(-c3ccccc3)nn21 13123724 PMLQNCYFCMZPGS-NEPJUHHUSA-N 367.249 2.824 0 1 FFAF N=C(N)Nc1ccc([C@@H]2CC(=O)O/C(=C/I)C2)cc1 13651066 COQHRXZDELUWKF-FKVCUQLRSA-N 371.178 2.689 0 1 FFAF OC[C@H]1[C@H](Cc2ccc3c(c2)OCO3)CO[C@@H]1c1ccc2c(c1)OCO2 14642050 JOCPSXXUQJXDBI-QEEYODRMSA-N 356.374 2.683 0 1 FFAF CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]32)CC1 169367878 MBHDDUWLICMNCR-WRHMZVANSA-N 360.498 2.775 0 1 FFAF O=C(Nc1ccc(C(=O)N2CCC(O)CC2)cc1)N1Cc2ccccc2C1 167508819 MGGXEMBOJOYLRA-UHFFFAOYSA-N 365.433 2.831 0 1 FFAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@@H](C)[C@H](O)c1cc2c(cc1O)OCO2 2356386828 XKIPVJSCMKBSDW-VSBNPSRXSA-N 374.389 2.889 0 1 FFAF C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 2356314509 QIJNCQNMZUTUIF-QDTBLXIISA-N 366.435 2.999 0 1 FFAF Cc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1Cl 100623092 KXRVUFRNLIWJKV-IOASZLSFSA-N 370.902 2.719 0 1 FFAF O[C@H](c1ccc(Br)cc1)C(Cn1ccnc1)Cn1ccnc1 28874490 DZGDDWWLZLULQX-MRXNPFEDSA-N 361.243 2.892 0 1 FFAF COc1cccc2c1CCC[C@@H]2NCCN1CCN(c2ccccn2)CC1 22778519 WMEXYJKBXVWCOJ-FQEVSTJZSA-N 366.509 2.879 0 1 FFAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1 2356513093 RFUDNDQXKDXCES-WMLDXEAASA-N 354.385 2.646 0 1 FFAF COc1c(O)cc2c(c1O)C(C)(C)O[C@@H]1Cc3c(O)cc(O)cc3O[C@@H]21 15149805 UEYVPAAGIXRIKF-PBHICJAKSA-N 360.362 2.828 0 1 FFAF biogenic COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H](O)[C@H]2O)c1 72134917 ALNBBVCAIQVVKF-OAGGEKHMSA-N 351.196 2.986 0 1 FFAF CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2C1 38238488 AKXKXHUDKWGXFD-UHFFFAOYSA-N 369.446 2.928 0 1 FFAF OCC1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40916645 JHJRGJMWYNAMQH-OAQYLSRUSA-N 351.450 2.819 0 1 FFAF C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3CCCC[C@H]3O)c2n1 84652601 OTWLVNFRGNQGJP-DSJMHWKBSA-N 372.469 2.807 0 1 FFAF CC(C)/C1=C/[C@@H](O)[C@]2(C)O[C@@H]2C[C@H](O)[C@]2(C)CCC=C(CC1)C(=O)O2 238773433 YZULCUXDISADQG-LLFSWAJLSA-N 350.455 2.654 0 1 FFAF CNc1nc(Nc2cnn(CC(C)(C)O)c2Cl)ncc1C(F)(F)F 95581865 IKBCWJODRQLGHR-UHFFFAOYSA-N 364.759 2.902 0 1 FFAF CCN1Cc2nnn(Cc3ccc(C)cc3)c2-c2ccccc2S1(=O)=O 96019396 RYJMSCDTWNBQEX-UHFFFAOYSA-N 368.462 2.826 0 3 FFAF C[C@@]1(CO)C=Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1 140017903 BACGXKPNSGHSMM-FQEVSTJZSA-N 368.341 2.733 0 1 FFAF N[C@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@H]12 85758682 INCNNKYUDFBEIB-FZMZJTMJSA-N 354.273 2.793 0 1 FFAF biogenic O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccn2N1 587585855 HACPLBJPWDYGIA-XLIONFOSSA-N 362.341 2.525 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1N)OCCO4)[C@@H](C2)C3=O 587432507 MRTKERCREIKGJL-RNODOKPDSA-N 353.374 2.711 0 1 FFAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)CC(=O)c2cc(C)cc(N)c2O1 587392184 REPGWUUZBUPYFV-LJQANCHMSA-N 357.410 2.608 0 1 FFAF Nc1cccc(O)c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587250312 MLWUNXOWMVOHOP-UHFFFAOYSA-N 357.313 2.811 0 1 FFAF CN1C(=O)C[C@H]2CN[C@H](c3nccnc3-c3cccnc3)c3cccc1c32 963038732 YATMHQWMSJPHHK-XOBRGWDASA-N 357.417 2.681 0 1 FFAF Cc1ccccc1CN(CCC(=O)O)Cc1ccc(C(=O)O)c(C(=O)O)c1 1772645883 UZBCQQRYGVXQLL-UHFFFAOYSA-N 371.389 2.868 0 1 FFAF COC(=O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2ccccc2c1 13861938 SULFMPMRSCCZRA-KRWDZBQOSA-N 364.405 2.553 0 1 FFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1 150174175 BULZFDBUMKGDON-LJQANCHMSA-N 366.396 2.925 0 1 FFAF CC(=O)N1CCC(NC(=O)NC23CC4C5CC6CC4C(C2)C(C6)C5C3)CC1 1857565900 IRFTZECKQTUTIQ-UHFFFAOYSA-N 371.525 2.757 0 1 FFAF CCC[C@@H](C)NC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)cnc1N 1857585583 CHSWMOQRVPTUPS-LLVKDONJSA-N 374.441 2.670 0 1 FFAF NC(=O)COc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1 6732518 WPMLQUTVJVFLGU-UHFFFAOYSA-N 359.769 2.833 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4C)C[C@@H]3C2)n1 116825646 LVLRJZJKZYIJOH-QZTJIDSGSA-N 350.466 2.919 0 1 FFAF O=S(=O)(NCCCCc1c[nH]cn1)c1ccc(OC(F)(F)F)cc1 26281633 TWPHREBKJNHZKY-UHFFFAOYSA-N 363.361 2.610 0 1 FFAF COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2C3)cc1 100944654 PCMIHVHYLHCSMN-KODHJQJWSA-N 366.417 2.981 0 3 FFAF Cc1c(N2C[C@H](C)O[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 27518175 CJUOVSIYAKUZJX-QWRGUYRKSA-N 371.437 2.539 0 1 FFAF CCO[C@@H]1CO[C@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@H](OC)C[C@@]12C 2356504398 PTLYLXSSWBSQTJ-WHGXFYBISA-N 358.475 2.783 0 1 FFAF COc1cc(CN2C(=O)[C@@H](C)ON=C2c2ncccc2C)cc(OC)c1 61927873 LLAZBFNZRWXPLT-CYBMUJFWSA-N 355.394 2.516 0 3 FFAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C=C21 2356846847 ORCAKFVXOVUUIY-UHFFFAOYSA-N 355.390 2.993 0 1 FFAF COc1cc(N)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c(OC)c1 33747553 LNZMLWAHFDCYGT-UHFFFAOYSA-N 356.338 2.808 0 1 FFAF COc1ccc2c(c1)CN(C(=O)NCCc1ccc(O)c(O)c1)CCS2 35284656 VYCIINMJFJQQEL-UHFFFAOYSA-N 374.462 2.966 0 1 FFAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C#N)nc12 138020021 UWTLXBIEGTWTMZ-UHFFFAOYSA-N 361.384 2.999 0 1 FFAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1Nc1ccc2c(c1)CCC2 82203766 KJRDPBNXTXYRQL-INIZCTEOSA-N 351.454 2.719 0 1 FFAF O=C(c1cc(OCC(F)(F)F)c(C2CC2)cn1)N1CCCC12COC2 146265892 WLSNQIMVMPGRMV-UHFFFAOYSA-N 356.344 2.905 0 1 FFAF NCCOCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587245197 PVRNIGQFEMMYTC-UHFFFAOYSA-N 354.126 2.699 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)C(C)C 586932496 GGAWCFUUPOUZHR-CYBMUJFWSA-N 353.444 2.678 0 1 FFAF Nc1cnc(-c2nc3c(Br)ncc(Br)c3[nH]2)nc1 587252778 MABZQPJZKXTCRA-UHFFFAOYSA-N 370.008 2.522 0 1 FFAF Oc1nc(O)c2ccc(-c3cc(Br)cnc3Cl)nc2n1 587367167 UPEKEWMVKHFFGQ-UHFFFAOYSA-N 353.563 2.914 0 1 FFAF N[C@@H](N=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008830 PDWOOKFUKMDERG-LBPRGKRZSA-N 372.186 2.759 0 1 FFAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc5cn[nH]c5c4)cnc3c12 13676099 XQYCBNLGAYCTLX-UHFFFAOYSA-N 362.418 2.938 0 1 FFAF CO[C@@]1(C)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169329941 QTGPFHRVNUSSMG-FQEVSTJZSA-N 365.437 2.801 0 1 FFAF C=c1c(C(=O)OC)c(O)/c(=C\c2cccs2)n1-c1ccc(Cl)cc1 169688856 GESBEGNCAPNUTI-XNTDXEJSSA-N 359.834 2.924 0 1 FFAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203540941 SAFUJJVYTDTQRO-CYBMUJFWSA-N 372.375 2.788 0 1 FFAF CNC(=O)Nc1cc(Oc2cncc(OC)c2)c([C@@H]2CCCN(C)C2)cn1 1857585158 KGCLYJCUOWKEBI-CYBMUJFWSA-N 371.441 2.838 0 1 FFAF CC(=O)N1CCOc2cc(S(=O)(=O)NCc3ccc(C)cc3)c(C)cc21 6893111 LRXGGFSPDMNFFM-UHFFFAOYSA-N 374.462 2.527 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@@H]([C@H](C)C(=O)O)C[C@H]2[C@]1(C)O 1911582272 SARUSCQOSZSSLB-PLTUAPJKSA-N 366.454 2.732 0 1 FFAF CCOC(=O)c1ccc(NCCCCNc2nc(N)nc(O)c2N=O)cc1 27743276 QGIRSNGJDGKOFV-UHFFFAOYSA-N 374.401 2.643 0 1 FFAF NCCNc1ccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c2c1 66103531 QXPWRAXEWDBKHX-UHFFFAOYSA-N 366.446 2.920 0 1 FFAF COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(CO)c1O2 35017848 LWZMZVTVRGBVAB-UHFFFAOYSA-N 360.318 2.533 0 1 FFAF COc1ccc(CC(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1OC 74377026 WCWLOKQZVMRMPD-LPHOPBHVSA-N 366.417 2.508 0 3 FFAF CCC(=O)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2nnn[nH]2)c1 84711595 GORHUZRBGXPWAD-UHFFFAOYSA-N 351.366 2.539 0 1 FFAF C[C@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)C(=O)OC(C)(C)C 95662068 FMTPPIHXNCHISQ-WFASDCNBSA-N 363.458 2.605 0 1 FFAF CCN1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O 96019373 UJTICOSVIQQGGO-UHFFFAOYSA-N 372.425 2.657 0 3 FFAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 587236512 XCCJOEDBYDUVOA-PHDIDXHHSA-N 373.048 2.937 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](O)SCC(=O)O)O2 587409320 LHTDMYLHYZXJNH-RTBURBONSA-N 373.430 2.574 0 1 FFAF Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12 586952417 FWIUDSQYOJCZQY-UHFFFAOYSA-N 356.879 2.918 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586959090 OMSOTWFXOFALBX-HNNXBMFYSA-N 369.805 2.824 0 1 FFAF CCc1cc(O)nc(SCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)n1 586966859 PLGKZRNNVAEEKL-UHFFFAOYSA-N 374.422 2.708 0 1 FFAF [O-][n+]1ccccc1SCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586969122 GQKYBHJBEQBKTL-UHFFFAOYSA-N 361.736 2.902 0 1 FFAF Cc1cc2ncc([C@H]3c4nn(C)cc4CCN3C)n2cc1Br 963955712 RUJIYVZDLSNBKS-INIZCTEOSA-N 360.259 2.716 0 1 FFAF CC1(C)Oc2c(O)cc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@@H]1O 14695525 ZCVDLJXIVVGRBZ-INIZCTEOSA-N 370.357 2.651 0 1 FFAF endogenous,in-man COc1ccc(-c2nnc(NC(=O)Nc3ccccc3)nc2N)cc1OC 169342178 WEPHKQRCIPMOHW-UHFFFAOYSA-N 366.381 2.782 0 1 FFAF COc1ccc2c(c1)N[C@@]1(CCNC=O)C2=NCCc2c1[nH]c1ccccc21 169503039 MECWMLXKVKDFDN-QFIPXVFZSA-N 374.444 2.979 0 1 FFAF CC(=O)N1CC[C@@H](Nc2nccc(-c3c(-c4ccccn4)noc3C)n2)C1 1857651254 HPTQEOVMRXARJS-CQSZACIVSA-N 364.409 2.535 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CNC(C)C)O3)no2)cc1 2356312742 JEBNURKFIPMVIQ-NLWGTHIKSA-N 360.454 2.799 0 1 FFAF CC1=C[C@@H]2C=C(C)[C@@H]3C[C@H](O)C[C@]3(O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@@H]1C 2356328684 YRFACIIPVMVLPW-OZEOIBLKSA-N 359.510 2.808 0 1 FFAF C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839812 STZRZIMQWDRFEY-WFASDCNBSA-N 373.478 2.683 0 3 FFAF O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12 68249340 JINGDMDMXXTIJH-ZDUSSCGKSA-N 355.829 2.760 0 1 FFAF CC=C1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356503343 FCUKPABXXVEFHR-SCTDSRPQSA-N 370.449 2.520 0 1 FFAF O=C(C1CC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72141450 URKNFCYMXRPUKM-SFHVURJKSA-N 356.857 2.774 0 1 FFAF CC(C)[C@]1(O)C=C[C@](C)(O)CC[C@@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356600879 CUWYFUIWYABLKL-VBSBHUPXSA-N 352.471 2.638 0 1 FFAF COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2OC)ccc1O 2356655858 NOULHEAGJYQCHF-IEBWSBKVSA-N 356.330 2.992 0 1 FFAF CCN1CCCC[C@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 28644166 CCIDCSNKRNVVRH-AWEZNQCLSA-N 374.416 2.504 0 1 FFAF N[C@@H](Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 70719792 ZYUZLEUJKZZXNN-SFHVURJKSA-N 371.414 2.562 0 1 FFAF COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3CCCC3)n2)cc1 82066890 QJURGHBWAXAIBP-INIZCTEOSA-N 371.441 2.864 0 1 FFAF NC(=O)c1cnn2c1N(C(=O)Nc1ccccc1F)[C@H](c1ccccc1)C2 84541516 UEDXKKSIMOYNOB-INIZCTEOSA-N 365.368 2.915 0 1 FFAF O=C1c2ccccc2-c2nc3c(C(=O)NCCN4CCCC4)cccc3nc21 653691099 QYDNGIIOLXMIFW-UHFFFAOYSA-N 372.428 2.667 0 1 FFAF N=c1nc(O)c2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2[nH]1 587152245 YJPIYCFURPZJKU-CQSZACIVSA-N 369.331 2.918 0 1 FFAF CC(C)[C@@]1(CS(=O)(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587530138 DXBBBRGRXMNJEX-IBGZPJMESA-N 365.495 2.817 0 1 FFAF CC(=O)N[C@@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1 586985529 NTVARCYUWQXWQR-LBPRGKRZSA-N 360.215 2.535 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cc(F)c2[nH]1 586929428 CBCFAONXXFRYIC-UHFFFAOYSA-N 369.805 2.890 0 1 FFAF CCN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579893 APZLQGYKVSFMPI-XLIONFOSSA-N 353.374 2.735 0 1 FFAF O=C1C[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 587522016 DLUCAEXWLQLAPJ-FOQDVSOJSA-N 355.434 2.742 0 1 FFAF CCc1cc2c(O)nc(O)nc2nc1C1(c2ccccc2)CCNCC1 587556732 YKNYWHYMHWFSRX-UHFFFAOYSA-N 350.422 2.668 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(CC(N)=O)c3ccccc13)O2 587389005 CUOYZSQKEDVWTR-OAQYLSRUSA-N 363.417 2.898 0 1 FFAF COCCOc1ccccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963014767 AHDDETRPUWBSJQ-SZNDQCEHSA-N 352.434 2.855 0 1 FFAF COc1ccc(C[C@H]2[C@@H](O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642309 FDXPFHFRXMBVEU-MRUHUIDDSA-N 372.417 2.799 0 1 FFAF endogenous,in-man C[C@@]1(c2nnnn2-c2ccc3ccccc3c2)CSCC(=O)N1C1CC1 203465412 PTGJTWLSRGNPKK-IBGZPJMESA-N 365.462 2.769 0 3 FFAF COc1ccc(Cl)cc1C(=O)NCCc1ccc(CCC(N)=O)cc1 103299081 BLRVANKTXLLVMM-UHFFFAOYSA-N 360.841 2.739 0 1 FFAF O=C(O)CNCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28382550 CJAKHQQOVPIKRV-UHFFFAOYSA-N 367.833 2.688 0 1 FFAF N[C@H](C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1 29125772 MRDSKNIFGPJOPB-HOCLYGCPSA-N 357.479 2.988 0 1 FFAF CCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27739069 RSKCDSJYHDNMMI-CYBMUJFWSA-N 360.454 2.509 0 1 FFAF COc1cc(OC)c(S(=O)(=O)Nc2cccc(C)c2)cc1NC(C)=O 73273615 MLLRFFQEQMMVCQ-UHFFFAOYSA-N 364.423 2.771 0 1 FFAF O=C1[C@H]2CCCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1 73197699 URQVZPKHIUYIDP-QZTJIDSGSA-N 371.481 2.567 0 1 FFAF COC(=O)N1C=CC(=O)N(C(=O)COCc2ccccc2)[C@@H]1C(C)(C)C 82047656 XROASOBPUMKPCN-QGZVFWFLSA-N 360.410 2.526 0 1 FFAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C)nc12 136434000 GVXYGNNNENEIGC-UHFFFAOYSA-N 351.389 2.831 0 1 FFAF CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2cccs2)n1 82085824 BMMRYWHWEDUWBO-UHFFFAOYSA-N 371.418 2.656 0 1 FFAF NC(=O)c1cc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)no1 49033122 OJOZNLJWPOYUSO-UHFFFAOYSA-N 355.316 2.840 0 1 FFAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1CSCC[C@@H]1N=C2 140077378 MPEKCHDBHNYAJG-OLZOCXBDSA-N 351.378 2.789 0 1 FFAF COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)c1C 618015619 QGBBIIRLNFAAQC-ULQDDVLXSA-N 373.497 2.750 0 1 FFAF COc1cc(O)c2c(=O)c(O)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 59767986 XNIAWIUYUMBOBR-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC(=O)NCCc1ccc(O[C@@H]2OCC[C@@H]2O)cc1-c1cccc(F)c1 653740424 CTJUVGBGTMVIAG-PMACEKPBSA-N 359.397 2.657 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C 586932830 JLBCEKYPVCRPPD-HUUCEWRRSA-N 367.475 2.703 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCN(C)CC1)CC2=O 587475226 NIZJRLXEQXWTMI-LJQANCHMSA-N 360.498 2.952 0 1 FFAF CCN(CC)Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OC 587369855 QHNGWLLOHCSIQQ-UHFFFAOYSA-N 354.410 2.953 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]2(F)CCOC2=O)N1 587719621 LKKCGZXOSZBLSD-UKXDHYTESA-N 360.198 2.993 0 1 FFAF N=c1cc[nH]cc1-c1nc2c(Br)cnc(Br)c2[nH]1 587249284 LJVZMCHAHCZSKQ-UHFFFAOYSA-N 369.020 2.957 0 1 FFAF CC1=C[C@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582161 KIJSGMMJTBVNLZ-YLJYHZDGSA-N 351.358 2.859 0 1 FFAF Cn1ccc2c1-c1c(cc(S(=O)(=O)c3ccccc3)c(=O)n1C)CCC2 1772626349 FLWQXHZJQGERBP-UHFFFAOYSA-N 368.458 2.712 0 1 FFAF Cc1ccc(C(=O)NN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 169343965 QHLPKDWEHQXJMS-UHFFFAOYSA-N 362.477 2.981 0 1 FFAF C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26007008 ZSZFKFQQLNXTMB-QZTJIDSGSA-N 361.804 2.866 0 1 FFAF O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1ccncc1 20907712 OYXWAMRSELECLP-CQSZACIVSA-N 350.344 2.894 0 3 FFAF COc1cc(OC)c(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OC 28471224 MGJPNNODWRCBJT-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF Cc1ccc(N[C@H]2c3ccccc3C(=O)N2CCN2CCOCC2)cc1 20213422 RZHFQDMWIQFFGZ-HXUWFJFHSA-N 351.450 2.894 0 3 FFAF O=C1CO[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 2356533375 BVULGJPUHQGXLW-RDTXWAMCSA-N 354.358 2.513 0 1 FFAF CC(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@@H]1C 2356674657 PWSFKAFOGDABJH-MNJSBWKQSA-N 350.411 2.847 0 1 FFAF COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@H](OC)C[C@@]321 14440739 FFMDTHAKJBYVEN-PWRODBHTSA-N 373.449 2.525 0 1 FFAF biogenic Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccc2c(c1)OCO2 82203910 SVLLBAJQOLXVGZ-KBPBESRZSA-N 356.426 2.739 0 1 FFAF COc1c2cc(c(O)c1OC)C[C@@H](O)CCC(=O)CCc1ccc(O)c-2c1 238746825 QQZDVULKNUMTAM-HNNXBMFYSA-N 372.417 2.981 0 1 FFAF CCN(CC)C(=O)COc1c(F)cc(CC(=O)OC(C)C)cc1OC 299841414 ZRYFVAPSTYBCCN-UHFFFAOYSA-N 355.406 2.576 0 1 FFAF Cc1c(F)ccc2c1[C@@](C)([C@H]1C(=O)c3cccc4c3N(CC4)C1=O)NCC2 962095543 VADWTKSDNRSGFG-AVRDEDQJSA-N 364.420 2.897 0 1 FFAF Cc1noc(C)c1Cn1cc(N2CCN(Cc3ccccc3)C2=O)cn1 115731631 MDRVGLOFKDNZHI-UHFFFAOYSA-N 351.410 2.978 0 1 FFAF Cc1ccc(CN(C)C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 5043924 PPPUPFCXAZKVHC-OTXOEQGISA-N 371.477 2.828 0 1 FFAF COc1c(C)c(Cl)nc(Cn2cnc3c(Cl)nc(N)nc32)c1C 14974598 ONILORXEJHEYFD-UHFFFAOYSA-N 353.213 2.784 0 1 FFAF CN1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1 4087221 JLSWMMKPHSUGPN-UHFFFAOYSA-N 372.475 2.697 0 1 FFAF CO[C@@H]1CC[C@@]2(C)[C@@H]3[C@@H](CC[C@@H]2C1)[C@H]1CC[C@@H](NCCN)[C@]1(C)C[C@H]3O 59901695 FFSMUXROXURAGP-GNZRRGLBSA-N 364.574 2.932 0 1 FFAF aggregator O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(OC(F)(F)F)cc1)CC2 115608572 FJQBCEDWCKWTBL-NSHDSACASA-N 359.260 2.920 0 1 FFAF CNc1nc2cc(-c3cccc(CC(N)=O)c3)sc2n2c(C)cnc12 28950783 YFSYLICIZSSYBB-UHFFFAOYSA-N 351.435 2.989 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 13379880 ZBVQSGGQLPHKKZ-NVXWUHKLSA-N 356.374 2.879 0 1 FFAF biogenic CN1CCN(c2nc(SCc3ccccc3)nc3[nH]c(=N)sc23)CC1 1911575580 KASDKHRLLQYZNA-UHFFFAOYSA-N 372.523 2.543 0 1 FFAF Fc1ccc2c(c1)nc(N1CCN(Cc3ncc[nH]3)CC1)c1cccn12 45261462 GLAKGIIOQOOKAC-UHFFFAOYSA-N 350.401 2.672 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc(C(=O)O)c3)CC2)c1 198400179 OQIWEFKHEHXOJE-UHFFFAOYSA-N 370.478 2.916 0 1 FFAF O=C1O[C@H](O)C(c2ccc(C(=O)Nc3ccccc3)cc2)=C1Br 84688651 KASJRDOUXBGAAZ-INIZCTEOSA-N 374.190 2.920 0 1 FFAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3cccs3)ncnc21 82178692 PKHMQKLZMALWJF-UHFFFAOYSA-N 356.455 2.513 0 1 FFAF COc1ccc([C@@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 253918571 VPOACCMJRTVHJX-OWCLPIDISA-N 356.472 2.967 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCN(C[C@@H]4CCCO4)C[C@H]1C)[C@@H](C2)C3=O 587437618 KLOZAGCTECZCKQ-VZBFBVBPSA-N 357.450 2.702 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587769601 OLHNNWGKZYAZSZ-JEFLUPERSA-N 369.278 2.545 0 1 FFAF CN(c1ccc(-c2csc(-c3cccnc3N)n2)cc1)S(C)(=O)=O 587923699 FXESRURDJINETD-UHFFFAOYSA-N 360.464 2.850 0 1 FFAF O=C1O[C@H](CCc2ccccc2)C[C@H](O)[C@H]1[C@@H](O)C=Cc1ccccc1 2356379207 LOSIRASUEKGOFD-IVAOSVALSA-N 352.430 2.986 0 1 FFAF O=[N+]([O-])/C(CSCCCF)=C1\NCCN1Cc1ccc(Cl)nc1 103277195 CIIBGEWBKJMIBI-WYMLVPIESA-N 360.842 2.679 0 1 FFAF COc1cccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c1 28476900 ZCHBMWKSRBDSHQ-UHFFFAOYSA-N 356.403 2.705 0 1 FFAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@H](c1ccccc1)O3 28867326 PBRZNITWPNRFBK-GOSISDBHSA-N 365.433 2.903 0 1 FFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@H]1C(=O)c1ccccc1 110929159 YCEIAWVKMIIBCY-OALUTQOASA-N 371.396 2.628 0 1 FFAF NC(=O)c1ccsc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 64540348 XDLCCUYGHMTMBA-UHFFFAOYSA-N 372.372 2.580 0 1 FFAF NC(=O)[C@]1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 73222545 GTCOPJFZVPGUCA-IBGZPJMESA-N 374.824 2.816 0 1 FFAF COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 213990761 OMQBPULZTUQWCQ-UHFFFAOYSA-N 365.389 2.802 0 1 FFAF Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CC1CCNCC1 84669177 JSONRPFPVGYCOB-UHFFFAOYSA-N 359.437 2.623 0 1 FFAF Cn1c(-c2ccco2)nc2c(N)nc(NCCc3ccc(O)cc3)nc21 96907704 OWPXMWZRGCOTOF-UHFFFAOYSA-N 350.382 2.566 0 1 FFAF C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O)CC(=O)O 238782759 VRPNZVDXTVMWKI-GFLHVSQKSA-N 356.503 2.813 0 1 FFAF COc1ccc(CN2CN3Cc4ccc(C)cc4[C@@H]3CS2(=O)=O)cc1 96020133 KWQRZCITBFBKSS-IBGZPJMESA-N 358.463 2.663 0 3 FFAF C=CS(=O)(=O)N1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 618020177 BIIXFZZFWABEOP-UHFFFAOYSA-N 364.389 2.566 0 1 FFAF COc1cncc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587037128 DVHLKYOHQRSDIX-SECBINFHSA-N 370.438 2.714 0 1 FFAF COc1c(C)cc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587946457 ULVSYVQJRFPJME-UHFFFAOYSA-N 374.397 2.970 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(C)(OC)OC)CC2=O 587487411 VREARZVOKVKVRL-LJQANCHMSA-N 366.410 2.621 0 1 FFAF COC(=O)c1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cn1 587175416 RWSZKXXJQSBHMT-GFCCVEGCSA-N 353.357 2.607 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444172 YLWRQLNUYRSGTD-XCLFUZPHSA-N 360.406 2.750 0 1 FFAF Cc1nc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n(C)c1C 962647886 YUHFZKUMALDWNE-ZIAGYGMSSA-N 369.343 2.624 0 1 FFAF CCn1nc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962971295 HPZAMUJLEUDLGT-DOMZBBRYSA-N 355.772 2.831 0 1 FFAF O=C(Nc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 221770353 VYBQOLGEHYTVAA-UHFFFAOYSA-N 350.422 2.647 0 1 FFAF CCCn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(CCC)c1=O 12405376 HVKHTNALHRWGJB-UHFFFAOYSA-N 354.454 2.502 0 1 FFAF COc1ccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)nc1 13746117 WDLFLRDORRSKQU-RUZDIDTESA-N 356.451 2.650 0 1 FFAF COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1NC(C)=O 13746300 LLXROWVGGDCVCB-AREMUKBSSA-N 370.434 2.542 0 1 FFAF CN1CCN(c2cccc(NC(=O)n3sc4ccccc4c3=O)c2)CC1 169311123 NTFDHIOBCNIACN-UHFFFAOYSA-N 368.462 2.895 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccccn1 169351544 MHPAOLZAIKIOAG-LRBBYKIESA-N 371.433 2.666 0 1 FFAF O=C(O)CCc1ccccc1C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1c1nc(CO)co1 169367761 CVGQJRKPOPBTLN-DODZYUBVSA-N 357.406 2.688 0 1 FFAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cccnc4C)cccn3[nH]1)C2 1857637103 JQCHKNXBVKZMLH-MRXNPFEDSA-N 373.464 2.707 0 1 FFAF COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C 2481609 IBBLLPWOXOMSSW-QRVBRYPASA-N 351.406 2.504 0 1 FFAF C[C@H](CC(=O)NCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 6914189 CIAGEOQBTDXEJU-AWEZNQCLSA-N 371.462 2.932 0 1 FFAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1N 27763442 CXLNRNIUAAVHNB-UHFFFAOYSA-N 371.389 2.771 0 1 FFAF COc1cccc(N2CCN(C(=O)n3oc(=O)c(C(C)C)c3C)CC2)c1 26935984 LTAYABRJJNJIQM-UHFFFAOYSA-N 359.426 2.672 0 1 FFAF O=C(O)CCCc1nc2[nH]cnc2c2nc(-c3ccc(Cl)cc3)nn12 27210474 VNYSEWPMOHKCQD-UHFFFAOYSA-N 356.773 2.728 0 1 FFAF Cc1ncc(C)c(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)n1 23312381 NPLVATWDWRYKGA-MOPGFXCFSA-N 352.482 2.609 0 1 FFAF CC(=CCCC1=CC(=O)OC1)CCC=C(CO)CCC=C(CO)CO 2356527125 WVVUUOIVNGQOMB-UHFFFAOYSA-N 350.455 2.586 0 1 FFAF COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@@H](OC)C[C@@]321 14440741 FFMDTHAKJBYVEN-PCCBWWKXSA-N 373.449 2.525 0 1 FFAF biogenic CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1ccc(F)cc1 40980744 DWFFQVGJGIUTLH-ZDUSSCGKSA-N 364.377 2.614 0 1 FFAF CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 95555316 FKUXHLWBOQAISV-UHFFFAOYSA-N 358.511 2.862 0 1 FFAF COCCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C 95565194 MXSGHEIHQMGTMH-UHFFFAOYSA-N 353.825 2.798 0 1 FFAF COc1ccc([C@H](N)c2nc3ccc(-c4c[nH]nc4C)cc3c(=O)[nH]2)cc1 95585923 AATRABILWFVXRE-SFHVURJKSA-N 361.405 2.678 0 1 FFAF COC(=O)CCN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 473135714 SRTNBIMFQNCLAB-GOSISDBHSA-N 354.362 2.545 0 1 FFAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@@H](CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O 80052464 CFRJFTPTDARZKT-IWLLQYOYSA-N 362.466 2.999 0 1 FFAF biogenic C/C=C1\C(=O)OC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@@H]12)N3 299826756 NXYBVKLDFIIFTB-ZEAKKAQPSA-N 352.434 2.882 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccn2C)N1 587757391 VHZMFKPXIASSEC-JDNHERCYSA-N 367.218 2.789 0 1 FFAF Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587743647 FAQLICUFXWJJMV-WJWGPLDTSA-N 351.223 2.723 0 1 FFAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 587250225 QRBQCFJDVKMMAZ-UHFFFAOYSA-N 359.769 2.879 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)ncnc3[nH]2)C(F)(F)C1 587132040 HXYWZVPYGJTGRX-ZETCQYMHSA-N 359.764 2.976 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587829603 RIBLMGQTZHXXRB-ZOFMCDCHSA-N 366.230 2.914 0 1 FFAF COC(=O)Cc1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587783469 SAPCSNLYJOQJEV-UHFFFAOYSA-N 353.422 2.886 0 1 FFAF COc1ccc(OCCN(C)CCN(C)C(=O)c2ccc(OC)cc2)cc1 206982396 LGVIZVOTHRIWGT-UHFFFAOYSA-N 372.465 2.787 0 1 FFAF CC(C)n1ncc2c(O)nc([C@@H](C)N3CC(Oc4ccccc4)C3)nc21 1772645141 ACGQEEIBQUHXCU-CYBMUJFWSA-N 353.426 2.937 0 1 FFAF CN1CCC(C(=O)Nc2[nH]nc3nc(-c4ccc(O)cc4)ccc23)CC1 13538569 ZCMFNKZSIWNHEU-UHFFFAOYSA-N 351.410 2.611 0 1 FFAF COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 1857556139 GWNABLDNNOYTMC-YADHBBJMSA-N 368.477 2.974 0 1 FFAF CC1=C[C@@H]2C=C(C)[C@@H]3C[C@H](O)C[C@]3(O)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C 2356328685 YRFACIIPVMVLPW-QYJNHHJUSA-N 359.510 2.808 0 1 FFAF CCc1ccc(CCOc2ccc(C3=NO[C@H](C(=O)OC)C3)cc2)nc1 103272589 HPOBTQNDJBOVCB-IBGZPJMESA-N 354.406 2.932 0 1 FFAF NC(=O)[C@]12CC3C[C@@H](C1)[C@@H](N1CC[C@H](Cc4ccccc4)C1=O)[C@H](C3)C2 101073154 GRPWDRHUGPCUBI-RAAGIICWSA-N 352.478 2.758 0 1 FFAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2csc3ccccc23)CC1 61904804 KWZCIDPUIDOTKM-CQSZACIVSA-N 360.479 2.906 0 3 FFAF CNC[C@H](NC[C@@H](NCCCc1ccccc1)c1ccccc1)[C@H](C)O 22938886 VIADLGBDDZTQQQ-YUXAGFNASA-N 355.526 2.509 0 3 FFAF CC[C@H](CCc1ccc(F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27745054 HMDKKYXZPAZQII-APWZRJJASA-N 360.429 2.665 0 1 FFAF Nc1ccc(F)cc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2c1 212358956 FUAQWBHPSCJJJZ-UHFFFAOYSA-N 365.412 2.618 0 1 FFAF c1ccc2c(-n3nnc4c5sc(C6=NCCN6)nc5ccc43)ccnc2c1 45285043 DIOLXOMLCQFCDT-UHFFFAOYSA-N 371.429 2.928 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@@H]1CC[C@H](C2)N1 82154284 ICSWGEYUPVMDJL-DOMZBBRYSA-N 353.447 2.755 0 1 FFAF C[C@@H]1C[C@@H](O)/C=C/CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 139852359 JCDDKPVUVBDMHS-YYMQPOIQSA-N 368.813 2.899 0 1 FFAF C[C@]12C[C@@H](c3ccco3)OC(=O)[C@H]1C[C@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 238745882 CABGQYFITSLGGW-JBTQDCIGSA-N 358.390 2.534 0 1 FFAF NC(=O)c1c(F)ccc(OC[C@H]2COc3cc(Cl)ccc3O2)c1F 299827981 PPKOVYVRYAIJKH-VIFPVBQESA-N 355.724 2.936 0 1 FFAF CN(CCCC(=O)O)C(=O)[C@]1(C)CCN1C(=O)c1csc2ccccc12 299821260 CBQBMHIAYXMOHE-IBGZPJMESA-N 374.462 2.829 0 1 FFAF Nc1nc(O)c2nc(SCc3cccc(Br)c3)[nH]c2n1 653864066 QVTFUPIZGMDZHH-UHFFFAOYSA-N 352.217 2.696 0 1 FFAF NC(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008620 ZNCLKGFPDGRHJO-UHFFFAOYSA-N 356.183 2.739 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 587006708 ANGQKBSYPUPIBX-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 586882484 VOOMRLZOLCOVNZ-UHFFFAOYSA-N 373.210 2.996 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@]3(C2)N[C@H]2Cc4c3ccnc4C2=O)C1 963290134 UIJFIIJMKQLSGF-IWMITWMQSA-N 369.465 2.799 0 1 FFAF CCn1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962908264 UXYKAWFZNVJICT-SMDDNHRTSA-N 357.307 2.749 0 1 FFAF CN1CCc2c(Br)cccc2[C@]1(C)c1cc(C(=O)O)[nH]n1 963281261 QZVDRWWMMCKIGW-OAHLLOKOSA-N 350.216 2.622 0 1 FFAF CC1(C)Cc2c(sc(NC(=O)[C@@H](O)C(C)(C)C)c2C(N)=O)C(C)(C)O1 1772647446 KNTAYNIZCOGUCX-LLVKDONJSA-N 368.499 2.779 0 1 FFAF CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@@]2=O 5058634 JHGCWKMDDKATMP-AREMUKBSSA-N 370.474 2.823 0 3 FFAF CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)o1 12573805 RISZFJDJPHIZIO-GOSISDBHSA-N 367.493 2.703 0 1 FFAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3C)nn2c1O 15668913 QATVEXFZGQBWIK-UHFFFAOYSA-N 369.425 2.555 0 1 FFAF CC[C@@]12CCCN(C1)C(=O)C(=O)[C@H]1/C(=C(/C(=O)OC)C2)Nc2ccccc21 157192004 RPYIECDRRGSQMN-GHZVMUDCSA-N 368.433 2.614 0 1 FFAF COc1cc(Cc2nn(C)c(=O)cc2OCc2ccccc2)cc(OC)c1 1857631951 YTIJMZYHQYLLSZ-UHFFFAOYSA-N 366.417 2.967 0 1 FFAF C[C@]1(CO)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2)CO3)O1 2356397528 ONCSDMGQHWYRHA-VBKZILBWSA-N 354.358 2.613 0 1 FFAF CC[C@@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3occc32)c1=O 6807456 JVWMVJYGNULDOM-AWEZNQCLSA-N 356.426 2.904 0 3 FFAF O=C(C[C@@H]1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 29333562 TYBZEBVMVZUEQE-AWEZNQCLSA-N 369.808 2.859 0 1 FFAF COCC[C@@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13 100848955 DTJQBBHYRQYDEG-UJECILHKSA-N 368.477 2.882 0 1 FFAF CN(C)c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 28524937 IJYFQAUVWBRZIV-NHCUHLMSSA-N 364.493 2.583 0 1 FFAF CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@H]2C[C@H]([C@@H]13)[C@@]12C[C@H](OC)[C@H]3C[C@]41[C@H]2C3=O 2356520377 KTRDIFVAXQUGKI-YFXLMYAQSA-N 371.521 2.752 0 1 FFAF O=S1(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)CN1C1CCCC1 72138465 LLSPABOGCPADBS-FQEVSTJZSA-N 362.539 2.898 0 3 FFAF COc1ccc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1O 14760216 TUXIKUQNFFNQOA-HOTGVXAUSA-N 372.417 2.992 0 1 FFAF biogenic CCC[C@@H](O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1 40380385 GNNLSZAYUVLNTH-OAHLLOKOSA-N 374.441 2.543 0 1 FFAF COc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1N 84668910 RIZYTNBAKSEUHW-UHFFFAOYSA-N 370.409 2.679 0 1 FFAF O=C(NCc1cc[nH]n1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271357 MVNFJHOQHNNHJS-UHFFFAOYSA-N 356.407 2.564 0 1 FFAF Cc1cccc([C@H]2CCNC[C@@H]2Nc2ccc(C(N)=O)c3ncncc23)c1 143807236 YRFHMPCAMBSNJH-BEFAXECRSA-N 361.449 2.595 0 1 FFAF O=C(NC1CCCC1)c1ccc(CN2C(=O)N[C@H]3CCCC[C@@H]3C2=O)cc1 618016594 HFVWRRPRVNDREN-ROUUACIJSA-N 369.465 2.970 0 1 FFAF CC(=O)Nc1cc2c(cc1N1CCOCC1)/C(=C/c1ccco1)C(=O)N2 473104024 NYANPQVULZFARL-DHDCSXOGSA-N 353.378 2.567 0 1 FFAF Cc1cc(COc2cccc(S(C)(=O)=O)c2)nc(-c2ccccn2)n1 653779514 JEQCWLDWOMUSLS-UHFFFAOYSA-N 355.419 2.830 0 1 FFAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)n1 587080595 WXLXLXUJDSZTCJ-QMMMGPOBSA-N 353.835 2.698 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(Cn1nc(Cl)nc1Cl)[C@@H](C2)C3=O 587421963 OPHNIHMGMDQFNS-VFZGTOFNSA-N 354.193 2.800 0 1 FFAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 586936820 APUOIQAQYOATIP-LLVKDONJSA-N 361.471 2.633 0 1 FFAF COc1cc(Br)cc(C=O)c1OCc1nc2cnncc2[nH]1 586979879 FFEUSMSDNNNKBY-UHFFFAOYSA-N 363.171 2.516 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OCC(=O)O)[C@@H](C2)C3=O 587438215 DCBXCDUFSUUUJR-VBKZILBWSA-N 354.358 2.956 0 1 FFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1 586940571 AKTSEPINQMBICV-CMDGGOBGSA-N 356.451 2.973 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ncc(Br)cn1)[C@@H](C2)C3=O 587416467 BVHVCLZCMGGFBD-ZBEGNZNMSA-N 361.195 2.911 0 1 FFAF C[C@]1(c2csnn2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698858 CZFPGWHTXGEBDH-MFKMUULPSA-N 361.320 2.558 0 1 FFAF C[C@H]1[C@H](C)CC(=O)[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694734 HQMYYQKFAQIOPW-YIHVJPJNSA-N 359.319 2.884 0 1 FFAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CC[C@H](C(C)(C)O)O[C@H]1C2 1772589000 TUOSTKQJYCNPMD-SIFCLUCFSA-N 364.438 2.949 0 1 FFAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12314060 IPAZGPCSRPTIRL-KRWDZBQOSA-N 363.417 2.703 0 3 FFAF O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3ccccc34)C(=O)N12 13586478 ZQZVENIYZGCSFN-VYLZPFMQSA-N 355.400 2.774 0 1 FFAF CN1CCN(c2ccc(NC(=O)n3sc4ccccc4c3=O)cc2)CC1 169311124 NIUOGTJWGTVIAX-UHFFFAOYSA-N 368.462 2.895 0 1 FFAF O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2o1 1652410 JEYKIGWMSHNTBA-UHFFFAOYSA-N 353.447 2.813 0 1 FFAF Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)no1 3814636 JVFRGAMMYBLUIA-UHFFFAOYSA-N 372.328 2.502 0 1 FFAF CCOC(=O)c1c(NC(=O)N(CC)CC)sc2c1CCN(C(C)=O)C2 3964029 RSOBKICBZQAOTG-UHFFFAOYSA-N 367.471 2.703 0 1 FFAF COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 4169748 PCMIHVHYLHCSMN-QABNGEJJSA-N 366.417 2.981 0 1 FFAF O=S1(=O)N[C@@H](c2ccccc2)COc2cc(Br)ccc21 61924265 OQQGXLDZOXINEZ-GFCCVEGCSA-N 354.225 2.861 0 3 FFAF CC(C)(Oc1ccccc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2 28882008 WLCAEXHUFPSPGJ-QYGWLETQSA-N 356.466 2.640 0 1 FFAF Cc1cc(=O)n2nc(COc3cccc(Br)c3)sc2n1 66259615 IRUPTZNZPHHAAH-UHFFFAOYSA-N 352.213 2.801 0 1 FFAF COc1ccc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc1OC 66078636 HYEGWFWKMIESPG-XNTDXEJSSA-N 362.403 2.733 0 1 FFAF CCOC(OCC)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 64512091 NUIBQYHQYLVWKR-ZDUSSCGKSA-N 355.442 2.546 0 1 FFAF CN(CCCNCc1ccc(F)c(F)c1)c1nc(-n2ccnc2)ns1 35966696 RYKMTOYFGWGGEU-UHFFFAOYSA-N 364.425 2.618 0 1 FFAF Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1cccnc1 40410979 LRLHLXDVRYJHTQ-UHFFFAOYSA-N 351.362 2.772 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@H](C4)[C@H]3[C@H]1C 195265873 ILXJSQQEACLYCI-HDYCJTEISA-N 353.462 2.903 0 1 FFAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141869 BKMHTNFIQXIDKD-HOCLYGCPSA-N 370.453 2.882 0 1 FFAF CN1[C@@H](Cc2ccccc2)COc2cc(N3CCCC3)ccc2S1(=O)=O 96020514 ILWPKWRSQIYPHC-SFHVURJKSA-N 372.490 2.911 0 3 FFAF COC(=O)[C@@]12C[C@@H](O)CC[C@H]1CN1CCc3c([nH]c4ccccc34)[C@@H]1C2 95098756 DJYUVQHOELNJST-RTXMHDOLSA-N 354.450 2.791 0 1 FFAF biogenic,in-vitro O=S1(=O)N=C(NCC23CC4CC(CC(C4)C2)C3)O[C@H]2CCCC[C@H]21 96273943 KPOACTOWCJUFIN-YRCZHWOXSA-N 352.500 2.820 0 1 FFAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1 587019274 KRVSOHWBNSOBNS-UHFFFAOYSA-N 367.394 2.750 0 1 FFAF O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C2)Oc2c1ccc1c2CCCC1 587526088 PORGPYXYGZFHOE-UYELDUJUSA-N 355.434 2.742 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CO)c2ccccc21 587489934 XDLZKOUVBZEDDW-FQEVSTJZSA-N 353.374 2.502 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3ccc(NC(=O)OC)nc3)[nH]c2c1 587245124 OGKSAEXLDIEGQO-UHFFFAOYSA-N 360.395 2.597 0 1 FFAF OCCc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087276 NSBWPXDGYRWFBP-UHFFFAOYSA-N 352.001 2.967 0 1 FFAF COc1cc(OCC(=O)O)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398878 GAURLYQVGLBFGX-QGZVFWFLSA-N 357.362 2.756 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)([C@@H](N=O)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587426940 BJTNXUUAFGPMOW-ADLFWFRXSA-N 366.373 2.975 0 1 FFAF COc1ccc2[nH]c(C(=O)O)c([C@H]3NCCc4c3c(C(C)C)nn4C)c2c1 962918308 NYXWBGRHKNKPHZ-GOSISDBHSA-N 368.437 2.967 0 1 FFAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225330 DCOOMIGNDNLXKM-FXAWDEMLSA-N 356.422 2.638 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(Cc1ccccc1F)C(=O)O 963605723 HEVLDXDEAROVFF-FKIZINRSSA-N 359.397 2.900 0 1 FFAF C[C@]1([C@@]2(C)CCCO2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636113 OZWWTKDOFMGPHV-LYRGGWFBSA-N 359.344 2.968 0 1 FFAF CN[C@@H](C(=O)N[C@@H](COC(=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C 2356326374 WHLPINMHMWSWLW-VQIMIIECSA-N 373.497 2.638 0 1 FFAF COc1cc2c(cc1OCc1ccccc1)NC(=O)[C@@H]1CCCN1C2=O 3597069 XMSFBYAKGKJGAQ-INIZCTEOSA-N 352.390 2.831 0 1 FFAF O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1 4004262 UZZYYMHKNLWPCV-UHFFFAOYSA-N 371.780 2.520 0 3 FFAF aggregator CS(=O)(=O)Nc1cccc(-c2cncnc2NCc2cccnc2)c1 4257411 XBJHTHCTQXFDRM-UHFFFAOYSA-N 355.423 2.522 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(C(F)(F)F)n2C)[C@@H]1C 6949363 FMQMXAVVJOLGSI-IVZWLZJFSA-N 350.410 2.867 0 1 FFAF O=C1NC2(CCN(C(=O)c3ccccc3Cl)CC2)N=C1c1ccccc1 20556371 GQOXLGBMHYIIPI-UHFFFAOYSA-N 367.836 2.891 0 1 FFAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 100458928 YAIXJKZQJNOCPD-PFRQMTDMSA-N 374.868 2.538 0 1 FFAF N[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 25974727 KSSXHMSFRDUHHN-QHCPKHFHSA-N 353.787 2.971 0 1 FFAF CCOc1cc2c(cc1OC)[C@@H]1C[C@]3(CNC(=O)O3)[C@@H](CC)CN1CC2 29219643 GDVCOTPJXHOUPK-UVFQYZLESA-N 360.454 2.902 0 1 FFAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 36384268 KPJFSNBEAAOVLH-DZGCQCFKSA-N 359.426 2.671 0 3 FFAF COc1cc([C@@H]2Oc3c(OC)cc(C(C)=O)cc3[C@@H]2CO)cc(OC)c1O 13305878 UKUDCHLJBHCTLX-LIRRHRJNSA-N 374.389 2.830 0 1 FFAF biogenic CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(CCSCC)c1=O 45354876 BASKCCIVVIPKRU-UHFFFAOYSA-N 372.494 2.727 0 1 FFAF COCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)OC)[C@H]1C 195349232 RSVJFSYTDHCFMC-LERXQTSPSA-N 374.359 2.596 0 1 FFAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 40421542 OEIFMPRLVYLLFL-GOSISDBHSA-N 367.357 2.801 0 1 FFAF N[C@@H](CCc1cccnc1)[P@@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 98208400 LWRKOPLMYMXZKW-IAGOWNOFSA-N 362.366 2.513 0 1 FFAF in-vitro CCOC(=O)[C@H](C)Nc1nc(N)nc(OCC2CCCCC2)c1N=O 95558804 QWDHFERTMFTJBJ-JTQLQIEISA-N 351.407 2.779 0 1 FFAF C=CS(=O)(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 618020244 QNJGUZZQFGUZPE-GFCCVEGCSA-N 359.289 2.601 0 1 FFAF COc1cc2ncnc(-n3[nH]c(C4CCCCC4)nc3=N)c2cc1OC 653784957 GRCBGLUHDWRHOE-UHFFFAOYSA-N 354.414 2.688 0 1 FFAF COC(=O)c1cccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 587245958 BLJBMFNOWAHWGN-FQEVSTJZSA-N 351.406 2.701 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 586912273 BNSXNXFASVLQCD-ZDUSSCGKSA-N 369.215 2.572 0 1 FFAF COC(=O)c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cn1 587091806 OZSJVCZLEBOUQN-UHFFFAOYSA-N 352.272 2.748 0 1 FFAF CCCS(=O)(=O)N1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 586953267 SDWIFHKJTIBDIC-UHFFFAOYSA-N 356.879 2.839 0 1 FFAF COc1cc(/C=C2\C(=O)OC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 14760319 RJVKWKAOIHNOQD-QVTJDRNWSA-N 356.374 2.914 0 1 FFAF CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=N)cc1 1857772954 SQVYSSVVMJRWDO-UHFFFAOYSA-N 369.812 2.852 0 1 FFAF Cc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 905070 YLBATCCHYQJXGN-UHFFFAOYSA-N 372.454 2.763 0 3 FFAF COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(OC)nc32)c1 4239130 GRSZGKWAPTURHP-UHFFFAOYSA-N 374.400 2.919 0 1 FFAF COc1cc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(OC)c1 4924506 GITDRNWKAMGZSM-HNNXBMFYSA-N 354.406 2.658 0 3 FFAF Oc1cc2c(cc1[C@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 100827476 KQRXQIPRDKVZPW-YGSBFXFZSA-N 370.357 2.925 0 1 FFAF endogenous,in-man Nc1ccc(S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1 28335599 JLVDTOZAZCMIKY-UHFFFAOYSA-N 367.474 2.664 0 1 FFAF COc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28455643 QMDNVVIVCHVJDP-QGZVFWFLSA-N 368.433 2.818 0 1 FFAF CC(C)[C@@]12C=C[C@@](C)(O)CCC(=O)[C@](C)(O)CCC=C(CC1)C(=O)O2 2356798830 SWVXEUGODIFBMQ-ZCNNSNEGSA-N 350.455 2.846 0 1 FFAF c1ccc(CCCN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OCc2ccccc2)cc1 2356821382 GACJMTBHCAXEIS-YUMYIRISSA-N 353.462 2.960 0 1 FFAF CN(C)CCCNC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 31848065 GMDOQXZCBVEFMS-UHFFFAOYSA-N 361.449 2.806 0 1 FFAF CC(C)NC(=O)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1 74379750 PLGOLCKOWKMBQF-UHFFFAOYSA-N 362.430 2.863 0 3 FFAF CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N 71280936 WFCALMPXVKUYLO-UHFFFAOYSA-N 352.394 2.646 0 1 FFAF CC1(C)NC(=N)NC(=N)N1OCCOc1ccc(Cc2ccccc2)cc1 45303063 MFRFQIMDEMISSI-UHFFFAOYSA-N 367.453 2.688 0 1 FFAF Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccn1 40934245 FJZHFJAPYBKZDN-UHFFFAOYSA-N 351.362 2.772 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@H]1CCCNC1 40896783 GJKQWBXWRRIYFO-LBPRGKRZSA-N 358.467 2.635 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253693091 YERVYLQWQFZZOC-XUANHBLGSA-N 351.446 2.569 0 1 FFAF C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1cccnn1 473154938 NEIWTLNQTVXJFF-SECBINFHSA-N 363.757 2.653 0 1 FFAF COC(=O)c1cnc(NC(=O)CN2CCC(Cc3ccccc3)CC2)s1 653859627 ZGSIBMJBURHZAR-UHFFFAOYSA-N 373.478 2.823 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)CC(NNc1ccc(Cl)cc1)=CC3 587368899 RHIVIDFCEPNYSZ-UHFFFAOYSA-N 355.785 2.689 0 1 FFAF COC(=O)c1cc2nc(-c3cc(Br)cnc3F)[nH]c2cn1 587177977 KBYFCQNRULBTFD-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 587558861 UTONZLAPNINHAA-RDJZCZTQSA-N 362.433 2.988 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1Cl 587065671 XDFYHVZDWNUQIF-UHFFFAOYSA-N 360.849 2.757 0 1 FFAF O=C(NCc1nc2c(Cl)ncnc2[nH]1)c1cccc(C(F)(F)F)c1 587113031 XRPMMJRXENFLSD-UHFFFAOYSA-N 355.707 2.955 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)O)c2[nH]1 587194607 WFURUCGIGSEXPN-CYBMUJFWSA-N 362.430 2.779 0 1 FFAF CCOC(=O)c1cccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963018708 DSRJEGQWDBQQTL-LRTDBIEQSA-N 365.433 2.575 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=C(C)N=C3N=NNN3C1)N(C)[C@H](C)C2 962616588 AGSGXQLRUKDURV-WYRIXSBYSA-N 370.457 2.626 0 1 FFAF O=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 1772571304 MCPSOYDCAJTMEL-UHFFFAOYSA-N 362.345 2.652 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1 13153506 FDKJSJGIAQCACZ-SURNBVHFSA-N 365.429 2.652 0 1 FFAF CNC(=O)c1cc2c(Oc3ccc(C4=NCCN4)cc3)cncc2s1 13864419 WABJPWSEHJYYAY-UHFFFAOYSA-N 352.419 2.798 0 1 FFAF COC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)c1ccc(O)cc1)C2 14946230 SXMHDYRUGCLEBU-UHFFFAOYSA-N 364.401 2.718 0 1 FFAF COc1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(C)c(=O)n32)cc1 169717806 XOPAODYMIVJJNI-IBGZPJMESA-N 361.401 2.924 0 1 FFAF C/C(=C/Cc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2=O)CO 209829160 VPCRIHAWNUNORJ-CACVRSSGSA-N 356.374 2.643 0 1 FFAF CCCc1nc(NC[C@@H]2CCCO2)c2nnn(Cc3ccccc3)c2n1 4966713 PMBJIUGNDMKQCA-HNNXBMFYSA-N 352.442 2.813 0 3 FFAF COc1cc(O[C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)ccc1O 6453816 OJVGWDJIYBTWDS-UYVJDWJCSA-N 372.373 2.869 0 1 FFAF in-man Cc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2CCCN(C)C 28098566 QQLQFAYJAYQDHF-UHFFFAOYSA-N 359.905 2.991 0 1 FFAF COc1cc2c(cc1O)[C@H]1C(=O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 2356441804 FTUQYTBHWUCZQR-SJLPKXTDSA-N 353.374 2.639 0 1 FFAF Cn1cc(CCO)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 35906657 WHMQZCPGFZBLBG-UHFFFAOYSA-N 354.793 2.917 0 1 FFAF in-vivo Nc1ccc(F)cc1NC(=O)c1ccc2nc(N3CCNCC3)ccc2c1 212359055 VNNCASPPZKCWHC-UHFFFAOYSA-N 365.412 2.618 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(CCC(=O)O)cc3[C@@H]2CO)ccc1O 15169072 TZAVPCIAHLZJPJ-IFXJQAMLSA-N 374.389 2.636 0 1 FFAF biogenic COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)ccc1O 238756896 XRKOYXZGQNBIRK-JKSUJKDBSA-N 370.401 2.746 0 1 FFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]([C@@H](O)CO)CC[C@H]12 255244685 NGYONPIMXAHRCT-CZCBJOEKSA-N 350.499 2.538 0 1 FFAF O=c1c2cc3c(cc2ncn1Cc1ccc(Br)cc1)OCCO3 653709690 JGAXIMOBCWYLIW-UHFFFAOYSA-N 373.206 2.979 0 1 FFAF CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1 653768399 BUASTGDZJIEJAC-UHFFFAOYSA-N 363.381 2.852 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(O)O)N1 587845808 FUYHAYPBBZITRS-GLEZIHRCSA-N 372.259 2.738 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587041850 GUIGGUNQCSUMET-ZDUSSCGKSA-N 367.496 2.587 0 1 FFAF CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 5101554 GKOGUFUDKOZXQH-DLBZAZTESA-N 352.390 2.553 0 3 FFAF COC(=O)[C@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3CC2=CC[C@H]1O 14967228 YNBUWOBJOATOHI-LULLPPNCSA-N 352.434 2.567 0 1 FFAF biogenic O=C1Nc2cc(F)ccc2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857581330 HICLWTCVFGPCRU-UHFFFAOYSA-N 368.412 2.690 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cc3ccccc3oc2=O)[C@@H]1C 3254699 WSVVUIVVZULWBQ-WOSRLPQWSA-N 357.406 2.891 0 1 FFAF COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2cc(Cl)ccc2OC1 1911570643 PZLIPWDZKHAOJV-ZDUSSCGKSA-N 371.172 2.681 0 1 FFAF COc1cc(C(=N)N)ccc1-c1cc(-c2cc(C(=N)N)ccc2OC)on1 103235036 NEVGMIALJBXDPJ-UHFFFAOYSA-N 365.393 2.594 0 1 FFAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC 104059998 OJYPPXSTOWDETN-UYTDBDHRSA-N 373.413 2.972 0 1 FFAF COCCN1CCN(C(=O)[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231674 SBXQDZDRUHOSGN-LJQANCHMSA-N 373.884 2.658 0 1 FFAF COCCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 27864592 GCXCEWJKLYAXON-UHFFFAOYSA-N 363.845 2.548 0 1 FFAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H](O)CNC3CC3)ccc12 29559894 BJVQYTSXCQHYPT-INIZCTEOSA-N 351.402 2.952 0 1 FFAF CC[C@H](C)C(=O)OCc1ccccc1CCC(=O)C[C@@H](O)CC(=O)O 26165136 GQDBBROKVSIBNZ-SUMWQHHRSA-N 350.411 2.503 0 1 FFAF COc1cc(CCCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2CO 15169052 DCZADIFTWXUYRT-BEFAXECRSA-N 358.390 2.558 0 1 FFAF biogenic O=C(NCC1CCOCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 215559263 BIMFLDLUJSAALT-JSGCOSHPSA-N 373.403 2.967 0 1 FFAF COc1cc(O)c2c(c1)O[C@H]1COc3cc(OC)c(OC)cc3[C@@H]1C2=O 14610805 BCRQIJDETOPQBA-IRXDYDNUSA-N 358.346 2.538 0 1 FFAF biogenic CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2c(ccc3occc32)c1=O 71332296 VSMHHFILGGWROI-HNNXBMFYSA-N 368.345 2.730 0 1 FFAF C[C@@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@H](C)C1 84671073 IPXVKACPVICYDY-NJURLYQPSA-N 372.469 2.663 0 1 FFAF CNc1nc2sc(C(=O)NCc3cccs3)nc2c2c1ncn2C 40423409 LLZMPAOVEQJHBL-UHFFFAOYSA-N 358.452 2.611 0 1 FFAF O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 95794703 HMQRAVVURDTGQR-SFTDATJTSA-N 362.473 2.752 0 1 FFAF CCc1c(C(=O)OC)c(C=O)c2n(c1=O)CCc1c-2[nH]c2ccccc12 238755868 MWOVKITXUNUTME-UHFFFAOYSA-N 350.374 2.714 0 1 FFAF C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NC(C)(C)CO 653725546 GBVNBSORGOMGLF-KDOFPFPSSA-N 352.434 2.832 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586931568 FUFNCXJMDIKGKX-UHFFFAOYSA-N 359.451 2.576 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587043282 YOPNTKVLLPGETG-ZIAGYGMSSA-N 354.435 2.691 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795355 IOMMLQHKPRRVQE-XXFAHNHDSA-N 372.234 2.860 0 1 FFAF O=C(O)c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587945690 MKPPTRFGORMZEK-UHFFFAOYSA-N 367.720 2.612 0 1 FFAF CC[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581477 LICLKWNGZNWJPK-VQIMIIECSA-N 351.362 2.794 0 1 FFAF CC(=O)OCC[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962638729 MHXNBRZFJWNLKF-VQTJNVASSA-N 356.422 2.502 0 1 FFAF CCn1nc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962971298 HPZAMUJLEUDLGT-SWLSCSKDSA-N 355.772 2.831 0 1 FFAF O=C1COc2ccccc2N1Cc1cn(CCc2c[nH]c3ccccc23)nn1 1772637140 YRHXHGJNXNQZCC-UHFFFAOYSA-N 373.416 2.928 0 1 FFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Nc2ccccc2)nc1 1772627855 NJCPICUOCZRASK-UHFFFAOYSA-N 357.439 2.976 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 13153447 YKLKQIKUUSJQGC-HRVGUFCPSA-N 365.429 2.652 0 1 FFAF CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 13444682 YYEJTQDGUKFSBP-UHFFFAOYSA-N 360.454 2.822 0 1 FFAF CC1CCN(C(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)CC1 17209112 CWFMAPANOQFXCO-UHFFFAOYSA-N 350.366 2.534 0 3 FFAF CC1=C2CC[C@@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 207616604 HWHKBVPFJUPSOY-YQZSFSJRSA-N 350.455 2.558 0 1 FFAF COC(=O)c1ccc(NC(=O)c2cc3c(cc2Br)OCO3)o1 1863636 PVOJIKDBPUNREY-UHFFFAOYSA-N 368.139 2.810 0 1 FFAF Cc1ccc2c(c1)nc1n2[C@H](CNS(=O)(=O)Cc2ccccc2)COC1 2356314050 AHVFFYUXXBLTGU-MRXNPFEDSA-N 371.462 2.536 0 1 FFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCCCC2)n1 2356289339 UBSOOAQPILZKKD-MTQWCTHYSA-N 361.530 2.670 0 1 FFAF CC1=CCC[C@](C)(O)[C@H](O)CC[C@@](C)(O)C=C2OC(=O)C(C)=C2CC1 2356450632 CJOCJMYRALTVRM-RLLQIKCJSA-N 350.455 2.907 0 1 FFAF CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O 101705126 NFILOZULWSDTDL-UHFFFAOYSA-N 356.353 2.546 0 1 FFAF CN1CCN([C@H](CNC(=O)CCc2ccccc2)c2ccsc2)CC1 22765528 NLBXJJWETRTELO-LJQANCHMSA-N 357.523 2.786 0 1 FFAF Cc1ccccc1NC(=S)OCCNC(=O)c1ccccc1C(=O)O 28521551 XIUMQJYWQFGDDF-UHFFFAOYSA-N 358.419 2.837 0 1 FFAF CC(C)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 28566704 KPIJYGLUQUEOCQ-DENIHFKCSA-N 371.525 2.745 0 1 FFAF O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 45505701 WXNATCXWMXDARJ-UHFFFAOYSA-N 351.356 2.947 0 1 FFAF CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(CC4CC4)CC3)cc2)C1 40917468 ZGDPCQCVIIFZLB-IBGZPJMESA-N 357.454 2.599 0 1 FFAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2c1ccc[n+]2[O-] 146667071 FVDCBANBKAFYKL-GFCCVEGCSA-N 372.730 2.785 0 1 FFAF N=C(N)c1ccc(-c2cncc(-c3ccc(C(=N)N)cc3F)n2)c(F)c1 96938470 JLHCVFVXOYRVEU-UHFFFAOYSA-N 352.348 2.657 0 1 FFAF Cc1ncc(-n2c(O)cc(-c3ccc(N)cc3)c2O)nc1Br 587941474 PDLILPMQRPWBEM-UHFFFAOYSA-N 361.199 2.999 0 1 FFAF Cc1ccc(-n2cnnc2SCc2nc3cnnc(O)c3[nH]2)cc1Cl 586968543 UBBFSFUVYDRFSY-UHFFFAOYSA-N 373.829 2.893 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(O)O 587614715 SUTMMXZQFHDXKY-KXBFYZLASA-N 370.382 2.622 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(CCOCC3CC3)[nH]c2c1 587783129 GLNFDVRXPANWIZ-UHFFFAOYSA-N 351.472 2.563 0 1 FFAF O=Cc1cc(Br)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586981790 FCMOTEGCPHUCCI-UHFFFAOYSA-N 369.182 2.781 0 1 FFAF CCOC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800435 WZHSFVNRVGPLIE-QLJPJBMISA-N 374.250 2.917 0 1 FFAF CN1CCN(c2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)CC1 587154003 ITXYVRGSJKNSRL-IERDGZPVSA-N 365.456 2.795 0 1 FFAF O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]32 587602926 JWWPRJAOURXGOE-RUBRERKMSA-N 364.353 2.689 0 1 FFAF COCCOc1ccccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962926357 NULGJYATTGEKMW-HXUWFJFHSA-N 354.450 2.649 0 1 FFAF Cn1ncc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C1CC1 962981691 VPZXLXNFUVZKQQ-WFASDCNBSA-N 367.783 2.917 0 1 FFAF CCOC(=O)CN1C(=O)S/C(=C/c2ccc3cc(F)ccc3n2)C1=O 1772600045 HQQCYMXHMGGKBB-RIYZIHGNSA-N 360.366 2.973 0 1 FFAF Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccccc3)c2)c2cncnc21 169707730 QTKMWXFCMZPOFB-UHFFFAOYSA-N 371.400 2.776 0 1 FFAF O=C(CCSc1nc2cc(N3CCOCC3)ccc2o1)N1CCCC1 1857620486 CXFUJCLJDDFZMD-UHFFFAOYSA-N 361.467 2.769 0 1 FFAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)[C@H](CO)OC2=O)cc1 1857773840 LCMPXRZYTONWNC-KRWDZBQOSA-N 356.374 2.541 0 1 FFAF CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 4164073 ZPZXBSYRQXXUMN-AYOQOUSVSA-N 369.465 2.932 0 1 FFAF CC(C)CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100643165 QSPUODWHQMJTCS-CYJAXWMASA-N 361.463 2.619 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)n1 2356448961 WAEYMSWTBITFIM-WMLDXEAASA-N 357.385 2.971 0 1 FFAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 84671607 LCGXICSOUUGKKL-QGZVFWFLSA-N 359.447 2.727 0 1 FFAF C[C@H]1c2[nH]c3ccc(Br)cc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95591184 VRISHWQRRVQFGV-JVXZTZIISA-N 364.268 2.975 0 1 FFAF CCCCCn1c(-c2ccccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95589545 FEUROIAPXOHARH-UHFFFAOYSA-N 365.437 2.842 0 1 FFAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)C[C@@H](O)C[C@]21C 85844018 UONMWBMUAZUNTE-RSULWSAWSA-N 350.411 2.733 0 1 FFAF biogenic C[C@]1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1 299850799 PGEYXEWWULQRQB-HXUWFJFHSA-N 360.454 2.974 0 1 FFAF C[C@H](CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC(=O)O 587963183 PRFKJLKYJKETDZ-MRVPVSSYSA-N 364.345 2.900 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1NC(=O)c3ccccc3N1)CC2=O 587484917 OSBNZXQTQSVJGO-HKUYNNGSSA-N 352.390 2.860 0 1 FFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 587788072 ZVOPAHLMVNMFDG-GJZGRUSLSA-N 370.430 2.910 0 1 FFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519244 WVTQMVZJIYPUCM-JUQCQNSJSA-N 369.461 2.925 0 1 FFAF CN(C)C(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587164207 ZVCPHSDSQJHSHB-UHFFFAOYSA-N 354.385 2.975 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 586939471 PKSJWOCHBZQQJD-NSHDSACASA-N 360.439 2.710 0 1 FFAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 587076346 QIZZDNXHGCVEIR-UHFFFAOYSA-N 354.757 2.646 0 1 FFAF Nc1ccnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019146 IPVLAKVDWOVOAT-UHFFFAOYSA-N 356.436 2.901 0 1 FFAF CC1(C)OC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618925 VNRWAVDFVQBYBG-YWZLYKJASA-N 368.341 2.870 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4c(c1)OCCO4)[C@@H](C2)C3=O 587454084 RNEXFWUXZVJQMY-DJJJIMSYSA-N 354.358 2.964 0 1 FFAF Cc1nn(C)c(N)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757583 OVZWQXGYZZEPRN-WJWGPLDTSA-N 353.239 2.836 0 1 FFAF CC(=O)N1CCc2sc([C@@H]3NCCc4c(C(=O)O)cccc43)cc2C1 963129515 GBYHHIPCEKHPPU-GOSISDBHSA-N 356.447 2.586 0 1 FFAF Cc1cc2c(cc1O)[C@@](C)(CCc1ccc(O)c(F)c1)N[C@H](C(=O)O)C2 963510984 RLSDRWTYPDLCDG-OXJNMPFZSA-N 359.397 2.992 0 1 FFAF COc1cc2c(cc1OC)[C@@](CS(C)(=O)=O)(C(C)(C)C)N(C)[C@H](C)C2 962636084 VTRNHNPTRHYYGF-YJYMSZOUSA-N 369.527 2.866 0 1 FFAF O=C(c1cccn2ccnc12)N1CCN(CCc2ccccc2Cl)CC1 139345995 DPMWZOFTOGCSCJ-UHFFFAOYSA-N 368.868 2.988 0 1 FFAF O=C1CSCN1CCCCN1CCN(c2cccc(Cl)c2)CC1 13759363 GLXMUWITVSVHQW-UHFFFAOYSA-N 353.919 2.775 0 1 FFAF COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1ccccc1 3589012 XQJJLJLOUMYMST-SUMWQHHRSA-N 353.374 2.686 0 1 FFAF COCC(=O)N1CCC2(CC1)CCN(C(=O)Nc1cccc(F)c1)CC2 3956270 UKRKVOSVJXNHFA-UHFFFAOYSA-N 363.433 2.709 0 1 FFAF COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 4967781 NMBLMWDVHWISJI-GOSISDBHSA-N 368.481 2.677 0 3 FFAF CN1CCOc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc21 6781534 KJWLXDDHDYQNBB-UHFFFAOYSA-N 366.870 2.690 0 3 FFAF O=c1[nH]c(-c2cccc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2)nc2c1CCCC2 102567059 BCPPJQADVIPYCL-PIIMJCKOSA-N 365.477 2.803 0 1 FFAF CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103215074 YFTUQUCGVBYSGB-FZMZJTMJSA-N 354.838 2.995 0 1 FFAF CNC(=O)[C@H]1CCC[C@@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132501 FMHSEGKHJWNGGA-GJZGRUSLSA-N 350.426 2.526 0 1 FFAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1cc[n+]([O-])cc1 66128910 GFANBSPWJDYWKJ-HXUWFJFHSA-N 366.804 2.823 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(OCCn2cnc3ccccc32)cc1 27559475 RORZNHPFFOHRHS-KRWDZBQOSA-N 369.465 2.853 0 1 FFAF CCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(Br)c1OC 28260528 SCMOLCMJRRMFEV-NSHDSACASA-N 371.275 2.768 0 1 FFAF COc1ccc2occ([C@H](CC(=O)O)[C@@H]3N(C)C(C)=C(C)N3O)c(=O)c2c1 2356817315 DJRQHIBPDZMJRN-ORAYPTAESA-N 374.393 2.574 0 1 FFAF O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC(F)(F)CNC3=O 73169966 NWFVQQZCPWUVCO-UHFFFAOYSA-N 356.332 2.667 0 1 FFAF O=C(O)c1cccc2c1C(=O)c1cc(Br)ccc1S2(=O)=O 36388408 FXLLFVQYXYPSMQ-UHFFFAOYSA-N 367.176 2.525 0 3 FFAF CCC(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185239 HWKHZMWGYIJYGR-LJQANCHMSA-N 360.408 2.835 0 1 FFAF COc1ccc2c(c1O)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 14442101 LWPLPJQNBQQUKR-MJGOQNOKSA-N 369.373 2.570 0 1 FFAF biogenic CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccs1 250620915 PEKCMECYPPYYMG-JEBQAFNWSA-N 370.474 2.954 0 1 FFAF CCOC(=O)[C@@](O)(c1ccc(N=c2ccccn2C)cc1)C(F)(F)F 263591966 ZMIOOEURGBTSBE-INIZCTEOSA-N 354.328 2.571 0 3 FFAF Cc1nnc(Sc2cc(C(=O)NCCN(C)C)c3ccccc3n2)s1 618007516 UUICWWXLNNLRHI-UHFFFAOYSA-N 373.507 2.837 0 1 FFAF FC(F)(F)c1ccn(CCc2nc3nc(Br)c[nH]c-3n2)n1 587117600 FCAZNNBIAHJHBC-UHFFFAOYSA-N 361.125 2.525 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C)c(=O)c2)N1 587774176 NGVPASLXVDJMDR-FVMDXXJSSA-N 351.219 2.911 0 1 FFAF CCc1cc2c(O)nc(O)nc2nc1-c1cn(CC(=O)O)c2ccccc12 587557531 JKHNNWWOAPNBPC-UHFFFAOYSA-N 364.361 2.705 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NS(C)(=O)=O)c1)O2 587408375 FWKJXLCAGHHEHB-SFHVURJKSA-N 360.435 2.829 0 1 FFAF Oc1ncnc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183584 FCHHCDRYDYYFER-PLNGDYQASA-N 364.146 2.834 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(C)ccn1)[C@@H](C2)C3=O 587433496 RIFCUFMPDDFPQF-XOBRGWDASA-N 352.390 2.934 0 1 FFAF NS(=O)(=O)c1ccc(-c2nc3scc(-c4ccc(F)cc4)n3n2)cc1 1772589156 JZHRRJZFYZXVCN-UHFFFAOYSA-N 374.422 2.911 0 1 FFAF C[C@H](F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@H]3C)n1 1772613059 UECKJWCZXJBAJH-UWVGGRQHSA-N 374.351 2.715 0 1 FFAF CC(=O)NCCC1CCN(c2nncc(-c3ccc(Cl)cc3)n2)CC1 12005457 YFUAZUCFOALKCG-UHFFFAOYSA-N 359.861 2.935 0 1 FFAF Cc1cc(O)cc(O)c1C(=O)c1c(O)cccc1Cc1cc(O)cc(=O)o1 13334577 ZWSSQWDRDJCCKW-UHFFFAOYSA-N 368.341 2.592 0 1 FFAF biogenic O=C(Cc1ccccc1)NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 2356302444 VPCFTQDERPVWOY-GOSISDBHSA-N 365.408 2.947 0 1 FFAF N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 28891639 VVJKDHDXWRSOBK-GOSISDBHSA-N 369.856 2.565 0 1 FFAF Cc1nc2c(C(=O)NCCC(C)C)c[nH]n2c(=O)c1Cc1ccccc1F 103866305 GODAWFBSXWZMCH-UHFFFAOYSA-N 370.428 2.837 0 3 FFAF CC(C)(Oc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2 100387718 WLCAEXHUFPSPGJ-CGABQSEVSA-N 356.466 2.640 0 1 FFAF O[C@@H](c1ccc(Br)cc1)C(Cn1ccnc1)Cn1ccnc1 28874495 DZGDDWWLZLULQX-INIZCTEOSA-N 361.243 2.892 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-n3cc4ccncc4c3)c(F)c2)C(=O)O1 27423598 KRMSGDZIIUIOLC-INIZCTEOSA-N 368.368 2.626 0 1 FFAF COc1cc(C[C@@H]2COC[C@@H]2[C@@H](O)c2ccc3c(c2)OCO3)ccc1O 2356641635 WTGJOVWSHSCACR-SIFCLUCFSA-N 358.390 2.668 0 1 FFAF CC(C)=CCC/C(C)=C\CO[P@@](=O)(O)OC[C@H](COC=O)OC=O 40861319 QUPQPFMDZTULIE-GSHXUFRSSA-N 364.331 2.527 0 1 FFAF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)o1 82162928 ZTVWUIOTWUITRE-HNNXBMFYSA-N 363.421 2.809 0 1 FFAF NC(=O)N1CCCc2cc(-c3cncc([C@@H](O)C(F)(F)F)c3)cnc21 221409327 STFOWNMXAVNANZ-CYBMUJFWSA-N 352.316 2.571 0 1 FFAF COc1ccc(-c2c(-c3c(OC)cc(OC)cc3OC)c(=O)c2=O)cc1 96928908 NRQPLUOPJKXBPP-UHFFFAOYSA-N 354.358 2.651 0 1 FFAF CC(C)=C[C@H]1OC(=O)/C(=C/C[C@@H](O)/C(C)=C/CC/C(C)=C/CO)[C@@H]1O 238731497 XTDIHRJVDHZHKP-UORNWFCGSA-N 350.455 2.581 0 1 FFAF COC1=COC(CO)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832286 JHRQRDKINRXGCV-ABKXIKBNSA-N 370.218 2.712 0 1 FFAF CCS(=O)(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587849788 NUMRTDFFKOUZGQ-XPTSAGLGSA-N 364.280 2.772 0 1 FFAF COC(=O)c1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cn1 587951736 ZCXPSXUCBKZMNE-CJKMCJCZSA-N 369.421 2.898 0 1 FFAF Cc1cnc2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 587183444 YWOJZVPZCFPSLZ-VIFPVBQESA-N 367.194 2.985 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Br)cnn1C)O2 587377346 MNCLYFUWTCJCSS-OAHLLOKOSA-N 350.216 2.954 0 1 FFAF COCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575831 GMGBFKJYIBQSCV-QFBILLFUSA-N 366.373 2.938 0 1 FFAF CC[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581474 LICLKWNGZNWJPK-APWZRJJASA-N 351.362 2.794 0 1 FFAF COC(=O)C1CN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)C1 587397337 ZVMDHNVMJYYWSP-LJQANCHMSA-N 366.417 2.893 0 1 FFAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccc(F)cc1F)N1CCCC[C@@H]13 1772618183 MUPKIJQOKCBFBN-TYMNFSKTSA-N 359.372 2.787 0 1 FFAF Cc1ccccc1C(=O)NN1CCN(CCc2c[nH]c3ccccc23)CC1 169343964 MPUVBILJKLGHED-UHFFFAOYSA-N 362.477 2.981 0 1 FFAF COC(=O)[C@H]1C=N[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 169714621 FOJDNZXXDIBNGC-FFKUFXGXSA-N 351.450 2.965 0 1 FFAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3C)OCO4)CC2)cc1 205134465 YWXXBENUTFAKNC-UHFFFAOYSA-N 366.417 2.889 0 1 FFAF C[C@@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 768760 RLBFVBUAFZKKKZ-YLJYHZDGSA-N 372.852 2.800 0 1 FFAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O 116945224 HGUSGBLHYRXWQF-DOMZBBRYSA-N 352.394 2.686 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@H]3C[C@H]12 2356481700 YWULOMNQOWMRFL-IUYNRSMJSA-N 368.433 2.884 0 1 FFAF CC(C)=C[C@@H]1OC(=O)C(=CC[C@@H](O)C(C)=CCCC(C)=CCO)[C@H]1O 2356522889 XTDIHRJVDHZHKP-CEXWTWQISA-N 350.455 2.581 0 1 FFAF C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71281903 KVRDKGWGDUMUFK-YUNKPMOVSA-N 366.371 2.730 0 1 FFAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@H](C)c3ccc(F)cc3)n2)C1 82203757 YEHUIFRLRZJDEU-DYVFJYSZSA-N 357.433 2.812 0 1 FFAF O=C(Nc1ccccc1)Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1 40862716 BUCOGEJNJQHZOS-UHFFFAOYSA-N 360.377 2.812 0 1 FFAF C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@@]1(O)CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 85548463 VTJBUEPNESMAHX-FQCPVLFQSA-N 364.482 2.699 0 1 FFAF O=C(Cc1ccc(OC(F)(F)F)c(F)c1)N[C@@H]1COc2ncccc21 145028924 WVCKQLZFECPYPC-GFCCVEGCSA-N 356.275 2.912 0 1 FFAF CS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587127307 WGXCSGHJXVEJHP-UHFFFAOYSA-N 362.373 2.907 0 1 FFAF Cc1nc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2cc1Br 587256721 PBHCHOWZJBGDAL-SNVBAGLBSA-N 369.263 2.630 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1Cl 587064769 FMLGAKOUNGVJBI-UHFFFAOYSA-N 354.819 2.799 0 1 FFAF Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1C 587227015 HQRZXMCDWRAFPH-UHFFFAOYSA-N 366.421 2.722 0 1 FFAF CCOC(=O)C[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793902 OFVQTNHFCYUZAJ-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF Nc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1N 587145282 VSVDWABPJZVWHN-JTQLQIEISA-N 364.222 2.871 0 1 FFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1C1CCOCC1 963155522 YRTWKUNEDKTBBK-CHWSQXEVSA-N 368.455 2.857 0 1 FFAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cn1 1772646842 LNSMKZPHCCYKFY-UHFFFAOYSA-N 351.389 2.519 0 1 FFAF O=C(NCCCc1ccccn1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12431077 OYCHNSMXAHOHPG-QGZVFWFLSA-N 369.440 2.708 0 3 FFAF O=C(O)Cc1nn(Cc2nc(-c3ccccc3)co2)c(=O)c2ccccc12 13449061 AFSHTMJTTJSZHQ-UHFFFAOYSA-N 361.357 2.727 0 1 FFAF COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)Cc3cccs3)cc12 13523291 FYWHPWPPNWWHKX-UHFFFAOYSA-N 372.446 2.508 0 3 FFAF CCOC(=O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)c1ccccc1 13807331 SFSXDAXQZZUSLZ-DLBZAZTESA-N 370.453 2.888 0 1 FFAF CCOC[C@@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3c(Cl)c2O1 169345482 ADRXPFXKVOMKJX-SECBINFHSA-N 367.785 2.535 0 1 FFAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3cc4c(cc3C2)OCO4)CC1 1857544804 CCMCQXPLCVUZML-RZDIXWSQSA-N 373.497 2.994 0 1 FFAF O=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCCCC1 3958668 IKABZWQVMQKXSQ-UHFFFAOYSA-N 370.540 2.845 0 3 FFAF COc1ccc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CCC(=O)N23)OCO4)cc1 6005637 MREHBXFNHVGEBG-YSGRDPCXSA-N 353.374 2.551 0 1 FFAF C[C@@H]1[C@H](O)[C@@H](O)[C@@H](C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 6488793 CIPYUZIZHRGQMU-YKCBXCCJSA-N 354.450 2.623 0 1 FFAF O=C(c1ccccc1)N1CCC(N2CCc3cc(O)ccc3[C@H](O)C2)CC1 64559385 XZQGWQIWLXSEBC-OAQYLSRUSA-N 366.461 2.589 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4C)C[C@H]3C2)n1 116825675 ITGYKTHFPTWTCL-HOTGVXAUSA-N 354.429 2.749 0 1 FFAF COC(=O)c1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C(=O)C2 27525155 RVSQOJDHTRFZPG-UIFIKXQLSA-N 374.433 2.844 0 1 FFAF COc1ccc(C[C@@H]2COc3c(C)c(OC)c(C=O)c(O)c3C2=O)cc1 13327537 BOLJCTQPTZJTBQ-CYBMUJFWSA-N 356.374 2.964 0 1 FFAF biogenic NC(=O)c1nnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 49033791 XLNLAGRVXCJPBA-UHFFFAOYSA-N 372.372 2.704 0 1 FFAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1 149616716 HHKWMTRMYWMUDH-CJNGLKHVSA-N 351.410 2.772 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(CC(C)C)C(C)=O)N(C(C)=O)[C@H]2CO)cc1 95895368 ZJWKNCRNQFQHDF-YDITYBEASA-N 372.509 2.899 0 1 FFAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 253685321 WSFPEOPUUJFNEF-CMOCDZPBSA-N 371.569 2.967 0 1 FFAF OCCCNc1nccc(NCCNc2ccnc3cc(Cl)ccc23)n1 653858602 FWZLFPHJIJRJGB-UHFFFAOYSA-N 372.860 2.997 0 1 FFAF CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](OC)O1 587616811 MCSZDUHBBLOQRA-NGCRYJGJSA-N 372.373 2.704 0 1 FFAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(S(C)(=O)=O)c1)c1ccccc1 1772634036 UPWPMMDUDYSIOB-CYBMUJFWSA-N 369.446 2.971 0 1 FFAF O=C1C[C@H](SCc2ccccn2)N1C(=O)NCCOCc1ccccc1 5934220 RBBFEHDURWQNNN-SFHVURJKSA-N 371.462 2.800 0 1 FFAF NCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857542608 WFZXKNLYANIBDY-RTWAWAEBSA-N 350.510 2.824 0 1 FFAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccn2)C1=O 1857614780 XFDIYQRODQBNBJ-SFHVURJKSA-N 365.477 2.911 0 1 FFAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C(=O)OC)C[C@H](O)CCC1=O 2356347468 SMSSMOBWKOFJTJ-UZLBHIALSA-N 366.454 2.886 0 1 FFAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4oc5ccccc5c4c3)C[C@H]12 3786210 BKHKEFRQIWQKCA-QEIWDELWSA-N 363.369 2.993 0 1 FFAF COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 102643304 FIBTWTLJSKPPQB-ITNMGLJCSA-N 370.445 2.780 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)c1 2356300814 YGHXYULUEBLNRC-DOTOQJQBSA-N 356.401 2.706 0 1 FFAF Cc1ccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302622 FPIIAJYCKSHSKV-CABCVRRESA-N 372.469 2.945 0 1 FFAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CC[C@H]3O)c(F)c2)c1 28526316 BZUKHWIVKMDFFY-QGZVFWFLSA-N 371.364 2.976 0 1 FFAF COc1ccc(OC[C@@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29484584 HIBWPNXNPBVABM-IBGZPJMESA-N 356.466 2.647 0 1 FFAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@]1(O)C=CO[C@@H]1O4 13374599 SHQCFFLCIPXBLN-MSOLQXFVSA-N 374.732 2.764 0 1 FFAF biogenic COC(=O)[C@]1(Cc2ccc3c(c2)OCO3)CC(=O)O[C@H]1c1ccccc1 73159502 HEBMYUZMCADJTM-AZUAARDMSA-N 354.358 2.805 0 1 FFAF C[C@H]1CN(C)C(=O)c2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661246 CXEKBWSCCPFRDF-LRDDRELGSA-N 363.458 2.605 0 1 FFAF Cc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 263590386 WTDDYJLBNVEFFU-ROUUACIJSA-N 356.447 2.727 0 3 FFAF NC(=O)c1nc(-c2ccccc2)oc1-n1ncc2ccc(Cl)cc2c1=O 587653204 RPMAMIABCXUQDV-UHFFFAOYSA-N 366.764 2.793 0 1 FFAF COc1cc(O)c(-c2ccc3c(O)nc(O)nc3n2)cc1Br 587365618 FOOBPBMQGPBLAD-UHFFFAOYSA-N 364.155 2.580 0 1 FFAF COCC(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 587563874 XZXMMVURELBOHM-UHFFFAOYSA-N 362.021 2.846 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005192 BMZUSCUZHJMWST-UHFFFAOYSA-N 368.578 2.617 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c1 586929743 IBCCNKIIXOHXKX-UHFFFAOYSA-N 354.391 2.998 0 1 FFAF C/C(=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NCCO 587755044 LOAILVBYTDVGNR-MYNFNAEZSA-N 357.267 2.823 0 1 FFAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C(=O)O)Cc1cccc(F)c12 962896188 KRUVQRFPYUNUBZ-YMTYPPQLSA-N 354.425 2.914 0 1 FFAF C[C@@]1(c2c[nH]c3ccc(C(=O)O)cc23)NCCc2c(C(=O)O)cccc21 963120320 GJVKYPUEGLDYFS-HXUWFJFHSA-N 350.374 2.974 0 1 FFAF CC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468777 IWQMMQGFNOIXBI-FPSMJMQUSA-N 353.418 2.768 0 1 FFAF CN1C(=O)C[C@H]2CN[C@](C)(c3ccc(-n4ccnn4)cc3)c3cccc1c32 963026090 NFZNAKPLMKPAHU-LHSJRXKWSA-N 359.433 2.584 0 1 FFAF C[C@H]1CN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857646655 LWBGFYMVAIWBQD-SMDDNHRTSA-N 359.376 2.847 0 1 FFAF Cn1cc(NC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 15680468 IJIIHUALNJKNNG-ZDUSSCGKSA-N 365.389 2.500 0 1 FFAF C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@@H](CO)C(=O)OC 33833756 JGKCGXVOATXMRM-CKNFYHOISA-N 354.450 2.671 0 1 FFAF O=C1N[C@H]2C(=O)c3c(Br)sc(Br)c3[C@H]2O1 6018459 QTMOAZOFQWGGSA-WVZVXSGGSA-N 352.991 2.619 0 1 FFAF CC[C@H](C)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103177515 XOYQNRBDJPNVLG-JNTOLUJYSA-N 357.410 2.949 0 1 FFAF CC(C)COc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 100793543 UTEHYSMMPLIZDF-HOTGVXAUSA-N 359.470 2.786 0 1 FFAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1 61907403 XLOXIPYNPKNLAY-LJQANCHMSA-N 365.426 2.518 0 3 FFAF C[C@@H](SCCCCCO)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29243343 GPYDEWLNSHBSPT-CXAGYDPISA-N 371.453 2.728 0 1 FFAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@@H](C)c3ccc(F)cc3)n2)C1 82203752 YEHUIFRLRZJDEU-GUYCJALGSA-N 357.433 2.812 0 1 FFAF C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 85589012 DTMWSKSAMRZGQH-MCTLKSGKSA-N 366.435 2.999 0 1 FFAF endogenous,world CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164986 ITBVZKOXPQJDRQ-UHFFFAOYSA-N 355.373 2.794 0 1 FFAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1F 141903855 AYFLFKHHVVQKAL-GFCCVEGCSA-N 367.380 2.959 0 1 FFAF O=C(O)CCNC(=O)c1ncc2ccc(Oc3ccccc3)cc2c1O 146669770 BMJJHMFNQHGEHU-UHFFFAOYSA-N 352.346 2.937 0 1 FFAF C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccs1 95604311 RGCYAOXGGYUANV-SFHVURJKSA-N 360.504 2.899 0 3 FFAF COc1cc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)cc(OC)c1OC 95602443 WWUBOSRORWJGRU-UHFFFAOYSA-N 370.409 2.789 0 1 FFAF in-vitro CO[C@@H]1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C 143757062 NOMGKGZJPSIDLO-QGZVFWFLSA-N 355.825 2.918 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587142297 SJLGYVANPIXCCO-UHFFFAOYSA-N 361.185 2.718 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(Cl)cc1N 587868645 QOKRNSRVNOMTEH-UHFFFAOYSA-N 370.722 2.987 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](CN1C(=O)c3ccccc3C1=O)CC2=O 587475189 JZSJJHJCEZPSHG-GFCCVEGCSA-N 365.385 2.975 0 1 FFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 587125865 HAKKRNMOLNXCGT-XINAWCOVSA-N 372.742 2.541 0 1 FFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)C4CC4)[nH]c3c2)cc1 587255699 NPOJQGGCAXCMGM-QGZVFWFLSA-N 372.450 2.782 0 1 FFAF Nc1ncnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586957626 ADGYLKMHULTIGL-AREMUKBSSA-N 363.446 2.973 0 1 FFAF Cc1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1C 587227022 HUOLBGRUKSWZHT-UHFFFAOYSA-N 366.421 2.722 0 1 FFAF O=C1CC=C(c2nc3cc4c(cc3[nH]2)OCO4)NN1Cc1ccc(F)cc1 587164920 ZAFQFSPGWYSTHX-UHFFFAOYSA-N 366.352 2.709 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCCC3)nc(=N)[nH]c1Cl)O2 587378635 DCAQRTXUNDXPLB-CYBMUJFWSA-N 373.844 2.740 0 1 FFAF Cc1c(Br)cnc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc12 587256183 CAPHYZQHQUSZHZ-SNVBAGLBSA-N 369.263 2.630 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 586927735 VWBRGCHOIFNMIL-UHFFFAOYSA-N 352.213 2.791 0 1 FFAF COc1ccc2c(C)c(CCc3nc4cc[nH]c(=N)c4[nH]3)c(=O)oc2c1C 586917691 FLAPSJUPCDKFLW-UHFFFAOYSA-N 364.405 2.888 0 1 FFAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 12297452 GRMPWWZIJGJWAO-CQSZACIVSA-N 360.845 2.752 0 3 FFAF CCC(=O)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13570941 UDIHHCPJUBCFDX-UHFFFAOYSA-N 354.362 2.789 0 3 FFAF CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2Cc1ccccc1 169721491 VBAOWUIJNPLIJH-UHFFFAOYSA-N 350.330 2.822 0 1 FFAF COc1ccc(CN2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CC(=O)O)cc1 1857628303 YUBYJLFIVOICPR-SFFNPBHPSA-N 358.482 2.845 0 1 FFAF CC=C[C@H](O)[C@H](O)[C@]12C=C[C@H](C)[C@H]1c1c(c3c(C)cc(O)cc3oc1=O)O2 2356326137 UOSOGOPJUWRLRY-PEBZBOJYSA-N 370.401 2.526 0 1 FFAF O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc(Cl)cn1 2665229 IESJRBMBHBHFQC-QWRGUYRKSA-N 350.802 2.612 0 1 FFAF COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cncnc32)c1 4238797 XUVPUZLDMHOJHP-UHFFFAOYSA-N 350.403 2.972 0 1 FFAF CC(C)Oc1cc(N2CCO[C@H]3C[C@H]32)nc2c(-c3cc[nH]n3)nccc12 1911570895 UFIHJBPJNYJZNZ-ZBFHGGJFSA-N 351.410 2.785 0 1 FFAF O=C(Nc1ccccc1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680260 AKRRVPNSYXFCAW-UHFFFAOYSA-N 367.449 2.970 0 3 FFAF COCCNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 9685513 VDICJRUEKUAKRK-UHFFFAOYSA-N 364.467 2.556 0 3 FFAF CC(C)N1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1 103284756 GNGSNXRKQNDVDS-UHFFFAOYSA-N 355.438 2.565 0 1 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@]1(C)O 2356289687 XVHIBAHIVJXLAF-ZVDOUQERSA-N 358.482 2.796 0 1 FFAF COc1cccc(C(=O)N[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28455646 QMDNVVIVCHVJDP-KRWDZBQOSA-N 368.433 2.818 0 1 FFAF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@@]21C 14725065 KYZIIBUTEUCONI-JNGUPHOOSA-N 362.422 2.747 0 1 FFAF biogenic COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)O)cs2)c1 82085167 RJYLBJXHUSJHCX-AWEZNQCLSA-N 362.407 2.517 0 1 FFAF CC1=CCC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C2 238775049 YIBWIRUWDREGPY-KYXYHZHLSA-N 368.514 2.772 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)O2 587394043 PVXRVTZZXXRSGL-GDBMZVCRSA-N 362.426 2.547 0 1 FFAF CCN1CC[C@]2(CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 587765794 DKHNAGHOQFQHHV-QLJPJBMISA-N 355.251 2.960 0 1 FFAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H]2N 587388515 CJNDGAXYBPSKIN-YWZLYKJASA-N 354.406 2.859 0 1 FFAF COc1ccc2c(C)c(CCc3nc4cnncc4[nH]3)c(=O)oc2c1C 586918994 VEQQLAMFNGHNBD-UHFFFAOYSA-N 350.378 2.870 0 1 FFAF CCc1ccccc1NC(=O)c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 587241320 UEBYLJAJERQDSV-UHFFFAOYSA-N 372.450 2.628 0 1 FFAF COC(=O)c1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cn1 587039694 ICOFRNRZJIOGON-LBPRGKRZSA-N 364.427 2.727 0 1 FFAF O=C(O)c1cccc2c1CCN[C@]21C[C@H](C(=O)O)Oc2ccc(Cl)cc21 963118261 BCWNAMWPYDGSSK-VQIMIIECSA-N 373.792 2.663 0 1 FFAF Cc1ccc(SCCN(C)C(=O)c2cn(C3CCC(N)CC3)nn2)cc1 77338777 QNDWKMVNQNAYSZ-UHFFFAOYSA-N 373.526 2.893 0 1 FFAF Cc1csc(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 12074425 IYGLQMLDALBKDX-QGZVFWFLSA-N 371.506 2.939 0 3 FFAF COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(N)cc1 13553356 AVDFAXBYOZRKJH-UHFFFAOYSA-N 373.478 2.573 0 1 FFAF O=C(O[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 169327498 OHNAGFMKBFJYRG-QWHCGFSZSA-N 367.188 2.570 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1[C@H]1C(=O)Cc2c1ccc1c2OCO1)OCO3 2356321394 LHPNQYJYGLYMGX-UXHICEINSA-N 365.385 2.582 0 1 FFAF O=c1c2ccccc2nc2n1CC[C@]2(O)[C@H]1c2ccccc2N=C2CCCN21 2356375387 BEDKDIQIUJUEML-KNQAVFIVSA-N 372.428 2.869 0 1 FFAF CC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4952787 ZLZMHNGIPXOUOI-GGNLRSJOSA-N 355.434 2.921 0 1 FFAF O=C(O)CCC[C@@H](O)C=CC=CCC[C@@H](O)CC=CCCCCC(O)O 2356284463 BZDHSIPNZCHPKA-ROUUACIJSA-N 370.486 2.673 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)n1 2356304416 GLXUXDJKZPRZKB-CRAIPNDOSA-N 370.428 2.716 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H](CC1)O2 2356457880 DJANQNNGVQFNMT-WUOIFLIFSA-N 350.455 2.798 0 1 FFAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2Cl)s1 103284969 BIBXOLJIONCAKX-MRVPVSSYSA-N 368.827 2.539 0 1 FFAF C[C@H](NC(=O)COc1ccccc1)[C@H](c1ccccc1)N1CCN(C)CC1 22037030 GSXGNYVFFZYRNV-PGRDOPGGSA-N 367.493 2.559 0 3 FFAF CN1O[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1 74373883 YZXODOVEDIZPCO-IBGZPJMESA-N 353.378 2.784 0 3 FFAF O=C(NCCCCNCCCNC(=O)c1ccccc1)c1ccccc1 5834317 LMCPFFPDMJWFKE-UHFFFAOYSA-N 353.466 2.606 0 3 FFAF biogenic C[C@@H]1C(=O)CCCCCCCCC[C@@H]2[C@]1(N1CCOCC1)CS2(=O)=O 33864456 SHVUHSCYXGXOEY-QRQLOZEOSA-N 371.543 2.584 0 3 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@H]1CC[C@@H](C2)N1 82154301 ZYXCONLULJQDHW-BLLLJJGKSA-N 353.447 2.755 0 1 FFAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCOCC3)ccc1C2=O 49125303 APTVDLWJMSPJIX-UHFFFAOYSA-N 358.401 2.774 0 1 FFAF CCCC[C@@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40379129 WPARLJDTEVDECR-HIFRSBDPSA-N 366.849 2.827 0 1 FFAF COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2[C@H](C(C)=O)COC[C@H]2[C@H](C3)N1C 195978941 SRSUKTCWRPDHED-WJLOEWIOSA-N 368.477 2.956 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 95798041 PTKQWCOSPHHWRV-RCNNOFCTSA-N 362.473 2.891 0 1 FFAF O=C(NC1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95869412 HNLHPANQQJVZFI-UXHICEINSA-N 369.509 2.563 0 1 FFAF CS(=O)(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cnc2N)cc1 653687989 IUABGDOPXMUINY-UHFFFAOYSA-N 367.430 2.500 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(C1CC1)C(=O)C2 587583281 REIJNFUZOUZRHD-NQIIRXRSSA-N 365.385 2.877 0 1 FFAF COc1ncnc(N)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743369 DOVLJZYIHDERFP-CPFSXVBKSA-N 367.222 2.593 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC[C@@H](N)C(=O)O)(c1ccccc1)O2 587389257 JOCRSRMUYXIMTQ-FOIQADDNSA-N 354.406 2.630 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2ccc(F)c(C)c2[nH]1 587566204 ANLOUDIETJQGOH-UHFFFAOYSA-N 352.406 2.929 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586931777 KBNUTOSEAGDAQX-UHFFFAOYSA-N 355.769 2.669 0 1 FFAF CCOC(=O)/C=C\c1ccnc2c1NC(=O)c1cccnc1N2C1CC1 14943454 KERJMCSPJPMIQJ-YVMONPNESA-N 350.378 2.919 0 1 FFAF Cc1nc(OC(C)C)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311466 OCEDENDWAWLMJA-FVLPDPDASA-N 350.484 2.908 0 1 FFAF CNC(=O)c1cc2c(OC(=O)N(C)C)cccc2[n+](Cc2ccccc2)c1 1857537590 FIPLNKOSALQNQE-UHFFFAOYSA-O 364.425 2.596 0 1 FFAF O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCCC1 103303015 HDIHMYGJUUDJKO-UHFFFAOYSA-N 359.336 2.629 0 1 FFAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@H](O)[C@H]2CC(=O)Nc1ccccc1 2356316333 XFZLBUZZVUKTDB-ORAJIYJMSA-N 361.482 2.562 0 1 FFAF NC(=O)[C@H]1CCC[C@H](N2CCC([C@H](N)Cc3cc(F)ccc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c2ccc(Cl)cc2)C(=O)N1CN1CCOCC1 31872367 ABLPJJNIYNCJSN-UVTDQMKNSA-N 351.859 2.532 0 1 FFAF CCO[C@@H]1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)[C@H]1O 13307070 AMERCRIYENEJRO-WBVHZDCISA-N 354.399 2.525 0 1 FFAF biogenic CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F 224832293 BNBVFOWJGNJRND-UHFFFAOYSA-N 372.425 2.782 0 1 FFAF C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 49748494 XITMABSZYZIVCB-JTQLQIEISA-N 359.451 2.559 0 1 FFAF Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 49088351 QFKNUCVKOWGNCX-GFCCVEGCSA-N 359.499 2.801 0 1 FFAF O=C1C[C@@H](COc2nc(-c3ccc4c(c3)OCO4)cc3ncccc23)CN1 141911463 SNTVFXQUZVZQIW-GFCCVEGCSA-N 363.373 2.540 0 1 FFAF CC(C)C[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccccc2)C(=O)N1 95898394 PJFGCUVPYCUKFQ-QZTJIDSGSA-N 356.470 2.588 0 1 FFAF C[C@]1(CO)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 40393162 PNMOOGSNXGIKSQ-OXJNMPFZSA-N 370.357 2.667 0 1 FFAF biogenic CN1CCN(c2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)CC1 587245390 XEYNTAXFUURHQB-MDZDMXLPSA-N 361.449 2.967 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586959559 RILDGJBQWJDWND-HNNXBMFYSA-N 369.805 2.824 0 1 FFAF CCS(=O)(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850850 SRLHESCYSYKOQM-XPTSAGLGSA-N 364.280 2.772 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3c(C(=O)O)cnn3c1C)O2 587395604 SCNPCOQIIGKWBM-LJQANCHMSA-N 366.377 2.507 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNc3[nH]cnc32)N1 587802152 KGHIPIAXSYUFPR-AYVTZFPOSA-N 364.222 2.543 0 1 FFAF Nc1ncnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586999232 WMXZSXZNPWBAOL-OWOJBTEDSA-N 360.171 2.597 0 1 FFAF C[C@@H]1CC(=O)[C@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@@H]1C 962694729 HQMYYQKFAQIOPW-LJJNDYBASA-N 359.319 2.884 0 1 FFAF Cc1cc2c(cc1O)[C@@H](c1ccnc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963511077 SWIIYOOBDSILBL-SWLSCSKDSA-N 352.312 2.803 0 1 FFAF CCOC[C@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3c(Cl)c2O1 169345484 ADRXPFXKVOMKJX-VIFPVBQESA-N 367.785 2.535 0 1 FFAF CCCCCn1nnnc1[C@](C)(CCCC(=O)OC)NCc1ccco1 205857930 ADKPMNYCVMZGKG-SFHVURJKSA-N 363.462 2.805 0 3 FFAF CNc1nc(Nc2cnn(CC3(O)CC3)c2Cl)ncc1C(F)(F)F 205696103 IJLGCNFLWATCJS-UHFFFAOYSA-N 362.743 2.656 0 1 FFAF Cc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857613176 SLOVRGQTJGESMC-AWEZNQCLSA-N 374.448 2.971 0 1 FFAF CCOC(=O)[C@]1(C)CCN1C(=O)c1cc(OC)ccc1Br 61896872 ZAOFLEHBKFHCEO-HNNXBMFYSA-N 356.216 2.625 0 3 FFAF CC[C@@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NCc1ccccc1 28111635 KDEIKFGXYSUMPJ-RDTXWAMCSA-N 365.437 2.720 0 1 FFAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@H]21 2356824371 AHBMMSMODVSWLF-SNTIZLKRSA-N 351.426 2.914 0 1 FFAF CC1(C)O[C@H]1Cc1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O 14762917 LSWDODWEFUHTNQ-LRDDRELGSA-N 372.373 2.588 0 1 FFAF biogenic CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCCN(C)CC3)ncc2C)C1 82202640 HQXBZMKDVKZPAU-BZSNNMDCSA-N 361.534 2.933 0 1 FFAF CO[C@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84652876 IJQMPJJDNNFMLK-INIZCTEOSA-N 365.547 2.608 0 1 FFAF NC(=O)Nc1sc(-c2cccc(F)c2)cc1C(=O)N[C@H]1CCCNC1 40861144 QMTYJSSGHPNPDY-LBPRGKRZSA-N 362.430 2.527 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894016 XGOBDDATJGVWJO-SBHAEUEKSA-N 354.425 2.911 0 1 FFAF Cc1cc(C2=C(c3ccc(F)cc3)C(=O)N[C@@H]2C)cc2c1OCC(=O)N2 96283357 DBJLPZIAKOMATO-LLVKDONJSA-N 352.365 2.894 0 1 FFAF C[C@@H]1CC[C@@]2(O)C(C)(C)CCC(=O)[C@@]23C(=O)O[C@H](c2ccoc2)C[C@@]13O 238740037 DHVIVSFSRBQHPI-UMFZPZCISA-N 362.422 2.535 0 1 FFAF CC[C@H](C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 621441637 PHFKMQIUISHRJW-QWNWYNEWSA-N 374.868 2.537 0 1 FFAF CC(=O)c1cc(-c2cc(C(=O)O)ccn2)c2cc(N3CCOCC3)ccn12 653808004 AULOTPDXGMTQAR-UHFFFAOYSA-N 365.389 2.739 0 1 FFAF Cc1ccnc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc12 587259528 JQQFLKGQPUPACE-HNNXBMFYSA-N 353.426 2.973 0 1 FFAF COC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1OC 587119494 YHGQRHXQQTVAOP-UHFFFAOYSA-N 368.315 2.816 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN2CCC[C@H]2C1 587873083 UZPRDENILGCCDS-KRWDZBQOSA-N 372.444 2.508 0 1 FFAF COC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2n1 586881808 IOBXQRAXHBBRTN-UHFFFAOYSA-N 351.362 2.673 0 1 FFAF COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587585254 CWFWTAZZXSNTRZ-YJBOKZPZSA-N 350.330 2.894 0 1 FFAF COc1ccc(C=O)c(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)c1OC 587785495 AQUZFYCBRFKCRL-UHFFFAOYSA-N 353.378 2.761 0 1 FFAF N=c1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c[nH]1 587173149 QZRSHGAAIJWXRG-UHFFFAOYSA-N 353.332 2.965 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2 962913698 RGHMWIBUEOPPRY-KRWDZBQOSA-N 370.280 2.550 0 1 FFAF CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3ccnn3C)C2)c1 11662670 RFKOEHPVPBJEPR-INIZCTEOSA-N 355.438 2.942 0 3 FFAF Cc1oncc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 12092086 WSKRYDRZTHVTPC-SFHVURJKSA-N 350.365 2.719 0 3 FFAF O=C(O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1 13820145 CIXWRJGFJGYCMU-UHFFFAOYSA-N 372.380 2.899 0 1 FFAF CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 169306325 YFTUQUCGVBYSGB-BXUZGUMPSA-N 354.838 2.995 0 1 FFAF CCc1ccc([C@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857631421 BYOALGJBMXJQIU-INIZCTEOSA-N 367.357 2.759 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNC4CCC4)O3)no2)cc1 2356455273 MQEVHYQRMSGLJP-ZJOUEHCJSA-N 372.465 2.943 0 1 FFAF CCOc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590186 NQHNWRGMLHHVDO-UHFFFAOYSA-N 357.414 2.892 0 1 FFAF COC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 3870450 PVALLOSAENRPQO-MRXNPFEDSA-N 352.438 2.534 0 1 FFAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4043509 VPIMZLABNPTKTM-HKUYNNGSSA-N 371.437 2.590 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@H]1CC[C@H](C2)N1 100632561 XGOQVTSRPAIGHL-MLGOLLRUSA-N 353.447 2.755 0 1 FFAF O=S1(=O)c2ccc(Br)cc2N2CCC[C@@H]2CN1C1CC1 61931088 ZFFYJHMAJDTABM-GFCCVEGCSA-N 357.273 2.585 0 3 FFAF CC(=O)Nc1sc(Br)c(Br)c1OCC(=O)O 28886975 VGPDMIWPUORNGC-UHFFFAOYSA-N 373.022 2.695 0 1 FFAF C[C@@H](CN1CCN(c2ccc(F)cc2)CC1)Cn1c(=O)oc2ncccc21 28264654 XCZBNGUIOWXWTF-HNNXBMFYSA-N 370.428 2.587 0 1 FFAF COc1ccccc1NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 16042010 VPPZUXGKYBZGKK-MRXNPFEDSA-N 353.378 2.994 0 1 FFAF biogenic CCOP(=O)(OCC)[C@@H](O)c1cc2cc(C)ccc2n2nnnc12 49051548 BNPPOVMHAYPBDV-OAHLLOKOSA-N 350.315 2.843 0 1 FFAF COc1ccc2c(=O)c(O)c(-c3cc(OC)c(OC)cc3CO)oc2c1 45367685 AIGLPXBRWXIQCI-UHFFFAOYSA-N 358.346 2.684 0 1 FFAF CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82151313 WRCGLGZZANIDHP-CYBMUJFWSA-N 358.417 2.966 0 1 FFAF O=C1C[C@H]2N(CC3CC3)CC[C@@]34CC(=O)[C@H]1C[C@@]23Cc1ccc(O)cc14 254133678 WWZJATZYCGKHLQ-AEMJNJESSA-N 351.446 2.609 0 1 FFAF O=C(NCCCN=c1[nH]c2ccncc2[nH]1)c1cc(Cl)cc(Cl)c1 473166034 DBNRKIFQGXPXTJ-UHFFFAOYSA-N 364.236 2.919 0 1 FFAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587430314 DBZLINSXHAVFKJ-XQBSKJPRSA-N 367.449 2.764 0 1 FFAF N=c1[nH]c2nc(-c3nc(Br)ccc3Cl)nc-2c(Cl)[nH]1 587005335 UDKWVFVPCGOPCN-UHFFFAOYSA-N 360.002 2.848 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCNC2=O)N1 587790371 CNUAPJVVAZDFDX-SEFYAATASA-N 355.251 2.864 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587038639 BBFDQGUXPFTELU-IRXDYDNUSA-N 373.503 2.913 0 1 FFAF Cc1[nH]nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Br 587651410 SOPASDSECGTXGM-UHFFFAOYSA-N 367.590 2.532 0 1 FFAF Cc1ccc([C@@]2(CC(=O)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408974 SAEUKQLPQUTFPN-FQEVSTJZSA-N 353.374 2.790 0 1 FFAF C[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361717 ZOFLGRWUNQCPNO-WMZOPIPTSA-N 364.394 2.694 0 1 FFAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 587168198 VDQSNZJSYMLAJI-SNVBAGLBSA-N 374.401 2.855 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346204 HVLQUPHFUPZQBR-XKGZKEIXSA-N 374.364 2.837 0 1 FFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCC[C@H]2CCCO)N1 963229439 LCQLGFHPOZGVAX-JBYOLUDKSA-N 354.450 2.992 0 1 FFAF COc1cc(OC)c([C@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772589894 MUKXFOHIRNSOFT-ZOXOGZHVSA-N 364.438 2.621 0 1 FFAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4noc(C(C)C)c4C3)ncnn12 169711661 YBPUQDFQSQUKRB-CYBMUJFWSA-N 368.441 2.611 0 1 FFAF COc1ccc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O 2356382435 AOMUBLFRVWEUNV-STXHMFSFSA-N 360.406 2.654 0 1 FFAF CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@H](/C=C/1C)OC(=O)[C@H]2C 104370380 OHMAVTDVTQMMMR-VKVXFRPGSA-N 350.411 2.714 0 1 FFAF in-man CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)nc1 29038953 DVRNDHNEHMDVJL-UHFFFAOYSA-N 368.340 2.752 0 1 FFAF CC[C@H]1C[C@H](CO)C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@@H]12 28372851 MGINSSIKKGMDGW-SCYQNTHKSA-N 356.466 2.522 0 1 FFAF COc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 28821261 NEJXTPAHRJINQU-UHFFFAOYSA-N 356.466 2.599 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@@](C)(c2ccccc2)O1 29319474 SQPIZICZOGTLGX-LAUBAEHRSA-N 373.449 2.961 0 1 FFAF C[C@H](C=CC(=O)O)[C@H](O)[C@H](C)C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1 2356637166 JELLOIMREUHSKD-RPJYQAFQSA-N 363.454 2.503 0 1 FFAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CC(=O)N4CC[C@]12[C@@H]3CC5 2356716637 SSPSJUOUNMQACS-QYRPDUKASA-N 366.417 2.613 0 1 FFAF CC1=CC2=CC3=C(C(=O)CCCCC[C@H](C)O)C(=O)O[C@]3(C)[C@H](O)C2=CO1 14658784 PFALYUDCQYQBHE-DKIOLRDMSA-N 374.433 2.618 0 1 FFAF biogenic CN(C)C(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185968 KFGCMHFYLHWNHX-QGZVFWFLSA-N 359.861 2.519 0 1 FFAF c1cc2c(cc1O[C@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 43065150 ZZMNWJVJUKMZJY-FOEVPDMQSA-N 370.357 2.883 0 1 FFAF in-man CCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82150502 ICQJZJZEVANCKP-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF C/C(=C/C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(O)[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C 238789597 BUMAUDJEGAOISB-LSBJXIAMSA-N 354.487 2.733 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC(C)C)C(C)=O)cc1 95894994 ZJWKNCRNQFQHDF-WSUFCHCASA-N 372.509 2.899 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)cc3[nH]2)c1 587258961 BNHSUNZMBNROCR-LBPRGKRZSA-N 359.227 2.667 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006395 IRVQXEMQLYIAJR-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(O)O)N1 587845801 FUYHAYPBBZITRS-ANRSDYALSA-N 372.259 2.738 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCNCC3)cc1)O2 587397530 BQHNMIPOFLMFIV-NRFANRHFSA-N 351.450 2.867 0 1 FFAF CCOc1ccccc1[C@@](N)(c1nc2ccnc(O)c2[nH]1)C(F)(F)F 587091884 HJMKMLPSNOHLGK-OAHLLOKOSA-N 352.316 2.827 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587088411 MSMRZPKWHVJTIC-JTQLQIEISA-N 370.425 2.563 0 1 FFAF N=c1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c[nH]1 587003978 PQNYNORYTZQQCX-QMMMGPOBSA-N 373.210 2.768 0 1 FFAF NC(=O)c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587162588 XILVMLLPXIYSFK-UHFFFAOYSA-N 370.775 2.761 0 1 FFAF COc1nc(OC)nc(Sc2ccc(C(=O)O)cc2Br)n1 1857611119 APIWFRJVVCLZBH-UHFFFAOYSA-N 372.200 2.501 0 1 FFAF O=C(O)c1cccc(-c2cn(-c3ccc4cc(C(=O)O)n(O)c4c3)nn2)c1 169325242 UFRWPTWGKNOSGP-UHFFFAOYSA-N 364.317 2.523 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1C1=CN2CCCC3=CC=C[C@H]1[C@H]32 1857573876 CXLGDSFMCPYYAM-DVMWJLJYSA-N 371.440 2.998 0 1 FFAF COc1cc(C(=O)c2cnn(-c3ccccc3)c2N)cc(OC)c1OC 1857654613 HYCPHMZGQBAUQT-UHFFFAOYSA-N 353.378 2.711 0 1 FFAF COc1ccc(CCN[C@@H](CO)c2ccc(O)c3nc(O)ccc23)cc1 1857770411 TYNFNPLIMGKVAL-KRWDZBQOSA-N 354.406 2.520 0 1 FFAF COc1ccc(-c2noc(C(=O)NCc3cccnc3)c2[C@@H](C)O)cc1 2356380256 XWLNNYLOZCFYIV-GFCCVEGCSA-N 353.378 2.729 0 1 FFAF COc1ccc(N)cc1-c1nc([C@@H]2SC[C@@H](C(=O)O)N2C)cs1 103234761 QOCIWPBFEQSIIQ-FZMZJTMJSA-N 351.453 2.531 0 1 FFAF Cc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)cc1Cl 100623091 KXRVUFRNLIWJKV-XJKCOSOUSA-N 370.902 2.719 0 1 FFAF NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114593049 KPGTYTGPORYSDD-LJQANCHMSA-N 368.364 2.805 0 1 FFAF CCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215048 MWUVJWIHDRHCFX-JSGCOSHPSA-N 354.838 2.995 0 1 FFAF COc1cc(C(=O)O)ccc1COc1cc(O)c2c(=O)ccn(C)c2c1 27889571 LTEADJGWZMYUQC-UHFFFAOYSA-N 355.346 2.530 0 1 FFAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccco1 35594369 YUACVWOTZJAVBB-LBPRGKRZSA-N 370.434 2.914 0 1 FFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NC1CCCCC1 82203359 XNEHMCSDWMVYTL-UHFFFAOYSA-N 353.474 2.646 0 1 FFAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 82179301 NEJDZTLMZZVNFS-UHFFFAOYSA-N 353.426 2.970 0 1 FFAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccn2)CC1 653784854 JMBZSTQEAZBYJJ-UHFFFAOYSA-N 364.409 2.942 0 1 FFAF O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(-c3ncccc3F)cnn12 653679918 PNVWHXFSWIHSNG-UHFFFAOYSA-N 350.309 2.619 0 1 FFAF O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)OCc1ccccc1 587651492 AJEJYEFIHVFRKO-UHFFFAOYSA-N 371.780 2.617 0 1 FFAF COC(=O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1 587074944 BMFXLTOGIVPGKK-UHFFFAOYSA-N 354.757 2.646 0 1 FFAF Oc1nc(O)c2ccc(Cc3ccc(Br)cc3F)nc2n1 587368117 IDVZJYLZIBYTPX-UHFFFAOYSA-N 350.147 2.928 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]cnc1C 587869867 PTBSZCHVJOMXDL-UHFFFAOYSA-N 351.288 2.693 0 1 FFAF COc1ccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)cc1OC 587928519 IDAZNLXVLCFKCA-UHFFFAOYSA-N 363.377 2.822 0 1 FFAF O=S(=O)(/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 586923965 BYEIRNLDWSEZEN-SREVYHEPSA-N 354.313 2.768 0 1 FFAF CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)NCCc2c1c(C(C)C)nn2C 962920310 RMJSOCRFXLTQPG-IBGZPJMESA-N 363.408 2.774 0 1 FFAF C[C@]1(c2nccc3cc4c(cc23)OCO4)O[C@H](O)c2c1ccc1c2OCO1 1857634479 XSKSWXVBZOKSJK-PMACEKPBSA-N 365.341 2.977 0 1 FFAF CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356348765 FABFALSQMFMAOA-FRTACKCFSA-N 364.482 2.519 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CC3)c(C)c2c1 2459872 OCPQABBHVLAMOM-UHFFFAOYSA-N 350.440 2.664 0 3 FFAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@H]2[C@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]13O 2356366842 RJRXULCIAXWXHS-NZNOMHEDSA-N 366.505 2.940 0 1 FFAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2Cl)s1 103284972 BIBXOLJIONCAKX-QMMMGPOBSA-N 368.827 2.539 0 1 FFAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@]3(C)C(C)=CCC[C@H]23)C(=O)O1 2356664768 HVBPDPAZGSLRKM-HAIDTDBPSA-N 364.482 2.963 0 1 FFAF O=S1(=O)c2ccccc2O[C@@H](COCc2ccccc2)CN1C1CC1 61944818 QJYMAXMWWWKACA-QGZVFWFLSA-N 359.447 2.818 0 3 FFAF CN1CC[C@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 219765235 HCXROKMNZVAASZ-GFCCVEGCSA-N 368.416 2.837 0 1 FFAF CCOC(=O)C1=CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl 40392806 BQIJDYGILSBNPU-CYBMUJFWSA-N 361.822 2.799 0 1 FFAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3cccs3)ncnc21 82221641 YDSIIGIHUARFSY-UHFFFAOYSA-N 358.471 2.759 0 1 FFAF CN(c1ccc(C#N)c(Cl)n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143215076 WOZZMXCGKQEFCZ-GFCCVEGCSA-N 353.817 2.593 0 1 FFAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCCC1 95867941 QPONTDNTLBLAOA-NJDAHSKKSA-N 354.494 2.977 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCOC(C)=O)c1)CC2=O 587476235 QRTBCTFCUUEWPX-SFHVURJKSA-N 358.394 2.811 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(C)c1 587862991 OSRLWFDGPTYCJR-UHFFFAOYSA-N 350.300 3.000 0 1 FFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2N1 587125648 SHIYNKBEZRFIOB-RDDDGLTNSA-N 364.331 2.833 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587231393 NWIXAVSALIWIGC-NXEZZACHSA-N 354.813 2.787 0 1 FFAF COC(=O)CC[C@@]1(c2ccc(OC)cc2)NCCc2nc3ccccn3c21 962987486 MPEUTXJENPVTOO-NRFANRHFSA-N 365.433 2.685 0 1 FFAF Cc1cc(C(=O)O)nn1Cc1cc(N)cc2sc(N3CC=CCC3)nc12 1772641954 KAUQHCIEJTVBHY-UHFFFAOYSA-N 369.450 2.896 0 1 FFAF COc1cc2nc(N(C)C3CC3)nc(NC3CCN(C)CC3)c2cc1OC 1772614529 LNLYAENQQBUQGQ-UHFFFAOYSA-N 371.485 2.752 0 1 FFAF CN(CCc1ccccc1)[C@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 12725768 JFTFVUCMFSVJDT-HNNXBMFYSA-N 364.433 2.517 0 3 FFAF CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)/C(=C(/O)OC)C(C)=N2 13837528 YSXVYXGZUZSTKR-IEMQHYRPSA-N 358.423 2.931 0 1 FFAF CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 19867337 GGAYKOPTOLHDON-WJFTUGDTSA-N 370.534 2.599 0 1 FFAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)CO 206128523 JFPAPEWMALRQMQ-SNVBAGLBSA-N 365.437 2.921 0 1 FFAF COc1ccc(NS(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 1857559823 UOXBBISZFWBLOD-UHFFFAOYSA-N 367.515 2.548 0 1 FFAF COC1=CC(=O)O[C@H](c2coc(C(=Cc3ccc(Cl)[nH]3)CO)n2)[C@@H]1C 2356409119 ZFKNRTLKFAAYBN-ABKXIKBNSA-N 364.785 2.953 0 1 FFAF CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccccc3)C(=N)[C@@]21C 6499905 YQEVXXRWMUCPGN-NRFANRHFSA-N 358.401 2.880 0 1 FFAF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1O 28825541 QKLBZUPEFOPJFB-CYBMUJFWSA-N 358.394 2.865 0 1 FFAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@@H](OC(C)=O)CC[C@]2(C)c2ccccc21 2356490965 ARQVUVIODPKUNS-IWMITWMQSA-N 372.417 2.789 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(C)=O)CC(C)=CCC1 2356571375 PMYTWBUCBFNKSN-GQAVTEOGSA-N 350.411 2.716 0 1 FFAF C[C@@H]1CC[C@H]([C@H](C)CC[C@H](O)[C@](C)(O)CO)c2cc(C(=O)O)cc(O)c21 2356849253 PUHUHJOKQKBQHX-SJAMFFBWSA-N 366.454 2.592 0 1 FFAF C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(C#N)c2)c1 219147190 PBAUCHUJIWKNMU-CYBMUJFWSA-N 361.401 2.687 0 1 FFAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCNC(C)=O 82185977 FXUCHRUFIGHDHZ-UHFFFAOYSA-N 370.432 2.666 0 1 FFAF CC[C@@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4c(OC)cccc4[C@@]12CC3 85975328 WBKBNNAWNPDPHB-MEBMYTRCSA-N 354.450 2.920 0 1 FFAF CN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCCC2)CC1 45369819 WDLCISHIIHRLLT-UHFFFAOYSA-N 352.486 2.671 0 1 FFAF CC(=O)N(C)CCOc1cnc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144835400 RIKUJZDSSCNABB-KRWDZBQOSA-N 366.339 2.717 0 1 FFAF COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)nn1-c1ccccc1F 587156337 LMORXFGHUOZHSG-UHFFFAOYSA-N 351.341 2.662 0 1 FFAF COc1cc(-c2nc3ccnc(OC)c3[nH]2)ccc1OCC(=O)NC(C)C 587219506 CKJNUJBCRXMQHZ-UHFFFAOYSA-N 370.409 2.546 0 1 FFAF 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C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 768759 RLBFVBUAFZKKKZ-PXNSSMCTSA-N 372.852 2.800 0 1 FFAF O=c1oc2cccnc2n1CCCCN1CCN(c2ccccc2)CC1 1855833 GCOPOUOKRHYMGX-UHFFFAOYSA-N 352.438 2.592 0 1 FFAF COc1ccc(F)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 101444621 RMYJHKWCNASDMS-ZACQAIPSSA-N 362.445 2.739 0 1 FFAF CC(C)C(=O)OCn1c([S@@](=O)Cc2ccccn2)nc2ccccc21 26006398 FMCBCCHPAFLSNR-RUZDIDTESA-N 357.435 2.896 0 1 FFAF COC(=O)[C@@H]1C[C@@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@H]2OC)[C@H]31 2356420266 URDXZVLEWZYTSQ-ZJHVPRRPSA-N 368.477 2.555 0 1 FFAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H](O)[C@]1(O)C2=O 2356505776 PEWPCEZVXROTHG-PSSPQXCJSA-N 350.411 2.553 0 1 FFAF CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71296375 ILCARDBCXRGHLG-UHFFFAOYSA-N 361.405 2.680 0 1 FFAF CNC(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 45298760 KZLKGXVYAZMFKX-UHFFFAOYSA-N 351.765 2.974 0 1 FFAF CC[C@@H](C)c1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231322 DDSRGJWSBKGMMI-CQSZACIVSA-N 352.438 2.831 0 1 FFAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(F)cc(F)c1 40411440 OIRRGRCNHDTHQG-UHFFFAOYSA-N 362.357 2.974 0 1 FFAF CCCOc1nccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 142349689 DAMVPXCYUOTXLW-AWEZNQCLSA-N 370.453 2.730 0 1 FFAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=C[C@@H]1O[C@@H]21 238758373 ZTYBQWLDCYNQKE-IDCJVQTKSA-N 350.326 2.868 0 1 FFAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@H]3N2C)o1 263591817 AQODJJSXRAHXIU-BVGQSLNGSA-N 350.422 2.629 0 3 FFAF Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cc(C)no3)c3ccccc32)on1 299865461 TXRDEJJUHKVHIP-OQLLNIDSSA-N 364.361 2.848 0 1 FFAF Nc1nc(O)c2nc(SCc3ccc(Br)cc3)[nH]c2n1 653858598 CQTLYQRZHQFOAJ-UHFFFAOYSA-N 352.217 2.696 0 1 FFAF NS(=O)(=O)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587108451 QNTMPNKYKQQBFX-UHFFFAOYSA-N 355.341 2.820 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(C(=O)O)N1 587827965 MVPNVFRPBJOUCI-GLEZIHRCSA-N 374.206 2.657 0 1 FFAF COc1c(F)cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1F 587133859 DZTDCAKTNMHLJB-UHFFFAOYSA-N 367.377 2.767 0 1 FFAF COc1ncc(F)c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868290 JNIVXKZEDUQXPC-UHFFFAOYSA-N 369.278 2.899 0 1 FFAF CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)(C)C 587204776 LIXHWNBLSMTGRP-MRVPVSSYSA-N 368.869 2.852 0 1 FFAF Cc1[nH]c2c(C)cccc2c(=O)c1CCc1ccc2c(O)nc(O)nc2n1 587553627 CSYGAFQAGFREGP-UHFFFAOYSA-N 362.389 2.680 0 1 FFAF CN(CCO)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334127 HLKCLRNVCLALEV-QUCCMNQESA-N 359.397 2.573 0 1 FFAF CC(=O)Nc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 1772622552 ILWPUMUQJZDDAZ-CQSZACIVSA-N 355.442 2.825 0 1 FFAF CCCCOc1cccc(CCN(CCCOC)CC(=O)N(C)C)c1 1772580766 CBSIWSNAMMQBDM-UHFFFAOYSA-N 350.503 2.835 0 1 FFAF COc1ccc(C2=NN(CCN(C)C)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474090 XBAAJWHLDYXCQR-JKSUJKDBSA-N 359.470 2.618 0 1 FFAF CCc1c(OC)nc2nc(-c3noc(C)n3)c(Br)n2c1C 13822383 FWDYRPKITUPZOU-UHFFFAOYSA-N 352.192 2.730 0 1 FFAF COc1ccc(CNC(=O)N2CCc3cnc(NC(C)C)nc3C2)cc1 169331604 SJYPKPGWBGKXLM-UHFFFAOYSA-N 355.442 2.573 0 1 FFAF 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COC(=O)c1ccnc2[nH]c(-c3sc(Br)nc3C)nc12 587012555 ZEHWOPLEKUMGPE-UHFFFAOYSA-N 353.201 2.939 0 1 FFAF NC(=O)C[C@@]1(C(=O)O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508912 GINAJRILUILGFN-NHCUHLMSSA-N 371.433 2.790 0 1 FFAF CN1/C(=C/C=C2/C=c3ccccc3=N2)C=C(N2CCOCC2)c2ccccc21 1772621333 BTDVKDAIQDCWJD-DIEJBQTFSA-N 369.468 2.691 0 1 FFAF N[C@@H](CCc1ccccc1)[P@@](=O)(O)C[C@@H](Nc1ccccc1)C(=O)O 169364910 PWMZFDAURAUTAR-IAGOWNOFSA-N 362.366 2.740 0 1 FFAF COc1cc(-c2nnnn2-c2nc3ccccc3s2)cc(OC)c1OC 1857558140 MSWSIDNNYNTXKU-UHFFFAOYSA-N 369.406 2.965 0 1 FFAF Cc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857631143 ZRWAOZKJVCOIFW-OAHLLOKOSA-N 353.330 2.505 0 1 FFAF CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)C=C[C@@H]1C 253986578 NULFXNYRJYPFQC-MVJTYMMSSA-N 362.422 2.515 0 1 FFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)c(OC)c1 4296318 QRURMBYSACLCCZ-HKUYNNGSSA-N 354.406 2.884 0 1 FFAF OC[C@@H]1[C@H](O)C[C@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289667 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COc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2OC)ccc1O 14436909 KTHMSMULCFSZJB-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic O=C1CN(S(=O)(=O)c2c(F)cccc2F)c2cc(Cl)ccc2N1 43021398 UPQSOGSAYZRTAR-UHFFFAOYSA-N 358.753 2.766 0 1 FFAF NCCNCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 45384500 DWELCWABARCYCU-UHFFFAOYSA-N 356.429 2.627 0 1 FFAF COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2 49033979 XZTRSBKCRFMSHO-UHFFFAOYSA-N 360.215 2.710 0 1 FFAF COCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 82147307 SEIHRQSDOHOBER-UHFFFAOYSA-N 356.470 2.920 0 1 FFAF COC(=O)C1=C(C(=O)OC)[C@H]2CCC[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]12 263591073 VJUBMAIKLRQXPC-UTJXIGIESA-N 355.394 2.684 0 3 FFAF O=C(NCCCCNC(=O)N(O)c1ccccc1)N(O)c1ccccc1 68586834 UJBZFILZWZCXME-UHFFFAOYSA-N 358.398 2.977 0 1 FFAF biogenic CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(CO)cc(C(=O)O)c1 653699286 YVNPWSQKUMTVFG-UHFFFAOYSA-N 357.362 2.731 0 1 FFAF COc1ccc(NC(C)(C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587201630 UMARWGFSCOURPR-UHFFFAOYSA-N 360.439 2.566 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCN(C[C@H]4CCCO4)C[C@@H]1C)[C@@H](C2)C3=O 587437616 KLOZAGCTECZCKQ-IRYHUZONSA-N 357.450 2.702 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(COCCN(C(=O)OC(C)(C)C)C1)O2 587398413 GLSBRJOZWHQYQW-IBGZPJMESA-N 362.426 2.549 0 1 FFAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCC1 587568357 BVLRYDUPFHKOGO-SJORKVTESA-N 353.374 2.639 0 1 FFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(I)cnc2[nH]1 587961910 HETDWMRBXMNKEQ-HTQZYQBOSA-N 355.179 2.720 0 1 FFAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1COc2ncccc21 1772617865 XCXPKEUZIQGOOP-LLVKDONJSA-N 356.275 2.912 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 13153507 FDKJSJGIAQCACZ-VOSWSFSHSA-N 365.429 2.652 0 1 FFAF Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1O)OCO3)CO2 13485150 RJAHLRAHCUGZCD-LLVKDONJSA-N 358.346 2.583 0 1 FFAF biogenic Nc1ncc2c(n1)CCN(c1cccc(C(=O)NCC3CCCCC3)c1)C2 169710056 XIHVNZWEKSOACP-UHFFFAOYSA-N 365.481 2.932 0 1 FFAF O=S(=O)(Nc1ncns1)c1ccc2c([C@H]3CCCN3)cccc2c1 206154578 PCUWMZYNNCGGNP-OAHLLOKOSA-N 360.464 2.917 0 1 FFAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1COc2ncccc21 205613726 UCBFJVRADZPIPD-TZMCWYRMSA-N 353.205 2.714 0 1 FFAF NCCC[C@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1857566984 QJJNRTKUIOIRLC-NRFANRHFSA-N 353.510 2.803 0 1 FFAF Cc1sc([C@H]2CCCN2C(=O)CCN)cc1C(=O)Nc1nccs1 1857656221 UMMZOONDVIULII-GFCCVEGCSA-N 364.496 2.778 0 1 FFAF O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCCC1=CCCCC1 2460803 HRWYTQJKCVEOSZ-UHFFFAOYSA-N 361.467 2.538 0 1 FFAF CC[C@@H]1C[C@@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103216398 VYJIHRXBVYCXJP-TZMCWYRMSA-N 354.838 2.995 0 1 FFAF CCOC(=O)c1c(NC(=O)N2CCSC2)sc2c1CCN(CC)C2 29559554 VUPAVMUNGLSDEL-UHFFFAOYSA-N 369.512 2.841 0 1 FFAF Nc1ccc2c(c1)CN(C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C2 140144593 QGYXWORQNVVUAL-MRXNPFEDSA-N 350.249 2.988 0 1 FFAF CC(C)(C)c1ccc(CSc2nc(O)c/c(=N\S(C)(=O)=O)[nH]2)cc1 73167692 QLIFNLQTPLFIEO-UHFFFAOYSA-N 367.496 2.565 0 1 FFAF COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=N)N)cc1 40766685 HCSWWEQONZOSDJ-LPHOPBHVSA-N 350.422 2.921 0 1 FFAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C=O)CC2)OCO4 14612189 VYUJQWBAAMYCTH-CQSZACIVSA-N 353.374 2.711 0 1 FFAF biogenic CC(C)(C)OC(=O)N[C@H](CCCOC(=O)Cc1ccccc1)C(=O)O 95068024 QRGFXTJNERDWMN-CQSZACIVSA-N 351.399 2.530 0 1 FFAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 253952031 WSFPEOPUUJFNEF-FNAHDJPLSA-N 371.569 2.967 0 1 FFAF O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O)N1CCC1 653667303 QQMKDSHSGYQMOV-UHFFFAOYSA-N 352.390 2.537 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 586931051 SYJLTTWJQZFSBI-UHFFFAOYSA-N 373.434 2.959 0 1 FFAF O=C(c1cncc(Br)c1)n1ncc2ccc(Cl)cc2c1=O 587650899 HFLNMPUIQJRMLO-UHFFFAOYSA-N 364.586 2.896 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N(C)C)O2 587387872 UBGXLQYUTXMUAW-GOSISDBHSA-N 354.406 2.751 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccn2C)N1 587757389 VHZMFKPXIASSEC-FVMDXXJSSA-N 367.218 2.789 0 1 FFAF CNS(=O)(=O)c1cc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n(C)c1 586946549 AELURBSSDUFZDZ-UHFFFAOYSA-N 359.238 2.783 0 1 FFAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@@H](C)C(=O)O 587517865 WKPWQMVTKBLARW-YEJXKQKISA-N 369.417 2.879 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(Cl)ncc3[nH]2)s1 587024297 TWLNIQJUKUDOOW-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF O=C1C[C@@H](CCCNS(=O)(=O)C2CC2)Oc2c1ccc1c2CCCC1 587533747 VDUDIDVYLPXLCV-CQSZACIVSA-N 363.479 2.761 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(OC)cc2[nH]1)C(C)C 586932714 IVJWAXMGKKIYLG-INIZCTEOSA-N 369.487 2.997 0 1 FFAF CCOC(=O)c1c([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cnn1C 962618273 CAZGSVRRFVHXAY-YVEFUNNKSA-N 373.453 2.580 0 1 FFAF COc1ncccc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142008181 HUHNJZDIQNMLIE-HOCLYGCPSA-N 361.467 2.589 0 1 FFAF COCCNc1nc(N(C)CCc2c[nH]c3ccccc23)[nH]c2ncnc1-2 1857561813 RKZIKCQDAZGZGN-UHFFFAOYSA-N 365.441 2.523 0 1 FFAF CO[C@H](CO)CCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 2356353124 IORUILAZBKZNSR-TUFLPTIASA-N 362.510 2.883 0 1 FFAF COc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)o2)cc1 3959529 HOFMNTAMKYMTOV-UHFFFAOYSA-N 363.373 2.958 0 3 FFAF COc1ccccc1N1C(=O)N(C(C)=O)[C@@H]2[C@@H]1Nc1ccccc1N2C 4982058 BEKBGNHWZFKNBX-QZTJIDSGSA-N 352.394 2.698 0 3 FFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1 2356298042 OVLJPFVDUKLKNT-UXLLHSPISA-N 350.532 2.922 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)NC(=O)c1ccccc1OCC1CC1)C2 100659450 VFRIHPWRNNTKEX-MUJYYYPQSA-N 357.454 2.540 0 1 FFAF Cc1noc(C)c1Cn1cc(NC(=O)c2cccc3c2OCCO3)cn1 116774966 DXKUBOSYODCJQA-UHFFFAOYSA-N 354.366 2.560 0 1 FFAF O=C(O)CC(=O)N[C@@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26508105 OOAVQQRJDWPIDS-MSOLQXFVSA-N 369.417 2.522 0 1 FFAF CN(Cc1ccc2c(c1)OCO2)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23159495 GECBGXRSEHGHPN-RTWAWAEBSA-N 366.461 2.584 0 1 FFAF CC1=CCC[C@](C)(O)[C@H](O)C[C@H]2CC[C@@](C)(OC(=O)[C@H]2C)[C@@H](O)CC1 2356615653 JYRNLNBXLZDLIM-FPMBYBGASA-N 354.487 2.718 0 1 FFAF COc1c(OC)c([S@@](C)=S)c2c(c1N(C)C)CCS[C@@H]2OC 2356813053 CCTXITJLTQGQNC-OYHNWAKOSA-N 361.554 2.773 0 1 FFAF CCCCCC(=O)NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26500134 QEOKIVRIMGTLBP-HNNXBMFYSA-N 364.467 2.656 0 1 FFAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@H](O)[C@@]2(C)O)[C@]1(C)CC(=O)c1ccoc1 2356873455 YGVSZJJKFQFKBE-WBOARUNQSA-N 350.455 2.788 0 1 FFAF COCCN/C=C1\C(=O)N(C)c2ccccc2N(c2cccs2)C1=O 66264061 OJQCEVFBNSWILC-OUKQBFOZSA-N 357.435 2.509 0 1 FFAF COC[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1cc(F)ccn1 219747321 FEPNIIUXPAZRRZ-OAHLLOKOSA-N 370.388 2.879 0 1 FFAF O=C(C1CC1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185897 NIVIKHPRHCBYML-LJQANCHMSA-N 372.419 2.835 0 1 FFAF COc1c(O)cc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](CC2)NCC3 14645583 QOKTUZPLWRGZSC-LBPRGKRZSA-N 357.406 2.924 0 1 FFAF biogenic CCc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)o1 143013746 DVGGXFSYSJVJMJ-UHFFFAOYSA-N 350.334 2.636 0 1 FFAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1 95572179 AFQDPNHISVHDMI-UHFFFAOYSA-N 373.409 2.944 0 1 FFAF CN1C[C@H]2C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1C2 141756442 XXWOCVWJOICKHA-AHRSYUTCSA-N 351.446 2.948 0 1 FFAF CO[C@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@H]1O 238743152 KVGCXSKAIUCSKN-DBLBYYFGSA-N 350.370 2.624 0 1 FFAF O=C(Nc1ccc(F)cn1)c1ccc([S@](=O)Cc2ccccc2O)nc1 261095938 FJTQRQBKDUZJSQ-AREMUKBSSA-N 371.393 2.881 0 1 FFAF COc1ccc(C)cc1NCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 587229276 UBZCLIFEUVSKHQ-UHFFFAOYSA-N 363.425 2.900 0 1 FFAF COC(=O)c1cccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 586978840 KGDVYBHBWBVWJF-UHFFFAOYSA-N 363.215 2.974 0 1 FFAF CC1=C(c2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586901296 GQPWKCKNTBHBAY-MAUKXSAKSA-N 360.417 2.887 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](CCCNS(=O)(=O)C1CC1)CC2=O 587482783 DSQWAMCYTSLMRP-LBPRGKRZSA-N 367.467 2.541 0 1 FFAF COc1cc(-c2nc3cncc(OC)c3[nH]2)ccc1OCC(=O)NC(C)C 587222396 JRPXREWQBRDQLL-UHFFFAOYSA-N 370.409 2.546 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@H]3C(=O)O 587206042 GQXRYTFSHAUQNA-SJKOYZFVSA-N 359.337 2.871 0 1 FFAF Clc1ccc2c(c1)CCN[C@@H]2c1cnc(Cl)nc1N1CCOCC1 963381182 RCGJYHNJSKZKBQ-HNNXBMFYSA-N 365.264 2.855 0 1 FFAF C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)[C@@H]2CC2(F)F)ccc1F 169702979 PUJNNEOQOMQHHE-NZVBXONLSA-N 359.323 2.708 0 1 FFAF C[C@H]1CCCCN1CCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 2464931 CMCMCIBIOLOFFU-HNNXBMFYSA-N 374.481 2.800 0 1 FFAF Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@H](C)C(=O)O)c(C)c3cc2c1C 6167298 CSXJKVDDBBBNAF-LLVKDONJSA-N 371.389 2.905 0 1 FFAF biogenic CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccccc2)=N1 101368745 AAUAVNGRJHAKQT-GOEBONIOSA-N 360.369 2.643 0 1 FFAF NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nc([C@@H](O)CO)c1 114592851 MEHAWPOUCOQHSN-IBGZPJMESA-N 368.364 2.805 0 1 FFAF COc1cc(OC)c2c(c1)OC[C@]1(Cc3ccc(OC)c(OC)c31)C2=O 2356497276 JGJJZNQODHHEPB-FQEVSTJZSA-N 356.374 2.790 0 1 FFAF OC[C@@H]1CN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CCO1 34836634 JROIOLKNLAZRTG-HNNXBMFYSA-N 369.450 2.541 0 1 FFAF O=C(NCN1CCC(c2cccc[n+]2[O-])CC1)c1ccc(F)c(Cl)c1 38149980 ZVSOWMNNIZXYIX-UHFFFAOYSA-N 363.820 2.679 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C(=O)O)C(C)C)ncc23)ccn1 219758206 WTFRYDBOWVNTIH-HNNXBMFYSA-N 368.397 2.559 0 1 FFAF COc1cc2oc(-c3cc(O)ccc3O)c(OC)c(=O)c2c(OC)c1O 14436548 QPEFETDJDXCFIO-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 143092887 NAZNYMOZTIULTD-UHFFFAOYSA-N 370.284 2.733 0 1 FFAF O=C(NCCCCNC(=O)c1cc(-c2cccs2)on1)c1cccnc1 473087483 KGOPZSDITLVNTB-UHFFFAOYSA-N 370.434 2.738 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587802930 ONGVYYCXYNLKMY-WPPNPWJKSA-N 368.206 2.722 0 1 FFAF CN1CCN(c2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)CC1 587154004 ITXYVRGSJKNSRL-IIBYNOLFSA-N 365.456 2.795 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(C)cc2[nH]1 587567147 FIYPGPNFDGNNRN-UHFFFAOYSA-N 364.442 2.799 0 1 FFAF Oc1nc(O)c2ccc(-c3ccccc3I)nc2n1 587369523 KDFAHQHVBCHSNW-UHFFFAOYSA-N 365.130 2.708 0 1 FFAF COC(=O)CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513605 JPJAFCGBAVGYFC-UHFFFAOYSA-N 357.450 2.928 0 1 FFAF COc1ccc2c(c1)[C@@H](C1CCN(S(C)(=O)=O)CC1)N(C(C)C)CC2 962085895 BAOUKGUONKVYOD-LJQANCHMSA-N 366.527 2.674 0 1 FFAF CC(=O)N1CC[C@H](Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)C1 1772636174 WPFLVSFRUISTGP-ZDUSSCGKSA-N 357.435 2.895 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@H](C)[C@@H]21 15058647 OHMAVTDVTQMMMR-FRABFXTMSA-N 350.411 2.714 0 1 FFAF endogenous,in-man OCc1cc([C@H](O)CNCCc2ccc(Br)cc2)ccc1O 169350770 VWWJBLDOSAHQNF-QGZVFWFLSA-N 366.255 2.513 0 1 FFAF C[C@@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@H]1C(=O)O 169718080 LVYRKTPGSHTFQA-FFTROKDMSA-N 363.464 2.936 0 1 FFAF COc1cccc2c1[C@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 201362321 WWJVUMDJLROGLA-VFNWGFHPSA-N 360.498 2.672 0 1 FFAF COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC 1330311 SVNNMOMOSVWSTI-UHFFFAOYSA-N 367.409 2.613 0 3 FFAF Cc1cc(C)n(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 3209465 MXDDUMHXOMXCTO-OAHLLOKOSA-N 367.858 2.647 0 3 FFAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CC1 22940491 PZEMCHUXUQMTTJ-QHCPKHFHSA-N 364.489 2.671 0 1 FFAF COc1c(C)c2c(c(OC(C)=O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 28824027 TUJRTZFYNVKYNJ-BJMVGYQFSA-N 362.378 2.953 0 1 FFAF NC(=O)c1cc(-c2ccnc(N)n2)n(CC(F)(F)F)c1-c1ccccc1 64526661 YVDWPGZYUVCUCC-UHFFFAOYSA-N 361.327 2.856 0 1 FFAF CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 61895759 ZBUZTGFOEJEKJI-FQEVSTJZSA-N 357.454 2.715 0 3 FFAF COCCn1cnc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc21 74388500 RDDOINOPSUUXSV-UHFFFAOYSA-N 358.398 2.847 0 3 FFAF CCCc1nc2c(NCc3cccs3)ncnc2n1CCNC(C)=O 82178648 JJRCCBYRLUPDDS-UHFFFAOYSA-N 358.471 2.589 0 1 FFAF NC(=O)COc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144830071 RVQUDFMXBAJCML-OAHLLOKOSA-N 357.715 2.983 0 1 FFAF C=CS(=O)(=O)N1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 618017322 JFTKSAYEBRJCJS-UHFFFAOYSA-N 367.858 2.586 0 1 FFAF Cc1c(Br)cnc2[nH]c(CSc3cccc[n+]3[O-])nc12 586969871 PHQNUMQZWOTGGU-UHFFFAOYSA-N 351.229 2.955 0 1 FFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 587125042 OYVFVKBGSYNSFD-INWYIAFRSA-N 351.336 2.898 0 1 FFAF Cc1onc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1COc1ccc(Cl)cc1 587076909 ZYNXMOABYFCYLJ-UHFFFAOYSA-N 372.772 2.667 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586930641 UOSBHFQEVHMUSU-UHFFFAOYSA-N 359.304 2.575 0 1 FFAF Cc1cnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 587114426 SUPBFOPYTITYFH-UHFFFAOYSA-N 359.315 2.987 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)NCC3 14639585 AGLNIXNXUCXLBV-GFCCVEGCSA-N 357.406 2.837 0 1 FFAF biogenic Cc1cccc(CN2CCC[C@@](O)(CN3CCc4ccccc4C3)C2=O)c1 19795044 OTUXOWFFWOIXKM-HSZRJFAPSA-N 364.489 2.907 0 1 FFAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccco2)cc1OC 169729709 XKEVFYBJHFXTIW-SJORKVTESA-N 372.377 2.882 0 1 FFAF O=S1(=O)C[C@@H](NCCOc2cc(F)ccc2Cl)c2ccccc21 1857538618 JMAUWUFFXWPTFE-CQSZACIVSA-N 355.818 2.976 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(NC(=O)CCN)cc3n2)cc1Cl 1857620613 SICUUSLPZLLBHH-UHFFFAOYSA-N 374.828 2.959 0 1 FFAF C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O 6443165 DSNGQFFZCBJQKE-RQJHMYQMSA-N 350.626 2.740 0 1 FFAF CCN1CCCCCCC[C@@H](NC(=O)c2cc3[nH]nnc3cc2OC)C1 26151352 KFPRPCFGUGLTDN-CQSZACIVSA-N 359.474 2.741 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@@H](c2ccccc2)C[C@@H]3[C@H]1C5 26838089 ZLDWSBNUJAMVSC-NYCMXOJFSA-N 363.457 2.816 0 1 FFAF O=C(C[C@H]1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 29333567 TYBZEBVMVZUEQE-CQSZACIVSA-N 369.808 2.859 0 1 FFAF O[C@@H](c1ccccc1)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 64527325 HHWGAUPNJVJTKG-BTYIYWSLSA-N 359.433 2.556 0 1 FFAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(Cl)ccc21 45315182 NLMLWNQVPDVGOC-UHFFFAOYSA-N 369.745 2.991 0 1 FFAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)[C@H]3C2=O)cc1 25410430 UCYUMKBMYOESES-DLBZAZTESA-N 355.438 2.601 0 1 FFAF biogenic COCC(=O)N(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894845 NNDLDBAPAQCFGH-VWPQPMDRSA-N 372.509 2.554 0 1 FFAF CNS(=O)(=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 95595100 HAVXJGIRCXJSBU-UHFFFAOYSA-N 356.766 2.667 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4CC[C@H]3CN4)cc21 253636948 XRSXCUKNZCMZCH-NEPJUHHUSA-N 373.428 2.534 0 1 FFAF CCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 263590268 FSDCDWJOEWACKS-ROUUACIJSA-N 356.447 2.673 0 3 FFAF O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@@H]2CCCC[C@H]12 618014224 OGVOASAFRGUXJR-WDEREUQCSA-N 356.451 2.754 0 1 FFAF NC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccccc3)CC1)C2 473109478 SBMWFEAZZKPUOY-UHFFFAOYSA-N 363.461 2.654 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(F)CCOC2=O)N1 587722533 SHDGFLQHYIFMFU-YIUPMNOESA-N 360.198 2.993 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cnc3[nH]2)cc1 587229035 ZDCIRZZYTONFKT-UHFFFAOYSA-N 357.345 2.595 0 1 FFAF Cc1nn(C)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661557 QFEFHICTOVPFJE-UHFFFAOYSA-N 362.364 2.933 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCNC2=O)N1 587790370 CNUAPJVVAZDFDX-RDGWCUKFSA-N 355.251 2.864 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 587106103 IEARJBAZFKBQSB-XBHMSOGKSA-N 356.381 2.759 0 1 FFAF COc1ccc([C@H](O)[C@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 587936419 LBONCFPYVBSOCS-QPUJVOFHSA-N 363.215 2.913 0 1 FFAF Nc1ccnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 587143984 GSHAGIXUUOROHB-NSHDSACASA-N 350.195 2.684 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCNC4=O)c1)[C@@H](C2)C3=O 587440815 BVRINQMSLKOPLI-KKSFZXQISA-N 364.401 2.888 0 1 FFAF COC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2n1 587174409 IZOZAZYZQBVXFQ-GFCCVEGCSA-N 353.357 2.607 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccnc(O)c3[nH]2)cc1 587040092 JPSPSXFLYLILSX-CQSZACIVSA-N 370.434 2.950 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1ccc(-n3ccnc3C)cc1)N[C@H](C(=O)O)C2 963489528 HNEFSDYFHIGYNA-FXAWDEMLSA-N 363.417 2.883 0 1 FFAF C[C@]1(C[C@H](O)c2ccccn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963240924 ZZAWSAPCZGYZBZ-SVFBPWRDSA-N 363.417 2.568 0 1 FFAF Cc1ccc2c(CC(=O)O)c(C)n(Cc3ccc(S(C)(=O)=O)cc3)c2n1 1772638421 NPOCFSXGYJJYTJ-UHFFFAOYSA-N 372.446 2.732 0 1 FFAF CC(C)CCOc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1-n1ccnn1 1857601387 NJEHLTOYEFHGRK-UHFFFAOYSA-N 369.381 2.553 0 1 FFAF N=C(N)c1ccc2nc(CCCCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1 5974296 SNNSTIDDSQUDDO-UHFFFAOYSA-N 374.452 2.573 0 1 FFAF O=C(N[C@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 3781353 BDVFAVBKAXMDIW-RBUKOAKNSA-N 374.396 2.686 0 1 FFAF O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 59281574 UIPQDOWYNRWNGN-MDVLYUJXSA-N 368.341 2.746 0 1 FFAF C[C@@H](O)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([C@@H](C)O)C3)cc2)C1 29550062 KNEWNBNAHYOQNG-MCEIDBOGSA-N 360.542 2.872 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3[C@@H](O)[C@@H]3CCC(=O)N32)OCO4)cc1 105526181 MREHBXFNHVGEBG-CWFSZBLJSA-N 353.374 2.551 0 1 FFAF COc1cc(CCC(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O 103221421 MQTQTYNXVBXXBT-UHFFFAOYSA-N 354.406 2.879 0 1 FFAF Cc1nn([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 20416734 RGBFTQMMGMUVDU-BZPMIXESSA-N 356.426 2.807 0 1 FFAF N#Cc1ccc(N2C(=O)OC[C@@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F 115763789 LPHQOQIPNPHGQA-ZJUUUORDSA-N 354.206 2.825 0 1 FFAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1Br 61902287 LGNHSUWHARFYBR-MRXNPFEDSA-N 353.260 2.970 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@@H]1CC=C[C@@]23O 2356607605 NCBODEBWXNRTHV-LVNOUGRESA-N 358.390 2.534 0 1 FFAF O=c1cc(N2CCOCC2)nc2n(Cc3cccc4ccccc34)ccn12 73295824 QWHPGKXSNCLNSL-UHFFFAOYSA-N 360.417 2.534 0 1 FFAF N[C@@H](CC(=O)N1CCC[C@H]1COCC1CC1)Cc1cc(F)c(F)cc1F 43012354 CTPYPSLBYQWSTO-CABCVRRESA-N 370.415 2.781 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 587963427 WBMKBLMAXACVJS-GFCCVEGCSA-N 367.471 2.637 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587490839 RZFXJRNJEKCWKQ-YJZXVRAMSA-N 366.413 2.891 0 1 FFAF Cc1cn(C2CCN(Cc3nccc4ccccc34)CC2)c(=O)nc1O 1772649943 HJZQCTFZGMOWGB-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF Nc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1 1772576692 OJZYXAZTEYEIAX-UHFFFAOYSA-N 361.409 2.934 0 1 FFAF C[C@@H](N[C@@H](Cc1ccc2c(c1)oc1ccccc12)C(=O)O)P(=O)(O)O 13805057 AVUQOEJJLMBSNY-HZMBPMFUSA-N 363.306 2.695 0 1 FFAF O=C(NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1)C1CCOCC1 14885666 KUOADUZTOFNMDT-HNNXBMFYSA-N 356.397 2.734 0 1 FFAF Fc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1OCC(F)(F)F 150040580 GCGOMBVXSHFRKN-ZDUSSCGKSA-N 372.322 2.961 0 1 FFAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@H]12 205217317 PKZFFUSGVFEXHS-DLBZAZTESA-N 374.437 2.866 0 3 FFAF COc1ccc(-c2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857638028 BWVPMFWBUONSEW-XLNTUCKNSA-N 372.442 2.731 0 1 FFAF NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1 1325473 GIVMGTREMWOKEZ-UHFFFAOYSA-N 374.466 2.680 0 3 FFAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(F)c(F)c23)c1 3606711 QVEIURZICSVVJD-UHFFFAOYSA-N 364.373 2.995 0 1 FFAF O=C(c1cnccn1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 3956371 LTDBURLAONUXJT-UHFFFAOYSA-N 350.466 2.995 0 1 FFAF CC(C)(C)n1ncc2c1CCCN([C@H]1[C@H]3CC4C[C@@H]1C[C@@](O)(C4)C3)C2=O 101668594 WBAXTNRSLNUYJC-BBQQRECTSA-N 357.498 2.966 0 1 FFAF CC=C(C)C(=O)O[C@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 2356614383 RRPAUYJABCIHOM-BDJLRTHQSA-N 350.367 2.926 0 1 FFAF Cc1nc2nc(-c3ccccc3)nn2c2c1CCN2CCCN1CCCC1 28007148 LFCDVPXJSCMSCI-UHFFFAOYSA-N 362.481 2.948 0 1 FFAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c(n(C)c5ccccc45)[C@@H]3C[C@H]21 504581642 WJFAYJMSIIWXBX-NLMIBYRWSA-N 368.477 2.658 0 1 FFAF biogenic CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCCCCCC1 7097074 GYJPBJBULRVGNC-UHFFFAOYSA-N 363.414 2.610 0 1 FFAF biogenic Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 36378294 AQODJJSXRAHXIU-MORSLUCNSA-N 350.422 2.629 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2c(n1)N(C(C)C)CN2 49050017 RMSINZVFNDWCCK-OAHLLOKOSA-N 356.474 2.869 0 1 FFAF in-vivo CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2ccccn2)C(=O)O1 40394620 AQBGEPKQGPTWMX-TUOAVLBBSA-N 361.438 2.903 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)O)C(C)C)cs2)c1 82082086 JRRWIUQHMJZATM-AWEZNQCLSA-N 364.423 2.666 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1 257522740 QKXSRJAHTPTJNG-UFWCOKKZSA-N 368.514 2.916 0 1 FFAF endogenous,in-man COc1cccc(CC(=N)NC(=O)c2ccccc2OC2CCNCC2)c1 263621197 WTWXRFGIIFJWMN-UHFFFAOYSA-N 367.449 2.776 0 1 FFAF in-vitro CCn1cc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587432997 UMWQHNIYWCBQNB-VUKGPQMXSA-N 367.449 2.938 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587828603 PCFXVCQOIKZCDL-GAYSLIJSSA-N 366.230 2.914 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587058451 GPMRHDIUVZPPLZ-HNNXBMFYSA-N 365.842 2.548 0 1 FFAF N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOC1 587247352 PWXMOSJGYJCACM-LLVKDONJSA-N 350.138 2.919 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(OC)nc3[nH]2)c1 586929953 DSTKYECJYQRMOT-UHFFFAOYSA-N 360.439 2.664 0 1 FFAF Oc1cccc([C@H](O)c2nc3ccc(I)cc3[nH]2)c1 586891301 OHQGPNJEDAFYEI-ZDUSSCGKSA-N 366.158 2.955 0 1 FFAF C[C@]1(c2cccc(N3CCCC3=O)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962896252 BCFZEQRDPUCSIW-LAUBAEHRSA-N 368.408 2.815 0 1 FFAF CCc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239610 XIVIKCCQGQNPRN-SIKLNZKXSA-N 373.412 2.592 0 1 FFAF CCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 5022374 PXUWZYDSVLVVOV-UHFFFAOYSA-N 357.479 2.825 0 3 FFAF O[C@H]1OC/C(=C\c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 13304214 RQGZJVFHVYJECB-XOQZYAAASA-N 354.358 2.735 0 1 FFAF C[C@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@@H]1C(=O)O 169718079 LVYRKTPGSHTFQA-KPWYMIHSSA-N 363.464 2.936 0 1 FFAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](CO)NC4=O)c2nc1NC1(C)CC1 206091851 BMRHAWSJNXXRJI-OAHLLOKOSA-N 363.421 2.675 0 1 FFAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@H](COC)C(C(=O)O)=C3C1 2356369971 WNXJTFWLHDLHTP-DCIDFSSSSA-N 373.497 2.830 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC 4152395 LTQHZLOFQMWPTR-FNHZYXHNSA-N 372.421 2.657 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356343442 OYPPJMLKAYYWHH-JAYZULETSA-N 368.470 2.545 0 1 FFAF C[C@@H]1[C@H](C(=O)N2C(=O)[C@@H](C)[C@@H]3[C@@H]2CCN3C(=O)OCc2ccccc2)[C@@H]1C 100915857 UOZDCCIXXAQPLF-WHKCWQGWSA-N 370.449 2.673 0 1 FFAF NC(=O)C[C@H]1CC[C@H](c2ccc([C@H]3COc4ncnc(N)c4O3)cc2)CC1 101448023 JDSSVXLSMUEXCV-DVOMOZLQSA-N 368.437 2.721 0 1 FFAF O=C1[C@@H]2OCCC[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 27770080 XFJIIXXCFWUPKK-RXVVDRJESA-N 350.418 2.563 0 1 FFAF CC(C)(C)[S@@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@@H]1CCO 61943243 FDSKTHFLZUWLPV-QYBDOPJKSA-N 374.506 2.598 0 3 FFAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CO)c3ccc4c(c3CN1CC2)OCO4 33652462 QDPATENPRXQNAO-OXJNMPFZSA-N 369.417 2.621 0 1 FFAF O=C(C1CC1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72101042 OXAAIIHJNOSWLO-SFHVURJKSA-N 374.847 2.913 0 1 FFAF CO/C(=C/C(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O 216103668 XLWNJIRNWLVIGU-WPGZCTFGSA-N 372.373 2.590 0 1 FFAF CN1CCN(c2cc(NCc3c(Cl)cccc3Cl)nc(N)n2)CC1 45353703 ICAQZJCLBRKWBG-UHFFFAOYSA-N 367.284 2.730 0 1 FFAF in-vitro CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C)C(=O)c1cc(OC)ccc12 95567387 OTKVZKGXPXGZGA-NQIIRXRSSA-N 351.402 2.879 0 3 FFAF COc1cc2c(cc1O)CCn1c-2cc2cc(OC)c(OC)cc2c1=O 140883077 DCYCGMOMFWLVFL-UHFFFAOYSA-N 353.374 2.956 0 1 FFAF CN(c1c(F)cc(C#N)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143066830 KSHLQLMQDMFRMC-GFCCVEGCSA-N 354.364 2.823 0 1 FFAF F[C@@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 143020437 FVZOEYTXZGRKAW-HNNXBMFYSA-N 351.223 2.920 0 1 FFAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cn1 621431172 XEPLHPDXRVNJRH-QGZVFWFLSA-N 352.390 2.684 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nccs1 299838748 NPKWHQJLLNHDGJ-UHFFFAOYSA-N 356.787 2.566 0 1 FFAF CC(=O)N[C@@H](Cc1nc2cc[nH]c(=N)c2[nH]1)c1ccc(Br)cc1 586984034 BREQPHNWMXBIOE-ZDUSSCGKSA-N 374.242 2.553 0 1 FFAF COc1ncnc(N)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745386 JPNNSOXWCZPWOA-CPFSXVBKSA-N 367.222 2.593 0 1 FFAF N=c1[nH]ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587145007 UKHKSPUUTRBBMC-SNVBAGLBSA-N 350.195 2.515 0 1 FFAF CSc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586935519 IDHMAYSEANDHKL-UHFFFAOYSA-N 350.469 2.967 0 1 FFAF COC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836843 XWUYPKZLANGPBL-ABYOOWDOSA-N 372.234 2.527 0 1 FFAF COC(=O)c1cnc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cn1 961318215 FXNUEXCELVYLGS-HNNXBMFYSA-N 374.238 2.793 0 1 FFAF COC(=O)c1occc1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975688 MMOUJFFFIBLCNX-GWCFXTLKSA-N 371.723 2.686 0 1 FFAF Cn1ccc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 963155862 ZIWWCSFYYVSRHT-CHWSQXEVSA-N 363.439 2.817 0 1 FFAF O[C@H](COc1ccc([C@H]2CCCNC2)cc1)CN1CCc2ccccc2C1 1772577467 HUPUCRUHTCXPRQ-UNMCSNQZSA-N 366.505 2.952 0 1 FFAF CC(C)COc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818330 AITUJCIJLSDPOL-UHFFFAOYSA-N 370.453 2.781 0 1 FFAF Cc1nn(C)c2[nH]c(=O)c(CNCc3cccc(C(F)(F)F)c3)cc12 169336052 YODFFILDKCOURB-UHFFFAOYSA-N 350.344 2.879 0 1 FFAF Nc1nc2c(c(N3C[C@H]4NCCC[C@@H]4C3)n1)CCC[C@@H](c1ccccc1)C2 169362914 VJUGZSKEQACKNI-MBOZVWFJSA-N 363.509 2.910 0 1 FFAF CC1=Nc2nc(-c3ccccc3Cl)nn2[C@H](c2ccccn2)[C@@H]1C(N)=O 169689366 MDUIRKOCSDEHKJ-HUUCEWRRSA-N 366.812 2.790 0 1 FFAF Cc1cccc2cc(C(=O)N3CCN(CCOc4cccnc4)CC3)[nH]c12 205942538 VDOKRNXOPISLCW-UHFFFAOYSA-N 364.449 2.708 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1C[C@@H]1CCCO1 1355879 PVMTWPRKGONUHR-CABCVRRESA-N 366.531 2.903 0 3 FFAF COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(OC)cc1Cl 101747946 JZSBZZLZXMBWTG-LQNCWFGHSA-N 351.786 2.819 0 1 FFAF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ncc(-c3ccc(F)cc3)cn1)CC2 115609497 MCUMBKAFZZGSAU-AWEZNQCLSA-N 371.328 2.618 0 1 FFAF NC(=O)c1cc(-c2nc(N)ncc2Br)[nH]c1-c1ccccc1 64513972 QGHNHPCEODNNEF-UHFFFAOYSA-N 358.199 2.582 0 1 FFAF CC1(C)NC(N)=NC(=N)N1OCCCOc1ccc(Cl)cc1Cl 27305477 OWKNMHLHIATMPQ-UHFFFAOYSA-N 360.245 2.585 0 1 FFAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61927194 BRVBJMLIRPXDME-MRXNPFEDSA-N 358.360 2.964 0 3 FFAF C[C@@H]1CN(c2ncccc2C(=O)N[C@@H]2CCCc3ccccc32)CCN1 39229759 LILMUVFVWQLGNS-DNVCBOLYSA-N 350.466 2.687 0 1 FFAF COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 15148298 ZAVWGRCRKSHIMO-RBUKOAKNSA-N 355.390 2.676 0 1 FFAF biogenic COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@@H](OC)C[C@]321 14440737 FFMDTHAKJBYVEN-ACRUOGEOSA-N 373.449 2.525 0 1 FFAF biogenic CC[C@H](C)C(=O)OC[C@@](O)(COC(=O)C(C)C)c1ccc(C)cc1O 14588676 IHCGYZLHGZMPTF-LIRRHRJNSA-N 352.427 2.677 0 1 FFAF biogenic COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccccc3)c2=O)c1 43070302 QHCUAHHQVNFYCR-UHFFFAOYSA-N 363.417 2.790 0 1 FFAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@@H](F)C4)ccc23)cn1 221609058 IFMQWJXDDVIDOS-OAHLLOKOSA-N 367.428 2.668 0 1 FFAF CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196236 BTFZOSRCWFZWAD-UHFFFAOYSA-N 362.433 2.780 0 1 FFAF COCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1 145979554 CZAXFZMFIGCVEF-UHFFFAOYSA-N 366.405 2.842 0 1 FFAF C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@H]2C[C@H]1[C@]3(CO)C(=O)OC 238772759 RCEFXZXHYFOPIE-PQIWSDSFSA-N 352.434 2.567 0 1 FFAF COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 142009338 QGNJSWIUKGSEON-UHFFFAOYSA-N 374.872 2.791 0 1 FFAF C[C@H]1CC=C[C@H](O)CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299809846 QYXOHVDWSBSNSN-QWRGUYRKSA-N 366.797 2.675 0 1 FFAF CO[C@@H](C)COC1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 587950274 AKDVFUGMWIVRNQ-OPFPJEHXSA-N 356.430 2.616 0 1 FFAF NCCOCCOCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587245487 AIGQMYGGXPVLPG-UHFFFAOYSA-N 367.755 2.649 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(O)cc(O)n1)(C1CC1)O2 587411085 XPCMZVJHJDAIFY-GOSISDBHSA-N 373.434 2.685 0 1 FFAF CCOC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587799658 TZXINRUJMZKLJY-JDNHERCYSA-N 372.234 2.860 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC(C(=O)O)=C2)N1 587832290 JLAKHUUSBSAQFO-ANRSDYALSA-N 354.175 2.830 0 1 FFAF Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO 584904924 CJDCZVBFZVDWJU-XHDPSFHLSA-N 360.410 2.878 0 1 FFAF in-vitro Cc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)no1 962643032 RXGNRFJQDBPMBH-DOMZBBRYSA-N 356.300 2.744 0 1 FFAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@@H]2CC[C@H]1C2 1772656076 WNSXGPQBAOPALL-KGLIPLIRSA-N 363.408 2.950 0 1 FFAF CN1C(NC(=N)N)=NC(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13734199 ODJUKFKDSPPDFS-UVTDQMKNSA-N 371.485 2.639 0 1 FFAF COc1cc(C2=C(c3ccc4c(c3)OCO4)C(=O)OC2)cc(OC)c1OC 1857772291 QGTLTZIQIYKXFB-UHFFFAOYSA-N 370.357 2.909 0 1 FFAF O=C(C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1)C1CCCCC1 27558387 XFPLGZWSRZLHHH-GOSISDBHSA-N 372.465 2.698 0 1 FFAF CNC1(C)CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 27881508 OXGLNYQVKLFOCI-UHFFFAOYSA-N 374.441 2.589 0 1 FFAF CC(C)CNc1cc(NC2CC2)n2ncc(/C=C3\SC(=O)NC3=O)c2n1 117826963 CERNOHHTNQVWNF-XGICHPGQSA-N 372.454 2.695 0 1 FFAF O=C(CN1CCN(Cc2ccco2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22940408 QWMKZVMOICTKIR-JOCHJYFZSA-N 368.477 2.654 0 1 FFAF Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@H]3CCNC3)noc2n1 71995354 FKJSUBIRZCNMKT-ZDUSSCGKSA-N 354.385 2.677 0 1 FFAF Fc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn12 45291288 ASQVLAWCAVGHRV-UHFFFAOYSA-N 364.428 2.645 0 1 FFAF CCCCOCCCNC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 82071960 JZNARICUBOAEND-UHFFFAOYSA-N 373.453 2.703 0 1 FFAF N[C@H]1C[n+]2c([nH]c3cnc(Cl)cc32)C[C@@H]1c1cc(F)c(F)cc1F 139849662 IVRXDZJKHHOTOV-PELKAZGASA-O 353.755 2.588 0 1 FFAF C[C@@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1 40424265 BCCUYXQTHHGUHR-HXUWFJFHSA-N 352.413 2.965 0 1 FFAF CN1C[C@]2(C)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C1=O 40791318 MSXUDKKTDJZLBH-CYBMUJFWSA-N 361.707 2.952 0 1 FFAF O=S(=O)(Nc1ncns1)c1ccc2c(cnn2Cc2ccccc2)c1 142978360 GDYQWESMJPXUHN-UHFFFAOYSA-N 371.447 2.737 0 1 FFAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCCCC2)n1 140062430 DPVUENSEHJVVGA-FMDSYOOTSA-N 355.482 2.741 0 1 FFAF NCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 95581781 UIHTWLPAFBPXMI-UHFFFAOYSA-N 365.794 2.673 0 1 FFAF O=c1cc(N2CCOCC2)nc(NCc2cccc(Cl)c2Cl)[nH]1 95574953 YCOGAHXPHAPPEX-UHFFFAOYSA-N 355.225 2.525 0 1 FFAF COc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1 95579129 DGEATJGDNHUNIL-UHFFFAOYSA-N 370.434 2.773 0 1 FFAF N=C1N[C@]23CC[C@@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1 473136104 XDMHBNONUZHFDP-XYPHTWIQSA-N 365.886 2.649 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C)c(=O)c2)N1 587774178 NGVPASLXVDJMDR-XXFAHNHDSA-N 351.219 2.911 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431095 YRHJFEDDZUPFBE-YXBKCMIMSA-N 359.422 2.600 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797279 VYLVMIHSLDUPEB-ZBVHDKTDSA-N 360.223 2.526 0 1 FFAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O 587400811 OYLRRJXMCOJUMV-HXUWFJFHSA-N 371.389 2.930 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(N)c1Cl 587867636 BNRFZHGFDKPKQH-UHFFFAOYSA-N 370.722 2.987 0 1 FFAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCC1 587568355 BVLRYDUPFHKOGO-IRXDYDNUSA-N 353.374 2.639 0 1 FFAF O=C(O)C[C@@H]1CC[C@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962675978 XHGRAHKOBGVBOY-SKOKVVANSA-N 368.433 2.804 0 1 FFAF COc1cc(C(=O)N[C@@H](CCO)c2ccccc2)ccc1-c1cn[nH]c1 1772617543 FKYWIAWIDUIWFG-SFHVURJKSA-N 351.406 2.939 0 1 FFAF CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2cnc3[nH]ccc3n2)C1 169076507 KYGMSHBHSDBHRQ-CQSZACIVSA-N 350.426 2.751 0 1 FFAF COc1ccccc1[C@H]1c2ccc3cccnc3c2NS(=O)(=O)N1C 205621375 HKEXMHRRVUBFOQ-SFHVURJKSA-N 355.419 2.935 0 1 FFAF Cc1cc(CNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@@H](C)CC4)no1 1857620092 LXQLZSAWRFFLEW-VIFPVBQESA-N 371.368 2.580 0 1 FFAF Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C 1857763409 BJHFEXZSRFMCIE-ZDUSSCGKSA-N 367.453 2.623 0 1 FFAF C[C@@H]1C[C@H](O)[C@@H](C=CC=Cc2cc3c(Cl)c(O)cc(O)c3c(=O)o2)O1 2356348993 OQCHWPMKMLHBAH-MURWCNHISA-N 364.781 2.965 0 1 FFAF CO[C@H](CO)CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@@H]2C(C)(C)O)cc1 2356353126 IORUILAZBKZNSR-XSDIEEQYSA-N 362.510 2.883 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2)CO3)O1 2356400656 GAPUQIONZCUUIW-XJKSGUPXSA-N 356.374 2.531 0 1 FFAF COc1cccc(OC)c1OCCN[C@H]1CO[C@H](c2ccccc2)CO1 103218948 AZMXYPJIGNJSOZ-RBUKOAKNSA-N 359.422 2.786 0 1 FFAF CCCc1cc(=O)[nH]c(-c2ccccc2CN(C)CCn2cccn2)n1 23581076 FYWAMCSDTNOXQK-UHFFFAOYSA-N 351.454 2.718 0 1 FFAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1 27888716 VJRDYDWIINHNPA-UHFFFAOYSA-N 350.783 2.667 0 1 FFAF COC(=O)C1=C2[C@](C)(CC[C@@H](OC(C)=O)[C@]2(C)C(=O)OC)c2ccccc21 2356490966 ARQVUVIODPKUNS-LPTQZCDUSA-N 372.417 2.789 0 1 FFAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1O 28567414 CNVXODFAJUWWTL-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)[SH](=O)=O 2356646962 VRJYJHPMOLIEMS-AFSDYGTFSA-N 367.555 2.823 0 1 FFAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2C[C@H]3[C@H]1[C@H]([C@H](C)O)C2 2356733662 MPZAXUXGFQVJBO-VEQCKFOOSA-N 356.466 2.916 0 1 FFAF O=C(NC1CC1)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O 36388426 SLZKFZGIZVAQBY-UHFFFAOYSA-N 361.806 2.609 0 3 FFAF COc1cc(-c2nc(CNCCCn3ccnc3)co2)cc(OC)c1OC 72100965 FVYZXMFNJMVUES-UHFFFAOYSA-N 372.425 2.744 0 1 FFAF O=c1[nH]c2ccc(N3CCCC[C@H]3CCO)nc2nc1-c1ccccc1 82231645 VZSFNTFANKNHAM-HNNXBMFYSA-N 350.422 2.726 0 1 FFAF NC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12 45354379 BNJFCNFCPGNRBQ-UHFFFAOYSA-N 357.373 2.772 0 1 FFAF CCCc1cc(N2CC[C@H](O)C(C)(C)C2)nc2sc(C(N)=O)c(N)c12 45260904 CRXCSBGTZKOIPZ-NSHDSACASA-N 362.499 2.527 0 1 FFAF CCn1c(O)c([C@](C)(NN)Nc2ccc(C)cc2)c(=O)c2ccccc21 19168308 VSKDZWWXBGVXBT-FQEVSTJZSA-N 352.438 2.784 0 1 FFAF biogenic C/N=c1\[nH]c2cnc(Nc3ccc(OC)nc3)cc2n1Cc1ccco1 82082968 BSWJUEKNMDFPQJ-UHFFFAOYSA-N 350.382 2.683 0 1 FFAF O=C(Nc1cnc2ccccc2c1)c1ccc2nc3n(c2c1)CCCNC3=O 147078846 IUBOVMXHGBTLME-UHFFFAOYSA-N 371.400 2.970 0 1 FFAF COCCNC(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2C1 25209080 FBFUNULIRJWSRV-WBVHZDCISA-N 363.498 2.832 0 1 FFAF biogenic COc1cc2ncnc(Nc3cccc(NS(C)(=O)=O)c3)c2cc1OC 653852848 VOQXQKBOJZIREZ-UHFFFAOYSA-N 374.422 2.762 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1SCC(=O)O)O2 587410370 RJKIGQPXZGZARG-ZDUSSCGKSA-N 361.423 2.502 0 1 FFAF COC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 587085473 VXDLVPSNDMKUCL-UHFFFAOYSA-N 372.816 2.572 0 1 FFAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCC1 587568350 BVLRYDUPFHKOGO-DLBZAZTESA-N 353.374 2.639 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)([C@H]1CCCN(C)C1=O)O2 587396466 SOUFHAMFXIEGGI-HRAATJIYSA-N 365.433 2.701 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587233245 KSQLFQFQLOIPFM-QWHCGFSZSA-N 369.429 2.699 0 1 FFAF COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)NC(C)(C)C)ncn1-2 1772577086 PNQWEUFKWLJLQG-HNNXBMFYSA-N 368.437 2.700 0 1 FFAF O=C(c1cnsn1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12713562 BVZGCAMAORSDSV-UHFFFAOYSA-N 351.859 2.649 0 3 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC[C@H](C)OC 1542263 MNHYAKKTEVCZLI-ZDUSSCGKSA-N 371.909 2.798 0 1 FFAF COc1c2cc(c(O)c1OC)C[C@H](O)CCC(=O)CCc1ccc(O)c-2c1 2356307769 QQZDVULKNUMTAM-OAHLLOKOSA-N 372.417 2.981 0 1 FFAF CCN(CC)C[C@@H](O)COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 2272590 DLYMFOLYIKQMOC-CTNGQTDRSA-N 363.498 2.700 0 3 FFAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 2716074 NXUXUPDIDFKURE-YVWKXTFCSA-N 371.458 2.892 0 1 FFAF CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 61852971 CREIVZMVKVHAOK-QGZVFWFLSA-N 370.505 2.632 0 3 FFAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(C(=O)O)c1 29462822 SCXRGGOOSQTZBO-UHFFFAOYSA-N 365.315 2.658 0 1 FFAF CN1CCN(c2nc(Cl)c(Br)c(NC3CCCC3)n2)CC1 29203834 PIPQKEKISRMZLB-UHFFFAOYSA-N 374.714 2.999 0 1 FFAF CC1=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CC[C@@H](O)[C@](C)(CO)[C@@H]2[C@H](O)C1 34649757 NUTCNEOTPPOFED-BXTKOOMYSA-N 352.471 2.654 0 1 FFAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccco1 49053738 NIIARFOTEBHQCS-OAHLLOKOSA-N 374.447 2.553 0 1 FFAF COC(=O)n1c2c(c3ccccc31)CCN1C[C@@H]3[C@H](C)O[C@H](O)C[C@H]3C[C@@H]21 238747793 HVGMWXRXQCDMCS-ASVZHYIHSA-N 370.449 2.918 0 1 FFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)n1 95578137 OVWAOLNXIDXPGM-FUHWJXTLSA-N 356.857 2.565 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586967217 QQFMGTSOHOCMIE-UHFFFAOYSA-N 355.301 2.562 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)([C@@H](C)O)CC2=O 587477555 CVKGJTIUTYTLKG-CWTRNNRKSA-N 350.411 2.773 0 1 FFAF COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1OC 586949810 AZSBJLQUJJRYDJ-UHFFFAOYSA-N 361.423 2.542 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 587872453 NIEXHWBZNYOUGB-WBVHZDCISA-N 359.401 2.591 0 1 FFAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)O)cc1Cl 587654535 LIXDCEZJODDSEM-UHFFFAOYSA-N 371.201 2.939 0 1 FFAF CC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCC3 958059155 TXXAVDJJDFTMJK-UHFFFAOYSA-N 374.849 2.945 0 1 FFAF C[C@@H](Oc1ccc([C@@]2(C)NCCc3nc4ccccn4c32)cc1)C(=O)O 962984595 DZBUWKJJGGTCQW-ZUOKHONESA-N 351.406 2.595 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cnc(N3CCCC3)s1)NCC2 962924703 LTPNHIOBXDDYMQ-QGZVFWFLSA-N 356.495 2.680 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1cc(-c3ccccc3)n(C)n1)N[C@H](C(=O)O)C2 963472251 PLMLUXCILZADAW-OXJNMPFZSA-N 363.417 2.789 0 1 FFAF CC1(C)[C@@H]2CC[C@@]1([C@H](O)CN1CCN(c3ccccc3F)CC1)C(=O)C2 169334456 POSYEVBLZTVDNW-VMRPVKRXSA-N 360.473 2.704 0 1 FFAF COCCCCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166657939 CYPMEDCSPVGPHR-UHFFFAOYSA-N 368.437 2.786 0 1 FFAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(=O)NC(C)C)C2)CC1 4238078 JZVUSZZSAZALHP-UHFFFAOYSA-N 362.474 2.728 0 1 FFAF O=C(O)[C@@H](c1ccc2c(c1)OCO2)N1N=C(c2ccccc2)CCC1=O 26673078 OVFLISSUDZIRHC-GOSISDBHSA-N 352.346 2.568 0 1 FFAF CCN1CCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1 34858421 GPWQLGAPUMXAKZ-UHFFFAOYSA-N 370.478 2.556 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@]3(C)N(C)C[C@H]2O 2356667840 SBQQYHIOVRPXMT-ASSNKEHSSA-N 371.433 2.835 0 1 FFAF COc1cc(O)c2c(c1)C=CCC[C@H](O)[C@H](O)CCC[C@H](C)OC2=O 2356709105 OZWMOQDGIWAGRK-VBNZEHGJSA-N 350.411 2.645 0 1 FFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCCCC3)C[C@@H](O)[C@H]2CO)n1 2356741183 SFFIYDYBLKAOFA-INDMIFKZSA-N 361.530 2.597 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)C(=O)N3CCC[C@H]3C[C@@H]12 2356793600 KPUOUTYIIZSZJR-WAQNEXLBSA-N 365.433 2.887 0 1 FFAF O=C1C(=O)N(CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc21 71319380 BWTSMUQLAFMUII-UHFFFAOYSA-N 362.385 2.682 0 1 FFAF NC1=N[C@@H](c2c(Br)[nH]c3ccc(Br)cc23)CN1 15122148 WKESXLRJTZSTJI-MRVPVSSYSA-N 358.037 2.652 0 3 FFAF biogenic O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1cccnc1 49110378 FPYSFTPLUFNAKW-CABCVRRESA-N 368.824 2.518 0 1 FFAF NC1=N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@H]2COC1 96929369 HOPLUAKMYRGQPD-YPMLDQLKSA-N 374.803 2.729 0 1 FFAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3/[N+](=C/O)CC2)OCO4 238778702 VYUJQWBAAMYCTH-CQSZACIVSA-O 354.382 2.852 0 1 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 95894320 DWIQNYLYYQYBBV-IRFCIJBXSA-N 354.425 2.911 0 1 FFAF Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1 95601522 SZKCGEYAANKWPG-UHFFFAOYSA-N 353.450 2.548 0 1 FFAF CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCCO4)n1 586999606 CFQFYCZGKBHIIE-UHFFFAOYSA-N 363.215 2.904 0 1 FFAF COCCN1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587768759 MKKHRTXVKXZNLT-BZNIZROVSA-N 357.267 2.670 0 1 FFAF COC(=O)c1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441298 DHWHWFRRMDEPLG-AUUYWEPGSA-N 354.358 2.979 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)no1 587868948 XODKBFBJJYFMSY-UHFFFAOYSA-N 352.272 2.957 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(Cl)cnc2[nH]1 587566372 JNZHHFHAFMTHSR-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(OC)cc41)[C@@H](C2)C3=O 587441914 VGKPVMUALNAPNP-XOBRGWDASA-N 351.358 2.607 0 1 FFAF CCN1C=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 587770505 CXLQMALXGQUWMJ-HWPZZCPQSA-N 352.251 2.967 0 1 FFAF CNS(=O)(=O)c1sccc1[C@]1(C)NCCc2c1sc(C)c2C 963010255 MSCUSMQVIFHKNC-HNNXBMFYSA-N 356.538 2.744 0 1 FFAF COc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12 169340991 MSUGUWYGWGMSQH-AWEZNQCLSA-N 372.446 2.989 0 1 FFAF COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1 169342591 VCUXVXLUOHDHKK-UHFFFAOYSA-N 361.814 2.610 0 1 FFAF in-vitro CN1CCN(c2ccnc(CN(C)[C@@H]3CCCc4cccnc43)c2)CC1 1857646171 BAXHMTUVQQKBED-HXUWFJFHSA-N 351.498 2.738 0 1 FFAF CCOc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225958455 DYUVWVIMLOBJJR-UHFFFAOYSA-N 361.409 2.767 0 1 FFAF Cc1cc2nc(CO[C@@H]3CN(C4CCN(C)CC4)C[C@H]3F)[nH]c2cc1C 2356331327 YZLZPCKZBQNMED-VQIMIIECSA-N 360.477 2.813 0 1 FFAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccncc3)n2)c(=O)c1=O)C(C)(C)C 101595715 GZKFPWYJXLPJBT-LLVKDONJSA-N 366.425 2.801 0 1 FFAF CN(Cc1ccncc1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28126724 FBDAUTDZLGPIPG-UHFFFAOYSA-N 356.813 2.605 0 1 FFAF C[C@@H](CCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743846 XGHZIOVZCANMOF-KPZWWZAWSA-N 362.857 2.789 0 1 FFAF O=c1[nH]c2ccc(-c3nc([C@@]4(c5ccc(F)cc5)CCOC4)no3)cc2[nH]1 20453833 FODQZZVOZIMCCL-IBGZPJMESA-N 366.352 2.752 0 1 FFAF CC[C@@]1(O)C(=O)SCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 27848417 LFEYNBUYPIVWDZ-FQEVSTJZSA-N 364.426 2.796 0 1 FFAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2CO)c1 2356774107 QXMSVIXIQRDNOM-QFBILLFUSA-N 372.373 2.717 0 1 FFAF Cc1nc2ccc(Cl)cc2nc1C#Cc1nc(N2CCCC2)nn1C 210607827 PAKWPKIJGIIWAV-UHFFFAOYSA-N 352.829 2.720 0 1 FFAF COc1cc(CCC(=O)C[C@H](O)CCc2cccnc2)cc(OC)c1OC 71341062 PWAHMHKJNJPKQE-QGZVFWFLSA-N 373.449 2.993 0 1 FFAF O=C1C[C@](O)(c2ccccc2)[C@@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 14884349 ANQCWAZGTFETKF-RTWAWAEBSA-N 364.353 2.657 0 1 FFAF biogenic COc1cc(/C=C2\C(=O)OC[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 43078856 NKOQRQFDKFTIHO-LVOZBFFPSA-N 370.357 2.554 0 1 FFAF Cc1cc2c(cc1C)[n+](=O)c(C(=O)NCCc1ccccc1)c(C)n2O 49071980 ZSIJJVNSJVAXQV-UHFFFAOYSA-O 352.414 2.691 0 1 FFAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141867 BKMHTNFIQXIDKD-ZBFHGGJFSA-N 370.453 2.882 0 1 FFAF Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)no1 145613377 WJLRYFFGIIVKOX-KFZJALRRSA-N 363.373 2.547 0 1 FFAF CN1CCN(c2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)C1=O 146383325 XMUJGUNEXYQGTO-UHFFFAOYSA-N 366.826 2.980 0 1 FFAF COCCNC(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2C1 25209071 FBFUNULIRJWSRV-NVXWUHKLSA-N 363.498 2.832 0 1 FFAF biogenic COc1ccc(-n2cnnn2)cc1CO[C@H]1CCCN[C@H]1c1ccccc1 473084727 UEJRZPRARNAEGQ-PMACEKPBSA-N 365.437 2.681 0 1 FFAF O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCO3)Cc1ccccc1 587193095 BCIOGCMWSFVEQF-UHFFFAOYSA-N 367.405 2.811 0 1 FFAF O=C(NCc1nc2ccc(F)c(Br)c2[nH]1)c1cscn1 587028238 NAGBZFJZELOCBR-UHFFFAOYSA-N 355.192 2.851 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc2c(c1)OCO2 587650426 LGRXQGVMIQYHMP-UHFFFAOYSA-N 372.402 2.861 0 1 FFAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2COC[C@H]1CC(C(=O)O)C2 587482302 DSMKPCZRZOGMAF-WYSHMAITSA-N 360.406 2.806 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 587400510 QICIGTQIWQOBEN-RRBXVBTKSA-N 374.437 2.547 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccnc1 587585475 DZKZEEMJGGSTFW-OXJNMPFZSA-N 363.325 2.729 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CSC[C@H]1C(=O)OCC)CC2=O 587496159 RXQIWHGZNDNZOT-UGSOOPFHSA-N 350.436 2.975 0 1 FFAF COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O 587420494 IGRBDAADNFWFFF-IFXJQAMLSA-N 373.792 2.950 0 1 FFAF CN(C)C(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587197865 WDWKPLJMYUDSCX-UHFFFAOYSA-N 366.137 2.855 0 1 FFAF C[C@]1(c2cc3cc(CO)ccc3o2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903513 VDTIHBJZUVSSGD-JXFKEZNVSA-N 355.365 2.927 0 1 FFAF COc1ccc2c(c1OC)[C@]1(c3ccc(F)cc3C[C@@H]1N)N(C)[C@H](C)C2 962618941 CPYVHQSPAAYZKM-CECALHEMSA-N 356.441 2.846 0 1 FFAF Cn1nnc2cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc21 962732166 XNQFNIUIPMVDAI-GOEBONIOSA-N 360.339 2.703 0 1 FFAF O=C1N=Nc2nc(CN3CCN(c4ccncc4)CC3)nc3cccc1c23 169710165 PEJUJWCPEVEISG-UHFFFAOYSA-N 359.393 2.585 0 1 FFAF CN(C)c1cccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)n1 203693725 PBNBQHHTASTDET-UHFFFAOYSA-N 361.405 2.525 0 1 FFAF C[C@H](CCc1ccccc1)N1C=N[C@@H]2C(=O)NC(Cc3ccccc3)=N[C@@H]21 1857554386 BMJQYCDFXMASJJ-TYCQWZJGSA-N 360.461 2.817 0 1 FFAF COc1c(C)c(O)c2c(c1C=O)O[C@@H](C)[C@H](C(=O)c1ccccc1)C2=O 100804136 XOYBHGIKQQOETF-SMDDNHRTSA-N 354.358 2.984 0 1 FFAF biogenic,in-vitro CCCCCCS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O 28222388 VQLAKBFYOTWPMJ-CYBMUJFWSA-N 358.847 2.575 0 1 FFAF CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1)N1CCOCC1 26824053 IVWQSZCBZHWLGE-INIZCTEOSA-N 359.359 2.998 0 1 FFAF CC(C)NC[C@@H](O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 29557166 WABFVRBFEFLNTL-OAHLLOKOSA-N 369.417 2.903 0 1 FFAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356484227 NCFPQWWUPUPGCB-OTWHNJEPSA-N 374.529 2.972 0 1 FFAF O=C(NCc1ccc(Cl)cc1)c1noc2ncnc(N3CCCC3)c12 20993748 KQVGTWZCDJXSQD-UHFFFAOYSA-N 357.801 2.801 0 1 FFAF COc1cccc2c1[C@H](c1ccc3c(c1O)C(=O)C[C@@H](C)[C@H]3O)OC2=O 36374952 MOOPAAHERXFVGI-BJBLRFPOSA-N 354.358 2.917 0 1 FFAF COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3O)oc2c1OC 14436607 HAJJOCMWAKZDQM-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]12 13371411 UIPQDOWYNRWNGN-HAFFEQERSA-N 368.341 2.746 0 1 FFAF biogenic O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1Cc1cccs1 15956345 OAILJHBSNHCNFZ-QGZVFWFLSA-N 351.431 2.525 0 1 FFAF biogenic CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 40880928 YPVJSAYFTDREBJ-KAQOAFHOSA-N 362.466 2.960 0 1 FFAF biogenic,in-vitro CCc1cc(NC(=O)c2ccc3cc4n(c3n2)CC(C)(C)CNC4=O)no1 147134681 UQTTUPZZXWDOQT-UHFFFAOYSA-N 367.409 2.609 0 1 FFAF Cc1ccc(OC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccccc3)CCO2)cn1 261121908 JQPBGRKMTKYABC-UFYCRDLUSA-N 352.434 2.800 0 1 FFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1 586940572 AKTSEPINQMBICV-HJWRWDBZSA-N 356.451 2.973 0 1 FFAF CC(=O)N(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O 587740902 LLNVSGPAMMXZMZ-FVMDXXJSSA-N 371.250 2.733 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CC(C(=O)O)C4)cc1)[C@@H](C2)C3=O 587437974 MLGJKARZSOTDNM-OXJNMPFZSA-N 365.385 2.705 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3c(F)cccc31)O2 587385221 ARIUBSOKZRHNNB-SFHVURJKSA-N 361.394 2.754 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)O2 587396801 WGIILUHDLOHZLZ-VFNWGFHPSA-N 372.465 2.863 0 1 FFAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587174241 HTSUUULURNMCHH-LBPRGKRZSA-N 365.368 2.757 0 1 FFAF COC(=O)c1cnc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962719495 ZJTNAFWAPNILMK-KPZWWZAWSA-N 373.453 2.855 0 1 FFAF Cn1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)n1 963182617 PGPKKCVFOOAMDP-BMIGLBTASA-N 373.762 2.955 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccccc2N)c2n[nH]c(C(C)C)c2n1 143541486 QTTGJROYRLDUFU-CYBMUJFWSA-N 369.473 2.853 0 1 FFAF CC[C@H](NCCO)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 1772634245 CQCNPPKXIMUODF-ZDUSSCGKSA-N 351.809 2.720 0 1 FFAF CN1C(=O)[C@]2(CC3(CC=CC3)c3ccc(Br)cc32)NC1=S 1772604849 YYKNMQRCGFGZQB-MRXNPFEDSA-N 363.280 2.982 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C=O)OCO2)OCO3 13408600 HYWZGQMUNYHGNN-INIZCTEOSA-N 353.374 2.728 0 1 FFAF biogenic N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 204977136 HXAPBPDFLXXIAB-OTYXRUKQSA-N 363.780 2.619 0 1 FFAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1 13472733 NEBFMAAUKXSAAC-UHFFFAOYSA-N 366.421 2.828 0 1 FFAF CCN(CC)CCCN1C(=O)C[C@]2(CCCc3cc(OC)ccc32)C1=O 3631751 UATZYPFWKJRHMC-NRFANRHFSA-N 358.482 2.760 0 1 FFAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 3956232 RLRCGLAQFWIXSW-HXUWFJFHSA-N 352.438 2.618 0 1 FFAF C[C@@H](Nc1nc(Nc2cn(C)cn2)c2[nH]ccc2n1)c1ncc(F)cn1 103260230 OUALHPDZWRDTBH-SECBINFHSA-N 353.365 2.537 0 1 FFAF Cc1ccc(NC(=O)c2ncn(CCCNCc3ccccn3)n2)cc1C 61936061 XYBWGNVVGSYDTD-UHFFFAOYSA-N 364.453 2.722 0 3 FFAF COc1cccc2nc(C[C@H]3CN(CC4CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356686563 KJMQQSALAFGBDP-CABCVRRESA-N 357.454 2.937 0 1 FFAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4cccc5ccccc45)C[C@H]3C2)n1 116823814 GBOGADFPCXULPQ-IRXDYDNUSA-N 374.444 2.847 0 1 FFAF O=C(O[C@H]1CC(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C1)c1ccccc1 66078300 FEUJGSXHEUINDU-MERXZDIISA-N 368.477 2.707 0 1 FFAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccco1 35594370 YUACVWOTZJAVBB-GFCCVEGCSA-N 370.434 2.914 0 1 FFAF O=S(=O)(c1cccc(F)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35278977 CPKIICBVUILMAR-UHFFFAOYSA-N 374.441 2.699 0 1 FFAF COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@H]2c2ccccc2)cc1 73158033 WYUFFOSVVBIDQL-RXVVDRJESA-N 368.385 2.863 0 1 FFAF OCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45364681 VXHJCXNRDBFYPT-NSHDSACASA-N 368.277 2.888 0 1 FFAF COc1cc(/C=C/C(=O)NCCN2CCCC[C@@H]2C)cc(OC)c1OC 46859053 UQADBAMUKAXGKA-HVHJFMEUSA-N 362.470 2.716 0 1 FFAF CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cncc(F)c2)cc1 43171606 VTIQQUVUXTUBAO-QZTJIDSGSA-N 364.442 2.698 0 1 FFAF O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(C(F)(F)F)cc4Cl)C(=O)[C@@H]13)O2 95495821 QLXZJAHCWHTALL-YFCNSXCBSA-N 373.714 2.730 0 1 FFAF COC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nc1 142805991 IMVCVLTXUNLWMR-UHFFFAOYSA-N 367.361 2.736 0 1 FFAF C=CS(=O)(=O)NCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485760 KAYNTKKBQHPRJY-UHFFFAOYSA-N 368.842 2.735 0 1 FFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccccc1 299823307 UMGIDNPHGAJLAN-UHFFFAOYSA-N 366.377 2.932 0 1 FFAF CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@@H]3NN=C[C@@H]23)c2ccc(F)cc2O1 299828924 JNPIMNXZTQZGNE-CWRNSKLLSA-N 356.401 2.755 0 1 FFAF C[C@]1([C@@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597860 WQKGUZSBTDJCMJ-OWDMVUQNSA-N 353.374 2.639 0 1 FFAF CC1CCC(NS(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)CC1 586953636 WUFQSGUJQAUAEW-UHFFFAOYSA-N 360.842 2.749 0 1 FFAF CCOC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587799654 TZXINRUJMZKLJY-ABKXIKBNSA-N 372.234 2.860 0 1 FFAF CN(Cc1nc2ccc(CO)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928768 KANFNVKENGODLG-UHFFFAOYSA-N 365.842 2.529 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1cc(Br)cn1 587648944 KCJIFABAEVWVLB-UHFFFAOYSA-N 354.229 2.828 0 1 FFAF COc1cc2nc(-c3cncc(I)c3)[nH]c2cn1 587184637 KDACLUIZAHMCTQ-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF CC(C)(C)n1ncc2c(O)nc(-n3ncc4ccc(Cl)cc4c3=O)nc21 587653367 UQOQKFJYWQXVQK-UHFFFAOYSA-N 370.800 2.639 0 1 FFAF NC(=O)c1cc(-c2ccccc2)cc2c([C@@H]3CCS(=O)(=O)C3)c[nH]c12 114234023 VRUTUTVCAHXNHV-CYBMUJFWSA-N 354.431 2.836 0 1 FFAF CC1=CC(=O)N(Nc2nc(-c3ccc[nH]3)nc3sc(C)c(C)c23)C1=O 1772612067 KIQCNJFYDOCHKD-UHFFFAOYSA-N 353.407 2.945 0 1 FFAF CN(C)c1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1 13538171 QUQRWNFPIAUQHM-UHFFFAOYSA-N 357.439 2.534 0 1 FFAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc2ccccc12 13612313 WSJLEFBBWHPLKT-UHFFFAOYSA-N 371.352 2.990 0 1 FFAF COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=CC[C@]2(C)C(=O)CC[C@H]2[C@@H]1C3=O 13746958 HAQMCHGVGABAFR-VLKWBNJWSA-N 370.401 2.851 0 1 FFAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N(C(N)=O)C(=O)N1 13820436 MJHVURZZWVIJRK-CYBMUJFWSA-N 351.790 2.711 0 1 FFAF CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 14826959 YPBNKPNGOBYSJH-ZWKOTPCHSA-N 360.362 2.890 0 1 FFAF endogenous,in-man CCCS[C@@H]1C[C@@H](c2ccc(C)cc2)N(S(C)(=O)=O)C[C@H]1C(=O)O 1857540156 GKECXILRKYQVOS-OWCLPIDISA-N 371.524 2.914 0 1 FFAF CSc1nc(N)c2c(n1)N=C1COC(=O)[C@@H]1[C@@H]2c1cccc(Cl)c1 1857598050 RSROVWGACPSMNX-QWRGUYRKSA-N 360.826 2.825 0 1 FFAF COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC 928290 DRCZEKYITFIWAV-UHFFFAOYSA-N 362.451 2.511 0 3 FFAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 100109253 RIOIQWVFCXHESW-IWDDJAOLSA-N 372.465 2.987 0 1 FFAF CC(=O)c1cccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c1 28521881 YYRDJIMSAZVZLA-UHFFFAOYSA-N 368.414 2.899 0 1 FFAF NC(=O)c1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1 116989545 LIVXRAZDMGHLSN-UHFFFAOYSA-N 358.401 2.877 0 1 FFAF COCCCNc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 61927139 NYUDZSDOJXVMBQ-UHFFFAOYSA-N 372.425 2.871 0 3 FFAF Cc1cc(C)c2c(=O)n(CN3C[C@@H]4Nc5ccccc5[C@@H]4C3)sc2n1 31905652 WPBHZIGUJVFMIY-HOCLYGCPSA-N 352.463 2.926 0 1 FFAF COc1ccc(-c2c(C)nc3c(N4CCOCC4)cc(C)nn23)cc1OC 1911572710 IALSDVRRICBKKO-UHFFFAOYSA-N 368.437 2.867 0 1 FFAF CCOC(=O)N1CCN(Cc2noc(-c3cc(Cl)ccc3F)n2)CC1 38495368 XLRANLHGLPKJGF-UHFFFAOYSA-N 368.796 2.803 0 1 FFAF O=C(O)CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 40835500 YOLHYLSTDAGJHM-HNNXBMFYSA-N 358.785 2.836 0 1 FFAF CN1CC[C@@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@@H]12 135638999 HVBLNBKSQUKBIS-SSGKUCQKSA-N 360.505 2.743 0 1 FFAF C[C@H](CO)NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224713590 XTVUSIOHKREFDK-GFCCVEGCSA-N 366.396 2.643 0 1 FFAF CC[C@]12C=CCN3CC[C@@]4(C5=C(NC4=C(C(=O)OC)C1)C(O)=CCC5)[C@@H]32 238783013 JCNWTKLAHXIPKZ-ACRUOGEOSA-N 354.450 2.937 0 1 FFAF Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)no1 141644059 WJLRYFFGIIVKOX-OMNBBPDLSA-N 363.373 2.547 0 1 FFAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 96917035 FXGQQWNPCXEEJJ-HNNXBMFYSA-N 368.867 2.766 0 1 FFAF C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661477 FMTPPIHXNCHISQ-IUODEOHRSA-N 363.458 2.605 0 1 FFAF Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 261133390 LPLJCQTWKUNXIE-SFHVURJKSA-N 368.824 2.830 0 1 FFAF COc1ccc([C@@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 473129151 GIRLQTWFPQINCE-CYBMUJFWSA-N 364.423 2.517 0 1 FFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(S)n1N 587867006 PLAJOZXGDHCURJ-UHFFFAOYSA-N 370.360 2.551 0 1 FFAF O=C1C[C@]2(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 587526082 PORGPYXYGZFHOE-BJIKLQPUSA-N 355.434 2.742 0 1 FFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 586934730 ALWKMBXRLQGHMD-GFCCVEGCSA-N 365.846 2.634 0 1 FFAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 587650196 PKGZVGMZPCIFRF-UHFFFAOYSA-N 367.377 2.956 0 1 FFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587930655 FKTRQZHZRPENDQ-SCLBCKFNSA-N 357.435 2.664 0 1 FFAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)no1 2356400693 HFGWAQNAQIGVQV-VIFPVBQESA-N 359.313 2.966 0 1 FFAF COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 9210416 BLGXFZZNTVWLAY-LCSDLDFTSA-N 354.450 2.647 0 1 FFAF O=C(Nc1ccc(Cl)cc1)c1cnn2c(O)cc(C3CCNCC3)nc12 20213553 PYLMIFFSWXUCQP-UHFFFAOYSA-N 371.828 2.808 0 1 FFAF Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3ccoc3)cnn12 60328034 UUXLORHYMYNKFC-SECBINFHSA-N 362.231 2.801 0 1 FFAF CC[C@@H]1/C=C\[C@@H](O)[C@@H](O)C/C=C/c2cc(OC)cc(O)c2C(=O)O[C@H]1C 49020968 BBBYYQVMEHVGSS-BMQAXGCBSA-N 362.422 2.667 0 1 FFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccc(F)c3)cc2)CC1 96172308 DEAWUVPRUJOMBJ-RTWAWAEBSA-N 367.468 2.712 0 1 FFAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 101017014 MMMDVGMDEBDBOH-FCQGJPJTSA-N 352.434 2.782 0 1 FFAF biogenic CCN1CCC[C@@H]1C(=O)NC12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2 653798372 FNFJFDDCOIMVKZ-LTWUZEEKSA-N 354.494 2.916 0 1 FFAF COC(=O)c1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 587008293 SCNGEHARVMSUDA-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncccc12 587592861 HWWVBTGKLLVJAS-FOIQADDNSA-N 360.325 2.596 0 1 FFAF O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586887097 DXBOFXNMEHJGIM-LURJTMIESA-N 367.121 2.722 0 1 FFAF CCc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)no1 587275559 CXTFWCWDBUYNCH-UHFFFAOYSA-N 351.156 2.864 0 1 FFAF COC(=O)c1cc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2cc1OC 587155179 IINMMFJQTVBMBM-HXPMCKFVSA-N 355.369 2.839 0 1 FFAF CN1CCc2cn(C)nc2[C@H]1c1c(F)ccc(C2OCCO2)c1Cl 963956287 VKBDCAINWUIVCH-MRXNPFEDSA-N 351.809 2.835 0 1 FFAF Clc1ncc([C@@H]2NCCc3cccc(Cl)c32)c(N2CCOCC2)n1 963378580 GUPBWQSSGYHLPV-HNNXBMFYSA-N 365.264 2.855 0 1 FFAF CN(C)[C@@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO 1772606129 ROZYQPYBANRXCZ-JXFKEZNVSA-N 370.474 2.961 0 1 FFAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3cc4ccoc4cc3O[C@H]1CO2 14450974 SXKFYDWIBCRCRI-AZUAARDMSA-N 368.341 2.674 0 1 FFAF endogenous,in-man CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 14826960 YPBNKPNGOBYSJH-QZTJIDSGSA-N 360.362 2.890 0 1 FFAF endogenous,in-man COCc1cc(CNC2CCN(c3ccc(-n4cccn4)cc3)CC2)n[nH]1 19223466 KGNIDFUNONPMHQ-UHFFFAOYSA-N 366.469 2.500 0 1 FFAF COCCCNCC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1 4925392 WADFHZAGYPDAMN-FQEVSTJZSA-N 374.506 2.857 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767213 WVKPIMVEQYNNEJ-AZUAARDMSA-N 366.417 2.646 0 1 FFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)CC[C@@]1(C)O 2356310703 DDUYMNONWMLEII-YPAWHYETSA-N 368.477 2.516 0 1 FFAF COC[C@H](O)[C@@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356388488 HIZZPDXONVQBAA-XUZCLIHGSA-N 362.510 2.969 0 1 FFAF CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCSC)nc2n1 2499671 KKKNXTGABHHYKQ-UHFFFAOYSA-N 364.515 2.603 0 1 FFAF CCc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703275 FGVINJIMIOEDTO-INIZCTEOSA-N 365.433 2.860 0 1 FFAF Cn1ncc2c1C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 28948410 OJJQKWWWAKJKCJ-CQSZACIVSA-N 369.440 2.899 0 1 FFAF Cc1ccc(C)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1 116822798 ZSFLBBUZWXXXKC-QZTJIDSGSA-N 350.466 2.919 0 1 FFAF Cc1ccc(CNCC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 64549299 BDVXLXLWIPWOCW-UFRUDQCGSA-N 371.506 2.739 0 1 FFAF c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)c1 28643730 RUYDMXOALUKAMK-UHFFFAOYSA-N 357.417 2.708 0 1 FFAF CC=C1CN2CCc3c4n(c5ccccc35)[C@](OC)(C(=O)OC)[C@H]1C[C@H]42 2356644094 RVSIIJMBBKAXBL-YRISNDGFSA-N 352.434 2.993 0 1 FFAF Cc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NCc2cccnc2)cc1 37866892 AAKYALYUIAIXEB-NRFANRHFSA-N 351.450 2.630 0 3 FFAF Cc1cccc(C(=O)NN2CCN(CCc3c[nH]c4ccccc34)CC2)c1 39219485 CWHZIJFVOXLKTJ-UHFFFAOYSA-N 362.477 2.981 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)[C@@H]1C 33715333 HZPODKAOLALRSY-WOSRLPQWSA-N 356.422 2.626 0 1 FFAF CC(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 223385643 FHFATZLSERMROD-QGZVFWFLSA-N 372.469 2.754 0 1 FFAF COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CCOC1=O 238750880 MHRCICBXWGKYFB-YJBOKZPZSA-N 364.401 2.627 0 1 FFAF C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 96284622 VKIVUAVVIMZCSX-LBPRGKRZSA-N 356.393 2.779 0 1 FFAF COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O 299866980 XDXKNUNXEFUWLC-UHFFFAOYSA-N 374.422 2.558 0 1 FFAF c1ccc(CC2CCN(CCN3CCN(c4ncccn4)CC3)CC2)cc1 653739165 LYAGZANLZURYSY-UHFFFAOYSA-N 365.525 2.553 0 1 FFAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCOCC1 587596983 STNIKXXPOORXCW-PXNSSMCTSA-N 369.417 2.833 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(C)cc3[nH]2)cc1 586946870 QXFKGDYKYRNTDQ-UHFFFAOYSA-N 359.451 2.573 0 1 FFAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(O)ncnc2[nH]1 587259084 XBACQALULXXSDT-AWEZNQCLSA-N 362.393 2.630 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1CC1 587578914 BVACXIVTHWHEOA-FXAWDEMLSA-N 363.373 2.794 0 1 FFAF C[C@H](Oc1ccc([C@@]2(C)NCCc3nc4ccccn4c32)cc1)C(=O)O 962984592 DZBUWKJJGGTCQW-RNODOKPDSA-N 351.406 2.595 0 1 FFAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963236943 SWULLTIAHZXQPZ-AZUAARDMSA-N 364.401 2.940 0 1 FFAF O=C([C@H]1Cc2ccccc2[C@H](c2ccnc3nccnc23)N1)C(F)(F)F 962773807 XVKWSKJZRPPVGO-ZIAGYGMSSA-N 358.323 2.760 0 1 FFAF O=C(c1noc2c1CCCC2)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 11668172 SAWQGMZRUVUKAP-CQSZACIVSA-N 369.421 2.999 0 1 FFAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(F)c2)cc1 165626885 GKNJPJZPAMDYBU-QGZVFWFLSA-N 373.380 2.860 0 1 FFAF c1ccc(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cc1 201540508 ASOLRIGVQKJPHG-UHFFFAOYSA-N 373.420 2.995 0 1 FFAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(C(N)=O)cc1 205434205 NZAIREKENDLPID-UHFFFAOYSA-N 364.405 2.939 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CC[C@]1(O)C(=O)O2 1857759445 VPHUPHUZDVKWDW-JEAKYOOPSA-N 360.406 2.757 0 1 FFAF N[C@H](C[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O)C(=O)O 13491586 NZDBLMZHLZENBJ-OIBJUYFYSA-N 373.249 2.770 0 1 FFAF O=c1cc(CCc2ccc(C(F)(F)F)c(C(F)(F)F)c2)[nH][nH]c1=O 206416096 CIYVWZNJISOLST-UHFFFAOYSA-N 352.234 2.886 0 1 FFAF Cn1nc(C(=O)Nc2ccccc2)c2c1-c1ccccc1S(=O)(=O)C2 6738736 INRUYMBDRPZILK-UHFFFAOYSA-N 353.403 2.627 0 3 FFAF O=c1c([C@H](O)c2cccnc2)c(O)n(-c2ccccc2)n1-c1ccccc1 2356284283 VIRKCVKWVRFTSI-LJQANCHMSA-N 359.385 2.811 0 1 FFAF Cn1c(SCC(=O)Nc2nccs2)nc2c3ccccc3nc-2c1O 100705108 DYVQXZATGLQYOA-UHFFFAOYSA-N 371.447 2.966 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@H]1CC[C@H](C2)N1 100632461 NGDBOMGGLJOGAD-CXAGYDPISA-N 367.474 2.943 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCCCCOc2cccc(F)c21 103259023 DJFMCLBEHCXHRR-INIZCTEOSA-N 373.380 2.803 0 1 FFAF COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)c(O)cc1O 2356610444 KGBAVXLIBZBTBT-GFCCVEGCSA-N 362.334 2.536 0 1 FFAF COc1cc2c(c(O)c1OC)C1=Cc3ccc(O)c(OC)c3CN1CC2 2356872138 YPHYUFYECSBHNX-UHFFFAOYSA-N 355.390 2.993 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]2(C)CCC1 38288881 QKXSRJAHTPTJNG-NERVGUTLSA-N 368.514 2.916 0 1 FFAF COc1c(OC)c(OC)c2c(=O)cc(-c3cc(O)cc(O)c3)oc2c1OC 73198015 MWQMVAXACAAYJS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1 73199918 FDHCOOXYFXFSSR-UHFFFAOYSA-N 356.382 2.754 0 1 FFAF O=C(O)Cc1ccn(-c2cncc(-n3ncc4ccc(Cl)cc43)n2)c1 84669162 SKPWIUXDLOAETC-UHFFFAOYSA-N 353.769 2.887 0 1 FFAF O=C1NCCc2[nH]c(-c3cccc4ccc(O[C@H]5CCCNC5)nc34)cc21 222446359 NTBQVSFBQPCPSN-AWEZNQCLSA-N 362.433 2.647 0 1 FFAF CO[C@H](Cc1ccc2c(c1)OCO2)[C@@H](Cc1ccc2c(c1)OCO2)OC 238740146 GZNBWHVYMMHYHA-QZTJIDSGSA-N 358.390 2.959 0 1 FFAF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@@]1(O)C2=O 238750394 PEWPCEZVXROTHG-KWCTYANWSA-N 350.411 2.553 0 1 FFAF O=C(O)CNC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299839929 TZVUBIRWQZBTNW-CNDDSTCGSA-N 356.344 2.925 0 1 FFAF CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCNCC3)ccn12 653786083 MHEJXHKUTMYLLU-UHFFFAOYSA-N 359.433 2.866 0 1 FFAF COc1cncc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587093769 GPTJZEJHSGCIOC-CYBMUJFWSA-N 358.345 2.724 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nn2)N1 587794502 MTYWODSRGGNHOT-GLEZIHRCSA-N 352.207 2.882 0 1 FFAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)N1CCOCC1 587660924 JZMDEPVRRGORAJ-UHFFFAOYSA-N 369.421 2.668 0 1 FFAF Oc1ncnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587017863 PXHXKXDARCPQPG-UHFFFAOYSA-N 367.390 2.544 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ncc[nH]c-3n2)cc1 587040566 OINSQLLVXMIBTK-CYBMUJFWSA-N 355.423 2.591 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587776169 VNRGWILFJKEGKC-CGDUCALUSA-N 369.278 2.545 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCO3 587194873 ZCCKDWKYVLETKK-LLVKDONJSA-N 362.430 2.809 0 1 FFAF CCOc1ccc(OCC)c(N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2)c1 5845197 MFXYIYYEAGBYLS-CYBMUJFWSA-N 371.485 2.680 0 1 FFAF CN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1 13782314 IBERUOXZMOJOFS-UHFFFAOYSA-N 363.465 2.909 0 1 FFAF C[C@H](c1n[nH]c(-c2ccc(Cl)cc2Cl)n1)[C@H](N)C(=O)N1CCCC1 14948474 LVACPTGDPWLOHI-ZANVPECISA-N 368.268 2.832 0 1 FFAF CCc1cc(CNC(=O)c2ccc(OC)c(O[C@@H]3CCCN(C)C3)c2)on1 169332647 CGPPGWMYQAGGMI-MRXNPFEDSA-N 373.453 2.649 0 3 FFAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(CCN)C2 1857578452 YYAXMULXQJTFOS-UHFFFAOYSA-N 373.507 2.695 0 1 FFAF COc1ccc(-n2cnc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)cc1 2926118 AOKSTIKZNVHVCR-KRWDZBQOSA-N 351.406 2.943 0 3 FFAF CCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 3020934 AVTUBSGAHOSVNO-UHFFFAOYSA-N 362.426 2.717 0 3 FFAF CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(=O)CS3)s1 28826978 KLEHZMSJCLNMTM-UHFFFAOYSA-N 371.447 2.808 0 1 FFAF CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26743507 FKBKULCLBKMQRR-LVMGUKCRSA-N 366.417 2.609 0 1 FFAF CCOc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1 114520174 GGFHCTGTQGWFGO-UHFFFAOYSA-N 362.397 2.614 0 1 FFAF CN1C(=O)[C@@](c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N 72183327 VCKGJRZFNMIOEB-IBGZPJMESA-N 366.421 2.980 0 1 FFAF Cc1cc(-n2ccc3nnn(Cc4ccc5ncccc5c4)c3c2=O)sn1 84653255 LRNJTKPFQAYYGX-UHFFFAOYSA-N 374.429 2.944 0 1 FFAF CC(C)(C)[C@H]1CC[C@@H](C(=O)N2CCCC2)N1C(=O)NCCc1cccnc1 40576454 VWGCGIHHYHPVDO-ZWKOTPCHSA-N 372.513 2.835 0 1 FFAF CC(=O)c1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1 45353170 XOAMLQORFCRAHZ-UHFFFAOYSA-N 363.421 2.913 0 1 FFAF Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 49088882 QFKNUCVKOWGNCX-LBPRGKRZSA-N 359.499 2.801 0 1 FFAF OCCn1cc(-c2cnc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144890594 ISBCJTHXDGZWIO-KRWDZBQOSA-N 361.323 2.716 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895148 OIEGYFAFDUVRDN-GSLAHMCYSA-N 370.493 2.701 0 1 FFAF COc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1OCC(=O)NC(C)C 587224693 QDSANZAJUGYZHP-UHFFFAOYSA-N 355.394 2.848 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C)nc2[nH]1 586965781 YCHUYXWCLIWHLQ-UHFFFAOYSA-N 368.470 2.723 0 1 FFAF [O-][n+]1ccccc1SCc1nc2ccc(Br)c(O)c2[nH]1 586969774 OEYAQOZKRHZKGL-UHFFFAOYSA-N 352.213 2.957 0 1 FFAF COC(=O)c1cc2nc(C(=O)Cc3ccccc3OC)[nH]c2cc1OC 587928915 DSHBBZZXWKUFCA-UHFFFAOYSA-N 354.362 2.792 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807679 XSJUFTQDWFIYQT-FUXBKTLASA-N 368.206 2.722 0 1 FFAF COC[C@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C1 11662500 XYZRAZHAIUXUII-NSHDSACASA-N 352.337 2.640 0 3 FFAF COc1ccc(C(=O)NCc2ccon2)cc1OC1CCN(C(C)C)CC1 12570508 OWJBUTXWDFCFFU-UHFFFAOYSA-N 373.453 2.865 0 3 FFAF CCCCC[C@@H](O)C(=O)C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 169692736 INQZQTKUJUVDRN-WWXDPHGMSA-N 368.470 2.532 0 1 FFAF Cc1n[nH]c(C)c1-c1nc2cnccc2c(=NC(C)(C)CC(C)(C)O)[nH]1 1857540244 DWYBSXJVGDGHTK-UHFFFAOYSA-N 354.458 2.805 0 1 FFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCc2cccc(OC)c2)C1=O 3907335 JNRDKKHPGYSIDW-SFHVURJKSA-N 368.433 2.824 0 3 FFAF CCOC(=O)CCc1nc2nc(N3C[C@@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 3955111 JCRSCJRYTRCSHB-KBPBESRZSA-N 372.469 2.829 0 1 FFAF O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1 4198378 PRBKAWMEOCURRY-UHFFFAOYSA-N 355.448 2.970 0 3 FFAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@@H](C)[C@@H](O)c1cc2c(cc1O)OCO2 2356386827 XKIPVJSCMKBSDW-PUHBLERYSA-N 374.389 2.889 0 1 FFAF COc1ccccc1N1CCN(CC[C@H](O)COc2ccccc2)CC1 29481091 YLARZXKXRHGDEP-SFHVURJKSA-N 356.466 2.647 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@@H]3C2)n1 116822691 KYQDZVMSJLXAST-ZIAGYGMSSA-N 358.392 2.580 0 1 FFAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1 22941413 MKNRXBPDERAOEB-KRWDZBQOSA-N 367.468 2.921 0 1 FFAF COc1ccc2occ([C@@H](CC(=O)O)[C@H]3N(C)C(C)=C(C)N3O)c(=O)c2c1 2356817316 DJRQHIBPDZMJRN-YJYMSZOUSA-N 374.393 2.574 0 1 FFAF COc1cc(C[C@@H]2COC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14642015 LDYVVKWGJMWITK-SIFCLUCFSA-N 360.406 2.654 0 1 FFAF biogenic COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40845190 XVCPJTOXEFSVQO-LRJKXPEMSA-N 368.385 2.614 0 1 FFAF CCCc1nc2c(NCc3ccccc3)ncnc2n1CCNC(C)=O 82178660 XTJMLGWUNYXZGN-UHFFFAOYSA-N 352.442 2.527 0 1 FFAF CN(CC1CC1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146428330 IJODNESKXGTWIV-UHFFFAOYSA-N 351.397 2.808 0 1 FFAF CCOC(=O)N1CCC(CN2CC[C@@H](N3C(=O)Cc4ccccc43)C2)CC1 95591578 BPIMWCPHYBQONW-GOSISDBHSA-N 371.481 2.519 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnn(C)c1)CC2=O 587474785 ILKGIYVXHGBSIO-IBGZPJMESA-N 358.394 2.502 0 1 FFAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccnc(OC)c1)[C@@H](C2)C3=O 587437377 ZLFFJCYTYKKXPX-VBKZILBWSA-N 369.373 2.607 0 1 FFAF O=C(O)[C@H]1C(c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]1C(=O)O 587969791 AADWQNSUJJWJRW-HOTGVXAUSA-N 352.346 2.641 0 1 FFAF NS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036931 PMTYQAHXNWXLLN-ZDUSSCGKSA-N 351.478 2.651 0 1 FFAF CN(Cc1nc2ccnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169785 KQYFGRFWXYAZQJ-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF COc1ccc2c(c1OC)[C@@H](c1c(C)nn(C)c1N(C)C)N(C)[C@@H](C)C2 962625368 DVINHWACVZKQIB-KPZWWZAWSA-N 358.486 2.778 0 1 FFAF Cc1c(-c2ccc(Cl)cc2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772654814 WQRGHSSPNYUZEW-UHFFFAOYSA-N 364.854 2.773 0 1 FFAF C[C@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162142 YIPMKFWEORGSOZ-SPLYPSPSSA-N 360.406 2.614 0 1 FFAF Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 19172037 MXXRRQYMHUVGHJ-XQBPLPMBSA-N 361.445 2.921 0 1 FFAF N#CN1C[C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3F)[C@H]2C1 1857582318 DDFGJQDAKCUHFI-RNCFNFMXSA-N 358.295 2.743 0 1 FFAF O=C(Nc1ccccc1)N1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356385037 GVIUWLOHFVRGNX-DZGCQCFKSA-N 355.373 2.729 0 1 FFAF CN(CCNC(=O)Cn1ncc2c1-c1ccccc1OC2)C1CCCCC1 6805375 IMFPHCBUXBSICK-UHFFFAOYSA-N 368.481 2.823 0 1 FFAF CCOC(=O)c1ccc(NC(=O)c2cc3ccc(O)cc3oc2=O)cc1 58523723 ORCPJAVJSXYTJQ-UHFFFAOYSA-N 353.330 2.928 0 1 FFAF COc1cc2c(cc1OC)-c1cc(Nc3ccc(O)cc3)nc(=O)n1CC2 29248514 QOMFPDITFYBYAD-UHFFFAOYSA-N 365.389 2.933 0 1 FFAF C[C@@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26004751 XINKQFDGGDKFDS-QZTJIDSGSA-N 361.804 2.866 0 1 FFAF CCNc1nc2cc(Cl)c(-c3noc(CCO)n3)cc2nc1NCC 115765951 KTTKFJZGKWJHRB-UHFFFAOYSA-N 362.821 2.732 0 1 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@H](O)[C@]32C)C(=O)O[C@H](C2=CCC=C2)C1 2356779495 UGXXCRBYJNNERL-NTLWEQJWSA-N 356.418 2.908 0 1 FFAF COc1cc(C)c2c3c(c(O)c4c2c1[C@](C)(O)C4=O)C(C)(C)[C@](C)(O)O3 2356801894 RTQXOIUEMIKKMN-VQTJNVASSA-N 358.390 2.645 0 1 FFAF COc1ccc(CNC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 74377370 RQSIPQVANCMYJW-RBUKOAKNSA-N 365.433 2.948 0 3 FFAF COC(=O)[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 473135199 MKCWQWYIYCCVRR-APPDUMDISA-N 354.362 2.543 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c12 586880827 SWRNQYSONRCSKU-ZHACJKMWSA-N 371.418 2.578 0 1 FFAF FC(F)c1c(-c2nc3ccnc(Br)c3[nH]2)cnc2ncnn12 587129428 YYQPUHUWUYEMRB-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF CC[C@@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587759708 MEKXGKRXXJBALW-RFAUZJTJSA-N 353.239 2.905 0 1 FFAF C/C(=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NCCO 587755037 LOAILVBYTDVGNR-BARXAVIFSA-N 357.267 2.823 0 1 FFAF O=C(O)CCc1ccc(C[C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962924691 UQSFVVYDHGTHAU-MSOLQXFVSA-N 357.381 2.726 0 1 FFAF CC(C)N1CCC[C@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962642377 ZGVNNYVMUJYZDG-DOTOQJQBSA-N 372.387 2.884 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1C 13153497 LPCKYGOUPHLYKM-KZVWXAQQSA-N 365.429 2.652 0 1 FFAF O=C(NCc1ccc(F)cc1)c1nc(Cc2ccccc2)nc(O)c1O 14979598 ORTMGCCBERUBRQ-UHFFFAOYSA-N 353.353 2.548 0 1 FFAF O=C1CCc2cc(/C=C/C(=O)N3CC[C@@H](Oc4ccccc4)C3)cnc2N1 169707512 MIUDHBYEEHQKIE-AHKGRUIUSA-N 363.417 2.659 0 1 FFAF CN(C)c1ccc(CC(=O)N=c2ccn(Cc3ccc(F)c(F)c3)[nH]2)cc1 1857647885 KPGSICCPLOYMLZ-UHFFFAOYSA-N 370.403 2.879 0 1 FFAF CN=c1[nH]cc(C(=O)OCc2ccccc2C)c2nc(-c3ccco3)nn12 1857765591 PETISVOJANIGJP-UHFFFAOYSA-N 363.377 2.513 0 1 FFAF CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)N(CC(N)=O)C(=O)C1 4038589 BXYPLVYXLHDORU-UHFFFAOYSA-N 373.416 2.663 0 3 FFAF C[C@@H]1CCC[C@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)[C@@H]1C 6807624 FFXAWHZUOJBTLU-KFWWJZLASA-N 370.453 2.963 0 3 FFAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc[n+]([O-])c1 66113765 FTMXAQLXSXCMFL-HXUWFJFHSA-N 366.804 2.823 0 1 FFAF COc1ccc(CNC[C@@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cn1 2356615775 KIGODUOSUPIZKU-QGZVFWFLSA-N 368.412 2.781 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@@H]2NCc2cn(C)c3ccccc23)cc1 2356616406 VWFVJDSPVKKJKD-UVUJQTEASA-N 366.461 2.554 0 1 FFAF CC=C1CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@H]2C[C@H]1[C@@H]4C(=O)OC 2356616591 YNZQTHCMRFWODK-VFRYCMGASA-N 368.477 2.595 0 1 FFAF C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)C(C)(C)Br)cc1 27892503 FBMUFHZGBBPCPF-VIFPVBQESA-N 352.232 2.659 0 1 FFAF O=C(O)c1ccccc1[C@H]1SC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1 71317679 LYQBVIOEFCSPHI-DOTOQJQBSA-N 371.414 2.655 0 1 FFAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3 82196232 PNOZJHSEEQCYNA-UHFFFAOYSA-N 362.433 2.613 0 1 FFAF CN(C)Cc1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 40395591 WBZSSAWCKRYULA-UHFFFAOYSA-N 372.494 2.800 0 1 FFAF CCCc1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142074358 BURWGDGQWDXWKN-NWDGAFQWSA-N 360.418 2.966 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1nn(-c2ccccc2)cc1O 95557025 BHLJJYRNGIMXOT-INIZCTEOSA-N 365.389 2.832 0 1 FFAF COC(=O)C(CC1=NO[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@H]1c1ccccc1)C(=O)OC 299838996 PGLRECBJYKRCFG-HLULTAIVSA-N 371.433 2.923 0 1 FFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCS(N)(=O)=O 587859778 LSBXJUUSRURKMJ-UHFFFAOYSA-N 364.254 2.544 0 1 FFAF CCN1c2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CS1(=O)=O 587408784 DLVLLCLETFOWOW-IBGZPJMESA-N 372.446 2.608 0 1 FFAF N=c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c[nH]1 587017090 HUTLMLJONKKPNE-UHFFFAOYSA-N 365.418 2.856 0 1 FFAF COCCn1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587432124 NIYIVRGQSVKHDB-QRWLVFNGSA-N 356.422 2.818 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 587400507 QICIGTQIWQOBEN-QROBEVECSA-N 374.437 2.547 0 1 FFAF Cc1cc2ncc([C@@H]3c4nn(C)cc4CCN3C)n2cc1Br 963955713 RUJIYVZDLSNBKS-MRXNPFEDSA-N 360.259 2.716 0 1 FFAF Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=N)N)cc3)ccc12 1772620635 ZABNAHYHPRUTQR-UHFFFAOYSA-N 364.405 2.978 0 1 FFAF Cc1c(F)c(N2CC[C@@](C)(CN)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 13649765 BDHLFYRJPDRCBK-FQEVSTJZSA-N 373.428 2.657 0 1 FFAF CN(C)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 4303407 DFDVCLJTMPPTPP-UHFFFAOYSA-N 356.447 2.703 0 3 FFAF CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 101283318 DZRVEGIHLAFNGF-XKQJLSEDSA-N 368.474 2.995 0 1 FFAF Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@@H](C)C[C@H](C)C4)[nH]cc-3c2c1 100609987 UPNJBOFRBVYGBL-KBPBESRZSA-N 352.438 2.642 0 3 FFAF CCN1CCCC[C@@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 28644163 CCIDCSNKRNVVRH-CQSZACIVSA-N 374.416 2.504 0 1 FFAF CC(C)(C)[S@@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@H]1CCO 61943297 FDSKTHFLZUWLPV-DWXRJYCRSA-N 374.506 2.598 0 3 FFAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(C)[C@@]15[C@@H]2C)[C@H]43 2356460386 SKCXCVICRJKXBC-FHVSTCKFSA-N 350.462 2.586 0 1 FFAF C[C@@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@H]1C(=O)O 2356483113 WYPBFWKSQCZTAI-ZPNMRXEQSA-N 352.390 2.617 0 1 FFAF COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2ccncc2)CC3)c1 20918594 IPAMWTGSBYFJBU-UHFFFAOYSA-N 362.433 2.998 0 1 FFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccccc1 2356839674 LWWGVRLFLZSZRQ-ZHALLVOQSA-N 374.554 2.567 0 1 FFAF O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCN(CO)CC1 73163188 VOUPFUBYLLOTKE-UHFFFAOYSA-N 360.845 2.813 0 1 FFAF O=C(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CC1 72185745 QKFSMQVZXCLMLD-LJQANCHMSA-N 372.419 2.835 0 1 FFAF COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)c(Cl)c1O 14761010 HPOJWMIHHBGCAZ-UHFFFAOYSA-N 366.753 2.791 0 1 FFAF biogenic CS(=O)(=O)N(CCCCCCC(=O)O)CCCC1(O)CCCCC1 59948203 SMKCFOZBRPZEQP-UHFFFAOYSA-N 363.520 2.759 0 1 FFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN2CCCCC2)cc1 199939746 REZRJKSLDGFQIF-UHFFFAOYSA-N 362.499 2.824 0 1 FFAF COc1cc(O)cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)c1 238788407 HKMZDYJMJDPXRP-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nn1C 43525246 DPSKJSAYDSPXAH-OAGGEKHMSA-N 372.469 2.994 0 1 FFAF biogenic Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)Cn2ccnc2)nc1 299850389 CMYKHPWJTZZCFE-QGZVFWFLSA-N 351.410 2.914 0 1 FFAF OCCNc1nccc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653861202 YPRIYDYUUDNSQI-UHFFFAOYSA-N 372.860 2.997 0 1 FFAF O=c1c2ccccc2nc(-n2cncn2)n1-c1cccc(Br)c1 653912855 ITNZSLCIFMESSL-UHFFFAOYSA-N 368.194 2.729 0 1 FFAF O=C1COc2ccccc2N1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876992 YVBCQGTYAQJKMQ-UHFFFAOYSA-N 365.320 2.861 0 1 FFAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C(N)=O)c2[nH]1 587066980 KDGYRLLWMXJUKL-UHFFFAOYSA-N 359.769 2.715 0 1 FFAF FC(F)COc1cccc(-c2nc3nc(Br)c[nH]c-3n2)n1 587121895 AHIXEQVKUCATEZ-UHFFFAOYSA-N 356.130 2.773 0 1 FFAF COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587585947 IXSHVCDMANNAFQ-CRAIPNDOSA-N 350.330 2.894 0 1 FFAF c1cc2c(cc1-c1nc(Cc3nc4cnncc4[nH]3)cs1)OCCO2 587019239 VZDBVYIHTHHYIU-UHFFFAOYSA-N 351.391 2.838 0 1 FFAF CC1(C)OC(=O)C(c2nc3cc(Br)c(F)c(F)c3[nH]2)=C1N 587254968 ANOCUYGDSSLJKH-UHFFFAOYSA-N 358.142 2.609 0 1 FFAF O=C1CCc2cc3nc(CSc4ncccc4C(=O)O)[nH]c3cc2N1 586967823 GQNOFASBCBVZKG-UHFFFAOYSA-N 354.391 2.833 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCN1CCOCC1 587872255 IZMCXABYJFOPJA-UHFFFAOYSA-N 361.417 2.841 0 1 FFAF CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 587951682 IKWVALOJAVBPJW-HIFPTAJRSA-N 368.455 2.887 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@](Cn3ccnc3)(c3ccccc3)c3cccc1c32 963040018 ZXUMYJJROKDHTP-ZHRRBRCNSA-N 358.445 2.880 0 1 FFAF COc1cc(CCC[C@@H]2CCc3nc(N)nc(N)c32)cc(OC)c1OC 5888655 KMGSMVQZXMWFBL-GFCCVEGCSA-N 358.442 2.720 0 1 FFAF COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3OC)C2)c1 13123574 FGHYZCIPIICSGW-MRXNPFEDSA-N 365.393 2.813 0 1 FFAF Cc1ccc(CNC[C@H]2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1 13775978 DPKPCJJKKOEQBE-GOSISDBHSA-N 360.479 2.850 0 1 FFAF CCCN1CCN(c2ncc3c(n2)CCN(Cc2sccc2C)C3)CC1 15779567 SFUUNNWDKGNVSB-UHFFFAOYSA-N 371.554 2.937 0 1 FFAF O=C1NCCn2c(C3CCN(Cc4ccccc4)CC3)nc3cncc1c32 1857577113 ZEXCKQPPOYSAKB-UHFFFAOYSA-N 361.449 2.554 0 1 FFAF O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCCC1 1223318 RPETYQGPPJYDRD-UHFFFAOYSA-N 370.434 2.911 0 3 FFAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCOCC1 2356303562 XYAUHOYOVCDUSJ-SNVBAGLBSA-N 350.802 2.957 0 1 FFAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 4132207 PEFIOTKTVPRFFT-YSGRDPCXSA-N 368.433 2.985 0 1 FFAF COc1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 105611367 HOFGJNIUBPELBO-SYNHAJSKSA-N 352.390 2.662 0 1 FFAF CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204808 HYHDIQKLLBSXLB-FZMZJTMJSA-N 354.838 2.947 0 1 FFAF C[C@H](c1ncncc1Cl)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 26160402 HREKAMFFOJKWEL-HWPZZCPQSA-N 365.771 2.691 0 1 FFAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356527424 HKSGHIIBMAMKKZ-QLUFPOJOSA-N 350.499 2.537 0 1 FFAF COc1cc2c(cc1-c1coc3cc(O)c(OC)c(O)c3c1=O)OCO2 14437417 ZQPQGJMTUGTCFU-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF biogenic COC(=O)Cc1cc(O)cc2oc(-c3ccc(OC)c(OC)c3)cc(=O)c12 84669381 LJARRCSYGJEZQS-UHFFFAOYSA-N 370.357 2.898 0 1 FFAF Cc1cc(C2=C(c3ccc(F)cc3)C(=O)N[C@H]2C)cc2c1OCC(=O)N2 96283358 DBJLPZIAKOMATO-NSHDSACASA-N 352.365 2.894 0 1 FFAF COc1cc(N[C@@H](C)CCCNc2c(OC)c(=O)c2=O)c2ncccc2c1 653690008 SDRFJSLSMVDBEM-LBPRGKRZSA-N 369.421 2.541 0 1 FFAF O=S(=O)(O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587124504 ASUPNXSCCQNKLM-UHFFFAOYSA-N 364.345 2.750 0 1 FFAF CCOC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794843 HJOJPYRBZJCPDO-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF COCCO[C@@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867668 MDKPYPCQZPFFFD-JTQLQIEISA-N 373.331 2.664 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587773465 IZPNZPRNXTUNHF-CAAJLBCPSA-N 368.206 2.721 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c(Cc3cccnc3N)nc2c1 587254829 QHZBUSITUFVXTB-UHFFFAOYSA-N 361.199 2.680 0 1 FFAF CCOC(=O)CC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867286 AVQIHRVETIOIGY-UHFFFAOYSA-N 357.288 2.566 0 1 FFAF COc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc(O)c1O 142233609 LTUATTOUHAZXFL-UHFFFAOYSA-N 356.422 2.585 0 1 FFAF Cc1cnc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(S(C)(=O)=O)cc1 1772650870 JKBORZNOLHMWRZ-UHFFFAOYSA-N 372.446 2.732 0 1 FFAF COC(=O)c1cccc(C(C)C)c1CCCn1cnc2c1NC=NC[C@H]2O 13807710 RHDPBOUWWSXIQJ-QGZVFWFLSA-N 370.453 2.913 0 1 FFAF CC(C)NC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 606680 OWKPMYUDNCQDQO-MRXNPFEDSA-N 366.259 2.689 0 1 FFAF O=C1c2ccc(-c3ncc(-c4ccccc4)o3)cc2C(=O)N1c1ncn[nH]1 2454815 GRIJDKYXNLCBNT-UHFFFAOYSA-N 357.329 2.927 0 1 FFAF O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21 2461661 BAMMQNIXCASUNC-UHFFFAOYSA-N 354.431 2.921 0 3 FFAF COCCn1c(C)cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c1C 6800427 ABFQQLUQSFTYOB-UHFFFAOYSA-N 374.422 2.684 0 1 FFAF CNc1nc(C)c(C(=O)N2CCc3[nH]nc(-c4c(C)noc4C)c3C2)s1 23580931 CKMUWUKWPRKOPW-UHFFFAOYSA-N 372.454 2.687 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)C2C[C@@H]3CCC[C@H]3C2)CC1 28259209 LVSNRIKAZSXEPP-ROUUACIJSA-N 371.525 2.760 0 1 FFAF CN(C(=O)Cc1cccc(CN)c1)[C@H](CN1CCCC1)c1ccccc1 28476834 OTGRLUYAGSMECD-OAQYLSRUSA-N 351.494 2.983 0 1 FFAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2CO)c1 2356774108 QXMSVIXIQRDNOM-VQIMIIECSA-N 372.373 2.717 0 1 FFAF Cc1ccc(CN2CCC[C@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)o1 2356812480 MSBQBWLGWSGJMS-INIZCTEOSA-N 354.434 2.860 0 1 FFAF Cc1ccc(C(=O)CN2C=C(I)C=C[C]2N)cc1 2356854833 BVRCLSMGEKIQBX-UHFFFAOYSA-N 353.183 2.774 0 1 FFAF CCOc1ccc(-n2nc3c(N4CCN(C)CC4)nnc(C)c3c2C)cc1 72108755 JCYSWCIWXSTHOB-UHFFFAOYSA-N 366.469 2.583 0 1 FFAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCC(C)C)ncnc21 82177777 BAHAWOSPWGYZQR-UHFFFAOYSA-N 352.442 2.697 0 1 FFAF O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95794708 HMQRAVVURDTGQR-RTWAWAEBSA-N 362.473 2.752 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)[C@H]32)OCO4)cc1OC 253782955 REJMVOGSTMMWHW-MJXNMMHHSA-N 369.373 2.532 0 1 FFAF O=C1C[C@H](c2nc3ccc(CCO)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147859 CGGDFGISUONOOC-AWEZNQCLSA-N 371.387 2.892 0 1 FFAF CCOC(=O)Cc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586963023 WSJBOKKQFPJQCM-SECBINFHSA-N 373.438 2.600 0 1 FFAF COC(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1OC 586908371 ODBHACSOMBMJKG-UHFFFAOYSA-N 352.346 2.997 0 1 FFAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnccn1 12027838 LNYGXLTWWGCWCJ-AWEZNQCLSA-N 355.348 2.748 0 3 FFAF CN(CCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 12725766 JFTFVUCMFSVJDT-OAHLLOKOSA-N 364.433 2.517 0 3 FFAF CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](C2CC2)[C@H]1CCCO 13656971 RZSLEXUHXSIRRI-DBXWQHBBSA-N 359.466 2.994 0 3 FFAF Fc1ccc([C@@]2(CNc3ccc(Oc4nnn[nH]4)cc3)CCOC2)cc1 19739954 SCGZJSOFKXDBMP-GOSISDBHSA-N 355.373 2.901 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 169295303 ZGINMMAZDQRTDJ-JJOVQBGZSA-N 353.462 2.960 0 1 FFAF C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(CF)c2c(O)nc(=O)[nH]c21 1857641128 IKXUQDQGFGOUFF-ZETCQYMHSA-N 356.279 2.923 0 1 FFAF O=C(NC[C@@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 2467467 DDCRJDFEKDNMLM-QFBILLFUSA-N 350.418 2.679 0 1 FFAF CCOc1ccc(NC(=O)[C@@H](CC)NC(=O)c2ccccc2CO)cc1 4035777 VZYCOJDMZSWARY-GOSISDBHSA-N 356.422 2.725 0 3 FFAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)cc1 114344908 OHUFXMWOWSOHFW-MRXNPFEDSA-N 353.401 2.583 0 1 FFAF CC(C)=C[C@@H]1OC(=O)C(=CC[C@H](O)C(C)=CCCC(C)=CCO)[C@H]1O 2356522891 XTDIHRJVDHZHKP-GBESFXJTSA-N 350.455 2.581 0 1 FFAF COC(=O)C1=C2[C@@H](CCC[C@@]2(C)C(=O)OC)c2cc(C(=O)OC)ccc21 2356650507 IONOIRYNAZYUIR-RNODOKPDSA-N 358.390 2.860 0 1 FFAF CC(C)C[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)ccc1c2=O 61921415 VSWSNBQYQGIEJG-OAHLLOKOSA-N 352.369 2.750 0 3 FFAF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H](C4=CC(=O)O[C@@H]4O)O[C@@]3(CO)CC[C@H]12 39160166 KRFXWKURJSADKH-QAINLGQKSA-N 350.455 2.551 0 1 FFAF CC(=O)NCc1cccc(OC[C@@H](O)CN[C@@H]2CCCc3ccccc32)c1 78938075 GKJFXXMZVOZBNL-SIKLNZKXSA-N 368.477 2.730 0 1 FFAF in-vitro Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccncc1 40845477 KTFLXXVWZVFMFM-UHFFFAOYSA-N 351.362 2.772 0 1 FFAF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc(OC)cc2)C1 84710053 WKEWUADLRJKXFO-UHFFFAOYSA-N 358.438 2.781 0 1 FFAF COC(=O)[C@@H]1CS[C@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49035763 FVPMMSSRRBTXRI-ZWKOTPCHSA-N 364.511 2.818 0 1 FFAF COC(=O)c1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2cn1 587928557 JYEXXYDUMIUSHV-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF COc1nccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587198122 YRAVZOJKGAGGDR-GFCCVEGCSA-N 362.430 2.883 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1n[nH]c(=N)s1)(C1CC1)O2 587413875 QQPGTDZLQOGZAB-MRXNPFEDSA-N 362.480 2.748 0 1 FFAF N[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOC1 587247826 ZJZGLWORQYYXCX-NSHDSACASA-N 361.037 2.662 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586881272 VKQNDOAEKITFBF-KHPPLWFESA-N 371.418 2.682 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089602 VGYKLCABMVITHX-UHFFFAOYSA-N 353.341 2.950 0 1 FFAF CN1C(=O)C[C@H]2CN[C@]3(CCN(c4ccc(F)cc4)C3)c3cccc1c32 963020269 FAMFYKHPUGYTEC-QKKBWIMNSA-N 351.425 2.985 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2C/C=C/C[C@@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169297764 PNDBSKWNNXDDGR-OIFZNTHKSA-N 368.813 2.707 0 1 FFAF CS(=O)(=O)N1CCCC[C@@H]1[C@@H](O)Cn1c2ccccc2c2ccccc21 148471726 AITVKXKDZNBQNA-UXHICEINSA-N 372.490 2.970 0 1 FFAF Cc1ccsc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccccn2)c1C 11665045 XPQKMTZZULWPQX-GFCCVEGCSA-N 362.480 2.985 0 1 FFAF CCOC(=O)C1=C(C)c2ccccc2N(C(=O)OC)[C@@]1(C)C(=O)OCC 13814100 RQSALVQSWLKZPN-LJQANCHMSA-N 361.394 2.931 0 3 FFAF CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(-c2cnccn2)no1 15961734 LSOWSAZISWXUGH-UHFFFAOYSA-N 355.789 2.688 0 3 FFAF O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2CCc1ccc(Br)cc1 169295735 MYVMDLNNVMLPQJ-MGBPQHPCSA-N 358.279 2.752 0 1 FFAF CC[C@@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@H](O)[C@H](O)CCCC(=O)O 169622094 JQFGUBLRJFEKMI-WYDBISKXSA-N 350.455 2.905 0 1 FFAF CC(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167383038 FZGRHHSSRINYHI-LJQANCHMSA-N 366.421 2.629 0 1 FFAF NCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21 3927097 IQEJNMFCUWSNIB-UHFFFAOYSA-N 351.431 2.981 0 1 FFAF COc1ccc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2CO)cc1OC 2356375675 IATWXYMZKVGQLC-UZLBHIALSA-N 372.417 2.928 0 1 FFAF Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)no1 100705133 GARMBGYAVPDUEL-UHFFFAOYSA-N 369.406 2.806 0 1 FFAF C[C@](CO)(Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 2356315370 RGVFPSRGEDEIBA-IIBYNOLFSA-N 372.417 2.536 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632457 NGDBOMGGLJOGAD-GUYCJALGSA-N 367.474 2.943 0 1 FFAF COc1ccc(-c2nncn2-c2cc(OC)c(OC)c(OC)c2)cc1N 26851235 LJEWNMLTAZMRSE-UHFFFAOYSA-N 356.382 2.551 0 1 FFAF C[C@@H](O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 22929254 HEEAFEFXEKSWBC-QMTHXVAHSA-N 370.337 2.921 0 3 FFAF COc1cc(CN(C)C2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 118733297 DYAMOFJDHZYCRV-UHFFFAOYSA-N 357.454 2.506 0 1 FFAF CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2356572919 SLWSWKGGZQCLDU-SZMVWBNQSA-N 373.449 2.846 0 1 FFAF CCS(=O)(=O)C[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890406 SJYZUVOETCPIFV-CYBMUJFWSA-N 351.255 2.522 0 1 FFAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CC(=O)N4CC[C@@]12[C@H]3CC5 2356716638 SSPSJUOUNMQACS-ZXNZYJFHSA-N 366.417 2.613 0 1 FFAF CC(=O)Nc1n[nH]c2c(F)c(NC(=O)N[C@H](C)c3ccccc3)ncc12 210709456 YIXAYVWQAGCWRP-SECBINFHSA-N 356.361 2.938 0 1 FFAF CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 35942289 GTTZQULJQRNNER-HNNXBMFYSA-N 358.463 2.940 0 1 FFAF O=C(NC1(CO)CCCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 218908118 PBMFBAGKYCXWOV-DGCLKSJQSA-N 373.403 2.845 0 1 FFAF CCNC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103795 ZYRODNPCJHYLIK-KRWDZBQOSA-N 359.861 2.567 0 1 FFAF COc1ccc([C@@H](O)[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 40563725 KLRIVPGGWAEQKR-VQTJNVASSA-N 359.422 2.641 0 1 FFAF Cn1c(CCCCCCCCCCCCc2noc(=O)n2C)noc1=O 45288834 UAOCYYRHMSNNKV-UHFFFAOYSA-N 366.462 2.746 0 1 FFAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCNC(C)=O 82180479 SKYLUACLSPBOEJ-UHFFFAOYSA-N 366.469 2.835 0 1 FFAF CCN([C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O 254016255 HTQUXMHARCVJED-SRCQZFHVSA-N 360.470 2.675 0 1 FFAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@H]1[C@@H]2C(=O)OC 257431493 GZTGPKOSHVZHKN-JFMPXYMASA-N 356.466 2.893 0 1 FFAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 85618309 LAFREGHROJJWDK-MRFFXTKBSA-N 368.385 2.910 0 1 FFAF biogenic,in-vitro CC(C)C[C@H](NO)NC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 35280499 CTIWPWKPYDQLCB-PMACEKPBSA-N 371.481 2.560 0 1 FFAF biogenic COc1cc2[nH]c3c(c2cc1C)C[C@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C 653810032 OYPMFJQCOUWFGF-ZLIFDBKOSA-N 369.465 2.844 0 1 FFAF CCCn1cc(Cl)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587651246 FPXALXDDZMMDLD-UHFFFAOYSA-N 351.193 2.998 0 1 FFAF CCN1C=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 587770511 CXLQMALXGQUWMJ-MGPLVRAMSA-N 352.251 2.967 0 1 FFAF CS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c(F)c1 587651864 QCPIJMDMEZOCRD-UHFFFAOYSA-N 352.774 2.582 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587202048 BCICOYDKHZWHCU-VIFPVBQESA-N 358.776 2.573 0 1 FFAF CCOC(=O)[C@@H]1CCc2ccccc2[C@]12NCCc1c(C(=O)O)cccc12 963125285 SPZMQNNXTFKQEG-SIKLNZKXSA-N 365.429 2.900 0 1 FFAF Cc1cn(C2CCN(Cc3cncc4ccccc34)CC2)c(=O)nc1O 1772643323 NTYSTSZEZFEGLH-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 12356217 IHWWUTUWDXAPEO-UHFFFAOYSA-N 366.509 2.778 0 1 FFAF CCCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447198 MFEPLQRCNZKDLZ-CQSZACIVSA-N 354.834 2.610 0 1 FFAF Cc1nc(C(=O)N2CCOCC2)sc1[C@]1(C)CC(c2ccccc2)=NO1 13478246 GXNXQOLLARWYAR-IBGZPJMESA-N 371.462 2.964 0 3 FFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(C)C 13534695 QVRAWKWQEGMKLD-KRWDZBQOSA-N 365.426 2.969 0 1 FFAF Cc1ccc2onc(CNC(=O)NCCN3CCc4ccccc4C3)c2c1 6866135 OKYUGCHWNIENRT-UHFFFAOYSA-N 364.449 2.994 0 1 FFAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 8661209 WZJDWCJBFDFSLU-IAGOWNOFSA-N 356.447 2.517 0 1 FFAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356305969 XABKFXJAZDZBDA-KGLIPLIRSA-N 358.442 2.636 0 1 FFAF COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c(OC)c1OC 28104309 CRDNKGKVKBXFHO-UHFFFAOYSA-N 367.365 2.659 0 1 FFAF CC(C)(CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12 28820834 FADJUQJQYNAWDQ-UHFFFAOYSA-N 351.457 2.737 0 1 FFAF CS(=O)(=O)c1ccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336743 XKFGCNGELSXIMD-KRWDZBQOSA-N 370.478 2.653 0 1 FFAF CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)nc2)c(O)cc1O 115807075 NVMBIWCXTPFOQL-UHFFFAOYSA-N 355.398 2.636 0 1 FFAF Cc1ccc(OS(=O)(=O)c2ccc(N3CCN(C)C3=O)cc2)c(C)c1 118392666 LVMDABRBVVZATB-UHFFFAOYSA-N 360.435 2.943 0 1 FFAF COc1cc(C[C@@H]2COC[C@H]2[C@@H](O)c2ccc3c(c2)OCO3)ccc1O 2356641637 WTGJOVWSHSCACR-SXGZJXTBSA-N 358.390 2.668 0 1 FFAF COc1cc(OC)c(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC 14436599 WGBYXADIGKYTAA-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1cc(C[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)ccc1O 14642143 VVKJZDWKHOGKOG-VWKPWSFCSA-N 374.433 2.957 0 1 FFAF biogenic Cc1ccc(N(C)C)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 226039437 NQQBBJXZLPRCDS-ULQDDVLXSA-N 366.465 2.923 0 1 FFAF COCCn1cc(C(=O)C(=O)Nc2ccnc(OC)c2)c2ccccc21 653793691 UCVWDRMYHSZOHR-UHFFFAOYSA-N 353.378 2.513 0 1 FFAF NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530054 DGKVFAYJCOZFHF-SFHVURJKSA-N 357.431 2.919 0 1 FFAF COC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2n1 587177897 FJXGEJDUHQPFIU-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(C(O)O)CC2=O 587465719 HHVUQYARNHLVDX-IBGZPJMESA-N 364.344 2.794 0 1 FFAF C[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173810 JSEZHLSCRVGNJI-GOSISDBHSA-N 352.325 2.912 0 1 FFAF CC(=O)N[C@@H](Cc1nc2c(N)ccnc2[nH]1)c1ccc(Br)cc1 586984006 BLHKUVLPDOJKHL-ZDUSSCGKSA-N 374.242 2.723 0 1 FFAF NC(=O)N1CCc2sccc2[C@@]1(CC(=O)CCC(=O)O)c1ccccc1 962712073 NOVQXJSEAJINGM-LJQANCHMSA-N 372.446 2.753 0 1 FFAF Cc1oncc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 12092083 WSKRYDRZTHVTPC-GOSISDBHSA-N 350.365 2.719 0 3 FFAF O=C1c2ccccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Cl)cc1 13737595 NXUWEJFLRFLSFK-IBGZPJMESA-N 368.776 2.647 0 1 FFAF CC(=O)Oc1ccc2nc(-c3ccc(Cl)cc3)n(CC(=O)N(C)C)c2n1 13824879 WVEPMNJDWGTRCV-UHFFFAOYSA-N 372.812 2.765 0 1 FFAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccccc2)Oc2ccccc21 2356298907 JIATYJADJITZKO-PKOBYXMFSA-N 352.434 2.702 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305911 SERBDVPJCHKGDF-QWHCGFSZSA-N 359.401 2.594 0 1 FFAF CC=C(C)C(=O)O[C@@H]1[C@H](C(C)(C)O)CC[C@H](C)CCC[C@](C)(O)[C@@H]1O 2356416363 QWQGNRPTPFJNKA-RZRATATOSA-N 356.503 2.964 0 1 FFAF CC(=O)Oc1cc(C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)oc(=O)c1 2356462473 SRTSQQDSWZIXHU-UHFFFAOYSA-N 372.329 2.586 0 1 FFAF COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@H]2O)c1 8681883 ALNBBVCAIQVVKF-XHSDSOJGSA-N 351.196 2.986 0 1 FFAF CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 53295668 FMPFRHFXEJRKAA-UHFFFAOYSA-N 373.438 2.664 0 1 FFAF O=C([C@H](O)c1ccc(Cl)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1 28891539 SXIQBPDOSGYNFP-GOSISDBHSA-N 370.840 2.599 0 1 FFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1csc(-c2ncccn2)n1 117732644 RGUOCWNIRSTUBQ-HNNXBMFYSA-N 367.434 2.513 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@]14COC(=O)[C@@H]1C=C[C@@H](O3)[C@H]42 2356500013 MIKHBQGTXJCMIO-ZKVMNAJDSA-N 356.374 2.551 0 1 FFAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCCP(=O)(O)O)C(=O)OC2 36338578 ZUCGXURBMIPEHM-UXBLZVDNSA-N 370.338 2.826 0 1 FFAF C=CC(C)(C)[C@]12C[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12 14860731 GFKUCJKLCHSSJN-IIZJSDIPSA-N 353.466 2.644 0 1 FFAF biogenic Cc1noc(C)c1-c1ccc2c(c1)[C@](NCCO)(c1ccccc1)C(=O)N2 219258380 NKMNLZBBDPWHJS-OAQYLSRUSA-N 363.417 2.736 0 1 FFAF O=C1CN(S(=O)(=O)c2cccc3cccnc23)c2cc(F)ccc2N1 40918719 JWPSPPVSIITPLS-UHFFFAOYSA-N 357.366 2.521 0 1 FFAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@@](O)(C(F)(F)F)C1 146427395 PKDOXNQAGIORSR-KRWDZBQOSA-N 370.371 2.887 0 1 FFAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5n[nH]cc5C)c4[nH]3)ccc21 142772509 SXJMRAFZUXRZER-UHFFFAOYSA-N 359.393 2.758 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N=c1cc[nH]cc1 587868998 ZPYNFDKQRNNHLT-UHFFFAOYSA-N 363.299 2.870 0 1 FFAF N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl 587058807 ZLVSPRDEAIZLJG-VIFPVBQESA-N 352.623 2.963 0 1 FFAF COCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599733 ZNMUWRFAWACDKF-XLIONFOSSA-N 372.373 2.692 0 1 FFAF COC(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587408723 NZAQODWAUBXJTF-FQEVSTJZSA-N 369.373 2.730 0 1 FFAF CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573273 SMZGWPLUNSTQHI-LJHODMEESA-N 371.345 2.811 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)nc2O)N1 587776019 VMQLKAJSYPJWHJ-NZFNHWASSA-N 368.206 2.587 0 1 FFAF COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@H]1C(=O)O)CC5 587211703 HVOWUXIIZZXGCZ-QEORTHHSSA-N 366.417 2.905 0 1 FFAF COCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797525 VWOMNJUKAFEQKF-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799639 SZRDENPJPGHEQJ-XXFAHNHDSA-N 372.234 2.860 0 1 FFAF CCOC(=O)c1c[nH]nc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962564192 GPGFJGYRYGYQMT-APPDUMDISA-N 359.426 2.569 0 1 FFAF CN(C)CC1CCN([C@H]2CCC[C@@]3(C2)NCCc2ccc(O)cc23)CC1 963341629 NTSTZFUBTYVQOD-UGKGYDQZSA-N 357.542 2.949 0 1 FFAF O=S1(=O)CCC[C@@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962709681 OUFRQMNYOLYJEM-CXAGYDPISA-N 355.500 2.593 0 1 FFAF COc1ccc(CNc2ccc3c(c2)c(=O)n(C)c(=O)n3CC(C)C)cc1 13603210 OLFZQUABMOBPHC-UHFFFAOYSA-N 367.449 2.977 0 1 FFAF COc1c(O)cc2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c2c1OC 14436920 KNMBMVIRNMTOOU-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF biogenic CC(=O)[C@@H]1CC[C@@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356490900 YVKJIENODNSQSU-UPYGWULESA-N 350.499 2.825 0 1 FFAF CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@H](O)OC4=O)C(=O)C[C@@H]12 14859439 RCYGSCAXXOLSIX-WLJAHRKQSA-N 360.406 2.716 0 1 FFAF biogenic COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(I)c1)N2 261102324 GPTFOAJWBIXTMY-IGQOVBAYSA-N 371.218 2.688 0 1 FFAF O=C(NC[C@@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261127448 KMNXWUHUDOLURT-NSHDSACASA-N 355.373 2.922 0 1 FFAF CCN(CC)C(=O)COc1cc(F)c(CC(=O)OC(C)C)cc1OC 299841275 YXIWMVBEQOKDIX-UHFFFAOYSA-N 355.406 2.576 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 586930168 GVKOOCYHUOTOKS-UHFFFAOYSA-N 365.846 2.655 0 1 FFAF N=c1[nH]c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc-2c(Cl)[nH]1 587120060 PFAOHKJCINHLJW-UHFFFAOYSA-N 371.754 2.513 0 1 FFAF N=c1[nH]ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587002418 ZXOYJXLQCGVMLD-NSHDSACASA-N 371.242 2.857 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(n1)NC(=O)CO3)CC2=O 587488270 ZGFRVGUCNJSJTE-MRXNPFEDSA-N 354.362 2.777 0 1 FFAF COc1ccc(-c2nc3ncc[nH]c-3n2)c(I)c1 587180655 WDGBEWZOAGJEFM-UHFFFAOYSA-N 352.135 2.585 0 1 FFAF COCCN1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768245 MBZNQGVNEIYMKH-BZNIZROVSA-N 357.267 2.670 0 1 FFAF CN1CCN(c2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)CC1 587154005 ITXYVRGSJKNSRL-KKSFZXQISA-N 365.456 2.795 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H]2N 587388513 CJNDGAXYBPSKIN-MGPUTAFESA-N 354.406 2.859 0 1 FFAF Cc1cc2c(cc1F)[C@@]1(CS(=O)(=O)Oc3ccc(Cl)cc31)NCC2 962379949 VWXFFUIJDAUAID-QGZVFWFLSA-N 367.829 2.899 0 1 FFAF COc1ccc2c(c1OC)[C@]1(c3ccc(F)cc3C[C@@H]1N)N(C)[C@@H](C)C2 962618944 CPYVHQSPAAYZKM-JPHFQCMKSA-N 356.441 2.846 0 1 FFAF CN(C(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1)C1CCC1 1772582325 CSDYQDALCGOINZ-UHFFFAOYSA-N 365.437 2.599 0 1 FFAF Cn1nnc(O)c1C(=O)Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F 1772593533 QOWIYOLJRSDENK-UHFFFAOYSA-N 366.274 2.996 0 1 FFAF CN[C@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO 1772648990 HPBCFIIQRFMWKG-HNAYVOBHSA-N 356.447 2.618 0 1 FFAF O=C(O[C@@H]1CCN(CCCF)C1)C(O)(c1ccccc1)c1ccccc1 13835343 WYSIZCDNOQOVQV-LJQANCHMSA-N 357.425 2.900 0 1 FFAF CC[C@H]1C[C@H]2CN3C(=O)Cc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 14930512 DBGKTLXHLPFTPZ-YDBSYXHISA-N 352.434 2.782 0 1 FFAF CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(c3cncc(N)c3)C2)cc1 1857594301 WDRNIMRVWAQNQZ-ZDUSSCGKSA-N 367.453 2.882 0 1 FFAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccc(O)cc14)[C@@H]32 2356441036 BCQPXUWNKBYVDE-PCCBWWKXSA-N 352.434 2.927 0 1 FFAF COC(=O)[C@]12CCC[C@]3(OC)C=CCN(CCc4c1[nH]c1ccccc41)[C@H]32 2356374941 KVLQNTRAADGZNE-BAGYTPMASA-N 366.461 2.944 0 1 FFAF O=C1O[C@H](CCc2ccccc2)C[C@H](O)[C@H]1[C@H](O)C=Cc1ccccc1 2356379208 LOSIRASUEKGOFD-MXEMCNAFSA-N 352.430 2.986 0 1 FFAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4049244 PTPNDMHGALUWIQ-AZUAARDMSA-N 367.449 2.974 0 1 FFAF COC[C@H]1CCCN1C(=O)c1c(-c2ccc(OC)cc2)noc1[C@@H](C)O 2356295146 TXAIBRPDAAKMMB-TZMCWYRMSA-N 360.410 2.655 0 1 FFAF CC(C)NC[C@H](O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 29557170 WABFVRBFEFLNTL-HNNXBMFYSA-N 369.417 2.903 0 1 FFAF CNC(=O)[C@@H]1CCC[C@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132503 FMHSEGKHJWNGGA-HUUCEWRRSA-N 350.426 2.526 0 1 FFAF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(Br)cc1 71341164 WYOAADXIFMPPMO-BBRMVZONSA-N 367.195 2.553 0 1 FFAF Cc1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1S(=O)(=O)N1CCOCC1 40918412 RZRSQMNUWQQCPS-UHFFFAOYSA-N 363.483 2.704 0 1 FFAF CCc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 224955016 PMFVTAQWEMKDLC-ZDUSSCGKSA-N 369.444 2.639 0 1 FFAF COc1cn(CC(F)(F)F)nc(-c2ccnn2-c2ccccc2)c1=O 148631051 UGVZZMAOENVVLZ-UHFFFAOYSA-N 350.300 2.667 0 1 FFAF CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccccn23)nc(C)n1 95556217 UVYODFKMMWFOEC-UHFFFAOYSA-N 362.397 2.535 0 1 FFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95667178 MRYRMEABGAMLAI-WOJBJXKFSA-N 371.525 2.811 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC)C(=O)CC)cc1 95895126 ZVXAIOOMSLUWQB-WNRAFBRASA-N 358.482 2.653 0 1 FFAF CNC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3F)ccc2O)CC1 621476419 SFOPFGHCLROFRX-UHFFFAOYSA-N 374.387 2.936 0 1 FFAF CCOC(=O)[C@@H](C(=O)NCCc1ccccc1)N1C=Cc2ccccc2C1 299864912 SCNZCKSGTXMFEG-HXUWFJFHSA-N 364.445 2.764 0 1 FFAF COC(=O)c1cccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587131459 JBVQLSQZMLTJLI-UHFFFAOYSA-N 352.337 2.968 0 1 FFAF CCCc1c(O)ccc2c1OC1(CC2=O)C2(C)CN3CCN(C2)CC1(C)C3 587480572 DEWDAOMTLUGTMT-UHFFFAOYSA-N 370.493 2.706 0 1 FFAF CN(C)C(=O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587196716 AXQRCJCDJJXUCQ-UHFFFAOYSA-N 350.138 2.975 0 1 FFAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 586890308 OCXYSQFKLSXPHB-UGSOOPFHSA-N 373.478 2.959 0 1 FFAF Nc1cccc(C(=O)O)c1-c1nc2c(F)cnc(Br)c2[nH]1 587248574 UIQSHXRLQUKXIX-UHFFFAOYSA-N 351.135 2.807 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](O)NC(C)=O)CC2=O 587471584 UFMMVMOVJHJVJT-SFTDATJTSA-N 369.417 2.660 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)cc1 587224790 JYNSLQMSOTZQRR-UHFFFAOYSA-N 353.378 2.992 0 1 FFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2C12C=COC=C2 963133816 CNGQPDGHLZLVJF-LLVKDONJSA-N 350.396 2.642 0 1 FFAF O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCCC[C@H]3[C@H]12 5850115 NEGRAHAFWROCCX-HPBDAGMYSA-N 361.463 2.648 0 1 FFAF O=C(/C=C/c1ccccn1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 12078129 OLAACMSXUHZEHJ-SUQGKYDKSA-N 358.401 2.672 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 169296756 YKLKQIKUUSJQGC-INRFCZIPSA-N 365.429 2.652 0 1 FFAF Cn1cc(-c2cc3c(-c4cccc(NC5CCNCC5)n4)n[nH]c3cn2)cn1 205242444 CXLUPXYBLQPJNM-UHFFFAOYSA-N 374.452 2.584 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 1857560816 FIDRRYSVIRIHOV-UXHICEINSA-N 373.449 2.829 0 1 FFAF COc1ccc2c(c1)CN[C@@H](C(=O)N[C@H](CN1CCC(C)CC1)C(C)C)C2 1857748508 RZFJGNOPKLLRRL-NHCUHLMSSA-N 373.541 2.582 0 1 FFAF C[C@]1(C(=O)NC[C@@H](O)c2ccccc2)CON=C1c1cccc(Cl)c1 772719 GUQIPQUQNMLHQN-APWZRJJASA-N 358.825 2.930 0 1 FFAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 1656451 OHRKKMFZDUDWQZ-BBWFWOEESA-N 369.465 2.686 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 100106341 UYPAGVRGGOFREW-XKGPBXANSA-N 354.475 2.848 0 1 FFAF Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2CCCCOCC(=O)O)cc1 28232725 LZDSMSIGSRGFHQ-KRWDZBQOSA-N 367.467 2.634 0 1 FFAF CC(=O)NC1(c2ccc(CN3CCN(c4cccc(F)n4)CC3)cc2)CC1 27999321 ULTPDJNWSOZMJX-UHFFFAOYSA-N 368.456 2.668 0 1 FFAF CC1(C)CCC[C@]23[C@H](CCC4=C[C@@H](O)OC4=O)[C@](C)(CC[C@H]12)O[C@H]3O 2356803154 WUDFSAICFQNOQL-MICFHTSLSA-N 350.455 2.898 0 1 FFAF CCOc1ccc2[nH]nc(-c3cc(N4CCN(CC)CC4)ncn3)c2c1 221342297 VPROAOMHKXZDJT-UHFFFAOYSA-N 352.442 2.561 0 1 FFAF CC(C)=CC(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1 199719926 NMNHITXGHRRWJW-UHFFFAOYSA-N 368.433 2.937 0 3 FFAF COCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4)cc3[C@@H]21 95877915 MNEPSXDACLWTKA-NQSCKRDGSA-N 366.461 2.700 0 1 FFAF CC[C@]1(O)C[C@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C2)C1 38930592 GKWYINOZGDHWRA-ZVGUJKQYSA-N 356.466 2.834 0 1 FFAF biogenic CN(C)c1ccc(NC(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)cc1 473152330 SXEHJATXSTUNNA-UHFFFAOYSA-N 351.362 2.957 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC1OCCO1)[C@@H](C2)C3=O 587455477 NNPXQEVXGRRUNE-BTYIYWSLSA-N 368.385 2.936 0 1 FFAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587048922 CYOSPPZKMLKQRH-UHFFFAOYSA-N 353.773 2.817 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 587026971 NVPRYLBRWOIYBS-HNNXBMFYSA-N 364.496 2.751 0 1 FFAF Oc1nncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999018 RZWZNLBVHIMOJP-UPHRSURJSA-N 361.155 2.720 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1nccn1C)[C@@H](C2)C3=O 587431642 PULKYDXHECJZKY-KKSFZXQISA-N 361.401 2.702 0 1 FFAF Cc1nn(-c2cccc3ccccc23)nc1C(=O)N1CCC(CO)CC1 1772612206 TUGGIZNXOZCMIP-UHFFFAOYSA-N 350.422 2.573 0 1 FFAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 11950897 UVZRCZILPIBOED-INIZCTEOSA-N 367.380 2.648 0 3 FFAF CCO[C@H]1OC(C(=O)O)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO 13118542 JIUSYCFPERALRA-HKMRUAMVSA-N 374.389 2.627 0 3 FFAF COC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)O 1857767093 RESRLMJSUFWZIS-SFHVURJKSA-N 371.433 2.756 0 1 FFAF COc1ccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)cc1OC 146308061 MGJUPRGMKHMAOC-UHFFFAOYSA-N 366.417 2.887 0 1 FFAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)N1CCOCC1 772258 WZWQGNXLMJHEPV-DOTOQJQBSA-N 360.797 2.884 0 1 FFAF CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)nc3)o2)cc1 3926350 CEDFSFQZYNSBMX-UHFFFAOYSA-N 365.393 2.961 0 1 FFAF COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O 2356418211 ZNNJYKFHWZLLTN-IPLQJCBTSA-N 364.482 2.596 0 1 FFAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1CCOC[C@@H]12 103253326 XHIKAANVFPHWTD-IEZWGBDMSA-N 371.824 2.740 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F 102942680 PBLGFANTKXXPDP-GFCCVEGCSA-N 373.287 2.801 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@@]2(O)C[N@]12 2356471521 YXDQYQYESXZUJA-CEXYEJIFSA-N 354.494 2.916 0 1 FFAF CNCCCN1Cc2ccccc2N(c2ccc(OC)cc2)S1(=O)=O 49053907 FZUUUZNHPYGRAL-UHFFFAOYSA-N 361.467 2.503 0 1 FFAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]2(C)[C@@H]1C(=O)CO 40476732 DKATUDLICUZKEG-FUFXRNRPSA-N 358.478 2.689 0 1 FFAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@@]21N=C(N)N(C)O1 142032599 IIRSHWRFBYAKOT-LFNLJPBCSA-N 371.481 2.951 0 1 FFAF O=C(NCCCn1ccnc1)O[C@H](Cn1ccnc1)c1ccc(F)cc1 299826808 IAYURHVUHOVFID-QGZVFWFLSA-N 357.389 2.777 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586929522 DWCMCMHJFWRNQV-UHFFFAOYSA-N 357.222 2.720 0 1 FFAF CCOC(=O)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989450 JGDMALLBMNXFGU-UHFFFAOYSA-N 361.353 2.827 0 1 FFAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421331 PBZWTZYYYOTGHP-YJYMSZOUSA-N 373.792 2.950 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)[nH]c12 587786538 RFHJKHGCHCJNKW-KBPBESRZSA-N 351.362 2.688 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@H]31 587106128 IKGZRJIZIJVZKL-YRVVQQKDSA-N 356.381 2.759 0 1 FFAF CN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347968 VWURQEXTYVSVPD-QUCCMNQESA-N 355.365 2.881 0 1 FFAF O=C(N[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166376087 LLQUKFWPZYSIED-QGZVFWFLSA-N 366.421 2.538 0 1 FFAF CN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1 203540758 QTVGNPXEBWPNEP-ZDUSSCGKSA-N 372.375 2.788 0 1 FFAF CCCCCn1nnnc1[C@]1(C)CCSCC(=O)N1Cc1ccco1 203465791 GCUILLRYNUDKIS-KRWDZBQOSA-N 363.487 2.837 0 3 FFAF CCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OC)CCCC3 203469008 GLIQQGBGRPTWPD-FOIQADDNSA-N 362.470 2.533 0 3 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 1565133 MMMDVGMDEBDBOH-BRRGDZDMSA-N 352.434 2.782 0 1 FFAF Cc1cc(C)cc(SC2=C(C(C)C)C(=O)NC(=O)[C@@H]2COCCO)c1 102808773 VNZUEWWSRMNKNI-OAHLLOKOSA-N 363.479 2.587 0 1 FFAF CN(C)C[C@H](COc1ccccc1CCc1ccccc1)OCC(=O)O 29487864 XPFCBFOTOBVLQQ-LJQANCHMSA-N 357.450 2.882 0 1 FFAF CNC[C@@H](O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28374288 NDMANJISKBTRSL-LLVKDONJSA-N 353.850 2.594 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c(OC)c1 74377949 VTTPFYFIAXNGRG-HKUYNNGSSA-N 366.417 2.887 0 3 FFAF c1cn2c(-c3cn[nH]c3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1 73298361 LRTDHGYWAOVTQF-UHFFFAOYSA-N 361.409 2.700 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 85924039 KAYRJPGARKNUEX-PXMCMGKCSA-N 356.418 2.874 0 1 FFAF endogenous,in-man CS(=O)(=O)c1ccc([C@@H](C(=O)Nc2ncc(F)s2)C2CC2)cc1 45354230 WPEBAYDIUGUINW-ZDUSSCGKSA-N 354.428 2.818 0 1 FFAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@@H]2C1)c1ccccc1 257520737 QFVFKNNOHLGRBN-RMMWZPCPSA-N 368.477 2.707 0 1 FFAF CC[C@H](C)[C@H](N)C(=O)N1CC(=O)c2sc(NCc3ccccc3)nc2C1 299849396 GLIRRGUJVQJXKH-LRDDRELGSA-N 372.494 2.654 0 1 FFAF CC(=O)N[C@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512662 OBFOPDFOVGZATO-YADHBBJMSA-N 365.429 2.881 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239984 PNJMRIGNAYXOKK-BLWXERESSA-N 373.457 2.908 0 1 FFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(O)n1 587657399 VQERMEMQQHVLHC-UHFFFAOYSA-N 352.300 2.827 0 1 FFAF COC(=O)c1ccsc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238681 VYDCKEUBNDDWGS-HZPDHXFCSA-N 368.414 2.771 0 1 FFAF COc1ccc([C@@]2(c3ccccn3)NCCc3nc4ccccn4c32)cn1 962980169 BWNPOMYYLKRMBD-NRFANRHFSA-N 357.417 2.571 0 1 FFAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@H](C(C)(C)O)[C@H]2[C@@H]1O 1772587216 BBGZNGZEWBUPKR-KUMCFWLYSA-N 364.438 2.713 0 1 FFAF N=C(N)c1ccc(CNC(=O)C2=C(C(=O)NC3CCCCC3)CCC2)cc1 13493941 MNIWDISRJPPDGU-UHFFFAOYSA-N 368.481 2.516 0 1 FFAF c1nc2c(NC3CCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 13648437 ATQMYSVYZWCLGV-UHFFFAOYSA-N 365.441 2.898 0 1 FFAF CC[C@H](CCCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)O 13764933 BTXYOVLOHTWHJF-GFCCVEGCSA-N 358.442 2.853 0 1 FFAF O=C1OCCN1c1cc2c(-c3cccc(N4CCCCC4)n3)n[nH]c2cn1 205263023 IYWFOOCVEDOSQM-UHFFFAOYSA-N 364.409 2.967 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1C[N@]1Cc1cnc2ccccc2c1 1857742847 KVFXBBSEFMIRDB-XMHCIUCPSA-N 361.232 2.983 0 1 FFAF CC1(C)[C@H]2CC[C@](C)(O)[C@@H](CCC3=CC(=O)O[C@H]3O)[C@@]2(C)CC[C@H]1O 2356411187 YGMAOOZMYPQPHU-JVHVXJQMSA-N 352.471 2.533 0 1 FFAF COc1ccc(-n2cnc3c(sc4ncc5c(c43)NCCO5)c2=O)cc1 28827158 KUCDOJMOTMEEOF-UHFFFAOYSA-N 366.402 2.808 0 1 FFAF in-vitro CCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCO)C1=O 26166941 MCICZGZLJDIJMM-SFHVURJKSA-N 358.825 2.879 0 1 FFAF CCC=CC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@H](O)CCCC(=O)O 2356732061 VLLDKSJDBRLUOY-FHWLQOOXSA-N 350.455 2.905 0 1 FFAF Cn1ncc2c1C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 34891515 ZNIINFIWHBSEGX-DOMZBBRYSA-N 351.859 2.914 0 1 FFAF Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 35876845 SFUKQIBDQAEIQC-UHFFFAOYSA-N 364.810 2.862 0 1 FFAF COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(CC(C)C)CC(C)C)O2)no1 77262395 LZHPXPJZEZEAIH-YSIASYRMSA-N 368.518 2.886 0 1 FFAF CO[C@@H]1O[C@@H]2c3cc4c(cc3CCN[C@H]2c2ccc3c(c21)OCO3)OCO4 14686693 XXNNKVDBGXCFHP-NLWGTHIKSA-N 369.373 2.747 0 1 FFAF biogenic CC(C)(O)CCc1c(O)cc2occ(-c3ccc(O)cc3O)c(=O)c2c1O 136204234 VSXWLNJMVXBUCO-UHFFFAOYSA-N 372.373 2.986 0 1 FFAF C[C@H](c1nc2ccccc2[nH]1)N(C(=O)C1=NNC(=O)CC1)c1ccccc1 199395965 WCBLAUFSPXLFFH-CYBMUJFWSA-N 361.405 2.923 0 3 FFAF c1ccc(Cn2cc(-c3ccc4[nH]nc(N5CCOCC5)c4c3)nn2)cc1 148732236 UYDSPNGPTPODBJ-UHFFFAOYSA-N 360.421 2.706 0 1 FFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95794705 HMQRAVVURDTGQR-NHCUHLMSSA-N 362.473 2.752 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)[C@H]4CCOC4)ncc23)ccn1 261154877 PSILBFLVNYZSEA-JSGCOSHPSA-N 366.425 2.875 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 586962727 GWPXWSLVHAGCOB-ZCFIWIBFSA-N 366.497 2.978 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(I)=C/N(C)C)O2 587387452 ROWAFFSABGYYSZ-SZNGSJQDSA-N 372.206 2.749 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587142237 OXDZOHSMIMOZGO-UHFFFAOYSA-N 361.185 2.718 0 1 FFAF O=S(=O)(Cc1nc2cccnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951236 ROXLBGQVNOFVKQ-UHFFFAOYSA-N 371.466 2.890 0 1 FFAF C[C@H](CCC(=O)O)Cc1nc2cc(I)cnc2[nH]1 587963134 OGMAATAONPUFAH-SSDOTTSWSA-N 359.167 2.606 0 1 FFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ccccc3[nH]2)cc1 586947098 SGSFEZOPJIBSEH-CQSZACIVSA-N 357.435 2.687 0 1 FFAF COc1cccc(CNC(=O)CC[C@H]2CCCN(C3CCOCC3)C2)c1 13596387 DWQCDVIUNKLYSR-QGZVFWFLSA-N 360.498 2.983 0 3 FFAF COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 169293554 OABCLKMPOUYXKO-YWMUFLPLSA-N 367.401 2.915 0 3 FFAF CC(C)CCNC(=O)Cn1ccc2ccc(Br)cc2c1=O 169353040 YQYSOQQQHUHRHC-UHFFFAOYSA-N 351.244 2.926 0 1 FFAF COCCNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12 4239355 VKBIJCSJYZKBIH-UHFFFAOYSA-N 372.450 2.727 0 1 FFAF Cc1cncn1[C@@H](C)C(=O)NCc1cccnc1[C@H]1CCCN(C)CC1 1857535297 LCFCRUDLPGTLCB-IRXDYDNUSA-N 355.486 2.663 0 1 FFAF CC1(C)CN=C2N(C1)c1ccccc1[C@]2(NS(C)(=O)=O)c1ccccc1 6013443 YWPIVSVANRZGCO-HXUWFJFHSA-N 369.490 2.738 0 1 FFAF O=C(NCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1F 6580002 JNLMAPAKDMAOPB-UHFFFAOYSA-N 358.394 2.794 0 1 FFAF CC(=O)NCn1cc(-c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2)c(=O)o1 28524501 QKJSGXSGUAXFGE-UHFFFAOYSA-N 370.336 2.706 0 1 FFAF C[C@H](NC(=O)COc1ccccc1)[C@@H](c1ccccc1)N1CCN(C)CC1 22037022 GSXGNYVFFZYRNV-AVRDEDQJSA-N 367.493 2.559 0 3 FFAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccccn2)O3)S1 26968659 AMTQQJLWTMFLBO-DOTOQJQBSA-N 354.431 2.912 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@@H]2C[C@@H]2COC(=O)[C@]21O 2356646915 TVGJRQSGUWVHFC-YMMZUYBSSA-N 358.390 2.534 0 1 FFAF COc1ccc(-c2nc(-c3cc4c(c(OC)c3OC)OCO4)no2)cc1O 66251265 JZSOPAJXBFHRKZ-UHFFFAOYSA-N 372.333 2.864 0 1 FFAF COC(=O)Cc1cc(O)cc2oc(-c3ccc(O)c(OC)c3)cc(=O)c12 84733643 VMFIJWFMUGOUHO-UHFFFAOYSA-N 356.330 2.595 0 1 FFAF O=S1(=O)N[C@H](c2ccccc2)COc2cc(Br)ccc21 96021290 OQQGXLDZOXINEZ-LBPRGKRZSA-N 354.225 2.861 0 3 FFAF c1ncc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 96176072 LOTAJSZTLYPVDV-UHFFFAOYSA-N 373.416 2.842 0 1 FFAF CC(C)C[C@H]1COCn2nncc2CC[C@H](Cc2ccccc2)C(=O)N1 95898365 DBONWOYYEUOBEW-MSOLQXFVSA-N 356.470 2.588 0 1 FFAF COc1ccc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)cn1 95573484 ONZDDVOSVHSCHJ-UHFFFAOYSA-N 355.419 2.805 0 1 FFAF C=C1Oc2c(CO)c(O)c(C(=O)O)c(C)c2Oc2c(C=O)c(O)cc(C)c21 71404444 AHNZTACQHQRRGA-UHFFFAOYSA-N 372.329 2.873 0 1 FFAF biogenic COc1cc(C[C@@H]2C[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 85642897 OMBIBIJONAKBNB-STXHMFSFSA-N 360.406 2.796 0 1 FFAF biogenic CC(C)c1ccc(-n2ncc(C(=O)N(C)C3CCN(C)CC3)c2N)cc1 299850637 CLUHMZSIJFPITL-UHFFFAOYSA-N 355.486 2.744 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 587230139 FMIQADNSZCFQJH-QWHCGFSZSA-N 361.442 2.617 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587038640 BBFDQGUXPFTELU-SJORKVTESA-N 373.503 2.913 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757581 OVZWQXGYZZEPRN-NXSYQRQQSA-N 353.239 2.836 0 1 FFAF Cc1nn(CCO)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579569 DRQZMZPWUOJUTH-YLJYHZDGSA-N 366.373 2.592 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3cc(OC)n(-c4ccccc4F)n3)nc12 587156712 QPGGRVKRMVUWOU-UHFFFAOYSA-N 367.340 2.745 0 1 FFAF Cc1ccc2c3c(c4c(nc13)[C@H]1[C@@H]4CN[C@H]1C(=O)O)-c1ccccc1C2=O 587097819 SWBIOXBPKYCERO-YXKFXFPPSA-N 356.381 2.992 0 1 FFAF COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1CNC(=O)OC(C)(C)C 587637405 CKOMMDWMCGLINE-UHFFFAOYSA-N 362.382 2.606 0 1 FFAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438610 PDPVHSBOSXHQAR-SPLOXXLWSA-N 363.369 2.992 0 1 FFAF COc1cccc(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587931824 PVBZPSTWFNRAIN-UHFFFAOYSA-N 359.451 2.607 0 1 FFAF COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651310 QILVDYWQEQIMSP-INIZCTEOSA-N 373.390 2.614 0 1 FFAF c1ccn2c3c(nc2c1)CCN[C@@H]3c1cc(-c2ccc3c(c2)OCO3)no1 962982712 JMFISWCBULMDHF-LJQANCHMSA-N 360.373 2.953 0 1 FFAF CC(=O)Oc1ccccc1[C@]1(c2ccco2)c2c(cnn2C)CCN1C 963956843 ZVMZWDCICZSSEH-FQEVSTJZSA-N 351.406 2.718 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1ccc(-c3ncccn3)cc1)N[C@H](C(=O)O)C2 963524238 KKCBVMLSOLWSQH-LPHOPBHVSA-N 361.401 2.846 0 1 FFAF Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(C)c3)no2)cc1C 12112321 KUXASZXASMZZQX-UHFFFAOYSA-N 354.410 2.876 0 3 FFAF CN(C)CCCOc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1 13858436 MTJCJUPJHXRBGL-UHFFFAOYSA-N 364.449 2.777 0 1 FFAF in-vitro COc1ccc(CN=c2[nH]nc(N3CCC(O)CC3)c3ccccc23)cc1 1857585009 PFYGFJRIPJZNRF-UHFFFAOYSA-N 364.449 2.634 0 1 FFAF O=C(c1ccccn1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857612402 CWBLKBNCFMSXMO-LJQANCHMSA-N 362.433 2.893 0 1 FFAF COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nn[nH]n2)cc1 1857643567 LSDKEGHHJAOTNT-UHFFFAOYSA-N 374.198 2.890 0 1 FFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)C2CC2)C=C1C 2356314408 HZBZCQAOUAEFST-RCCFBDPRSA-N 350.503 2.520 0 1 FFAF CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OC(C)C)C1 3964032 BHXXLYGDDNQAOC-UHFFFAOYSA-N 352.456 2.812 0 1 FFAF COc1cc2c3c(c1OC)-c1cc(NC(N)=O)ccc1C[C@H]3N(C)CC2 1911575758 XFXOSXWPTSUGSF-OAHLLOKOSA-N 353.422 2.947 0 1 FFAF O=C1[C@@H]2C[C@H]2C(=O)N1c1cc(Cc2nnc(O)c3ccccc23)ccc1F 101037636 CKUVJWILNPUODE-ZIAGYGMSSA-N 363.348 2.575 0 1 FFAF CC[C@@H](CC(=O)NCC[C@H]1CCNC1)n1c(N)nc2cc(Cl)ccc21 62224949 SHGRFCHQDXOVIT-OCCSQVGLSA-N 363.893 2.729 0 1 FFAF Cc1ccnc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 27315668 KSUYYLXTGGKINZ-MRXNPFEDSA-N 371.462 2.799 0 1 FFAF CCNC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103796 ZYRODNPCJHYLIK-QGZVFWFLSA-N 359.861 2.567 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)C(C)C)cs2)c1 82082090 XJJLDKJEHKHVGL-CQSZACIVSA-N 350.440 2.574 0 1 FFAF COc1cc([C@H]2Oc3cc4c(cc3O[C@H]2CO)CC=CO4)cc(OC)c1O 238748457 MHEZAZVUYYHZAE-AZUAARDMSA-N 372.373 2.731 0 1 FFAF COc1cc2c3c(c1)O[C@H](C1[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]14)[C@@H](C2)C3=O 587444363 OJTBRPXTUAAIHH-HLBODDRNSA-N 371.433 2.924 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1n[nH]c(=N)s1)(C1CC1)O2 587413874 QQPGTDZLQOGZAB-INIZCTEOSA-N 362.480 2.748 0 1 FFAF CNC(=O)[C@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 587233774 AMJRNFJCDIRIHB-WDSKDSINSA-N 373.048 2.937 0 1 FFAF COC(=O)CCn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587390315 MDMOPFDDJKVNQX-INIZCTEOSA-N 357.410 2.660 0 1 FFAF CON(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336135 LSAXAGMHXLTMQS-QFBILLFUSA-N 359.353 2.669 0 1 FFAF CC(C)COc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br 587247624 VGJUOSDUOHGSKB-HNNXBMFYSA-N 354.248 2.935 0 1 FFAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416994 HRTFXPBTDWQNPV-BMIGLBTASA-N 359.205 2.938 0 1 FFAF C[C@@H](C(=O)O)n1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587558887 VBIVKNJGRMYHEJ-VIFPVBQESA-N 350.334 2.703 0 1 FFAF COC(=O)c1ccnc2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c12 586902946 CWXXSZRBKZHYNX-UHFFFAOYSA-N 351.318 2.979 0 1 FFAF COC1(OC)CCOC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587834925 NKGKYXUWEGMZGQ-MEBBXXQBSA-N 374.250 2.727 0 1 FFAF O=C1c2ccccc2C(=O)N1CCN1CCCN(Cc2ccccc2F)C1 1772649802 DNMJNYCYVKNQDE-UHFFFAOYSA-N 367.424 2.587 0 1 FFAF COc1cc(C)nc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 13746159 KSPZWFCHYDBBQS-SANMLTNESA-N 370.478 2.958 0 1 FFAF c1ccc2c(c1)CC[C@H](Cn1cnc(-c3cc(-c4nn[nH]n4)ccn3)c1)C2 225941296 BPQJRTYHBQULJV-AWEZNQCLSA-N 357.421 2.930 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@@H]2NCc2cnc3ccccc3c2)cc1 2356287372 HVLAZSKFCJBSJA-UVUJQTEASA-N 364.445 2.611 0 1 FFAF CN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1 101270899 GGOFKOFOQJFNFE-FVQHAEBGSA-N 358.873 2.524 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](CC3CCCCC3)C2=O)cn1 115731572 HPNLTALDYBYGNU-KRWDZBQOSA-N 371.441 2.931 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2C(F)(F)F)C1 61903747 SLZSJZFPYYUMAJ-KRWDZBQOSA-N 372.387 2.710 0 3 FFAF CC=C[C@@]12CCN3[C@@H](C1)c1[nH]c4ccccc4c1C[C@H]3[C@]2(CO)C(=O)OC 2356626261 QKDZPXLVEASJMP-MOXQZVSFSA-N 366.461 2.957 0 1 FFAF CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 61908598 TXXLIORUTNOJFP-IBGZPJMESA-N 364.442 2.832 0 3 FFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc2cccnc12 2356842989 NANWRBHKEGDIPR-XIRDDKMYSA-N 359.495 2.634 0 1 FFAF CC(C)CN1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 2356849359 PVMZXVJPXTXTJH-PMACEKPBSA-N 360.498 2.687 0 1 FFAF O=C(Nc1ccccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34837776 UYWCZYFLJYOJPZ-UHFFFAOYSA-N 366.450 2.954 0 1 FFAF COc1ccc([C@@H]2OC[C@@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 14642212 BQRGYTVSAXRQKZ-XFQAVAEZSA-N 372.417 2.971 0 1 FFAF biogenic Nc1cnc(-c2ccc(-c3cccnc3OC[C@H]3CCNC3)cc2F)cn1 224717021 KPXOTESFALYWBM-ZDUSSCGKSA-N 365.412 2.915 0 1 FFAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)[C@@H](C)N2CCOCC2)cc1 82153051 OEJBVIZWLDOGAU-QZTJIDSGSA-N 360.498 2.843 0 1 FFAF CC(C)c1cc2c(-c3ccc(S(=O)(=O)NCCO)cc3)ccnc2[nH]1 95552509 HWADPPKZZYESMF-UHFFFAOYSA-N 359.451 2.624 0 1 FFAF COC(=O)c1ccc(NCc2nc(N)c3cc(OC)c(OC)cc3n2)cc1 96907513 WUPQGXNECGOOHF-UHFFFAOYSA-N 368.393 2.628 0 1 FFAF COc1ccc(C[C@@H]2CO[C@@H](O)[C@H]2Cc2ccc3c(c2)OCO3)cc1OC 257564489 VHLUROMCVXTWNM-VWKPWSFCSA-N 372.417 2.799 0 1 FFAF endogenous,in-man Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4nnco4)ncc23)ccn1 261131714 LHZISXSYRSSCDE-SNVBAGLBSA-N 364.369 2.594 0 1 FFAF COC(=O)c1cc(OC)c(C)c2c1Oc1c(C=O)c(O)cc(C)c1C(=O)O2 34374857 SPPTYKIGBRRHMM-UHFFFAOYSA-N 372.329 2.942 0 1 FFAF biogenic N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2CCCc2ccccc2)cc1 299853675 OHCKIXZJNDFVRE-FQEVSTJZSA-N 364.493 2.684 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586915336 CYQFIDMHAYAUCD-BTDLBPIBSA-N 357.801 2.587 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)CC2=O 587489413 NLUJZMRUEBBWRD-KEVGGSHVSA-N 362.378 2.634 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc12 586882609 ZXMLMOULPMERCH-UHFFFAOYSA-N 351.362 2.673 0 1 FFAF Cc1cc(C)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c1 587227587 PHCVHWFFEWBEAP-UHFFFAOYSA-N 366.421 2.722 0 1 FFAF CN1CC[C@]2(c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@H](CCO)C1 962717683 QONXBZVNYJKODX-RZQQEMMASA-N 364.530 2.719 0 1 FFAF Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCCC2=O)c1 11874958 AJGYGMMEYDRXPD-GOSISDBHSA-N 366.465 2.605 0 3 FFAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@@H]32)n1 169701352 GATCPBZBYFRAAH-DOMZBBRYSA-N 373.254 2.508 0 1 FFAF COc1cc(OC)cc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726078 FZVGEJMLVMKKAZ-HZPDHXFCSA-N 352.415 2.935 0 1 FFAF CC(C)Oc1c(C2(c3ccccc3O)SCCCS2)c(=O)c1=O 1860380 ULSMOUWZUAOCDB-UHFFFAOYSA-N 350.461 2.847 0 1 FFAF CC=C[C@H](O)[C@H](O)[C@]12C=C[C@@H](C)[C@H]1c1c(c3c(C)cc(O)cc3oc1=O)O2 2356326133 UOSOGOPJUWRLRY-DLAUUZJTSA-N 370.401 2.526 0 1 FFAF Cc1ccc2c(c1)-c1onc(C(=O)N3CCC4(CC3)OCCO4)c1CO2 6893166 UHGCGGIIAYGKQT-UHFFFAOYSA-N 356.378 2.522 0 1 FFAF Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)c1 6893706 NHCJFOUAXKDSOS-UHFFFAOYSA-N 361.467 2.774 0 3 FFAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2CC[C@H]1CCCNC1 8581947 TXZDVQGUIJKUMP-LLVKDONJSA-N 372.860 2.824 0 1 FFAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 58581944 VFSCBASJPGZOGO-ZBFHGGJFSA-N 356.447 2.996 0 1 FFAF COc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 100720360 HHLFEKGPFKSEJX-VLCRHTCISA-N 371.477 2.817 0 1 FFAF Nc1c(Cl)cc2c3c(cccc13)C(=O)N([C@H]1CN3CCC1CC3)C2=O 28769902 BEQOAESAWXOIEI-HNNXBMFYSA-N 355.825 2.766 0 1 FFAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 61903020 ALNCIWHYFLXTJM-INIZCTEOSA-N 357.376 2.787 0 3 FFAF COc1cc2c(cc1OC)[C@H]([C@@H](O)C=Cc1ccc(O)cc1)[C@@H](O)CC2 2356432713 KAYRJPGARKNUEX-BBTUJRGHSA-N 356.418 2.874 0 1 FFAF CC=C(C)C(=O)O[C@H](C)[C@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 2356614384 RRPAUYJABCIHOM-BZNIZROVSA-N 350.367 2.926 0 1 FFAF COCC(=O)N[C@@H]1c2cc(OC)c(OC)cc2C[C@H]1OCc1ccccc1 61959106 HJKANLPCNYBWIJ-TZIWHRDSSA-N 371.433 2.649 0 3 FFAF CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 38422778 ITWHOUBMQIJNKR-CQSZACIVSA-N 355.446 2.597 0 1 FFAF COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 40880889 CEKVKDRXUDAAKU-UHFFFAOYSA-N 374.404 2.941 0 1 FFAF COc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(C(=O)O)c3)C2=O)cc1 84619761 QVSVKULMFAUKIL-DHDCSXOGSA-N 355.302 2.623 0 1 FFAF CC1=CCC[C@H]2[C@@](C(=O)O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO 95914508 OGPOPMOZVDUDLJ-SOPAFXHJSA-N 352.471 2.514 0 1 FFAF biogenic,in-vitro CC(=O)Oc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OCc2ccccc2)cc1 34587214 AXEJTMNZYNXBEZ-SFHVURJKSA-N 371.389 2.876 0 1 FFAF biogenic N=c1ncc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c[nH]1 587254130 GRQQCTMFNDRIIF-UHFFFAOYSA-N 357.299 2.860 0 1 FFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 587932605 QSDFCCWTUYOLQP-KZULUSFZSA-N 357.435 2.664 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587432714 LDLCHXSOTZXFTG-PDSXEYIOSA-N 367.401 2.759 0 1 FFAF Ic1cnc2ccc(-c3nc4cccnc4[nH]3)cn12 587187398 GKUOUVZQSJIAKC-UHFFFAOYSA-N 361.146 2.877 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C2 587246936 KIRWPSICVPNDAS-NRFANRHFSA-N 364.449 2.616 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3ccc(C(=N)N)cc3[nH]2)C(F)(F)F)n1 587094234 NNCFFPDBKRZVBO-AWEZNQCLSA-N 369.372 2.604 0 1 FFAF O=C(Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1)c1cccc(O)c1 587019091 GLXMHMOGXBJEFT-UHFFFAOYSA-N 367.390 2.669 0 1 FFAF O=C(NCc1nc2nc(Cl)c[nH]c-2n1)c1cccc(C(F)(F)F)c1 587112200 QODMWMYXLJZIKB-UHFFFAOYSA-N 355.707 2.907 0 1 FFAF CC(C)NCc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1 13471128 FFKLNVQCVAPTNG-HNNXBMFYSA-N 368.441 2.842 0 1 FFAF CN1CCc2c3c(n(-c4ccc(C(N)=O)cc4)c2C1)CC(C)(C)CC3=O 169307782 SMJJAAHWGIEVIU-UHFFFAOYSA-N 351.450 2.719 0 1 FFAF in-vitro CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166511682 FBLLIYAHBGDBDL-IBGZPJMESA-N 367.449 2.981 0 1 FFAF CN(C)CCC(C)(C)N=c1[nH]c(-c2ccnc(F)c2)nc2cnccc12 1857561683 FRLQLTXVVWDXLN-UHFFFAOYSA-N 354.433 2.790 0 1 FFAF O=C(O)c1c[nH]c2cc(Cl)c(-c3cnc(N4CCOCC4)nc3)cc12 216017496 FHQTVHNDGHKCAS-UHFFFAOYSA-N 358.785 2.813 0 1 FFAF COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@@H](C)C2)c1 22609866 CHYVAKAFGGCNES-SLEUVZQESA-N 374.466 2.704 0 3 FFAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)s3)c2n1 28571149 GKIAVCCCHDDPII-UHFFFAOYSA-N 352.851 2.677 0 1 FFAF NC(=O)c1cc(NCc2ncc[nH]2)cc2c(NCc3ccccc3)ncnc12 114347324 NJBDAZRNQDOCFV-UHFFFAOYSA-N 373.420 2.676 0 1 FFAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@H]3C[C@H]21 2356821759 GELZMWSFAYTMRI-VMGFOFSFSA-N 368.477 2.956 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H]4CCCO4)ncc23)ccn1 219761356 KDVFZTGVARLRDD-ZDUSSCGKSA-N 352.398 2.629 0 1 FFAF COc1c(-c2ccc3c(c2)OCO3)oc2c(OC)c(O)cc(OC)c2c1=O 14437092 JTMCNUIYBADOHX-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF biogenic O=C(O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71281145 RWHIOKKBFATIMJ-UHFFFAOYSA-N 360.801 2.787 0 1 FFAF O=C([C@@H]1CCc2ccc(OCc3ccc(F)c(F)c3)c(=O)n21)N1CCCC1 40916541 LDMKUUHINUPMHX-KRWDZBQOSA-N 374.387 2.815 0 1 FFAF Fc1ccc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 40980425 MHIYUMQBJVJOJA-UHFFFAOYSA-N 366.396 2.820 0 1 FFAF COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1 84687561 CKLJHQGTKDVDQX-UHFFFAOYSA-N 351.410 2.868 0 1 FFAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CC1CCNCC1 98082197 AZNTUSCWIJJAIH-UJKMTWAASA-N 372.468 2.878 0 1 FFAF Cc1cccc(N2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)n1 96082361 DFRMIXSMBAEJGK-SJLPKXTDSA-N 358.511 2.882 0 1 FFAF Cc1ccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc2c1 653735500 WXXZAYODDPCYBC-UHFFFAOYSA-N 355.825 2.717 0 1 FFAF COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 587038440 SYTDVETWTCZPNS-VIFPVBQESA-N 370.438 2.714 0 1 FFAF Cc1nn(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c(C)c1Cl 587065506 RAQIZPFFNSTBBI-UHFFFAOYSA-N 355.789 2.594 0 1 FFAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587402523 YSLJPUFFBULKBW-INIZCTEOSA-N 357.362 2.756 0 1 FFAF CN(Cc1nc2cc(F)cc(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170236 PMXZKMLEKDBVMJ-UHFFFAOYSA-N 355.341 2.801 0 1 FFAF C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652062 KMDNFZYJDBXNOW-SECBINFHSA-N 351.790 2.603 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2CC/C=C/[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 43064518 WYGJZHIDGQTINZ-HMICAAPJSA-N 368.813 2.707 0 1 FFAF Cc1nc(N)sc1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759117 AUPHSVNUPMMLMZ-XHDPSFHLSA-N 355.385 2.943 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1cc(C(F)(F)F)ccn1)N[C@H](C(=O)O)C2 963523282 GVZOKIYEMQIUHK-WFASDCNBSA-N 352.312 2.803 0 1 FFAF COCCCNCC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1 4925395 WADFHZAGYPDAMN-HXUWFJFHSA-N 374.506 2.857 0 1 FFAF NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 13445819 KNJYWLTULWCZIK-UHFFFAOYSA-N 366.417 2.961 0 1 FFAF COCCNc1c(-c2cnc(C)[nH]2)nc2ccc(Br)cn12 1857569079 JBVWLSBTHDMYOI-UHFFFAOYSA-N 350.220 2.854 0 1 FFAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccc(Cl)cc2)C1 1857590614 KMKPTVNXDGTHIQ-GOSISDBHSA-N 360.885 2.857 0 1 FFAF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccc(Cl)cc2)C1 1857590615 KMKPTVNXDGTHIQ-SFHVURJKSA-N 360.885 2.857 0 1 FFAF Cc1c(C(=O)Nc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1662903 NAJJQLMMSVMOCJ-UHFFFAOYSA-N 364.188 2.974 0 1 FFAF COc1ccc(-c2c(C)nc3c(N4CC[C@@H](O)C4)cc(C)nn23)cc1OC 1911585468 POBVQUJQKOHSPO-OAHLLOKOSA-N 368.437 2.601 0 1 FFAF CC(C)CN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO 22932858 KAHZZVOWLVJRNO-IBGZPJMESA-N 360.477 2.536 0 3 FFAF Cc1nc2ccccn2c1-c1ccn(S(=O)(=O)c2ccc(F)cc2)n1 28639829 UNMDVPJYMAQFNR-UHFFFAOYSA-N 356.382 2.882 0 1 FFAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@@H](O)CCCC(=O)O 2356676835 ZZMKOZNTEJVKRY-FHWLQOOXSA-N 350.455 2.905 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3ccncc3)ccnc2O1 61902411 SMDGQFLJQRHQNY-SFHVURJKSA-N 361.357 2.815 0 3 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 195429127 AALLCALQGXXWNA-MOQGAEFSSA-N 358.390 2.533 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2[C@H]3CCC[C@H]32)cc1F 261074078 AQJSHKIGHCOKKO-JYAVWHMHSA-N 367.442 2.817 0 1 FFAF CC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 86039189 GQTPVPFEACGBJK-HKBOAZHASA-N 350.418 2.748 0 1 FFAF biogenic NC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119861 JMMZTBMPBBLSJW-UHFFFAOYSA-N 363.343 2.804 0 1 FFAF COc1ccc(OC)c(-c2nc3nc(Br)c[nH]c-3n2)c1OC 587795370 OEWXIWKVFCEGGW-UHFFFAOYSA-N 365.187 2.760 0 1 FFAF COc1ccc(C[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 587927797 XUEZFEDJELRZGO-GFCCVEGCSA-N 364.409 2.902 0 1 FFAF C[C@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589269 WVXOFBSSGDYPAL-QFBILLFUSA-N 353.330 2.750 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C2 587246938 KIRWPSICVPNDAS-OAQYLSRUSA-N 364.449 2.616 0 1 FFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587930645 FKTRQZHZRPENDQ-ACJLOTCBSA-N 357.435 2.664 0 1 FFAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 631161 VFGZNHKDNVFSCL-IYWFSZBXSA-N 359.378 2.894 0 1 FFAF CS(=O)(=O)N1CCC[C@@H]1[C@H](O)Cn1c2ccccc2c2ccccc21 223897826 FWZDIPOPXIIHLD-RTBURBONSA-N 358.463 2.579 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1CCO3 113152837 SSKMJLXZQREERE-SNVBAGLBSA-N 358.369 2.925 0 1 FFAF COc1ccc(C[C@@H]2CO[C@@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642294 VHLUROMCVXTWNM-WHSLLNHNSA-N 372.417 2.799 0 1 FFAF endogenous,in-man COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 14723715 KAYRJPGARKNUEX-QLLVLMQTSA-N 356.418 2.874 0 1 FFAF endogenous,in-man NC1=N[C@@H](CCc2ccc(Nc3nccc(C(F)(F)F)n3)cc2)CO1 169701178 IYHYEEQKPQUIRI-LBPRGKRZSA-N 351.332 2.885 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@]2(C)CO)ccc1O 2356375355 ABQRSIJJVGOZCP-LEWJYISDSA-N 374.433 2.718 0 1 FFAF O=C(CN1CCCCCC1)N1CCCc2c1c(=O)oc1ccc(O)cc21 2497632 SXSYDFWAKFLAKL-UHFFFAOYSA-N 356.422 2.654 0 1 FFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@@H]1C)N(C(C)=O)C(NC(C)=O)=N2 2356566700 QDAPAVNNGPQYEF-GWZNKTSJSA-N 373.497 2.891 0 1 FFAF CCOP(=O)(OCC)Oc1ccc2nc(S(N)(=O)=O)sc2c1 26496845 SGVXAJHILQGFLR-UHFFFAOYSA-N 366.357 2.504 0 1 FFAF O=P(O)(O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1 26002384 MYIXHRPRUNLBLC-INIZCTEOSA-N 358.338 2.761 0 1 FFAF CC(=O)NCCNc1nc2cc(-c3cscc3C)sc2c(=O)n1C 61930080 HTHIGJCDDVCOJG-UHFFFAOYSA-N 362.480 2.580 0 3 FFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@H]2[C@H]1C 2356641418 OSNBPYDQOYZESG-GQRJRYKSSA-N 366.546 2.865 0 1 FFAF CC[C@@H]1C2=C(C[C@@H]3[C@H](O)C[C@H](C)C(=O)N3CCCC2)[C@@H]2[C@H](C)C(=O)O[C@@H]21 2356812251 BIVOPELHCOXFQY-WRSRVKQASA-N 361.482 2.672 0 1 FFAF CCOC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1 40833991 MISFFPFSCULYSO-UHFFFAOYSA-N 369.421 2.923 0 1 FFAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccncc2)C(=O)O1 40407056 WYHSZXXDFKLCGM-KDMTZKAISA-N 361.438 2.903 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@H](CO)COCc3ccccc3)co2)cc1 82074229 JQUFITGIUCHHMP-GOSISDBHSA-N 366.417 2.958 0 1 FFAF C[C@H](N)C(=O)Nc1nc2c(s1)CCCC[C@@H]2C(=O)NCc1ccccc1 45245887 VQEHUSZRPBZZLV-JSGCOSHPSA-N 372.494 2.555 0 1 FFAF COc1ccccc1N1CCN(Cc2cnc3cc(C)nc(C)n23)CC1 43022800 VGIPYYQGXWSQEJ-UHFFFAOYSA-N 351.454 2.677 0 1 FFAF CN(C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1)C1CCCCC1 82142435 ZMTWRSMOVWKRLZ-UHFFFAOYSA-N 370.453 2.978 0 1 FFAF O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@H](Nc1ncc(F)cn1)CC2 144200549 ABVWNFNHZIHFOG-GFCCVEGCSA-N 358.348 2.764 0 1 FFAF COc1ccc(-n2cnc3c(sc4ncnc(N(C)C)c43)c2=O)c(F)c1 95564327 XUSKBQJCEPMVBM-UHFFFAOYSA-N 371.397 2.604 0 1 FFAF in-vitro CO[C@@H]1O[C@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 85837381 XXNNKVDBGXCFHP-WSTZPKSXSA-N 369.373 2.747 0 1 FFAF biogenic CCOC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792160 ARKWQCBIZCMAQX-ABKXIKBNSA-N 372.234 2.860 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587829602 RIBLMGQTZHXXRB-URBUXJDJSA-N 366.230 2.914 0 1 FFAF C=CN1CC[C@@H]([C@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587450994 HOPAAVHJVHVZSP-LPMFXHHGSA-N 359.447 2.536 0 1 FFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 587932607 QSDFCCWTUYOLQP-SGTLLEGYSA-N 357.435 2.664 0 1 FFAF Nc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1N 587160300 ALXHKKQMWPGFLT-UHFFFAOYSA-N 357.780 2.827 0 1 FFAF Cn1nnc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C(F)F 587128867 SDNRVKKIPPBIKZ-UHFFFAOYSA-N 353.642 2.710 0 1 FFAF Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc21 146636850 BRCXHVAMPGLIAD-UHFFFAOYSA-N 373.478 2.852 0 1 FFAF C[C@@]1(c2cccc(O)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230998 RMJMGEPLSXBZQS-UZLBHIALSA-N 352.365 2.942 0 1 FFAF CCOC(=O)[C@H](C)[C@@]1(c2ccco2)NCCc2ccc(C(=O)N(C)C)cc21 962929694 VWMFQYYWYCYPOQ-LHSJRXKWSA-N 370.449 2.570 0 1 FFAF COc1ccc(OC)c(S(=O)(=O)Nc2cncc(-c3cccnc3)c2)c1 221575699 AOCNQRNPQJCMDX-UHFFFAOYSA-N 371.418 2.962 0 1 FFAF C[C@]1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1 13799862 LDDHERVSSWYDKG-FQEVSTJZSA-N 354.454 2.513 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N(C)[C@H]3CCc4ccccc43)c2C)n1 1857533879 JLMVCSCQOLCBQN-KRWDZBQOSA-N 363.421 2.744 0 1 FFAF C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 38318165 MTRMACOHLXKTOY-PWSUYJOCSA-N 355.364 2.584 0 1 FFAF CCOc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NCc2cccnc2)cc1 4789751 WAWUUUORWHLWHY-NRFANRHFSA-N 367.449 2.678 0 3 FFAF c1cc2c(cc1CNCCCCNCc1ccc3c(c1)OCO3)OCO2 28254737 JLHJDTDEHINVEB-UHFFFAOYSA-N 356.422 2.804 0 1 FFAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc(C(=O)OC)cc1 100028465 VFGZNHKDNVFSCL-VVZNPABPSA-N 359.378 2.894 0 1 FFAF Nc1c(Br)c([C@H]2CCCNC2)nc2c(-c3ccoc3)cnn12 60328035 UUXLORHYMYNKFC-VIFPVBQESA-N 362.231 2.801 0 1 FFAF COc1ccc(Cc2nc(C(=O)NCc3c(C)cc(N)nc3C)co2)cc1 114079461 DCMBPCSGDIXGHI-UHFFFAOYSA-N 366.421 2.798 0 1 FFAF c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(CO[C@H]2CCCCO2)nn1)C3 64528297 RWDMJAICFFWIPX-XOBRGWDASA-N 367.453 2.517 0 1 FFAF COc1cc2c(cc1O)CCN1[C@@H](O)c3c(ccc(OC)c3OC)C[C@H]21 2356723983 YNIYQDHOXRDOPB-VLIAUNLRSA-N 357.406 2.564 0 1 FFAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@@H](CN(C)C)C3)cc2)cc1 73167989 UDNSIXFJDBUEQZ-QGZVFWFLSA-N 374.462 2.817 0 1 FFAF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1C(=O)[C@H]2O 14816089 WDPAWIPMFRGQCE-GZRFBZBPSA-N 362.422 2.986 0 1 FFAF biogenic O=C1NCC(=O)N(Cc2ccc(Cl)cc2)[C@H]1Cc1c[nH]c2ccccc12 71294962 AEEAOFWHSOLBRE-SFHVURJKSA-N 367.836 2.891 0 1 FFAF CCc1ccc(C(=O)COc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 199364430 SJOXOZFIJKNJKJ-UHFFFAOYSA-N 370.430 2.952 0 1 FFAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82195555 BJRQNJYEBRQHDY-INIZCTEOSA-N 361.467 2.637 0 1 FFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1N 82207713 DLKXHOFIICXKTB-LLFXRFBESA-N 373.497 2.637 0 1 FFAF c1ccc2[nH]c(COc3ccc(OCCCc4nnn[nH]4)cc3)nc2c1 40504802 IRVXXLGWDHYMLN-UHFFFAOYSA-N 350.382 2.667 0 1 FFAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@@H]23)cc1 195391152 FDDPSZVKVPUOOD-CSODHUTKSA-N 359.385 2.868 0 1 FFAF Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 95575831 LVTOASRSQVQBSU-UHFFFAOYSA-N 354.757 2.872 0 1 FFAF COc1cc(C[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O 86043631 VVKJZDWKHOGKOG-ZOCZFRKYSA-N 374.433 2.957 0 1 FFAF biogenic COc1ccccc1[C@H](C)NS(=O)(=O)NC(=O)OCc1ccccc1 473131257 NHOVAZHAWHJCSY-ZDUSSCGKSA-N 364.423 2.517 0 1 FFAF Cc1cccc(N2CC[C@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)n1 299841752 DFRMIXSMBAEJGK-FUHWJXTLSA-N 358.511 2.882 0 1 FFAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)(C)C 587204777 LIXHWNBLSMTGRP-QMMMGPOBSA-N 368.869 2.852 0 1 FFAF CCOC(=O)Cc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128386 MKXPKCNQQOEGFW-UHFFFAOYSA-N 372.335 2.711 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCOCC2)N1 587769696 ZKZPZLDMJBBINY-BDJLRTHQSA-N 357.267 2.670 0 1 FFAF O=C(O)C/C=C1/Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 957725171 OMXOJBDTGWAWRB-IDUWFGFVSA-N 352.346 2.799 0 1 FFAF Cc1cc2c(cc1O)[C@](C1=COCCC1)(C(F)(F)F)N[C@H](C(=O)O)C2 963526989 PJEBAVITZMDXIL-XJKSGUPXSA-N 357.328 2.751 0 1 FFAF CC[C@H](COC)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167095860 HNUPZLDGHHUUIK-MRXNPFEDSA-N 368.437 2.784 0 1 FFAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205055120 TXPLNEQLEQXZOV-UHFFFAOYSA-N 371.418 2.956 0 1 FFAF N#CN1C[C@H]2CCN(c3nc4ccc(OC(F)(F)Cl)cc4[nH]3)[C@H]2C1 1857558416 ABMOVNGEOUKGNU-RNCFNFMXSA-N 353.760 2.722 0 1 FFAF O=S(=O)(N=c1cc[nH]c2ccc(Br)cc12)C(F)(F)F 1252282421 PUYTVVBHDZMWJU-UHFFFAOYSA-N 355.135 2.681 0 1 FFAF CC(C)C[C@H](C(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 1063352 NLCPOHSSOCXNRV-QKGUJMCYSA-N 352.434 2.847 0 1 FFAF CC1(C)[C@H]2CC[C@](C)(O)[C@H](CCC3=CC(=O)O[C@H]3O)[C@@]2(C)CC[C@H]1O 2356411189 YGMAOOZMYPQPHU-YIILVGGQSA-N 352.471 2.533 0 1 FFAF Oc1cccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CNC4CCC4)O3)no2)c1 2356354601 NHZYBQCZLBEHSO-NLWGTHIKSA-N 358.438 2.640 0 1 FFAF COc1cc(OC)cc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c1 6996809 KZTNAMOBVZMTIJ-GOSISDBHSA-N 356.403 2.589 0 1 FFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)C2CCCC2)C3)cc1 2356299070 VBFXTSRSSQUYTO-QGZVFWFLSA-N 355.438 2.764 0 1 FFAF CC(C)COc1ccccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 100793546 UTEHYSMMPLIZDF-HZPDHXFCSA-N 359.470 2.786 0 1 FFAF CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 61905497 BZNAJYTXTHWRBN-GOSISDBHSA-N 358.467 2.694 0 3 FFAF CC1=CCC[C@](C)(O)[C@H](O)C[C@H]2CC[C@@](C)(OC(=O)[C@@H]2C)[C@@H](O)CC1 2356615656 JYRNLNBXLZDLIM-WRPXMVFYSA-N 354.487 2.718 0 1 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356776697 JHBBZIAPXDEPET-ZKDNHFBNSA-N 350.499 2.537 0 1 FFAF COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1OC(C)=O 14645215 ILFLUWBVDTWXDJ-UHFFFAOYSA-N 358.302 2.511 0 1 FFAF biogenic O=C(Cn1ccnc1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 48187729 NILTYCVDKDYBRZ-UHFFFAOYSA-N 370.844 2.659 0 1 FFAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95874731 XYCHWFJUQDPBHN-BDTNDASRSA-N 365.477 2.520 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 257502229 OHMAVTDVTQMMMR-AOWAPKBMSA-N 350.411 2.714 0 1 FFAF endogenous,in-man C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCN(C)CC3)cc2)C1 261181599 WGDBSIUKEGGNAD-XLIONFOSSA-N 371.529 2.529 0 1 FFAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586937986 HWIMBCIKODYNQC-LLVKDONJSA-N 361.471 2.633 0 1 FFAF CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3c(C(=O)O)cccc23)c1C 587638899 XKNJXTPJBJIPOO-UHFFFAOYSA-N 369.377 2.717 0 1 FFAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435933 KMWYDABSNIEMMS-FYINFDKHSA-N 367.401 2.943 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2cc3c(cc2[nH]1)OCCCO3 587229019 YDCIFUDOTMWBIR-UHFFFAOYSA-N 351.406 2.626 0 1 FFAF Cn1ncnc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950959 FGPUDLVXQCYYAU-AWEZNQCLSA-N 352.360 2.575 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cccc2c1C(=O)NC2 963611946 RFPYJMICECOZLW-QKVFXAPYSA-N 352.434 2.745 0 1 FFAF COc1cccc(CNCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 1772570069 LXNQZVGZFJRXAP-UHFFFAOYSA-N 352.390 2.838 0 1 FFAF O=C(O[C@@H]1CCN2CCO[C@H]1C2)c1cn(CC(F)F)c2ccc(F)cc12 1772606308 WSLSMBVZGPOGHI-CVEARBPZSA-N 368.355 2.675 0 1 FFAF CC(C)(C)C(=O)OCn1cnc2c(OCc3ccccc3)nc(N)nc21 13600876 MRTSJAUEUHJSRN-UHFFFAOYSA-N 355.398 2.534 0 1 FFAF CO[C@H]1O[C@@H]2c3cc4c(cc3CCN[C@H]2c2ccc3c(c21)OCO3)OCO4 14686695 XXNNKVDBGXCFHP-NSHGMRRFSA-N 369.373 2.747 0 1 FFAF CCN(CC)CCNC(=O)c1csc([C@@H](O)c2cccc(Cl)c2)n1 206058687 OQIGOBDUIBFFHD-HNNXBMFYSA-N 367.902 2.950 0 3 FFAF O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 3956284 APWYTNYQRZXKSW-UHFFFAOYSA-N 350.466 2.995 0 1 FFAF NCCC[C@H](N)CNC(=O)CC(Cc1ccccc1)Cc1ccccc1 1857556671 BUVJDMUYVLUMNU-NRFANRHFSA-N 353.510 2.661 0 1 FFAF COc1ccccc1C1=C(Nc2ccc(Cl)c(C(=O)O)c2)C(=O)NC1=O 27711196 ZCDCDODUUZUISA-UHFFFAOYSA-N 372.764 2.526 0 1 FFAF Cc1noc(C)c1-c1ccc(C(=O)NCCN2CCOCC2)c2occc12 61905674 PCVVKIOFBQJYOY-UHFFFAOYSA-N 369.421 2.767 0 3 FFAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@@H](O)Cc1ccccc1 2356417546 DXWJXQSQVUJRNS-JKBKZWBZSA-N 372.461 2.914 0 1 FFAF COc1cc(-c2oc3c(O)c(OC)cc(O)c3c(=O)c2OC)ccc1O 14437059 MNPHMLPMBGJDJI-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CO[C@@H]1C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=CC(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C 14649669 HAXGBAPWAJKNSW-ODGOFALESA-N 360.450 2.720 0 1 FFAF biogenic CCn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2C)n(CC)c1=O 40423867 YVUPXNWHFJVQDX-UTLPMFLDSA-N 350.422 2.663 0 1 FFAF CNC(=O)[C@H]1CCc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473115308 RNAQONXYPNTQIF-QGZVFWFLSA-N 358.825 2.813 0 1 FFAF C[C@]1(C(=O)O)CSC(c2ccc(OCCCCCC(=O)O)cc2O)=N1 473083640 OWQWNOJSWWMKMA-QGZVFWFLSA-N 367.423 2.753 0 1 FFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ccccc3[nH]2)cc1 586947097 SGSFEZOPJIBSEH-AWEZNQCLSA-N 357.435 2.687 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(Cn1cnc4ccccc4c1=O)[C@@H](C2)C3=O 587442205 HWBCYDMKNUTHJC-BTYIYWSLSA-N 362.385 2.611 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)nccc3[nH]2)cc1 586940202 WYTAVDBNYCMZFI-NSHDSACASA-N 360.439 2.710 0 1 FFAF Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587745461 JSEKHWCNOOESPJ-NXSYQRQQSA-N 351.223 2.723 0 1 FFAF Cn1ccc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 963155870 ZIWWCSFYYVSRHT-QWHCGFSZSA-N 363.439 2.817 0 1 FFAF Cc1nc2cccc(F)c2c(N)c1CN[C@]1(C(F)(F)F)CCC(=O)O1 13864114 DRLCNGLKENUIFI-OAHLLOKOSA-N 357.307 2.950 0 1 FFAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1O)O2 205499231 SOMZQMLLSYFURA-VQTJNVASSA-N 372.373 2.695 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2CO)ccc1O 2356375485 FHYQIQMSODIFCP-KUHUBIRLSA-N 372.373 2.717 0 1 FFAF COCc1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)nc(=N)[nH]1 1911584332 HCKFFDOKSGBTNH-UHFFFAOYSA-N 360.377 2.817 0 1 FFAF O=C1[C@H]2C[C@@H](CN2C(=O)c2cccnc2)Oc2ccccc2N1CC1CC1 2356301805 FSSUIWHTKGDAPP-FUHWJXTLSA-N 363.417 2.500 0 1 FFAF O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@H](O)C1)c1cnn2cccnc12 113654304 WTUNZCQRKFMUHJ-STQMWFEESA-N 372.812 2.927 0 1 FFAF CS(=O)(=O)c1cccc(-c2csc3ncnc(NCCCN)c23)c1 114813754 PDIHSECSWBYLAL-UHFFFAOYSA-N 362.480 2.523 0 1 FFAF COc1cc(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)cc(OC)c1OC 61907332 QTWIMMPMWJAMQT-IBGZPJMESA-N 364.442 2.688 0 3 FFAF COc1cccc(C(=O)N2[C@@H](COCc3ccccc3)C=CS2(=O)=O)c1 72139903 KWJVECVPMXFXHJ-QGZVFWFLSA-N 373.430 2.580 0 1 FFAF COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 14760209 NWFYESYCEQICQP-JKSUJKDBSA-N 372.417 2.992 0 1 FFAF biogenic Brc1cncc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 210726765 WLBWMAISCIFWAN-UHFFFAOYSA-N 360.215 2.619 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(CCC(=O)O)cc3[C@H]2CO)ccc1O 15169075 TZAVPCIAHLZJPJ-AUUYWEPGSA-N 374.389 2.636 0 1 FFAF biogenic CC(=O)N1CC[C@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]21 25425523 CVRIVDAUUGHHAY-QZTJIDSGSA-N 365.389 2.525 0 1 FFAF biogenic C[C@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587963511 NSSXZRKCHMLJIK-DGCLKSJQSA-N 351.410 2.780 0 1 FFAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1)N1CCC1 586956156 WXRQOPDFUKOSGQ-UHFFFAOYSA-N 366.805 2.812 0 1 FFAF COC(=O)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587043436 ZMMZMRXBMOXFLE-HOTGVXAUSA-N 354.435 2.691 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175181 QORRPIFNMPTSNH-CQSZACIVSA-N 372.425 2.829 0 1 FFAF COC(=O)[C@@H](C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O 587394621 JDYANHGOOBUDOY-BEFAXECRSA-N 369.377 2.531 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(F)(F)F)N1 587708528 YRKHAZIGPJTQKA-BLTYZCFWSA-N 356.113 2.965 0 1 FFAF COC(=O)c1noc(C)c1[C@@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634639 LAGQJNXHCCBVTK-GIGQVBGESA-N 360.410 2.585 0 1 FFAF CN[C@@H]1c2cc3ccn(S(=O)(=O)c4ccccc4)c3cc2[C@H]1CCO 1772649604 GNYULWALHKFYNF-BEFAXECRSA-N 356.447 2.618 0 1 FFAF CN(C)[C@H]1c2cc3ccn(S(=O)(=O)c4ccccc4)c3cc2[C@H]1CCO 1772590101 OCKYRBSJWIYEBM-OXQOHEQNSA-N 370.474 2.961 0 1 FFAF COc1cc(OC)c([C@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772626420 VQLFWWDMKWFUJN-OJRASUONSA-N 364.438 2.621 0 1 FFAF C[C@H](Cc1cnccn1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 12431723 VUGBJKWOYQHYOY-LLVKDONJSA-N 374.347 2.683 0 3 FFAF O=C1CSCN1CCCCN1CCN(c2ccccc2Cl)CC1 13759362 SDWFDYMHGVJAFB-UHFFFAOYSA-N 353.919 2.775 0 1 FFAF CN1C[C@H]2C[C@@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1C2 169371363 XXWOCVWJOICKHA-NSISKUIASA-N 351.446 2.948 0 1 FFAF COc1ccc(-c2oc3c(O)c(OC)c(OC)cc3c(=O)c2O)cc1O 1857572861 BQDJOJBRQSNCGN-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF CN(C)C1CCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)CC1 1857645758 JRSONYCSISZJGD-FQEVSTJZSA-N 366.513 2.692 0 1 FFAF CC(C)NC(=O)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1 6841835 QRJYXNJLEQYNIC-UHFFFAOYSA-N 365.861 2.895 0 1 FFAF COC(=O)/C=C/c1cccc2c1C(=O)C(=O)N2Cc1ccc(OC)cc1 103230080 HVHPBLPSCROBSL-DHZHZOJOSA-N 351.358 2.611 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN[C@H](C)[C@@]12CC[C@@H]2C 27744352 PERXRZUOQHGJMN-HLWJFVEESA-N 351.878 2.827 0 1 FFAF COc1ccc([C@@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64453790 VPOACCMJRTVHJX-OAGGEKHMSA-N 356.472 2.967 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@@]2(O)[C@@H]31 2356663590 NJKMRMVURXZVOC-IYBANBFZSA-N 358.390 2.534 0 1 FFAF Cn1ncc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21 68204776 IINNYDBIZMTPEV-UHFFFAOYSA-N 351.337 2.774 0 1 FFAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1F 40403064 RIHMUBRBFIFVPY-KRWDZBQOSA-N 355.321 2.931 0 1 FFAF Cc1c(C(=O)NCCc2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O 49112534 OLTAIKOXBYCUDZ-UHFFFAOYSA-O 358.805 2.727 0 1 FFAF Cc1c2c(cn1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 95576461 ZKXAMWHXJVIWAD-UHFFFAOYSA-N 354.431 2.620 0 1 FFAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@@]1(C)C(=O)NCc1ccccc1 95605201 KUAVLYAEXWMDGB-NRFANRHFSA-N 368.481 2.920 0 3 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@]3(C)N(C)C[C@@H]2O 238777007 SBQQYHIOVRPXMT-ZSEKCTLFSA-N 371.433 2.835 0 1 FFAF CCOC(=O)c1sc(-c2cc3ccc(O)c(C=O)c3oc2=O)nc1C 261116100 IUIQFAVUZQWKGW-UHFFFAOYSA-N 359.359 2.920 0 1 FFAF CC(C)C[C@@H](NO)NC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 35280504 CTIWPWKPYDQLCB-VQTJNVASSA-N 371.481 2.560 0 1 FFAF biogenic Cn1ncnc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584310 ZPZXBEHVJCAGLD-OXJNMPFZSA-N 363.373 2.788 0 1 FFAF N=C(N)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120122 SESYFGRKRFIMMD-UHFFFAOYSA-N 362.359 2.989 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)C[C@H]1C(=O)OCC)CC2=O 587480793 WGUMZAYPKYODQB-YWZLYKJASA-N 361.438 2.564 0 1 FFAF CC(=O)SCc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O 587945071 KKTWSXDGMOVLGB-UHFFFAOYSA-N 366.418 2.588 0 1 FFAF Cc1nn(C)c(N)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757582 OVZWQXGYZZEPRN-UOWDBTKRSA-N 353.239 2.836 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(N(C)C)CC2)N1 587765016 BDQZAMVLSQDMQP-LLVKDONJSA-N 356.283 2.890 0 1 FFAF CC1=C(c2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)NNC(=O)C1 587136729 KTVCBYQJMFNVQX-UHFFFAOYSA-N 373.338 2.985 0 1 FFAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@H]1CCCNC1 1772651595 ALFCMIDACCFSPY-NSHDSACASA-N 358.833 2.854 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1 13740989 YJWJVDHUZUPACF-UHFFFAOYSA-N 359.495 2.617 0 1 FFAF Cc1nc2cc(-n3ncc(C(=O)c4cc5ncccc5[nH]4)c3N)ccc2[nH]1 150141093 FWUPGRCAIARXDF-UHFFFAOYSA-N 357.377 2.747 0 1 FFAF O=C1NC(=S)N/C1=C\c1ccc(Sc2ccccc2C(=O)O)s1 5541729 CBOZHPLUDRQNFD-YFHOEESVSA-N 362.457 2.943 0 1 FFAF COc1cccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)c1 1857571422 GHCXLAZHSOXLIF-IBGZPJMESA-N 374.343 2.623 0 1 FFAF CCOP(=O)(OCC)[C@@H]1N=C[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 1857577129 CIWHQJBTCNPDOW-MJBXVCDLSA-N 356.359 2.597 0 1 FFAF CC(C)N1CCC(Oc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 1857597508 SASUCAXYMAPNLF-UHFFFAOYSA-N 359.514 2.764 0 1 FFAF COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cccs2)c1 3894679 FWXPRPUGCLCHKL-UHFFFAOYSA-N 355.437 2.568 0 1 FFAF COc1cccc(Cn2c(=O)cnc3cnc(OCc4ccccc4)nc32)c1 4238593 QQKQKCHRDPGHAL-UHFFFAOYSA-N 374.400 2.822 0 1 FFAF Cc1cc(C)n(-c2n[nH]c(N3CCN(C)CC3)c3c4ccccc4nc2-3)n1 100860330 YCJFUAKPNBLZCL-UHFFFAOYSA-N 361.453 2.617 0 1 FFAF CC(C)Nc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)ccn1 58575883 VWVQWSIGDZWPIL-UHFFFAOYSA-N 363.469 2.764 0 1 FFAF CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1Cl 26752280 GJAYJBGLRYDTKW-UHFFFAOYSA-N 354.859 2.880 0 1 FFAF COCc1cc(N2CCc3onc(-c4cccc(OC)c4)c3C2)ncn1 67955195 CLULVQKYNUTDHR-UHFFFAOYSA-N 352.394 2.849 0 1 FFAF O=C(OCC1=CC=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 14489386 KTTMZEVXOJGXQS-MOPGFXCFSA-N 350.370 2.926 0 1 FFAF biogenic CN1CCN(CCC(=O)NN2c3ccccc3Sc3ccccc32)CC1 73161109 CIVPMIGRKOYJCI-UHFFFAOYSA-N 368.506 2.958 0 1 FFAF c1coc(-c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)co2)c1 72186438 WZIBSADAPJPXSH-UHFFFAOYSA-N 367.405 2.981 0 1 FFAF COC(=O)/C=C/c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO 137274628 SUWNTOBZXIAHKB-CMDGGOBGSA-N 366.421 2.558 0 1 FFAF CCCn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(CCC)c1=O 40976075 FTVPXIKSAVTJOH-UHFFFAOYSA-N 351.410 2.626 0 1 FFAF O=C([C@@H]1CCc2ccc(OCc3cc(F)cc(F)c3)c(=O)n21)N1CCCC1 40402309 ZFAHXOOMMUMEGC-KRWDZBQOSA-N 374.387 2.815 0 1 FFAF OCCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 84602936 PDLKOKNVHPGUHB-MQYQWHSLSA-N 350.850 2.999 0 1 FFAF CCc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 224954978 PMFVTAQWEMKDLC-CYBMUJFWSA-N 369.444 2.639 0 1 FFAF CN(CC(=O)OC[C@H]1CCCN1C)C(=O)c1csc(-c2ccccc2)n1 82073978 MVGIVJGHYSYHKH-OAHLLOKOSA-N 373.478 2.520 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC(C)C)C(C)=O)cc1 95894995 ZJWKNCRNQFQHDF-YEKHMCODSA-N 372.509 2.899 0 1 FFAF CC1=C2CC[C@@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O 238771675 HWHKBVPFJUPSOY-DLRJGAMMSA-N 350.455 2.558 0 1 FFAF C/C=C1\CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@@H]2C[C@H]1[C@H]4C(=O)OC 238751381 YNZQTHCMRFWODK-FAKAHEQOSA-N 368.477 2.595 0 1 FFAF CN1C=Cc2cc3c(cc2C(=O)[C@@]12COc1c2ccc2c1OCO2)OCO3 31502351 OSHWDBDJVMRZTD-FQEVSTJZSA-N 365.341 2.531 0 1 FFAF biogenic NC(=O)C1CCN(c2nccc(-c3c[nH]nc3C3CCCCC3)n2)CC1 299850220 PZCKMBKCOVRTLM-UHFFFAOYSA-N 354.458 2.616 0 1 FFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 586906909 HFEXZUMWIGKZQN-OAHLLOKOSA-N 365.433 2.976 0 1 FFAF O=C(CCc1nc2nc(Br)c[nH]c-2n1)Nc1cccc(F)c1 587161804 DPTZXTAPZVAULM-UHFFFAOYSA-N 364.178 2.777 0 1 FFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(=N)[nH]cc2[nH]1 587198056 FTXHCLBOPGKGTA-UHFFFAOYSA-N 358.405 2.896 0 1 FFAF Clc1ncc([C@H]2NCCc3cccc(Cl)c32)c(N2CCOCC2)n1 963378581 GUPBWQSSGYHLPV-OAHLLOKOSA-N 365.264 2.855 0 1 FFAF CC(=O)Oc1ccccc1[C@@]1(c2ccco2)c2c(cnn2C)CCN1C 963956844 ZVMZWDCICZSSEH-HXUWFJFHSA-N 351.406 2.718 0 1 FFAF CCOC(=O)[C@H](C)[C@]1(c2ccco2)NCCc2ccc(C(=O)N(C)C)cc21 962929696 VWMFQYYWYCYPOQ-QKKBWIMNSA-N 370.449 2.570 0 1 FFAF Cc1c[nH]nc1C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2(C)C 1772628681 NQVIRHGQMVUASM-UHFFFAOYSA-N 362.455 2.717 0 1 FFAF CN(Cc1ccc(Cl)cc1)c1cc(C(=O)N=c2cc[nH]cc2)ncn1 1772590675 RRKGYCCRDWFTLK-UHFFFAOYSA-N 353.813 2.836 0 1 FFAF OCC1CCN(c2ncc3c(n2)CCC[C@H]3NC2CCSCC2)CC1 12192235 JPJLZTKPIGHXHM-QGZVFWFLSA-N 362.543 2.548 0 1 FFAF CC(C)c1csc(/C=C/c2ccn3c(=O)c(-c4nnn[nH]4)cnc3c2)n1 13587631 SVYKCMUJCHOQMW-ONEGZZNKSA-N 365.422 2.625 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169295302 ZGINMMAZDQRTDJ-ZBYIIHBLSA-N 353.462 2.960 0 1 FFAF CC=Cc1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC 2356498571 CFDIKEGTRYTKPN-KRWDZBQOSA-N 358.346 2.959 0 1 FFAF CC1CCN(C(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)CC1 101784785 XKEXVLQBOZINFE-UHFFFAOYSA-N 359.430 2.947 0 1 FFAF O=C(OC1CCN(CC[18F])CC1)C(O)(c1ccccc1)c1ccccc1 101489148 KWDWGQNIBAXCHO-KVTPGWOSSA-N 356.428 2.900 0 1 FFAF CC=C1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356503341 FCUKPABXXVEFHR-LMMKCTJWSA-N 370.449 2.520 0 1 FFAF C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1CCc1ccccc1 61895763 SCUIEKPAEIQSBC-OAQYLSRUSA-N 352.434 2.739 0 3 FFAF CCOc1ccccc1-c1nc(CN2CCN(c3ncccn3)CC2)co1 72102252 AMLYXVZQFIOTNO-UHFFFAOYSA-N 365.437 2.853 0 1 FFAF CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 82208358 ZVWNIQPRLLGTTM-AWEZNQCLSA-N 362.474 2.704 0 1 FFAF Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)c1 45364706 RDAAIBFISRFGQX-UHFFFAOYSA-N 368.466 2.936 0 1 FFAF O=C([C@@H]1CCc2ccc(OCc3ccc(F)cc3)c(=O)n21)N1CCCC1 40916211 MNUQLNVJBALNLL-KRWDZBQOSA-N 356.397 2.676 0 1 FFAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2cc[nH]c2c1=O 146318101 COSBTRPLBVPWCS-UHFFFAOYSA-N 372.446 2.726 0 1 FFAF COc1cnc(-c2cnc3ccccc3c2)nc1-c1cc2c([nH]1)CCNC2=O 95559065 CIUATZJWGJGLPW-UHFFFAOYSA-N 371.400 2.981 0 1 FFAF in-vitro COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1 653854492 QHALTIVQQSUKFD-UHFFFAOYSA-N 364.320 2.511 0 1 FFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2N1 587123265 HHTDMEOGQFTBDD-JVXZTZIISA-N 364.331 2.833 0 1 FFAF COCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791411 IGDVGJLQUQFBCX-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF O=C(O)COCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587563536 TWKGKMZJLVCLMO-UHFFFAOYSA-N 353.094 2.945 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]31 587108323 ZPLQIQDQWAXUFZ-YEDKGOCGSA-N 356.381 2.759 0 1 FFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3O[C@H]3C)[nH]c2c1 586917331 QEYYLEPIXJFLDV-MGPLVRAMSA-N 359.407 2.832 0 1 FFAF COC(=O)c1cc(OC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OC 587945899 SSSJUJNACUHOIX-UHFFFAOYSA-N 373.384 2.973 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCSC[C@@H]1C(=O)OC)CC2=O 587494408 JXDLZZPUPHUMAU-ACJLOTCBSA-N 350.436 2.975 0 1 FFAF CC(C)c1nn(C)c2c1[C@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)NCC2 962923996 UZQYHEZDWUQEOQ-FQEVSTJZSA-N 365.437 2.897 0 1 FFAF Cc1c(F)ccc2c1[C@](C)([C@H]1C(=O)c3cccc4c3N(CC4)C1=O)NCC2 962095546 VADWTKSDNRSGFG-PGRDOPGGSA-N 364.420 2.897 0 1 FFAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c1 149587482 XAMCCSYNPOEISO-DLBZAZTESA-N 364.453 2.786 0 1 FFAF CC(C)n1nc(NC(=O)c2cc(-c3cccs3)on2)c2c(N)ncnc21 1772626901 SKTGGZYNRCDSAV-UHFFFAOYSA-N 369.410 2.958 0 1 FFAF COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1 13761362 DMZKKCRZCZZBAT-UHFFFAOYSA-N 358.423 2.505 0 1 FFAF CC1(C)C(=O)c2cc(Br)ccc2[C@@H](n2ccccc2=O)[C@@H]1O 13832150 APBPXIJFNPFNFJ-ZBFHGGJFSA-N 362.223 2.784 0 1 FFAF CCN1C[C@H](CN(C)c2ccc(-c3nc(CC(C)C)no3)cn2)CC1=O 19771148 GALMHHYLBQHPSN-AWEZNQCLSA-N 357.458 2.635 0 1 FFAF C[C@@H]1C[C@@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 169727705 UKVAEISSAVZLLZ-WBMJQRKESA-N 363.421 2.928 0 1 FFAF CCCC(=O)OCSc1ccccc1C(=O)NC1(C(N)=O)CCCC1 1857587578 KZEOVIYKAQAXFQ-UHFFFAOYSA-N 364.467 2.607 0 1 FFAF COCCCN1CCC(CNC(=O)c2cccc3cc(C(C)C)nn23)CC1 1857645547 XFIBLFNUBRPOJC-UHFFFAOYSA-N 372.513 2.936 0 1 FFAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCOc2ccccc2)cc1 2466583 RPFLJIVYTQTPKS-OAQYLSRUSA-N 367.449 2.688 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@@H](O)C3=O)O1 4081172 IQOIPKBZJPSWAV-ZWKOTPCHSA-N 356.374 2.879 0 1 FFAF biogenic,in-vitro COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1OC(F)F 103064943 IYTRTYNYAQQBCM-CYBMUJFWSA-N 354.309 2.930 0 1 FFAF CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)c1nc2ccccc2o1 64539660 WNHLSUXSXXFTRC-JKSUJKDBSA-N 371.437 2.696 0 1 FFAF Cc1c(CN(C)c2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1 28866844 GDKAXBJVORGIPR-UHFFFAOYSA-N 365.433 2.656 0 1 FFAF Cc1cc2cc(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)cnc2[nH]1 29048198 TWMZCSILGUQRIG-LLVKDONJSA-N 353.382 2.774 0 1 FFAF O=C(O)[C@H]1Cc2ccccc2C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 28330761 LXQKWUKMJDUEEO-JKSUJKDBSA-N 350.823 2.982 0 1 FFAF CCOc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC 27618790 IOOOPIQISFLCNT-UHFFFAOYSA-N 354.414 2.517 0 1 FFAF C[C@@H]1C[C@H](O)C2=C(C[C@H]3C[C@@]2(C)C(=O)O3)[C@]12C[C@@H](c1ccoc1)OC2=O 2356600447 MFHOMRGXWAMDNN-NHZWNBANSA-N 358.390 2.677 0 1 FFAF CCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@@H]1C 2356663673 QJUKURZOKSVYNB-BKIBTHEMSA-N 366.454 2.691 0 1 FFAF COC(=O)C1=C(N2CCC[C@H]2C)[C@@H]2c3ccccc3S[C@]12C(=O)OC 34819611 KUBUYDVTPCZEOX-WQBCIRTESA-N 359.447 2.713 0 1 FFAF N[C@H]1CSCON2CCc3c([nH]c4cc(Br)ccc34)[C@@H]12 15209808 DBJUZIDWYRVTSZ-SMDDNHRTSA-N 354.273 2.793 0 1 FFAF biogenic CCCCC(=O)N(C)CCc1cnc(N2CCN(CCC)CC2)s1 40977053 HEIYIDMNJYVCOH-UHFFFAOYSA-N 352.548 2.866 0 1 FFAF NCc1noc(-c2nn(Cc3ccc(-c4conn4)cc3)c3ccccc23)n1 40394818 NSIPXDLYYUPUMX-UHFFFAOYSA-N 373.376 2.643 0 1 FFAF C[C@@H]1C[C@@H](O)CCC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299810844 PAYXAYNFEVIEBJ-MNOVXSKESA-N 368.813 2.899 0 1 FFAF CC1(C)NC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343266 AYEBMHFPGWAJGP-FXAWDEMLSA-N 355.365 2.928 0 1 FFAF COC[C@@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755966 CEPLZZIOVAGXAO-HWPZZCPQSA-N 368.250 2.746 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1 586937384 ZKAWYXOBIHWGGY-UHFFFAOYSA-N 374.253 2.947 0 1 FFAF O=C(NCCc1nc2cc3c(cc2[nH]1)OCCO3)OCc1ccccc1 587228285 MINLZGMLUJQKAR-UHFFFAOYSA-N 353.378 2.803 0 1 FFAF Cc1onc(-c2nc3nc(=N)[nH]cc3[nH]2)c1COc1ccccc1Cl 587062857 BKZCAWYVDNPFSK-UHFFFAOYSA-N 356.773 2.961 0 1 FFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 587125044 OYVFVKBGSYNSFD-QTTZVWFDSA-N 351.336 2.898 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 586939470 PKSJWOCHBZQQJD-LLVKDONJSA-N 360.439 2.710 0 1 FFAF N[C@H](c1ccsc1)c1nc2cc(I)cnc2[nH]1 587025234 JSAWJECBSSYARG-SECBINFHSA-N 356.192 2.672 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N(C)C)c1)O2 587409538 MCHXQUVJQHPQHI-LJQANCHMSA-N 374.462 2.708 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@]2(CCc3cc4c(O)nc(O)nc4nc3C2)C1 587558241 PBRGCHYVEPWPBU-IBGZPJMESA-N 372.425 2.552 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1C[N@@]1Cc1ccnc2ccccc12 1857742832 GVKFUXHFCRZTDK-VERVWZFWSA-N 361.232 2.983 0 1 FFAF Cc1cccc2c1nc1n2[C@H](CNS(=O)(=O)Cc2ccccc2)COC1 2356299952 RAFVLGBUJVNBFI-MRXNPFEDSA-N 371.462 2.536 0 1 FFAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccccc1Cl 7551132 CNNGSDCPEPMUQT-OAHLLOKOSA-N 366.801 2.718 0 3 FFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2 28016618 IBOZZWGMZPMXBO-MQYQWHSLSA-N 371.218 2.688 0 1 FFAF CCCNC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66077184 OBPJMOOKYQFKMD-UHFFFAOYSA-N 373.906 2.950 0 1 FFAF COc1cccc2[nH]c3c([C@@H]4[C@H](C(C)(C)O)CC[C@@]4(O)CO)nccc3c12 2356603733 NDJNRBQJLNVWPV-GQNMWPQZSA-N 370.449 2.713 0 1 FFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356683798 DKVDXRLJBXRNDO-NCYKPQTJSA-N 369.509 2.680 0 1 FFAF CC1=CC[C@H]2C[C@@H](OC(=O)[C@@H]2C)[C@](C)(O)CCC[C@@](C)(O)CC[C@@H]1O 2356781032 HMIGUDSITFEJTO-ASZLNGMRSA-N 354.487 2.718 0 1 FFAF CC1=CC[C@H]2C[C@@H](OC(=O)[C@@H]2C)[C@](C)(O)CCC[C@](C)(O)CC[C@@H]1O 2356781034 HMIGUDSITFEJTO-YDIIJOILSA-N 354.487 2.718 0 1 FFAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(C)(C)O)c(F)c1 29128746 VGXHQCJIZOHGON-UHFFFAOYSA-N 363.360 2.806 0 1 FFAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@@H]1C2 85618320 LAFREGHROJJWDK-CJMONDIMSA-N 368.385 2.910 0 1 FFAF in-vitro C/C1=C/CC[C@@](C)(O)[C@H](O)C[C@@H]2CC[C@](C)(OC(=O)[C@H]2C)[C@H](O)CC1 238786506 JYRNLNBXLZDLIM-DCKZRPTMSA-N 354.487 2.718 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95894128 XTQBSVCVYJLKNC-GGPKGHCWSA-N 365.433 2.804 0 1 FFAF COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)cc1 245230316 PCMIHVHYLHCSMN-QAMTZSDWSA-N 366.417 2.981 0 3 FFAF CSc1ncc2ccc3c(C(N)=O)cn([C@H]4CC[C@@H](N)CC4)c3c2n1 261097536 FRANNCVVJFQWOT-TXEJJXNPSA-N 355.467 2.848 0 1 FFAF O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1Cc1ccccc1 299828484 RJLFLJWDHGHFJM-ZAUODEDMSA-N 364.397 2.937 0 1 FFAF CN(Cc1nc2c(Cl)ccnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169342 BTQTYUBPKZVRDW-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587225233 OATDOSOYDMVNKG-UHFFFAOYSA-N 353.378 2.976 0 1 FFAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N 587552305 PWAKUVMRHPZYLT-BLLLJJGKSA-N 371.780 2.895 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2cnc(Br)cc2[nH]1 586967493 ZXNOEDAYWPZSMJ-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF CCS(=O)(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586908074 LXUGUNAZOKFPSZ-UHFFFAOYSA-N 356.403 2.995 0 1 FFAF Oc1nc(O)c2ccc(-c3cccc(I)c3)nc2n1 587369417 HLHYQHTYSDHLKY-UHFFFAOYSA-N 365.130 2.708 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587447514 AYSPFMRMUHXAPG-HNAYVOBHSA-N 373.430 2.730 0 1 FFAF C[C@]1([C@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554478 IERVEXKBEAZWPN-CCKFTAQKSA-N 358.321 2.768 0 1 FFAF CCOC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794845 HJOJPYRBZJCPDO-QLJPJBMISA-N 374.250 2.917 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(SC)cc3[nH]2)cc1 586947147 UWRCGAFQVYURSS-UHFFFAOYSA-N 361.492 2.978 0 1 FFAF C=C(NC(C)=O)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587202927 IKHUJHFQPHRWPD-UHFFFAOYSA-N 352.188 2.609 0 1 FFAF CS(=O)(=O)[C@H]1CCC[C@]12c1ccsc1CCN2Cc1cccnc1 962999624 YSZDYBZGADMQFO-ROUUACIJSA-N 362.520 2.994 0 1 FFAF CCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O 5095315 ASSNBJUCBTWPCO-UHFFFAOYSA-N 359.451 2.648 0 1 FFAF O=C(COc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290413 RVQUNRKUKYLRMI-MRXNPFEDSA-N 370.380 2.962 0 1 FFAF O=C1c2[nH]c3cc(-c4cccs4)nn3c(=O)c2CN1Cc1ccccc1 101451154 AREIUJMITXIHDY-UHFFFAOYSA-N 362.414 2.907 0 1 FFAF NC(=O)c1cccc2c(N[C@H](Cn3ccnc3)c3ccccc3)ncnc12 114345720 ZOAQMCSHCNWYTR-QGZVFWFLSA-N 358.405 2.779 0 1 FFAF C[C@@H]1C[C@@H](O)C=CC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356437631 AAIKDNQBGRZMEM-MNOVXSKESA-N 366.797 2.675 0 1 FFAF CC(C)(C)OC(=O)N[C@@H](CCCCCC(=O)O)C(=O)NC1CCCC1 64559138 XVMXZTJLRNRWKO-AWEZNQCLSA-N 356.463 2.974 0 1 FFAF O=C1C[C@](O)(c2ccccc2)[C@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 14884348 ANQCWAZGTFETKF-SFTDATJTSA-N 364.353 2.657 0 1 FFAF biogenic Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2Cc1ccccc1 45317296 VZRSQFOSYLPEJG-UHFFFAOYSA-N 369.317 2.730 0 1 FFAF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)Cc1ccccc1 98085007 JPWFMOCBFVINHR-GOSISDBHSA-N 357.450 2.868 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586951267 VHRYWOJMCOLXLD-UHFFFAOYSA-N 371.422 2.962 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)C2)N1 587843876 KRAXWVQUNKNUDU-YMTOWFKASA-N 362.264 2.526 0 1 FFAF Cc1ccc(-n2cnnc2SCc2nc3c[nH]c(=N)[nH]c-3n2)cc1Cl 586967908 IQCFCOBWHVXWSQ-UHFFFAOYSA-N 372.845 2.552 0 1 FFAF COC(=O)c1cc(Br)c2nc(/C=C/C=C\C(=O)O)[nH]c2c1 587964631 ALFSTWVZJZNEPV-HZDAAVBUSA-N 351.156 2.766 0 1 FFAF O=C(OCc1ccccc1)N1CCCc2cc3c(O)nc(O)nc3nc2C1 587559325 XUKCWDMTVCWGQU-UHFFFAOYSA-N 366.377 2.521 0 1 FFAF COC(=O)c1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cn1 587175417 RWSZKXXJQSBHMT-LBPRGKRZSA-N 353.357 2.607 0 1 FFAF O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587593231 IMGSUGWHIFGLQT-FCQGJPJTSA-N 365.385 2.639 0 1 FFAF CCOC(=O)C[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595820 OQODWGZWMUFMFX-PXNSSMCTSA-N 372.373 2.692 0 1 FFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586940652 BORFYXBLZOXWBU-VOTSOKGWSA-N 367.434 2.838 0 1 FFAF Cc1ccc2nc(O)c([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2c1 963492943 UKMIKJVCZKTALJ-PKOBYXMFSA-N 364.401 2.951 0 1 FFAF CCOC(OCC)[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962647029 UEUHYFLLKRKLPX-RTWAWAEBSA-N 372.465 2.948 0 1 FFAF O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1C/C=C/c1ccccc1 5031895 XMZAVLCRYHCMSB-QPJJXVBHSA-N 361.380 2.889 0 1 FFAF CN(Cc1cnn(C)c1)C(=O)c1cc(COc2c(F)cccc2F)on1 12386598 DRFZYZWNPFNKOM-UHFFFAOYSA-N 362.336 2.538 0 3 FFAF C[C@H](Sc1ccccc1Cl)c1nc(N2CCN(C)CC2)[nH]c(=N)n1 1857576589 JEBSDCMUPMBUER-NSHDSACASA-N 364.906 2.543 0 1 FFAF COc1ccccc1N1CCCN(c2nc(O)c3c(n2)CCCC3)CC1 1857609776 BPCSDKZDBQJRAP-UHFFFAOYSA-N 354.454 2.786 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@H]1C2 58475009 KPYLTXHXALSGPG-IEZWGBDMSA-N 356.466 2.718 0 1 FFAF Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccccc4)c3C2)nc1 114994789 RKPAFGOLZJQTPL-LJQANCHMSA-N 361.449 2.888 0 1 FFAF CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(c2ccccc2)CC1 22938873 JWUMTZQBXUPHNJ-FCHUYYIVSA-N 373.585 2.817 0 3 FFAF COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1 27618746 CZLCNTMZJGFNGW-MRXNPFEDSA-N 370.430 2.519 0 1 FFAF COC(=O)[C@@H]1[C@H]2C=C(c3ccccc3)[C@@H]([C@@H]1CO)N(Cc1ccccc1)C2 2356723520 LYFMPIOFKDBKLF-PDGJWGCVSA-N 363.457 2.982 0 1 FFAF COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@@H]2c2ccccc2)cc1 73158025 WYUFFOSVVBIDQL-NQIIRXRSSA-N 368.385 2.863 0 1 FFAF CC[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035056 INJZOGFTQYTLTF-GFCCVEGCSA-N 373.356 2.767 0 1 FFAF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 136437480 NDYAXPIAEFCPMJ-CVEARBPZSA-N 360.366 2.779 0 1 FFAF CCCS(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 42102527 SNMVDHSDTMGWJZ-UHFFFAOYSA-N 353.875 2.750 0 1 FFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2S(=O)(=O)[C@@H]31 473094934 WVOZSPCORSJTPC-IBGZPJMESA-N 368.414 2.661 0 1 FFAF Fc1cc2c(c(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c1)OCOC2 587171865 UCTXSKULAZSCJE-UHFFFAOYSA-N 354.263 2.920 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436038 MOWKKDHYNYTZEN-KCQAQPDRSA-N 357.406 2.965 0 1 FFAF CCS(=O)(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606003 FOVZEPATWUYCAT-QAPCUYQASA-N 362.403 2.547 0 1 FFAF CCc1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12 1772651451 POUDHECNJUQUNG-UHFFFAOYSA-N 356.389 2.782 0 1 FFAF CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 5042517 YQASVUOYNJSHSU-UHFFFAOYSA-N 351.424 2.744 0 3 FFAF aggregator C[C@H]1CCc2nn(CC(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 5148483 VAFNVTASHKRPRQ-KRWDZBQOSA-N 366.509 2.789 0 1 FFAF COc1cc2c(cc1OC)[C@@H](O)[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 5966819 ZEMPGHLRDGSFGK-WOJBJXKFSA-N 371.433 2.964 0 1 FFAF CC(=O)c1cc(NC(=O)CC(C)C)ccc1OC[C@@H](O)CNC(C)C 169334079 CYSAWFUTDVMFAG-INIZCTEOSA-N 350.459 2.612 0 1 FFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(C(=O)O)cc3)sc2n1 1857600400 NLNAFDQBPFOWID-UHFFFAOYSA-N 355.419 2.858 0 1 FFAF Cc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cc1-c1ccccc1 13673764 QWXNVUCKUVJZPH-UHFFFAOYSA-N 357.239 2.713 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2O)[C@H](O)C3=O)O1 2356410112 BTXPVCGAZAPESU-IEBWSBKVSA-N 372.373 2.584 0 1 FFAF COc1ccc(CNC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 74377381 RQSIPQVANCMYJW-RTBURBONSA-N 365.433 2.948 0 3 FFAF COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1C[C@@H](O)C(C)(C)O 14696949 UNAHBFVKPGDHSP-QGZVFWFLSA-N 362.422 2.821 0 1 FFAF biogenic CC1(C)NC(N)=NC(=N)N1OCOc1cc(Cl)c(Cl)cc1Cl 45167830 GCQTWOBVKUXCCM-UHFFFAOYSA-N 366.636 2.805 0 1 FFAF COc1cc2nc(N3CCN(C)CC3)nc(NCCC(C)C)c2cc1OC 82130180 NGQVYMFFXVTHMN-UHFFFAOYSA-N 373.501 2.857 0 1 FFAF CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO 95661142 VLLCCHQLSBHAQW-DXIQSLLYSA-N 368.477 2.552 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253915547 AKYKYHKJUHUACD-VNVKRSRUSA-N 350.499 2.681 0 1 FFAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCc1cccc(Cl)c1 299850349 AUHJTBNCBWXACT-LJQANCHMSA-N 371.824 2.565 0 1 FFAF CCOC(=O)Cc1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 587923586 YCGUYHTVIRVAHZ-UHFFFAOYSA-N 368.480 2.702 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586945457 FTSJQXULDDLEQS-UHFFFAOYSA-N 374.344 2.594 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)cc(OC)c3[nH]1)C2 587247517 SZCJMGYEZIFVEC-FQEVSTJZSA-N 353.422 2.932 0 1 FFAF CC[C@@H]1/C=C/[C@@H](O)[C@@H](O)C/C=C\c2cc(OC)cc(O)c2C(=O)O[C@H]1C 169320438 BBBYYQVMEHVGSS-IFODKDSASA-N 362.422 2.667 0 1 FFAF CCc1ccc(NC(=O)N2C[C@@H]3C[C@H](C(=O)NC4CCC4)[C@H](C2)O3)cc1 1857600493 CYCYWMJTILJDAU-BZSNNMDCSA-N 357.454 2.539 0 1 FFAF CCCCN=c1[nH]c(=N)[nH]c2cccc(C(=O)N(C)Cc3ccccc3)c12 1857642116 FBNRMKHUDIPAGQ-UHFFFAOYSA-N 363.465 2.948 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055213 CVCFWBBSOASEAO-ZFWWWQNUSA-N 350.827 2.602 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nccs2)cc1 7654620 AVJXGTCULQJMMN-CQSZACIVSA-N 365.480 2.633 0 1 FFAF N=c1[nH]c2nc(SCc3ccccc3)nc(N3CCC[C@@H]3CO)c2s1 1911582972 CQVGVNLYAXDBKR-GFCCVEGCSA-N 373.507 2.752 0 1 FFAF COc1cccc2c1C[C@@H](NCCCN1C(=O)c3ccccc3C1=O)CC2 29554904 HFWQIBPOQDGQMR-INIZCTEOSA-N 364.445 2.828 0 1 FFAF CC(C)(C)c1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1 147086600 ZMEYPNTUCZBQQN-UHFFFAOYSA-N 367.409 2.708 0 1 FFAF O=C(Nc1nc2cccc(-c3ccc(N4CCOCC4)cc3)n2n1)C1CC1 96174619 KMXIWNGMTSUUHO-UHFFFAOYSA-N 363.421 2.581 0 1 FFAF Cc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 96273575 UFQVFENMKGBUDA-NHCUHLMSSA-N 350.462 2.813 0 1 FFAF COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccnn12 96933207 BPCHHKXGJFXGRO-UHFFFAOYSA-N 353.165 2.535 0 1 FFAF CNC(=O)[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473115307 RNAQONXYPNTQIF-KRWDZBQOSA-N 358.825 2.813 0 1 FFAF CCOc1ccc2cc(-c3nn(C4CCC4)c(N)c3C(N)=O)cnc2c1 653706676 ATIDQUUZAPHKND-UHFFFAOYSA-N 351.410 2.903 0 1 FFAF N=C(N)Nc1ccc(CNc2c(C3CCNCC3)nc3ccccn23)cc1 653796428 RGUFBWGZZVMKJY-UHFFFAOYSA-N 363.469 2.719 0 1 FFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccnc4[nH]3)c2)o1 586923247 HGNMDIZNSZATAR-UHFFFAOYSA-N 369.406 2.544 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C(N)=O)c3[nH]2)C(F)(F)C1 587132709 SXJKLOGBPSDJFQ-JTQLQIEISA-N 366.368 2.631 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)OC)cc3[nH]2)c1 586921868 OKQGSGINOKMZGS-UHFFFAOYSA-N 358.419 2.734 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587228955 VCUYOGZWCNDWOA-UHFFFAOYSA-N 359.332 2.786 0 1 FFAF CCOC(=O)[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351360 UGGYRBSPPHNKPB-YLJYHZDGSA-N 372.348 2.781 0 1 FFAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(I)cc2[nH]1 586910424 OUHOLBMDAJEHKO-QMMMGPOBSA-N 356.163 2.977 0 1 FFAF CNS(=O)(=O)N1CCC(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC1 586955060 SMTKKKVQQVUTKM-UHFFFAOYSA-N 350.488 2.504 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(S(N)(=O)=O)c1 587872433 MBJNHITXYBSDJC-UHFFFAOYSA-N 361.398 2.725 0 1 FFAF CN[C@H]1c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2[C@@H]1CCO 1772654279 LXQQHMVSKDDSKV-LPHOPBHVSA-N 356.447 2.618 0 1 FFAF CC(=O)N1CCC[C@H]1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772649641 LCOZHFLISQGCLX-SFHVURJKSA-N 365.437 2.658 0 1 FFAF Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(C)CCc1ccccn1)CO2 206491451 DSFPIZWTRJKWQK-UHFFFAOYSA-N 362.433 2.847 0 3 FFAF N#Cc1cccc2c1CN(CCn1cnc(-c3cc(C(=O)O)ccn3)c1)C2 225937360 LAEIVQMOCJOJOW-UHFFFAOYSA-N 359.389 2.531 0 1 FFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O 13520264 NALROBPVVYUESB-ZBRFXRBCSA-N 351.468 2.837 0 1 FFAF in-vivo O=C(NCc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc(Cl)c(F)c1 52912402 YXEUJZJLOQLEHW-UHFFFAOYSA-N 364.808 2.726 0 1 FFAF CCCC(=O)COc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC 29339194 FTMLVIOQPVOHIU-UHFFFAOYSA-N 369.893 2.742 0 1 FFAF O=C(C(=O)N1CCCC[C@@H]1C(=O)NCCc1ccccc1)C1CCCCC1 26954367 VXEJDDGPKIGURS-LJQANCHMSA-N 370.493 2.876 0 1 FFAF CC(=O)O[C@@H]1CC=C(C)[C@H](OC(C)=O)C[C@@H]2[C@@H](C=C1C)OC(=O)[C@H]2C 2356544860 GOGQNNWYPKCAMI-KMJFJPQNSA-N 350.411 2.714 0 1 FFAF Cc1ccc(CN2CCC[C@@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)o1 2356812481 MSBQBWLGWSGJMS-MRXNPFEDSA-N 354.434 2.860 0 1 FFAF O=C(C1=Cc2ccccc2OC1)N1CCN(Cc2ccc(F)cc2)CC1 49033867 QKOJMBSUPFNQJI-UHFFFAOYSA-N 352.409 2.946 0 1 FFAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 40737683 FNKNQFGGIZMZKI-QWFCFKBJSA-N 371.525 2.772 0 1 FFAF CN1CCC=C([C@H]2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 40875874 ZSLAVOGAFBWDPB-MRXNPFEDSA-N 351.903 3.000 0 1 FFAF C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@@H]3C(=O)C[C@]12C 255259343 PJMSRJYOTNDEEP-DMTZYULGSA-N 350.499 2.537 0 1 FFAF Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 263590351 TXBHFFCJEXRMKK-RDJZCZTQSA-N 374.437 2.866 0 3 FFAF CCOC(=O)CC[C@@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587398323 DWJVNTBQYMWPLZ-IBGZPJMESA-N 363.410 2.578 0 1 FFAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1 586973938 SHQMHGDVMCOHCN-INIZCTEOSA-N 368.462 2.772 0 1 FFAF CCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 587276670 QGTPUUNQEKXQTI-UHFFFAOYSA-N 350.172 2.530 0 1 FFAF CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171365 XDOITZMNEFZQSN-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF CC(=O)N[C@@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 587216496 CJOBXTYCJIHYJH-SFHVURJKSA-N 364.449 2.993 0 1 FFAF Cc1c(O)ccc2c1[C@](c1ccc(Cl)s1)([C@@H](C)O)N[C@H](C(=O)O)C2 963551419 NOLUMRRQLHNGIK-MIHTYCSTSA-N 367.854 2.639 0 1 FFAF COc1cc(OC)c([C@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772626419 VQLFWWDMKWFUJN-NVAYWJMMSA-N 364.438 2.621 0 1 FFAF CCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721749 RXELPHIQNIYFNB-UHFFFAOYSA-N 364.467 2.808 0 1 FFAF c1nc2c(NC3CC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 590575 YIHIFTKWCROQBT-UHFFFAOYSA-N 351.414 2.507 0 1 FFAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2 100817391 GPTFOAJWBIXTMY-SYQHCUMBSA-N 371.218 2.688 0 1 FFAF Cc1nc2nc(N(Cc3ccccc3)C(=O)c3ccco3)nn2c(O)c1C 103703317 PMFDLWPKGRJMQR-UHFFFAOYSA-N 363.377 2.887 0 1 FFAF CC(C)C[C@H](CN)CC(=O)OCCCCOC(=O)C[C@H](CN)CC(C)C 26504647 CDGSCSMJKMKAQQ-HDICACEKSA-N 372.550 2.875 0 1 FFAF CC(C)Oc1ccc2c(c1)[C@]1(CCC2)CC(=O)N(CCCN(C)C)C1=O 27562199 ZXSCVBLSCROKBF-NRFANRHFSA-N 358.482 2.759 0 1 FFAF COC(=O)C1=CN[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 2356500160 QRQPCYRAKCACCD-BEQMWEJSSA-N 351.450 2.752 0 1 FFAF CC(=O)O[C@H]1CC(=C(C)COC=O)[C@H]2C=C(C)[C@H](OC(C)=O)C[C@H]2[C@H]1C 2356598835 CGWKVECDFVHISA-VUCAUUSGSA-N 364.438 2.962 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@H]2CNC1CCCC1 2356778811 DULRAFVTZYWWOW-PNNDKOSISA-N 352.478 2.692 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 65731641 AOPOCGPBAIARAV-JJVMZPRHSA-N 350.455 2.905 0 1 FFAF endogenous,in-man COC(=O)[C@@H]1[C@H](O)CC=C2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 13452877 YNBUWOBJOATOHI-AITUJVMLSA-N 352.434 2.567 0 1 FFAF biogenic CCCC[C@H](N)[P@](=O)(O)C(=S)NCc1ccccc1C(=O)OC 49069538 KZVJJQCEPZDUJY-CYBMUJFWSA-N 358.400 2.593 0 1 FFAF CCNC[C@H]1[C@H]2C=C[C@@H]3N([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]31O 85547858 RJRXULCIAXWXHS-GWOSEBQGSA-N 366.505 2.940 0 1 FFAF biogenic,in-vitro N[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(=O)O 40918036 NFTAKLODMXBWJT-SFHVURJKSA-N 356.422 2.829 0 1 FFAF in-vivo CN(CCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)Cc1ccccc1 49073059 PRRCKHKYWTUVDE-UHFFFAOYSA-N 357.841 2.865 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cc2)cn1 149744565 VJECPSDOOMWUOC-UHFFFAOYSA-N 359.393 2.969 0 1 FFAF COC(=O)[C@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 146340833 CLVRLEZFLMKDMP-JTQLQIEISA-N 354.834 2.841 0 1 FFAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=C[C@@H](O)C[C@@H]32 238765143 CGQOKZXUXIPCDS-GZZIYMDFSA-N 358.390 2.534 0 1 FFAF COc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1 653737708 DPJVLCNBELPWBX-UHFFFAOYSA-N 351.362 2.813 0 1 FFAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(S)nc(S)nc2[nH]1 587052413 SEZQZFRGXBUSDK-SSDOTTSWSA-N 353.860 2.532 0 1 FFAF N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOC1 587247230 NBTVWCKFNGSMCO-NSHDSACASA-N 350.138 2.919 0 1 FFAF CCOC(=O)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 587273288 JPCJYRCYWJZKCL-UHFFFAOYSA-N 370.199 2.999 0 1 FFAF COC(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1OC 586908729 ULZHHMWUBCKPSA-JTQLQIEISA-N 354.362 2.939 0 1 FFAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587958600 AIYBXPFOVVGRKX-UHFFFAOYSA-N 358.419 2.574 0 1 FFAF Cc1cnc(-c2ccncc2N2CCC(C(=O)N3CC(F)C3)CC2)s1 209489709 NGKDECHJIUPPDL-UHFFFAOYSA-N 360.458 2.910 0 1 FFAF Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCCN(C)C)[C@@H]1O2 169323924 UQGMDHYJFNAJBL-ACRUOGEOSA-N 358.482 2.593 0 1 FFAF CCCCc1nc(S(=O)(=O)c2ccccc2)c(N2CCOCC2)o1 4185047 DDVOQZUAWMAHBS-UHFFFAOYSA-N 350.440 2.687 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)n1 2356302012 JWGGMYDKQVPHQG-WMLDXEAASA-N 374.391 2.845 0 1 FFAF Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 103548151 RFIDYKGGYOLFMN-LBPRGKRZSA-N 363.398 2.684 0 1 FFAF COC[C@H]1CC[C@H]2C1=C[C@@]1(C)C(=C(C(C)C)C[C@H]1O)[C@H](O)[C@H](O)[C@H]2C 103541568 YZZBBYUVOSVRJT-YFUKHFFGSA-N 350.499 2.680 0 1 FFAF in-vitro COc1ccc(N)cc1-c1nc([C@H]2SC[C@@H](C(=O)O)N2C)cs1 103234756 QOCIWPBFEQSIIQ-SMDDNHRTSA-N 351.453 2.531 0 1 FFAF Nc1cc(F)ccc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2c1 212352255 LYMVFDJKXRRGGF-UHFFFAOYSA-N 365.412 2.618 0 1 FFAF CCN1c2ccccc2N=C(N2CCN(CCO)CC2)c2cscc21 39241384 PYTNSMYDBAPBDM-UHFFFAOYSA-N 356.495 2.908 0 1 FFAF COc1ccc(C(=O)c2ccc(=O)n(-c3ccc(C(C)=O)cc3)c2)c(O)c1 45261627 CAEVYBRUYYJGRC-UHFFFAOYSA-N 363.369 2.985 0 1 FFAF CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(N[C@@H](C)COC)n1 40762789 PAOZBZUWUALSCM-ZDUSSCGKSA-N 359.430 2.800 0 1 FFAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199207679 KLEPRTCSKKCTOJ-HXUWFJFHSA-N 365.433 2.603 0 3 FFAF Cn1cc(-c2cnc3ccc(NS(=O)(=O)c4cccs4)nc3c2)cn1 473104893 PLOFFWIVWNBFQH-UHFFFAOYSA-N 371.447 2.893 0 1 FFAF C[C@H](n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583166 UCUCBNNOCVBQTQ-UVIMBBFXSA-N 351.362 2.965 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796232 SNRSDEGRJQWZGB-ZBVHDKTDSA-N 360.223 2.526 0 1 FFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 586949846 CRCFNRMKKPKGBO-UHFFFAOYSA-N 370.356 2.939 0 1 FFAF CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598142 WKEWIHZREIWMRZ-GSBBWLAPSA-N 367.401 2.586 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C)c(O)n1 587863122 RGOVZDSMFOZHHX-UHFFFAOYSA-N 351.288 2.766 0 1 FFAF COC(=O)C[C@@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962623787 KVROBKJRYACLJC-LHSJRXKWSA-N 370.449 2.782 0 1 FFAF CCn1ncc([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1C 963231847 ZZRJSPMFQZKKGX-AZUAARDMSA-N 350.422 2.622 0 1 FFAF COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1772646390 HUPMFKWQKDQLDA-SFHVURJKSA-N 367.380 2.661 0 1 FFAF COc1cc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)cc(OC)c1OC 5503067 MUPGULYIRYEJSB-UHFFFAOYSA-N 355.346 2.950 0 1 FFAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 13781267 QWXZXAJVNZLOLY-KRWDZBQOSA-N 374.481 2.944 0 1 FFAF COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 13972573 XJMMEKJKQHBMMQ-OAHLLOKOSA-N 351.443 2.890 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 15209460 QKXSRJAHTPTJNG-VXHVWZLPSA-N 368.514 2.916 0 1 FFAF endogenous,in-man C[C@H]1[C@@H](C)[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 100608089 UOZDCCIXXAQPLF-CUEBCQOZSA-N 370.449 2.673 0 1 FFAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1cc(F)c(F)cc1F 28638955 TWYGKUPLZKSOHO-AWEZNQCLSA-N 363.357 2.888 0 1 FFAF COCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccccc1 26575556 FVCKIIMWPGLEFX-UHFFFAOYSA-N 368.462 2.563 0 1 FFAF CC(C)(C)[S@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@H]1CCO 61943299 FDSKTHFLZUWLPV-WXTAPIANSA-N 374.506 2.598 0 3 FFAF O=C(Nc1cccnc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61930636 WFEJISJAWIIXTF-GOSISDBHSA-N 361.357 2.815 0 3 FFAF NC(=O)O[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccccc1 118070344 KMPZINBUQUOENH-GOSISDBHSA-N 354.454 2.820 0 1 FFAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H](OC(=O)[C@@H]2O)O1 2356464474 LHLNSAQPWLVQGX-ALCWZJMGSA-N 374.550 2.769 0 1 FFAF CCNC1CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 27889412 STEHUJAIFQTEEJ-UHFFFAOYSA-N 374.441 2.589 0 1 FFAF Cc1ccc2c(c1)c([C@@H]1NS(=O)(=O)c3ccccc31)c(C)n2CC(=O)O 49036098 RRSJWWGATDVVSQ-LJQANCHMSA-N 370.430 2.724 0 1 FFAF Cc1nc2cccc(-c3cc4n(n3)CCNC4=O)c2nc1NC(C)(C)C 222380176 WXHGHAQKEZKCNT-UHFFFAOYSA-N 350.426 2.756 0 1 FFAF CC[C@@H]1C[C@@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC3=O 238782485 QGCCNDHQOLDQGR-SMPSEYGHSA-N 352.434 2.782 0 1 FFAF Cc1noc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 146166260 OCCFWRRDRBBZBE-VAHXTSCQSA-N 366.393 2.691 0 1 FFAF Cc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 95578821 QZRKGRVSSOPKFF-UHFFFAOYSA-N 373.409 2.972 0 1 FFAF O=C(N1CCN(Cc2cccc(Cl)c2)CC1)n1nnc2ccccc21 95580143 QQCWAELFGXREHO-UHFFFAOYSA-N 355.829 2.871 0 1 FFAF O=C(c1ccn(Cn2cccn2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587876871 XUGVDZMRRODPDO-UHFFFAOYSA-N 350.313 2.382 0 1 FFAF N=c1nc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c(Cl)[nH]1 587127572 XLUXTQOHFFARNA-UHFFFAOYSA-N 369.694 2.861 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 587259869 NYYTYSHKGDAIGJ-LBPRGKRZSA-N 374.832 2.713 0 1 FFAF C[C@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589270 WVXOFBSSGDYPAL-VQIMIIECSA-N 353.330 2.750 0 1 FFAF COC(=O)Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21 13223241 WBGZGNSCXJSAJN-UHFFFAOYSA-N 352.268 2.848 0 1 FFAF COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3ccccc3o2)cc1 2928198 QXFFLLKCPABWFO-ZDUSSCGKSA-N 352.390 2.876 0 3 FFAF aggregator O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCCC1=CCCCC1 4035174 QTWHSFJGDQPLQY-UHFFFAOYSA-N 350.422 2.656 0 3 FFAF CCOc1ccc(CNC(=O)[C@@H](C)N2C(=O)COc3ccc(C)cc32)cc1 4676828 YTIOMAPQOZZTDC-OAHLLOKOSA-N 368.433 2.824 0 1 FFAF COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)c1ccccc1 103540528 MMLHKBMHIRNYSM-UHFFFAOYSA-N 368.414 2.922 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccc(F)cc3)ccnc21 27655759 WBEKXKJDHDOZRN-UHFFFAOYSA-N 361.376 2.950 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3cccnc3)ccnc2O1 61903146 KCUZCKVUGZPMJA-SFHVURJKSA-N 361.357 2.815 0 3 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@@]2(O)C[N@@]12 2356471527 YXDQYQYESXZUJA-WYGOVKJHSA-N 354.494 2.916 0 1 FFAF CO[C@@H]1Cc2c(cnn2C)C2(CCN(CCCc3ccccc3)CC2)O1 72117150 IABVZQVXXVPFEK-FQEVSTJZSA-N 355.482 2.889 0 1 FFAF CN[C@H]1CCc2cc(O)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 13434596 XUCTUYPXJOLWKI-AWEZNQCLSA-N 357.406 2.652 0 1 FFAF biogenic O=C1O[C@@H](O)C(c2ccc(C(=O)Nc3ccccc3)cc2)=C1Br 84688652 KASJRDOUXBGAAZ-MRXNPFEDSA-N 374.190 2.920 0 1 FFAF CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 40873343 SLWSWKGGZQCLDU-VGMXOEHZSA-N 373.449 2.846 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)co1 82074050 GSAJZXQPXVMELU-UHFFFAOYSA-N 373.453 2.605 0 1 FFAF CCCOC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 96270222 XPFQZUZEVIFWLX-UHFFFAOYSA-N 350.378 2.647 0 1 FFAF CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(O)cc1 95603994 AOUBBKGOMJMAOF-UHFFFAOYSA-N 368.393 2.653 0 1 FFAF Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc(F)cc2)n1 96271797 JZDSOBVWSSBOKM-UHFFFAOYSA-N 351.381 2.920 0 1 FFAF C[C@]12C[C@H](O)[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO 255262377 RHQQHZQUAMFINJ-VVJWOFIXSA-N 350.499 2.538 0 1 FFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(C(N)=O)cc3[nH]2)c[nH]1 587061224 ROYRLBQRJOYZFL-UHFFFAOYSA-N 364.796 2.852 0 1 FFAF COc1c(F)ccc(F)c1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587132381 DHBNWOHKHAHUGS-UHFFFAOYSA-N 367.377 2.767 0 1 FFAF O=C(O)COCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587562635 AJJBTUMKFLTMFS-UHFFFAOYSA-N 353.094 2.945 0 1 FFAF COC(=O)[C@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527184 RIBNHDCGDOIRAU-TZIWHRDSSA-N 355.434 2.537 0 1 FFAF CCc1cc(O)nc(SCc2nc3ccc(OCCN(C)C)cc3[nH]2)n1 586966211 BBJLLVNMGLWIPT-UHFFFAOYSA-N 373.482 2.854 0 1 FFAF COC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2n1 587080894 HBSRPLPQCULZPS-UHFFFAOYSA-N 358.785 2.999 0 1 FFAF COc1cc2c(cc1OC)[C@](CNC=O)(c1ccccc1)N(C)[C@@H](C)C2 962637256 WCVIAPWRHXHWBQ-BTYIYWSLSA-N 354.450 2.570 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@H]3[C@H]1C 169294541 ILXJSQQEACLYCI-QGEYUPPTSA-N 353.462 2.903 0 1 FFAF Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCCCC3)[C@@H]1O2 169323915 WKLHDLDHAUKCIH-FKBYEOEOSA-N 370.493 2.737 0 1 FFAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1N 206117431 VSNMUUOHBUNKOQ-UHFFFAOYSA-N 350.426 2.703 0 1 FFAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccnc1 201448468 PAPZASLKUUXXJX-HNNXBMFYSA-N 365.842 2.527 0 3 FFAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049515 KGMZEZVYHCEUSU-NVXWUHKLSA-N 362.788 2.679 0 1 FFAF Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@H]2CC(=O)CC(C)(C)O 2356405676 ALRKYRPHRIVAMM-UISBYWKRSA-N 366.410 2.788 0 1 FFAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1 28635535 SWGWTBOZTKJVHF-SIKLNZKXSA-N 365.477 2.643 0 1 FFAF O=C(c1ccccc1)[C@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 102988757 JCRNIQHNKNXICD-UTBUEMAESA-N 352.478 2.981 0 1 FFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@@H]([C@@H](C)OC)[C@@H]23 2356457309 LTOOPESWVADEAE-BTRZTINNSA-N 354.450 2.536 0 1 FFAF COc1cc(C(=O)c2ccc3c(ccn3CC(=O)O)c2)cc(OC)c1OC 28710801 RBBOPSBJGYHIQZ-UHFFFAOYSA-N 369.373 2.983 0 1 FFAF CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(C(C)C)s1 28827427 RUFBLSPSBYUDAO-WCQYABFASA-N 355.504 2.897 0 1 FFAF CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1O 61688113 OENBWNBKTIJDPI-UHFFFAOYSA-N 364.814 2.952 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@H]2CO)ccc1O 212122404 FHYQIQMSODIFCP-HGARYGRMSA-N 372.373 2.717 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=CCC[C@]32O 15162532 LKBDFALVRKSVEK-MQLHOLDLSA-N 358.390 2.678 0 1 FFAF biogenic O=C([C@@H]1CCc2c(Cl)cc(OCc3ccncc3)c(=O)n21)N1CCCC1 40917100 QRUWDEWDOUOFIM-INIZCTEOSA-N 373.840 2.585 0 1 FFAF CNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82131748 PAJLBJGDGAUTJN-INIZCTEOSA-N 368.437 2.859 0 1 FFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299874532 BNPBVBSGOADZPG-ZMSDIMECSA-N 362.813 2.912 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c1 586936260 OXFCKLMDQWVUER-UHFFFAOYSA-N 361.471 2.937 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn(C)c2=O)N1 587775549 SZXBMXCWKQPMOP-VFZGTOFNSA-N 351.219 2.911 0 1 FFAF CC1=C(c2ccc3nc(Cc4sc(C)nc4C)[nH]c3c2)NNC(=O)C1 587010756 ATTPOFQTZMZKGX-UHFFFAOYSA-N 353.451 2.983 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969387 DZUNGCYVRTZGKF-LAWZNORTSA-N 356.800 2.669 0 1 FFAF CN(C)CCc1c(Br)[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 13605882 PYGMMJMIGDWLCY-NSHDSACASA-N 366.259 2.685 0 1 FFAF CS(=O)(=O)c1n[nH]c(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)n1 1857637706 HPOVEOLCMSXUBO-UHFFFAOYSA-N 365.418 2.728 0 1 FFAF Cc1oc2c(c1C(=O)NCCCN(C)c1ccccc1)C1=NCCN1C=N2 100696567 SUSBIMMVIDHGFR-UHFFFAOYSA-N 365.437 2.580 0 1 FFAF N=C(N)c1ccc(Oc2ccc(N)c(Oc3ccc(C(=N)N)cc3)n2)cc1 103230530 WHMQDEXHDVPACY-UHFFFAOYSA-N 362.393 2.817 0 1 FFAF O=c1[nH]c(=O)c(Cc2ncccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1 101598411 FHWVHJREWMBQJT-WKILWMFISA-N 362.433 2.885 0 1 FFAF COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 58511723 OAUKJLMQNWFXRT-UHFFFAOYSA-N 366.208 2.652 0 1 FFAF O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 58575601 XPYKKHGTMREIEF-INIZCTEOSA-N 358.463 2.941 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 100986567 UOFDPOPBEANSNM-RDJZCZTQSA-N 374.396 2.951 0 1 FFAF CCOC(=O)CN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C1=O 26570847 CKDAXAPPJOLVCY-HUUCEWRRSA-N 374.437 2.620 0 1 FFAF COc1ccc2sc(N3CCNC[C@@H]3COc3cccnc3)nc2c1 114579448 SDUABLPTWFDAHS-CYBMUJFWSA-N 356.451 2.557 0 1 FFAF Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1 28711526 QXWBRFSVARVGTR-UHFFFAOYSA-N 372.196 2.921 0 1 FFAF C[C@@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1 64527117 WUMYVNAGGQHXJW-MRVPVSSYSA-N 374.655 2.611 0 1 FFAF CCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br 61944689 MEMOCDMVYWZIJT-CYBMUJFWSA-N 364.305 2.867 0 3 FFAF COc1cc2c(cc1OC)[C@H]1C[C@@H](N)[C@H](c3cc(C)ccn3)CN1CC2 34461890 XAYJELCFFHREMD-ZHALLVOQSA-N 353.466 2.821 0 1 FFAF Cn1cc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc2n1 71418556 KDEYNBKAOJCRCD-UHFFFAOYSA-N 351.337 2.774 0 1 FFAF CCCCCC(=O)C[C@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN12 14919647 RKTWGMYTKBSCLV-RTBURBONSA-N 363.546 2.805 0 1 FFAF biogenic CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC)cs1 82071848 OYKDFGZAUVNGBF-CQSZACIVSA-N 364.492 2.910 0 1 FFAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 82206624 CRWVVOLWEOSLIR-MRXNPFEDSA-N 374.460 2.715 0 1 FFAF CCOC(=O)CCCNC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C 263590676 HCUUTVNQJQYSSU-NNXHMXCWSA-N 352.475 2.707 0 3 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cccnc1 587585479 DZKZEEMJGGSTFW-UZLBHIALSA-N 363.325 2.729 0 1 FFAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587068726 CFMLUXJYYBPTON-LLVKDONJSA-N 365.842 2.748 0 1 FFAF CC1(C)OC(=O)C(c2nc3cc(Cl)cc(Br)c3[nH]2)=C1N 587254322 RCSNUIOSBRCCGE-UHFFFAOYSA-N 356.607 2.984 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCN1C(=O)c3ccccc3C1=O)O2 587389912 DPFSHFAXPSJGLT-LBPRGKRZSA-N 350.374 2.597 0 1 FFAF Cc1nc(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 587277062 XSLFFZJRSRCEOQ-UHFFFAOYSA-N 351.156 2.918 0 1 FFAF O=C(O)C/C=C1/Nc2sc3c(c2C(=O)N1C[C@@H]1CCCO1)CCCC3 958059154 RLERDTLWHOFJPM-ODYDIQAQSA-N 362.451 2.990 0 1 FFAF CCOC(=O)[C@]1(CC(=O)c2cccs2)NCCc2nc3ccccn3c21 962982707 JHDMCZFWCFUPHJ-LJQANCHMSA-N 369.446 2.573 0 1 FFAF COCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772615448 CNSXNBBFYUESHA-LLVKDONJSA-N 355.398 2.996 0 1 FFAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@@H]1CCCN1 1772602455 GTDOWKUTGWWIFA-MBSJSRAVSA-N 368.412 2.954 0 1 FFAF COCc1c(C(=O)NC2CCCC2)cnn1-c1nccc(-c2ccco2)n1 11996256 GZUIZWNXJNVVGE-UHFFFAOYSA-N 367.409 2.741 0 1 FFAF CCOC(=O)C[C@@H](CCc1cccc(C(=N)N)c1)c1ccc(C(=N)N)cc1 13776587 IVWHZXFNFUVNTJ-QGZVFWFLSA-N 366.465 2.924 0 1 FFAF C[C@H](CCc1ccccc1)N1C=N[C@H]2C(=O)NC(Cc3ccccc3)=N[C@@H]21 1857554385 BMJQYCDFXMASJJ-MAODMQOUSA-N 360.461 2.817 0 1 FFAF Oc1cccc(CCCNC[C@H](O)c2ccc(O)c3nc(O)ccc23)c1 1857571882 KRPZILIWVMUVCF-SFHVURJKSA-N 354.406 2.607 0 1 FFAF COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1857762246 WJUIQPFXOLJMRT-MRXNPFEDSA-N 372.377 2.519 0 1 FFAF CCOC(=O)c1ccc(Nc2cc(NC(=O)CCCC(=O)O)ncn2)cc1 1857770511 YSULEGHESGUMPH-UHFFFAOYSA-N 372.381 2.590 0 1 FFAF O[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2c[nH]c3ccccc23)C1 2356309754 KIUMXZBZDZTYKT-YJBOKZPZSA-N 361.405 2.921 0 1 FFAF CCOC(=O)[C@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 4058297 XECIQQVBKABCHR-HONMWMINSA-N 363.357 2.606 0 1 FFAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)N1CCOCC1 4208528 WZWQGNXLMJHEPV-NVXWUHKLSA-N 360.797 2.884 0 1 FFAF CCCCN(Cc1ccccc1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4564574 SZKGRJIVCQNTEH-TZRIAGMCSA-N 366.461 2.622 0 1 FFAF CCOc1ccc2nc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1 103252546 BVPMUIYAHGRSDO-UHFFFAOYSA-N 353.426 2.933 0 1 FFAF CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3nn(C)nc32)CC1 26404968 RFBJFKSGKFSZCA-UHFFFAOYSA-N 366.256 2.505 0 1 FFAF O=C(COc1ccccc1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356725380 NERNSLZNOXCIDI-MRXNPFEDSA-N 352.390 2.823 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CC[C@@H](O)[C@@](C)(O)CCC=C(CC1)C(=O)O2 2356823669 GNLWSSKGSXRXRI-LMCOJAPRSA-N 352.471 2.638 0 1 FFAF CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 218887654 OZKSTTVUQRWBIO-CYBMUJFWSA-N 372.429 2.851 0 1 FFAF FC(F)(F)c1cccc(-c2nnc3ccc(N[C@@H]4CCCNC4)nn23)c1 40955898 RZPHTCAOYGPVSZ-CYBMUJFWSA-N 362.359 2.974 0 1 FFAF CC(C)c1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231393 HAOWMRDZBCRGTM-ACJLOTCBSA-N 352.438 3.000 0 1 FFAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(NC2CNC2)o1 145437387 UVJRFPDIIZDNQE-UHFFFAOYSA-N 373.420 2.936 0 1 FFAF COC(=O)[C@H]1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3CC2=CC[C@H]1O 238734749 YNBUWOBJOATOHI-OWYHZJEWSA-N 352.434 2.567 0 1 FFAF C[C@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C 96283372 NZDONLCAMPFJHQ-NSHDSACASA-N 352.365 2.928 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 95894814 OIEGYFAFDUVRDN-ICTULHAWSA-N 370.493 2.701 0 1 FFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(F)cc3)cc2)CC1 96172298 WGLVPIRLBHQGOX-RTWAWAEBSA-N 367.468 2.712 0 1 FFAF CNc1cc([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1 299850838 WMMRGSWARIQLJL-AWEZNQCLSA-N 352.394 2.546 0 1 FFAF COCCN1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342940 HZGVDFWRDRWUGN-CTNGQTDRSA-N 371.408 2.981 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(C(C)=O)C1 587873281 XELWBGMOEXGJDY-OAHLLOKOSA-N 359.401 2.987 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(N)=O)c(O)nc1C)CC2=O 587470861 OXKLOXONBHWOFW-FQEVSTJZSA-N 370.405 2.733 0 1 FFAF CN1CCN(c2ccc3nc(-c4cc(=N)[nH]c5ccccc45)[nH]c3c2)CC1 587253434 IFOSAEICDMVOMD-UHFFFAOYSA-N 358.449 2.942 0 1 FFAF CCOC(=O)[C@@H]1[C@H]2C[C@]3(C[C@H]21)NCCc1cc2cccc(OC)c2nc13 963066054 LLRNSDTZNNNTRI-ICYRRTCNSA-N 352.434 2.804 0 1 FFAF COC(=O)c1cnc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962719500 ZJTNAFWAPNILMK-SGTLLEGYSA-N 373.453 2.855 0 1 FFAF CS(=O)(=O)N1CCC[C@H]1[C@H](O)Cn1c2ccccc2c2ccccc21 223897880 FWZDIPOPXIIHLD-RBUKOAKNSA-N 358.463 2.579 0 1 FFAF COc1ccc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642297 VHLUROMCVXTWNM-GCKMJXCFSA-N 372.417 2.799 0 1 FFAF endogenous,in-man COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3O)oc2c1 200748038 ZFTIFAORJLIOAA-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 3906381 GSFXYNUIKSNJHH-UHFFFAOYSA-N 350.421 2.789 0 1 FFAF CC1(C)Oc2ccc(Br)cc2[C@@H](n2ccccc2=O)[C@@H]1O 27557435 IYYZEHPVSXSEFW-CABCVRRESA-N 350.212 2.732 0 1 FFAF CCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccc(C(=O)NC)s1 23192383 DMOMQOVHEWVJQC-CYBMUJFWSA-N 360.483 2.620 0 1 FFAF CCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(Cl)cc1 27216322 MVQSTEWBOWTUPA-AWEZNQCLSA-N 354.834 2.610 0 1 FFAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccc(F)cc3)[C@H]1C2 73129271 NSAVQSFUFNJFAX-KSSFIOAISA-N 355.369 2.855 0 1 FFAF CCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 40568099 PCPVONZZCWSIEL-LJQANCHMSA-N 352.346 2.507 0 1 FFAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCc1ccccn1 82203558 GBPDQUNNNCDWTC-UHFFFAOYSA-N 366.513 2.899 0 1 FFAF O=C(c1ccc(OCCN2CCCC2)cc1)N1CC[C@H]2NCCCC[C@H]2C1 618017562 SNZPDZCQGRHXRS-PZJWPPBQSA-N 371.525 2.765 0 1 FFAF C[C@@H]1CC[C@]2(O)C(C)(C)CCC(=O)[C@]23C(=O)O[C@@H](c2ccoc2)C[C@]13O 85690475 DHVIVSFSRBQHPI-SWJKATBISA-N 362.422 2.535 0 1 FFAF biogenic COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587230491 HFEHEFNUPINLNU-RYUDHWBXSA-N 350.850 2.956 0 1 FFAF CC(=O)Cc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O 586990627 MIFRBLWTVLPDJV-UHFFFAOYSA-N 361.353 2.910 0 1 FFAF CCNC(=O)CCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587230079 HLWODUKFEZEKQH-UHFFFAOYSA-N 368.231 2.571 0 1 FFAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587176046 ZWIKXEXYQGFECW-ZDUSSCGKSA-N 374.397 2.673 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)O2 587385206 AOJNJHRJDMTHLZ-KBXCAEBGSA-N 350.390 2.870 0 1 FFAF COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC 587527648 XMTSWRUMNMVLLI-JIPZTSHUSA-N 372.417 2.642 0 1 FFAF CCOC(=O)[C@@H]1C(=O)c2cc(Cl)cnc2N(Cc2ccccc2)C1=O 957611445 GELKNRSRJPFGMO-CQSZACIVSA-N 358.781 2.644 0 1 FFAF COc1cccc([C@@H]2c3c(cnn3C)CCN2C)c1OCc1ccncc1 963956525 XVTWCKZBKOLYEQ-HXUWFJFHSA-N 364.449 2.980 0 1 FFAF CC(=O)OCc1csc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962898907 MVUPUAFAYGJZOA-YJBOKZPZSA-N 363.410 2.813 0 1 FFAF Cc1cn(C2CCN(Cc3cc4ccccc4cn3)CC2)c(=O)nc1O 1772657555 SNMMXDMWGQKJRT-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccco1)C(C)(C)C 13588281 VAACCYXFCGCYPX-CZUORRHYSA-N 352.431 2.647 0 1 FFAF CCCn1c(=O)c2c(nc3n2CC(CC)=C3)n(Cc2ccccc2)c1=O 13648043 VRCZHWKFFVQSEO-UHFFFAOYSA-N 350.422 2.625 0 1 FFAF COc1ccc2c(c1)CCN(C(=O)CNC[C@@H](C)O)[C@H]2C1CCCCC1 201361156 OEPVNHUUYBLDMV-VFNWGFHPSA-N 360.498 2.672 0 1 FFAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540595 FHISEKJSBMVBSC-CYBMUJFWSA-N 354.385 2.649 0 1 FFAF CCn1c(SC)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 929936 KLXFIRDCRNPZTB-UHFFFAOYSA-N 366.512 2.862 0 3 FFAF COc1cc(C=CC(=O)OC2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 2356446231 BXXJRMFWRQTPAC-XYPWUTKMSA-N 361.438 2.894 0 1 FFAF Cn1c(=O)cc(SCC(=O)N=c2[nH]c3ccccc3[nH]2)c2ccccc21 2456140 AHPBXOADKHEVBO-UHFFFAOYSA-N 364.430 2.568 0 1 FFAF CCOC(=O)c1sc(=S)n2c1nc(O)c1ccc(C(=O)OC)cc12 2956433 MNPGEMOOTPCDCU-UHFFFAOYSA-N 364.404 2.947 0 3 FFAF aggregator O=C(NC[C@@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 4903294 VGDDIIGMGNEWSS-FXAWDEMLSA-N 364.445 2.721 0 1 FFAF CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)[nH]n2c1=O 104040163 JQOCTTMTQYMONW-UHFFFAOYSA-N 355.394 2.502 0 3 FFAF CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 53276549 CPBGMRFHFZVCLS-UHFFFAOYSA-N 373.438 2.664 0 1 FFAF CC(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1Br 61908902 XBKTYYADCRZGPN-INIZCTEOSA-N 353.260 2.968 0 3 FFAF CC(=O)N1CCC(NC(=O)NC23CC4(F)CC(F)(CC(F)(C4)C2)C3)CC1 66076131 COTFKQGDXBVKAL-UHFFFAOYSA-N 373.419 2.542 0 1 FFAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2Br)C1 61926428 ORFIDHXZVNHMOI-INIZCTEOSA-N 353.260 2.828 0 3 FFAF O=C1c2[nH]ncc2[C@@H]2CCC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1 34891643 ODSMHUDVEWNHJT-QWHCGFSZSA-N 351.815 2.544 0 1 FFAF COC(=O)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1C[C@@H]2O 14612571 ZPOUUMSSFPBHFP-OALUTQOASA-N 363.417 2.538 0 1 FFAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3)[C@@H]1C2 72184191 DGYQFSRCYSJUTM-KDOFPFPSSA-N 353.447 2.881 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)co2)cc1 82070808 NKNJQKWDHPEIRO-HNNXBMFYSA-N 373.453 2.653 0 1 FFAF COc1cccc2c1N(C=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 238784434 UWQRGYQPHUFRMW-WLRLJWMZSA-N 354.450 2.674 0 1 FFAF Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 263590371 VQGVUJRERCSHCA-CVEARBPZSA-N 360.410 2.558 0 3 FFAF CN1CCN(c2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)CC1 586906312 KZPDRBLPSYUHEJ-UYRXBGFRSA-N 360.417 2.983 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178268 YGNDYYMYEBVRNX-UHFFFAOYSA-N 372.175 2.773 0 1 FFAF COC(=O)c1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2n1 586918403 YBJYOIXVNNORQG-XCLFUZPHSA-N 365.389 2.961 0 1 FFAF CCn1ncc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587433454 YKXJHCNRLYZSND-YPAJCOBSSA-N 367.449 2.938 0 1 FFAF CCOC(=O)C[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435528 GQRMYMMASOCJKZ-QRWLVFNGSA-N 353.374 2.686 0 1 FFAF C[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346173 LKMIQRYMXAJSFB-ZUNHGIIWSA-N 355.365 2.785 0 1 FFAF O=C(O)C/C=C1/Nc2sc3c(c2C(=O)N1C[C@H]1CCCO1)CCCC3 958059151 RLERDTLWHOFJPM-DKTFCQPKSA-N 362.451 2.990 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](C2=CNCCC2)(c2ccccc2)N1 962899134 OKSNBADKQZEEJJ-FPOVZHCZSA-N 352.409 2.936 0 1 FFAF Cc1c(F)ccc2c1[C@@](C)([C@@H]1C(=O)c3cccc4c3N(CC4)C1=O)NCC2 962095545 VADWTKSDNRSGFG-GCJKJVERSA-N 364.420 2.897 0 1 FFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc2ccccc2c1 1772571371 RRKZXCKNTLUYDB-KRWDZBQOSA-N 373.368 2.678 0 1 FFAF NS(=O)(=O)c1ccc(-c2nn3cc(-c4ccc(F)cc4)nc3s2)cc1 1772655640 FHGVCKLKQFMGFY-UHFFFAOYSA-N 374.422 2.911 0 1 FFAF CCCCNc1nc(N)nc(C)c1CCCN1C(=O)c2ccccc2C1=O 1772630832 VMDBQXAIUGAYHI-UHFFFAOYSA-N 367.453 2.808 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@H](C2)N(CC2CCC2)CC[C@@]341 169372827 LDVMINOGJBBSNA-PPGRFULXSA-N 365.473 2.960 0 1 FFAF NC(=O)c1cc2c(NC(=O)C34C[C@H]5C[C@@H](CC(N)(C5)C3)C4)cccc2[nH]1 1857632887 WGKDLQGKGXBCBV-MUUFFUEKSA-N 352.438 2.503 0 1 FFAF O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4823305 RIMRKDGYTXWJAT-JLUCKKNBSA-N 365.414 2.707 0 1 FFAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356407789 LCESTORIXPKFIW-QMXJLUMDSA-N 366.413 2.644 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356408942 TYPMTMPLTVSOBU-DKSSEZFCSA-N 352.434 2.963 0 1 FFAF N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O 27862501 YEIPENKZKGYLPU-DLBZAZTESA-N 372.428 2.841 0 1 FFAF S=C(NCCCNc1ccnc2cc(Cl)ccc12)N1CCOCC1 64436868 PHYGDOCSEDKQRX-UHFFFAOYSA-N 364.902 2.897 0 1 FFAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)OC(=O)CC[C@@H]12 26578473 FBFPQIUVRUBIRS-IPZZXCBHSA-N 364.438 2.941 0 1 FFAF CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)O)CC1 71927997 CLLSSYZSYXNTBX-UHFFFAOYSA-N 362.451 2.655 0 1 FFAF CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OC[C@H](COC=O)OC=O 40392813 QUPQPFMDZTULIE-LULHVWEPSA-N 364.331 2.527 0 1 FFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 82196056 JKSOTQMITMRZOY-UHFFFAOYSA-N 374.400 2.720 0 1 FFAF O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(C2CCCCC2)CC1 84731219 UZFUCLLTNNGIJF-SFHVURJKSA-N 373.472 2.576 0 1 FFAF COc1cc(OC)c(-c2coc3cc(O)cc(O)c3c2=O)c(OC)c1O 238742189 PBVMPAHKYVXSHF-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF CC(C)C[C@@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1C 96020529 PDXOMSGGDYFNEC-OAHLLOKOSA-N 370.540 2.667 0 3 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895015 FCQGTBRXXRMODJ-ZIIXWZJRSA-N 370.493 2.653 0 1 FFAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1 95921092 CSFKTRORRCGDRY-XLIONFOSSA-N 354.498 2.927 0 1 FFAF in-vitro C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@H]1O[C@]13C 523041550 KAKQJNJAIGSYIU-PBPBMPITSA-N 358.390 2.773 0 1 FFAF biogenic COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccn1 299838167 LTBYINCIVBRQNU-UHFFFAOYSA-N 350.758 2.504 0 1 FFAF CCn1nccc1Oc1cc(CCCC(C)(C)O)cnc1NC(=O)NC 299841340 ZHXUVGIMXPJNIU-UHFFFAOYSA-N 361.446 2.935 0 1 FFAF O=C1COc2cc3[nH]c(-c4ncc(Br)cc4F)nc3cc2N1 587156964 DZCUMOPOFWRZPI-UHFFFAOYSA-N 363.146 2.857 0 1 FFAF COc1ccc2c(c1)[C@](C)(CC(=O)Nc1nccc(C)n1)N[C@H]1CC[C@@H]21 962997676 RVTKLMFOUQOHQP-KNBMTAEXSA-N 352.438 2.887 0 1 FFAF O=C(O)C(=O)CC(=O)c1cc2cc3c(cc2n1Cc1ccccc1)OCO3 13584170 JAQLPQNQMKYYSA-UHFFFAOYSA-N 365.341 2.645 0 1 FFAF O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1 3906690 FXWAFDBZQUZABJ-UHFFFAOYSA-N 363.417 2.757 0 3 FFAF NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(CC2CNC2)c1 1911586194 ZSGMIQCURGKNHT-UHFFFAOYSA-N 370.833 2.681 0 1 FFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(F)c2)c1 114078561 ADHPVJPGQKBDKM-UHFFFAOYSA-N 353.401 2.595 0 1 FFAF Cc1cc(-c2ccccc2)cc(C)[n+]1Cc1ccc(S(N)(=O)=O)cc1 27989479 QCHONQLKYKFIRT-UHFFFAOYSA-N 353.467 2.954 0 1 FFAF O=C(Cc1cn2ccsc2n1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 20779642 DHDJFBCRFQIMMZ-INIZCTEOSA-N 359.426 2.548 0 1 FFAF COC(=O)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1[C@@H]2C(=O)OC 2356471366 UPYLNDNOLFMOTG-ALGWMNEGSA-N 374.433 2.981 0 1 FFAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@]21C 2356575657 VTJBUEPNESMAHX-WNUHAJRBSA-N 364.482 2.699 0 1 FFAF CCN(CC)CC(=O)N[C@H]1c2cc(OC)ccc2OCc2ncccc21 26830991 WPFOKSDUXZHRMO-HXUWFJFHSA-N 355.438 2.530 0 1 FFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 218807424 ZMIOQWILBZBCHW-SECBINFHSA-N 374.857 2.975 0 1 FFAF NC(=O)C1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72184448 KRQQFATWNLFZDV-INIZCTEOSA-N 364.371 2.782 0 1 FFAF Cc1cnc(N2CCCN(C)CC2)nc1NCCCN(C)c1ccccc1 82202652 VKXHISHGXKHQQB-UHFFFAOYSA-N 368.529 2.865 0 1 FFAF COC(=O)Cc1nnn2c1[C@H](C)[C@@H](OC)c1ccc(C(F)(F)F)cc1-2 138805688 SODTUGRRTYUAJR-VXJOIVPMSA-N 355.316 2.806 0 3 FFAF COC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587041944 QJHIUZFTEIGTPE-GJZGRUSLSA-N 354.435 2.691 0 1 FFAF CCOC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586962602 SPJPPGGKGQHCSD-MRVPVSSYSA-N 359.411 2.671 0 1 FFAF CCOC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792162 ARKWQCBIZCMAQX-FVMDXXJSSA-N 372.234 2.860 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(CCO)cc3[nH]2)CCC(=O)CC1 587234964 ZOVOHFMTYFHDKD-UHFFFAOYSA-N 373.453 2.961 0 1 FFAF CC[C@H](C)n1ncc(I)c1-c1nc2ncc[nH]c-2n1 587180303 GJWWUVHOBCUWRQ-ZETCQYMHSA-N 368.182 2.744 0 1 FFAF CCOc1cc(/C=C/c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1OC(F)F 587131187 WEXRRBQJYZMLQN-GQCTYLIASA-N 363.324 2.642 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CCCC[C@H]1S(C)(=O)=O)N(C)[C@@H](C)C2 962641570 SUVRJMYCMDGRPH-BKTGTZMESA-N 367.511 2.763 0 1 FFAF CC(C)C(=O)[C@@H]1C(=O)c2ccccc2[C@]12NCCc1c(C(=O)O)cccc12 963136168 YZNPWIMOYVZRBW-GCJKJVERSA-N 363.413 2.812 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(Sc4nc[nH]n4)o3)c3cccc1c32 963026120 NIHVJBLLXYHCDQ-BMLIUANNSA-N 367.434 2.692 0 1 FFAF C[C@H](O[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O)c1ccc2ccccc2c1 13582247 ZXUNQFXSGBYNQK-HHYUCLALSA-N 373.380 2.511 0 1 FFAF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1Cc1ccc(F)cc1 16041424 LBCQVWKQZHPGFT-LJQANCHMSA-N 363.392 2.603 0 1 FFAF biogenic CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 758521 TXTRGIUXMATJEY-WMZOPIPTSA-N 374.481 2.530 0 1 FFAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 4903286 VGDDIIGMGNEWSS-PXNSSMCTSA-N 364.445 2.721 0 1 FFAF COc1cc(CNc2ccnc(N)c2Br)cc(OC)c1O 27309343 XVMWLPYCVRGISX-UHFFFAOYSA-N 354.204 2.761 0 1 FFAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCN2CCNCC2)cc1 103148617 ZNNUIBCEOFWILM-FEGSXJMISA-N 353.554 2.919 0 1 FFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3ccccc3)cc2N1 60292678 PAZOXNQSXSODTC-KRWDZBQOSA-N 363.402 2.708 0 1 FFAF in-vitro C=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 64631678 WQKTTXBWMYTWTN-UHFFFAOYSA-N 350.279 2.806 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CC[C@@H]2CCCCN2C1 36093035 VTFNJDHZVZDGIG-OLZOCXBDSA-N 351.878 2.925 0 1 FFAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccccn2)C(=O)O1 40894755 AQBGEPKQGPTWMX-PRDNPTHXSA-N 361.438 2.903 0 1 FFAF COC(=O)[C@H]1CS[C@@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49035769 FVPMMSSRRBTXRI-MSOLQXFVSA-N 364.511 2.818 0 1 FFAF C[C@@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccccc1O 299828925 SMJRVISIMGPMFJ-FSGKZVOOSA-N 355.390 2.599 0 1 FFAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(N)=O)cc2[nH]1 586971882 ABBGIGSPPQEQQG-KRWDZBQOSA-N 368.462 2.772 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](C(=O)O)C2)N1 587827746 QKRPULPLFXEGNW-JFDMKLCPSA-N 370.218 2.772 0 1 FFAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)n1 587080060 QFYFPZGBDJKWSM-QMMMGPOBSA-N 353.835 2.698 0 1 FFAF CC[C@@]1(c2nc(C)c(S(N)(=O)=O)s2)NCCc2c1sc(C)c2C 963025577 ONORZWAZUXIMAV-OAHLLOKOSA-N 371.553 2.577 0 1 FFAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccnc3nccnc23)N1)C(F)(F)F 962773805 XVKWSKJZRPPVGO-UONOGXRCSA-N 358.323 2.760 0 1 FFAF Cc1ccc(CN(CCC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1 1772600560 XAKLJIGIKOUQMS-UHFFFAOYSA-N 371.389 2.868 0 1 FFAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1COc2c1ccc[n+]2[O-] 1772616815 BWSDZSHYAHYYLT-CYBMUJFWSA-N 353.205 2.728 0 1 FFAF COc1ccc(OC)c(SCc2cnc3nc(N)nc(N)c3c2C)c1 5891535 CHMGVFAMEMAJSZ-UHFFFAOYSA-N 357.439 2.807 0 1 FFAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)CCn2cncn2)C1 12297453 GRMPWWZIJGJWAO-AWEZNQCLSA-N 360.845 2.752 0 3 FFAF CC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(C)=O)nn3)C2)nn1 1857552450 YZELSSJQDSPNPP-KBPBESRZSA-N 354.414 2.625 0 1 FFAF COc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1OC 1857593133 WYAVAYNZNCKKGT-UHFFFAOYSA-N 350.378 2.771 0 1 FFAF CCCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216429 OVAQLCQYEGUAMX-RISCZKNCSA-N 354.838 2.995 0 1 FFAF CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O 61921365 QIPXBKYXTCUYCD-CYBMUJFWSA-N 356.332 2.644 0 3 FFAF CN1CCN(c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)C1=O 118396279 AFNQTAGIWFQNID-UHFFFAOYSA-N 366.826 2.980 0 1 FFAF CCN1C[C@@]2(C)CC[C@H](OC)[C@]34[C@H]2C[C@H]([C@@H]13)[C@@]12C[C@@H](OC)[C@H]3C[C@]41[C@H]2C3=O 2356520375 KTRDIFVAXQUGKI-GHXXIQBXSA-N 371.521 2.752 0 1 FFAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116825031 IWVIDALMACPDIX-RDTXWAMCSA-N 360.417 2.599 0 1 FFAF CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)[C@@H](NC)C4 27414201 OYIKPBIRVBYLLZ-FCRQHZQGSA-N 359.466 2.776 0 1 FFAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] 28861826 JNACFPPEAPAHCP-UHFFFAOYSA-N 358.659 2.603 0 1 FFAF CC(=O)C[C@H]1[C@H]2[C@H](C=C[C@@H]3C(=O)[C@H](C)C[C@H]23)C[C@H]2C[C@@H]3CC(=O)[C@@]21C(=O)O3 38495458 ZKSMHLMCOSXDEO-SZBVIKRBSA-N 370.445 2.520 0 1 FFAF CC[C@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035058 INJZOGFTQYTLTF-LBPRGKRZSA-N 373.356 2.767 0 1 FFAF CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2)CC1 82133340 HUJPWBLKOJKOMK-UHFFFAOYSA-N 366.465 2.852 0 1 FFAF CCOP(=O)(OCC)[C@H](O)c1cc2cc(OC)ccc2n2nnnc12 49053251 ZHYIIBYJIHBFCA-HNNXBMFYSA-N 366.314 2.543 0 1 FFAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 82141988 NFPQNUIGMNYVEP-GJZGRUSLSA-N 370.453 2.691 0 1 FFAF CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95874732 XYCHWFJUQDPBHN-FDFHNCONSA-N 365.477 2.520 0 1 FFAF CN(C)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144788307 SUERZZYAHNVIDL-QGZVFWFLSA-N 351.324 2.932 0 1 FFAF CC[C@@H]1C[C@@H]2N3CC(=O)c4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@@H]1C3 238772432 QLRCIBGKUAAWBR-SMPSEYGHSA-N 352.434 2.895 0 1 FFAF COc1cc(OC)c2c(c1)OC[C@@]1(Cc3ccc(OC)c(OC)c31)C2=O 238765824 JGJJZNQODHHEPB-HXUWFJFHSA-N 356.374 2.790 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC 299880146 LTQHZLOFQMWPTR-LSBZLQRGSA-N 372.421 2.657 0 1 FFAF O=C1c2ccccc2N/C(=C\Cl)N1Cc1ccc2c(O)nc(O)nc2n1 587368545 LEJZMEAJCVPFGG-NTUHNPAUSA-N 369.768 2.542 0 1 FFAF Fc1cc2nc(-c3nccnc3I)[nH]c2cc1F 587186842 WORKIZFLRCIAMS-UHFFFAOYSA-N 358.089 2.903 0 1 FFAF NCCOCCOCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587246750 VLNPOAZSUZXUGA-UHFFFAOYSA-N 351.756 2.770 0 1 FFAF C[C@@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590420 ZZPZROKAWUUMHN-LPHOPBHVSA-N 350.330 2.765 0 1 FFAF COc1ccc2c(C)c(CCc3nc4cc(=N)[nH]cc4[nH]3)c(=O)oc2c1C 586918826 QJHADMIRGHHIMC-UHFFFAOYSA-N 364.405 2.888 0 1 FFAF Nc1noc2ccc(-c3cnc4ccc(NC5CCOCC5)nn34)cc12 1772647325 ZITSHAKKKOZKNV-UHFFFAOYSA-N 350.382 2.711 0 1 FFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(F)cc1 1772582173 SGSLEIJBJQLIAQ-CQSZACIVSA-N 359.361 2.615 0 1 FFAF CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 1772622373 VXNUEIJSOPTQMH-UHFFFAOYSA-N 364.453 2.526 0 1 FFAF CC(=O)c1cc(NC(=O)c2ccccc2)ccc1OC[C@H](O)CNC(C)C 169334086 FPVSGOVVZFFCBQ-GOSISDBHSA-N 370.449 2.879 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 169714763 OWIREDZRBAQIRS-DOTOQJQBSA-N 359.378 2.600 0 1 FFAF Cc1cccc(NC(=O)c2ccnc(N3CCc4nc(N)ncc4C3)c2)c1 169710071 XIORHCKWGSPZIF-UHFFFAOYSA-N 360.421 2.577 0 1 FFAF COC(=O)c1c(Nc2ccc3ccccc3c2)c2nccnc2n(O)c1=O 1857634450 OBEOVQSCULJUBN-UHFFFAOYSA-N 362.345 2.712 0 1 FFAF Cc1cccc(N2CCN(CCCNC(=O)c3ccccn3)CC2)c1C 1857760487 BRLHGEZCPBFTMA-UHFFFAOYSA-N 352.482 2.641 0 1 FFAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(F)cc1)C(=O)O 13758244 IYXFYPRHMREYMA-QGZVFWFLSA-N 358.431 2.952 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]3C[C@@H]([C@](O)(CO)[C@H](O)CO)C[C@@]3(C)CC[C@H]12 2356337636 YYLNWEORJBWPMV-VGNQVZLZSA-N 354.531 2.722 0 1 FFAF CCc1nnc(S[C@H](CC)C(=O)NCCOC)c2cc3occc3n12 6894237 MSYQZQOETYQSKO-CQSZACIVSA-N 362.455 2.671 0 1 FFAF CC(C)(O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@@H]1O 100997032 KFBQRZHPKRMWKO-UNRHHUQTSA-N 371.521 2.828 0 1 FFAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CC[C@H](NC(=O)c3ccccc3)C1)C2 101505639 HBKRWXFJDGMODH-RCCFBDPRSA-N 371.481 2.643 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccccc2)=N1 27991657 AAUAVNGRJHAKQT-GDBMZVCRSA-N 360.369 2.643 0 1 FFAF C[C@@H]1C[C@H](O)C=CC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356437630 AAIKDNQBGRZMEM-GHMZBOCLSA-N 366.797 2.675 0 1 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)s1 27309564 GCRYUAABOLZAQH-JTQLQIEISA-N 371.418 2.504 0 1 FFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)ccc1O 2356455523 XRKOYXZGQNBIRK-CVEARBPZSA-N 370.401 2.746 0 1 FFAF Cn1cc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 219747622 RSAMXXSITAJXFV-OAQYLSRUSA-N 363.461 2.885 0 1 FFAF CC(C)(O)[C@H]1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1 13864657 FEZXFNWSKGIOKM-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82142985 FGSKQMJQMIVOGW-OKILXGFUSA-N 358.442 2.595 0 1 FFAF Nc1nc(C2CC2)nc2c1nnn2C[C@@H]1CCCN(Cc2ccccc2)C1 84690850 CDUYOUZHJFOBBX-OAHLLOKOSA-N 363.469 2.593 0 1 FFAF CC(C)(C)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146259547 BOEABVAKFNOHKB-CYBMUJFWSA-N 373.375 2.530 0 1 FFAF C[C@@H]1O[C@H](O)C[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 254080383 VNYPKNHJPZZNQO-MGHWNKPDSA-N 356.374 2.565 0 1 FFAF Cn1cnc2ccc(CNc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)cc21 473169802 OBIDPPHQNBXXLK-UHFFFAOYSA-N 360.425 2.741 0 1 FFAF COC(=O)c1cc2nc(-c3sc(Br)nc3C)[nH]c2cn1 587010949 JZXOIDHJTHXUTB-UHFFFAOYSA-N 353.201 2.939 0 1 FFAF O=C(NCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1cc2c(s1)CCC2 587033922 COYFTUUNJLWIBW-UHFFFAOYSA-N 359.382 2.880 0 1 FFAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(N)c(N)cc3[nH]2)cc1 587245651 WHWLAKGUEAHDSH-UHFFFAOYSA-N 362.393 2.867 0 1 FFAF N=c1[nH]cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)nc-2[nH]1 586961305 UKAJSPAFAPWION-SANMLTNESA-N 363.446 2.755 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCN(CCc3ccccc3)C2)N1 962899163 QLLGZEVPZZUZJE-PZJWPPBQSA-N 354.425 2.568 0 1 FFAF CCOc1ccc(C(=O)[C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963525364 MCBPDIVCIYOKLO-WMZOPIPTSA-N 355.390 2.622 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc2c(nc1O)CCOC2 963608357 KRBHHCCWDXGGLD-JEOXALJRSA-N 356.422 2.501 0 1 FFAF O=C1Nc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 1772579890 UAOAZHODUCLNFA-SQWSFHKJSA-N 373.412 2.971 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](Cc2ccccc2)O1 13517459 RIVVOSUHDSFWNP-XLIONFOSSA-N 373.449 2.656 0 1 FFAF CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc21 6380071 PASRTKOWXJDFFV-UHFFFAOYSA-N 359.405 2.956 0 1 FFAF in-vivo Cc1ccc2nc3n(c2c1)[C@H](CNCc1ccc(C(=O)O)cc1)COC3 2356298992 OUSZOYKQUGMMMV-MRXNPFEDSA-N 351.406 2.904 0 1 FFAF CCCCN(CCCN1CCOCC1)C(=O)NCCCc1ccncc1 58649863 DCFALKVCNRVVNH-UHFFFAOYSA-N 362.518 2.548 0 1 FFAF Cc1ccc2nc(N3CCN(c4ccccc4C)CC3)c3nnc(N)n3c2c1 103204494 RLFSNHZQTAPAEN-UHFFFAOYSA-N 373.464 2.803 0 1 FFAF Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3ccco3)c12 27993204 OBXNIAYZGVGZNG-UHFFFAOYSA-N 374.404 2.766 0 1 FFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1cccc(F)c1 61898580 ANTIGVYTIZFXGY-FQEVSTJZSA-N 370.380 2.840 0 3 FFAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccccc12 26507085 QZIFDEQGLULDTB-GOSISDBHSA-N 364.401 2.641 0 1 FFAF CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1 2356800754 REPYZBXULPHQIV-PMACEKPBSA-N 361.445 2.621 0 1 FFAF O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(F)nc2)nc1-3 72108989 PQIFLRBLEHCDKA-UHFFFAOYSA-N 361.380 2.590 0 1 FFAF COc1ccc([C@@H]2COc3c(cc(O)c(OC)c3OC)C2)c(O)c1OC 14437384 BYLATFGKENNWEF-NSHDSACASA-N 362.378 2.851 0 1 FFAF biogenic COc1cccc(-c2cccc([C@@]3(c4ccncc4)N=C(N)N(C)C3=O)c2)c1 34806435 PVTVKIDYHUXCHW-JOCHJYFZSA-N 372.428 2.788 0 1 FFAF O=C(CN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40403414 JUQHZESJMPFAAB-UHFFFAOYSA-N 361.511 2.882 0 1 FFAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2c[nH]nc2C1 40877197 MNBXINPRAIZJNI-OAQYLSRUSA-N 367.541 2.801 0 1 FFAF CC(C)CN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82139294 WNNIHLLIYGYISC-UHFFFAOYSA-N 372.444 2.847 0 1 FFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1 221130502 MOQPPMDZZVFJDJ-CMPLNLGQSA-N 373.442 2.735 0 1 FFAF CC(C)[C@@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 95593705 PFPRIUSIEYKHLZ-CYBMUJFWSA-N 355.446 2.975 0 1 FFAF CC1(C)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc3c2C[C@@H]1O 85601884 GUVOWHHQZUZCIH-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 586918065 WAIMVXFVMSRVDF-BMLIUANNSA-N 356.407 2.564 0 1 FFAF Cc1ccc(NC(=O)CSCCc2nc3cc(N)c(N)cc3[nH]2)cc1 586971119 USZHPVVGEKTXRL-UHFFFAOYSA-N 355.467 2.950 0 1 FFAF CCOC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593001 BQNFPZABOYRCCU-PXNSSMCTSA-N 372.373 2.692 0 1 FFAF COc1cc(Br)c([C@@H](N)c2nc3cnccc3[nH]2)cc1OC 586974628 FQDBJKRNVRIZTG-CQSZACIVSA-N 363.215 2.786 0 1 FFAF CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3cccc4c3c(c21)CC4 587211143 CQQUNCPKCCZJQN-FZKQIMNGSA-N 367.401 2.600 0 1 FFAF C[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343360 KGPGICRCVYRGFW-CTNGQTDRSA-N 371.408 2.981 0 1 FFAF CCOC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833404 GGMICZPRRRRPPI-QEKSWQHZSA-N 372.234 2.527 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(C)nn(C)c1C)CC2=O 587474672 GFKFBEVTJOMKET-IBGZPJMESA-N 358.394 2.640 0 1 FFAF COc1cc2c(cc1OC)[C@](CS(C)(=O)=O)(C(C)(C)C)N(C)[C@H](C)C2 962636080 VTRNHNPTRHYYGF-BFUOFWGJSA-N 369.527 2.866 0 1 FFAF Cn1c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccccc21 963238491 ZGUXHVPVHXLVEN-MJGOQNOKSA-N 358.401 2.810 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccncc2)[C@@H]1C(=O)c1ccco1 169687214 MSEMSKUBTMQJDJ-QZTJIDSGSA-N 360.369 2.826 0 1 FFAF CN1[C@H]2CC[C@H]1CC(OC(=O)n1c(=O)[nH]c3cc(C(F)(F)F)ccc31)C2 100649576 KDOHMAAVWRYCES-QWRGUYRKSA-N 369.343 2.958 0 1 FFAF O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1ccc(Cl)cn1 103536143 RLJPUDHAUYIUJU-UHFFFAOYSA-N 353.769 2.929 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632550 XGOQVTSRPAIGHL-LRDDRELGSA-N 353.447 2.755 0 1 FFAF O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@@H]1Cc2ccccc2[C@H]1O 219767545 FOYUBKLLRBTZJV-IUODEOHRSA-N 359.336 2.675 0 1 FFAF COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc(OC)c1O 116674415 VGQFRHUVMJNBDQ-UHFFFAOYSA-N 372.381 2.511 0 1 FFAF CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc21 68243806 DCHDOYXSTZNERE-UHFFFAOYSA-N 369.473 2.784 0 1 FFAF Cc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)oc1C 72474365 MIPHVHWTFOJVRS-KRWDZBQOSA-N 360.454 2.574 0 1 FFAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 36388125 QSWCVCUHMGWQAY-UHFFFAOYSA-N 374.444 2.880 0 3 FFAF CC(C)[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCOc1ccccc1 40822579 QPRBJPBXCVQMDL-INIZCTEOSA-N 363.454 2.755 0 1 FFAF NC(=O)c1cnc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)s1 49033097 OFOJQWGBHSVXQC-UHFFFAOYSA-N 370.400 2.583 0 1 FFAF Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3O)nn2c(=O)c1C 147357985 CUUYOURABRPFAR-INIZCTEOSA-N 366.421 2.712 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 253688966 LDVMINOGJBBSNA-VPTALWJNSA-N 365.473 2.960 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(O)cc1 299834689 CBIIEQMTQBHMFB-UHFFFAOYSA-N 365.769 2.815 0 1 FFAF Cc1csc([C@](O)(Cc2nc3ccc(C(=N)N)cc3[nH]2)C(F)(F)F)n1 587094235 NNCFFPDBKRZVBO-CQSZACIVSA-N 369.372 2.604 0 1 FFAF CC[C@]1([C@@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570890 JRCWYIUOUXQOIJ-LJHODMEESA-N 371.345 2.811 0 1 FFAF OCCc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085277 QCJBTJPPQIMZCX-UHFFFAOYSA-N 357.845 2.925 0 1 FFAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Br 586980439 ZFNWPXQWRJRSTP-UHFFFAOYSA-N 365.187 2.885 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn(C)c2=O)N1 587775547 SZXBMXCWKQPMOP-RFAUZJTJSA-N 351.219 2.911 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2ccnc(Br)c2[nH]1 587228136 GVNFXSQUTYVGNB-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(N)c(N)cc3[nH]2)C(F)(F)C1 587132484 QVCFPKMYWOSBIG-QMMMGPOBSA-N 353.373 2.697 0 1 FFAF CCOC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799656 TZXINRUJMZKLJY-FVMDXXJSSA-N 372.234 2.860 0 1 FFAF COCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869707 PLPIERVNBDECMP-UHFFFAOYSA-N 374.388 2.732 0 1 FFAF COc1ccc2c(c1)NCC[C@]21NCCc2ccc(C(=O)N(C)C)cc21 962929934 JMGMWUMBQVTFIJ-NRFANRHFSA-N 351.450 2.602 0 1 FFAF CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)NCCc2ccc(O)cc21 963343388 VIKOLFHBDZHJCO-FQEVSTJZSA-N 352.390 2.532 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C=CN(C(=O)OC(C)(C)C)CC1)NCC2 962927419 QYQPKVKGNPJDCU-OAQYLSRUSA-N 371.481 2.884 0 1 FFAF C[C@@]1(c2nc(Br)cs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962926638 YEDNAOUINRVRSD-IINYFYTJSA-N 371.231 2.907 0 1 FFAF O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)NCCc2cc(Cl)ccc21 963389839 DCEJENRRVKWHTC-FQEVSTJZSA-N 372.852 2.710 0 1 FFAF COC(=O)CNC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 14970894 YEQHGOHTBCXKKO-UHFFFAOYSA-N 359.470 2.547 0 1 FFAF O=S(=O)(c1ccccc1)C1([C@@H]2CC(c3ccccc3)=NO2)CC(O)C1 15974646 XKTNVGVXNUMLJC-OBONGRFPSA-N 357.431 2.547 0 3 FFAF CC1=NC(=O)N[C@H](c2ccco2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169729704 LEUBPLYBGDDPML-HZPDHXFCSA-N 356.334 2.593 0 1 FFAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)[C@H]1CCCO1 166548392 LFNGHUHRZHRAIZ-QGZVFWFLSA-N 352.394 2.747 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2)c(OC)c1 205217251 USAIWHVGZSMZRO-AEFFLSMTSA-N 370.380 2.718 0 3 FFAF Cc1ccc(S(=O)(=O)NCc2cc(-c3ccc4c(c3)OCO4)no2)cc1 1252259836 UADIBNIIAOMAPG-UHFFFAOYSA-N 372.402 2.857 0 1 FFAF COc1ccc(OC)c(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)c1 767456 VIMPDHVDMWXZES-OAQYLSRUSA-N 368.433 2.803 0 1 FFAF CCNc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCC 6385377 HSQURVGVQBXDCZ-UHFFFAOYSA-N 356.831 2.987 0 1 FFAF CCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O 103296215 JARANVSIBLDFLV-UHFFFAOYSA-N 356.382 2.714 0 1 FFAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2cccc(O)c2)c1 58581734 XHOIRZJBFPASOX-HXUWFJFHSA-N 360.413 2.886 0 1 FFAF O=C(Nc1cccc2ccccc12)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61926634 VWKOAFSNWKDCBY-YESZJQIVSA-N 370.430 2.732 0 3 FFAF NC(=O)[C@@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 66260110 MQZMOJGPULPIFR-QFBILLFUSA-N 350.447 2.728 0 1 FFAF CCNC(=S)NNc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O 40394544 STCHTYKGWPUGPU-UHFFFAOYSA-N 358.511 2.956 0 1 FFAF Cn1cccc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 141453761 ASSNRNYVOJRKCQ-UHFFFAOYSA-N 362.433 2.830 0 1 FFAF CN1C(=O)[C@H](NC(=O)Nc2ccccc2Cl)N(C)C(=O)c2ccccc21 95563513 LIUOFQFNDGJJCC-OAHLLOKOSA-N 372.812 2.536 0 1 FFAF CNC(=O)c1ccc2c(c1)OCCc1nc(-c3ncnn3C(C)C)sc1-2 96269668 ZQRWIFWSHGWCRI-UHFFFAOYSA-N 369.450 2.944 0 1 FFAF COc1ccc2c(c1)C[C@@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2 146486317 ZEZCZUQIVHQJHW-JOCHJYFZSA-N 365.429 2.926 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1nccn1C)CC2=O 587469294 CEGJFWIXRTZNSY-LJQANCHMSA-N 358.394 2.502 0 1 FFAF Cc1c(I)cnn1[C@H](C)c1nc2cccnc2[nH]1 587181920 ICXGSZQBVZVMEK-MRVPVSSYSA-N 353.167 2.677 0 1 FFAF CCN1C=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 587770515 CXLQMALXGQUWMJ-QLJPJBMISA-N 352.251 2.967 0 1 FFAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1OC 587599521 GJHQSDCKYBMYFC-YAJHFMINSA-N 356.374 2.916 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CO)on2)N1 587791062 FHQHSGMUWFBLEG-GLEZIHRCSA-N 355.207 2.866 0 1 FFAF O=C(O)[C@H]1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]1C(=O)O 587969793 AADWQNSUJJWJRW-PHZGNYQRSA-N 352.346 2.641 0 1 FFAF COc1cc2c3c(c1)O[C@](Cc1c[nH]c4ccccc14)(C(=O)O)[C@@H](C2)C3=O 587438672 PRNUQFWBIQIRLU-BTYIYWSLSA-N 363.369 2.990 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979626 SBCRMJZVVILUPW-UHFFFAOYSA-N 358.608 2.825 0 1 FFAF Cn1ccc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 963155866 ZIWWCSFYYVSRHT-OLZOCXBDSA-N 363.439 2.817 0 1 FFAF Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12595351 SRBLSEGUJMPYMD-GOSISDBHSA-N 374.529 2.846 0 3 FFAF OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 13589653 LWYCTJZMIZQNJL-UHFFFAOYSA-N 360.421 2.731 0 1 FFAF O=S(=O)(O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12 13815849 DAIIOCRLFAIQHA-UHFFFAOYSA-N 363.416 2.887 0 1 FFAF Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 169706067 SCCSYDABXJGYAW-UHFFFAOYSA-N 359.437 2.949 0 1 FFAF COc1cc(-c2cnc3c(N4CC5(COC5)C4)snc3c2)ccc1N 1857745206 ZJVZIASMSZSMOI-UHFFFAOYSA-N 354.435 2.786 0 1 FFAF Oc1cc2c(cc1[C@@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]31)OCO2 100827475 KQRXQIPRDKVZPW-RTFQWSFESA-N 370.357 2.925 0 1 FFAF endogenous,in-man CC(C)(CNC[C@H](O)c1ccc(O)c(C(N)=O)c1)Cc1ccc(F)cc1 27744637 JTKGSPFDPQZIBZ-SFHVURJKSA-N 360.429 2.522 0 1 FFAF NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@@H]4CCCNC4)cc3)nc2c1 28960147 AMTUNJZIRPFUCY-CYBMUJFWSA-N 350.422 2.707 0 1 FFAF CN(c1ccn(C)n1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118869824 ZJNITCLAIAJHPN-CYBMUJFWSA-N 356.401 2.592 0 1 FFAF CC(C)(O)[C@H]1Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@H]1O 2356539826 BEELJZPOZYDTHN-MOPGFXCFSA-N 354.358 2.731 0 1 FFAF O=C(c1ccccc1)c1c(C(F)F)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] 71318734 FNQRTGMGKVCSAI-UHFFFAOYSA-N 350.708 2.929 0 1 FFAF COC(=O)C1=C[C@@]23CC(C)=CC[C@@H]2[C@@]2(C)[C@@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 14691156 YCCFPGXRDHAKID-VAFQMUOOSA-N 360.450 2.781 0 1 FFAF biogenic COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)ccc1O 40402017 NHAOGCZSDZVMDC-HNNXBMFYSA-N 355.398 2.852 0 1 FFAF CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12 40395708 BJVCVIRGZHSCSW-QWHCGFSZSA-N 367.457 2.773 0 1 FFAF CCS(=O)(=O)NCc1cncc(-c2cc3ccc(Cl)nc3n2C)c1 140419745 UBIOLVNQWDPYRD-UHFFFAOYSA-N 364.858 2.728 0 1 FFAF NC(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)c2cncnc12 143725744 BFZFDHXTLIREOQ-UHFFFAOYSA-N 367.840 2.709 0 1 FFAF CCOC(=O)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352350 WZQITBWWPXEYHC-UZLBHIALSA-N 372.348 2.781 0 1 FFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(I)cnc2[nH]1 587961912 HETDWMRBXMNKEQ-SFYZADRCSA-N 355.179 2.720 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnn(CC)c1)CC2=O 587475012 JXYNPHZDQXUGLT-FQEVSTJZSA-N 372.421 2.985 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)cc1OC)[C@@H](C2)C3=O 587439738 CCERSIUQBLOWGR-XOBRGWDASA-N 370.357 2.656 0 1 FFAF COC(=O)c1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cn1 586904175 RIRIZRIOEXQGQE-UHFFFAOYSA-N 351.318 2.979 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CCOC)C(=O)C1)CC2=O 587479827 VBUPAQBLWAIVNI-FQEVSTJZSA-N 359.422 2.831 0 1 FFAF CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 584904904 BNTRGXQGSZZFCB-UHFFFAOYSA-N 357.410 2.608 0 1 FFAF in-vitro O[C@H](CO[C@H]1CCN(c2ccccc2)C1)CN1CCc2ccccc2C1 1772596243 NJJSVLOISQQQMO-VXKWHMMOSA-N 352.478 2.701 0 1 FFAF COC[C@@H](C)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12 169708369 NIKAZRDSCJIJHF-SECBINFHSA-N 373.438 2.651 0 1 FFAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccncc2)cc1 204754778 ZNBAKUMXRUMGCY-UHFFFAOYSA-N 368.418 2.838 0 3 FFAF O=c1n(-c2ccc(F)cc2)cc2nc(O)n(Cc3cccc(Cl)c3)n12 1857605194 RPUNGINRFCYZTC-UHFFFAOYSA-N 358.760 2.833 0 1 FFAF COc1ccc(F)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@H]1CCCO1 101444618 RMYJHKWCNASDMS-BRWVUGGUSA-N 362.445 2.739 0 1 FFAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 103284956 JNBTXWKHPDYFOE-QMMMGPOBSA-N 368.827 2.539 0 1 FFAF CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1cncc(Br)c1 61908875 VVLCQIXAYPNVHK-INIZCTEOSA-N 368.275 2.611 0 3 FFAF CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 63540334 LUPCHAFIKZSOOK-XUJVJEKNSA-N 373.482 2.565 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)C=CC[C@](C)(O)[C@@H](O)CC1 2356529468 HWHKBVPFJUPSOY-XEYPJELSSA-N 350.455 2.558 0 1 FFAF NC(=O)[C@]1(CCc2ccc(OCCCc3ccccc3)cc2)COC(=O)N1 73224740 KKUSDYHGFGILBP-NRFANRHFSA-N 368.433 2.595 0 1 FFAF COc1ccc(-c2nnc3c4ccccc4c(N(C)C[C@H](C)O)nn23)cc1 33891493 VADKWPFFHZWTCM-ZDUSSCGKSA-N 363.421 2.770 0 1 FFAF CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 78825638 NDYAXPIAEFCPMJ-JKSUJKDBSA-N 360.366 2.779 0 1 FFAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccco2)ccc1=O 25427117 MRTVJBFALYSYNT-KGLIPLIRSA-N 350.374 2.961 0 1 FFAF biogenic CC1(C)CC(=O)N(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O 96921979 YGULCSAVWWFRJG-UHFFFAOYSA-N 370.280 2.858 0 1 FFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2S(=O)(=O)[C@H]31 473094936 WVOZSPCORSJTPC-LJQANCHMSA-N 368.414 2.661 0 1 FFAF CS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@H]2c2cccs2)cc1 653801643 UBXHKZQUMOXKAS-ZDUSSCGKSA-N 350.421 2.544 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Nn3cccc32)N1 587770288 IGXGPBWFONACIW-XXFAHNHDSA-N 364.218 2.641 0 1 FFAF CCOc1n[nH]c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1Br 586979427 MFFIACDMCHCQNW-UHFFFAOYSA-N 369.150 2.952 0 1 FFAF O=S(=O)(Nc1ccccc1-c1nc2cncnc2[nH]1)c1ccc(F)cc1 587169955 GHEJKTVVLCXGJK-UHFFFAOYSA-N 369.381 2.960 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)cc1N)[C@@H](C2)C3=O 587433488 REDPBKOIUOJHOI-RNODOKPDSA-N 355.390 2.957 0 1 FFAF COC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353667 ZSAAHPUVNCJHIS-QUCCMNQESA-N 374.364 2.839 0 1 FFAF COc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Cl)c1O 587046618 YMAMAICCDDHEMM-UHFFFAOYSA-N 354.771 2.844 0 1 FFAF COc1ccc(-c2noc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)n2)cc1 962903409 XDNGLBJIGWTUJP-GOEBONIOSA-N 369.352 2.573 0 1 FFAF O=C([C@@H]1Cc2ccccc2[C@H](c2[nH]nc3ncc(F)cc23)N1)C(F)(F)F 962758993 AAGFRILRGRCPMA-QWHCGFSZSA-N 364.302 2.832 0 1 FFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1N 2493013 DLKXHOFIICXKTB-UQBMCXILSA-N 373.497 2.637 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@@H]3[C@H]1C 169294542 ILXJSQQEACLYCI-JZAUNCQTSA-N 353.462 2.903 0 1 FFAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(C)c(=O)n32)cc1 169717789 XOPAODYMIVJJNI-LJQANCHMSA-N 361.401 2.924 0 1 FFAF COc1ccc(CNC(=O)CCCN2C(=O)CSc3ncccc32)cc1 6802642 XZJSYEKOKATRPQ-UHFFFAOYSA-N 371.462 2.626 0 1 FFAF COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(C(F)(F)F)cc1 59722014 WIKYGSSBXDDJGE-BVUBDWEXSA-N 357.372 2.982 0 3 FFAF CC(=O)NC(C)(C)c1ccc(CN2CCN(c3nccs3)CC2)cc1 27985911 BEVMVBWSZGHGQT-UHFFFAOYSA-N 358.511 2.837 0 1 FFAF CCCCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 101770138 NOHMWZYUEOBMOP-HOTGVXAUSA-N 359.470 2.930 0 1 FFAF CCc1cc(/C=C/C(=O)O)ccc1NC(=O)c1cccc(NC(=N)N)c1 29246393 DMJMBJHEDODVMW-VQHVLOKHSA-N 352.394 2.904 0 1 FFAF CC=C1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356503342 FCUKPABXXVEFHR-LNLFQRSKSA-N 370.449 2.520 0 1 FFAF CO[C@@H]1C[C@H]2C(=O)Nc3ccc(C=Cc4ccc(O)cc4)cc3C(=O)N2C1 2356866312 WETZAQFCPOZUGP-APWZRJJASA-N 364.401 2.744 0 1 FFAF COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 6018933 DESORMZUMYIKSG-AWEZNQCLSA-N 353.374 2.728 0 1 FFAF biogenic CCc1ccccc1-c1cccc2c1cc(C(=O)NC[C@H](N)C(=O)O)n2C 43077741 NXEGCGFQDLAUJU-KRWDZBQOSA-N 365.433 2.549 0 1 FFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN)c2)cc1 199941534 CLPBYHRNHCSBMR-UHFFFAOYSA-N 370.478 2.963 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C\C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 238757441 OHMAVTDVTQMMMR-YLZXAWIXSA-N 350.411 2.714 0 1 FFAF O=c1[nH]c2ccc(OCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1 98083180 MAASWXCEGBTKQX-UHFFFAOYSA-N 372.856 2.711 0 1 FFAF COc1c2c(cc3c1OCO3)[C@]13C[C@H](OC)[C@H](OC)C=C1CCN3CCC2 85662443 QANHDQASCQVEMJ-MMOPVJDHSA-N 373.449 2.631 0 1 FFAF biogenic COc1c(C[C@H]2c3cc4c(cc3CCN2C)OCO4)ccc2c1OCO2 85996185 XKWJDLVBBYZLBF-HNNXBMFYSA-N 355.390 2.924 0 1 FFAF biogenic Clc1ncc2nc(C3CCN(c4nccnc4Cl)CC3)nc-2[nH]1 587085005 MFANSFYWIPHHAS-UHFFFAOYSA-N 350.213 2.785 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(N2CCOCC2)n1 587871604 AGUVDXLKCZJKOQ-UHFFFAOYSA-N 369.400 2.704 0 1 FFAF Cc1csc(COc2cc(=O)n3c(n2)COC[C@H]3Cc2ccccc2)n1 1772619286 MAHIHFKKDJNURQ-OAHLLOKOSA-N 369.446 2.901 0 1 FFAF COc1cc(C[C@H]2COc3cc(OC)c(OC)c(O)c3C2=O)ccc1O 13481961 HJLHSGBGURTWAR-NSHDSACASA-N 360.362 2.558 0 1 FFAF biogenic,in-vitro O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC[C@H](O)C1 13636711 DFBLBMAZODZWAV-KRWDZBQOSA-N 357.454 2.551 0 3 FFAF Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1 15935684 HXMUNIBCTUFUHZ-UHFFFAOYSA-N 366.446 2.810 0 3 FFAF CCOC(=O)[C@H]1CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2S1 163190548 SVVQSGWDHBABGN-MRXNPFEDSA-N 366.442 2.807 0 1 FFAF COc1cc(NCc2cc3ccc(C)cc3nc2O)ccc1-n1cnnn1 1857597131 BPKREDZWJFPBSA-UHFFFAOYSA-N 362.393 2.845 0 1 FFAF C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nnc(-n3cccn3)s2)CC1 1857611937 FDVRGUKZYCSFRL-DZGCQCFKSA-N 374.514 2.635 0 1 FFAF COc1cc([C@@H](O)CNC(=O)/C=C/c2ccccc2)cc(OC)c1OC 1857629545 WDYJMZVGLKPSLQ-SCOAYWHSSA-N 357.406 2.575 0 1 FFAF O=C(Nc1ccccc1)C1=CC2=N[C@@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 104008515 ONYXXGBVDIBREY-OCCSQVGLSA-N 350.344 2.841 0 3 FFAF COc1ccc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@H]32)OCO4)cc1OC 26851874 REJMVOGSTMMWHW-UPRAQXHNSA-N 369.373 2.532 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(OCCn2cnc3ccccc32)cc1 27559473 RORZNHPFFOHRHS-QGZVFWFLSA-N 369.465 2.853 0 1 FFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(-c3ccccc3)nn2)cc1 2356845926 OIVGIZBBWFUXOK-MXEMCNAFSA-N 363.417 2.869 0 1 FFAF COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1 66252088 OFLGSFKBBRGLOC-CHWSQXEVSA-N 359.207 2.690 0 1 FFAF Nc1scc2c(C(=O)O)nn(-c3ccc(C(F)(F)F)cc3)c(=O)c12 84703803 ZQTUIGHLOOWGOJ-UHFFFAOYSA-N 355.297 2.746 0 1 FFAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2cccnc2)C(=O)O1 40914989 AZRVQVNCYCMXGY-OTJDAXFFSA-N 361.438 2.903 0 1 FFAF COc1ccc(CNc2nc(N(C)C)nc(-c3ccco3)c2NC=O)cc1 49808404 KIWLKEULGKNZIC-UHFFFAOYSA-N 367.409 2.992 0 1 FFAF O=C(c1ccccc1)N1CC[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]21 199266661 RQQQVHLGTOJHIM-VQIMIIECSA-N 370.474 2.612 0 3 FFAF O=C(O)CCNC(=O)c1ncc2cc(-c3ccc(F)cc3)ccc2c1O 146754501 ITHBDAHRXIWOKN-UHFFFAOYSA-N 354.337 2.951 0 1 FFAF Cc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 140200345 ORTRUDBSDGMIIF-UHFFFAOYSA-N 370.416 2.963 0 1 FFAF CC1(C)O[C@@](C)([C@H]2CC3(CCN(c4ncccn4)CC3)CO2)CC[C@@H]1O 257263335 LPJWQSYXYINHIX-FRQCXROJSA-N 361.486 2.561 0 1 FFAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386852 MCPVFVNCFOVSMX-SGTLLEGYSA-N 354.406 2.797 0 1 FFAF Cn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N 587582592 QCFRBDJIWDZUJZ-BEFAXECRSA-N 351.362 2.585 0 1 FFAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)S(C)(=O)=O 587611011 YWUJRCPIUJFLOS-WMLDXEAASA-N 362.403 2.546 0 1 FFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(F)c(F)c3[nH]2)cc1 586931656 IDKQWSYNCPOKJN-UHFFFAOYSA-N 367.377 2.670 0 1 FFAF CCOC(=O)C[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595824 OQODWGZWMUFMFX-YLJYHZDGSA-N 372.373 2.692 0 1 FFAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cn1 587244052 AIYLGGSBDPNWFJ-UHFFFAOYSA-N 365.393 2.940 0 1 FFAF COC(=O)c1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cn1 587020573 BVOMYBKHKRYWNI-UHFFFAOYSA-N 351.391 2.948 0 1 FFAF CC1=C(c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)NNC(=O)C1 586886195 OPGPJIGCKZGPBS-ILXRZTDVSA-N 362.433 2.957 0 1 FFAF Cc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OCCO)c12 1772584881 XLDAXAHWSFDDRZ-LLVKDONJSA-N 355.398 2.520 0 1 FFAF CC(C)Oc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1772597036 ZQKOWVMSUCJGDZ-UHFFFAOYSA-N 361.405 2.917 0 1 FFAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2c(F)cccc12 13860788 LBKGISZTPYHDRI-UHFFFAOYSA-N 369.377 2.821 0 1 FFAF CCC(CC)CN1CCC(CN2C(=O)C(=O)NC[C@@H]2CC(C)C)CC1 169304577 LCSSCVJJWFCSET-SFHVURJKSA-N 351.535 2.508 0 3 FFAF CN1CCN(c2ccccc2NC(=O)n2sc3ccccc3c2=O)CC1 169311122 UDLCAAPHUXGYDD-UHFFFAOYSA-N 368.462 2.895 0 1 FFAF O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccncc2)CC1 165952844 WFNNPAWXPULWFF-UHFFFAOYSA-N 366.450 2.954 0 1 FFAF Cc1[nH]c(=N)[nH]c(=N)c1N1CCN(c2cccc(-c3ccccc3)c2)CC1 1857559413 XCEJQVGDPJMEOY-UHFFFAOYSA-N 360.465 2.604 0 1 FFAF CN1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857763245 AJRQPBATKOPIKJ-AWEZNQCLSA-N 359.376 2.801 0 1 FFAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(N)=O)cc3)nc1-2 1857768496 YNCSTIBFYMWKDB-UHFFFAOYSA-N 364.434 2.597 0 1 FFAF C=Cc1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC 27979567 VFUSMVWVIJFQPG-QFIPXVFZSA-N 374.396 2.723 0 1 FFAF Cc1cccc(Cn2[nH]c(C)c3nc(-c4c(C)nn(CCO)c4C)nc2-3)c1 103590294 SMOHWJKCFHUTBC-UHFFFAOYSA-N 364.453 2.849 0 1 FFAF O=C(Cc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12 27655844 OQAGMHKKUAQVOE-UHFFFAOYSA-N 356.385 2.775 0 1 FFAF Cc1cccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)c1 28521342 DNERHACXWBWXLT-UHFFFAOYSA-N 358.419 2.837 0 1 FFAF O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1 117727958 IAKWVQYWHFPJTJ-HNNXBMFYSA-N 365.355 2.691 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)O)C(C)C)cs2)c1 82082088 JRRWIUQHMJZATM-CQSZACIVSA-N 364.423 2.666 0 1 FFAF COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2 49052285 RCHABAVREUSBQI-UHFFFAOYSA-N 362.393 2.697 0 1 FFAF Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1 145851896 OYZOPWSFTNBMSA-UHFFFAOYSA-N 373.420 2.922 0 1 FFAF CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142959465 CJEZHYMNVHWABM-SNVBAGLBSA-N 356.348 2.825 0 1 FFAF C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CCC2=O 261494709 DTMWSKSAMRZGQH-NXKACYDGSA-N 366.435 2.999 0 1 FFAF endogenous,world COC(=O)C[C@@H]1Oc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C 299861432 LKEPJYDAGWEIRC-AWEZNQCLSA-N 351.358 2.818 0 1 FFAF O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccccc1 299847373 GAUKOIAUVRRGOI-SFHVURJKSA-N 374.488 2.640 0 1 FFAF Cc1[nH]c(/C=C2\C(=O)Nc3ncc(Br)cc32)c(C)c1C(=O)O 473249332 URNWAGUDWWKZGP-WMZJFQQLSA-N 362.183 2.980 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CCO)cc2[nH]1)C(C)C 586933354 QACLEKMPMJOSBA-MRXNPFEDSA-N 353.488 2.514 0 1 FFAF Cc1ccc(-n2ccnc2SCc2nc3c(O)nc(=N)[nH]c3[nH]2)c(C)c1 586967138 WYTYTNUCBYRXKL-UHFFFAOYSA-N 367.438 2.566 0 1 FFAF COc1ccc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(O)c2)cc1OC 587926520 IMCPQYYDSQJOCF-UHFFFAOYSA-N 363.377 2.992 0 1 FFAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586939433 OTQYJRBALSLWNG-ZETCQYMHSA-N 374.253 2.643 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCCc1ccccc1 587651042 ZXPPHHAYALEWFE-UHFFFAOYSA-N 356.447 2.852 0 1 FFAF COc1ccccc1CNC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650694 RJCYSZQQFDYVFQ-UHFFFAOYSA-N 372.446 2.818 0 1 FFAF O=C(O)c1cccc2c1CCN[C@]21C[C@@H](C(=O)O)Oc2ccc(Cl)cc21 963118259 BCWNAMWPYDGSSK-QFBILLFUSA-N 373.792 2.663 0 1 FFAF COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1 12356212 CLSKBBHRGMBREO-UHFFFAOYSA-N 366.465 2.529 0 1 FFAF CC(C)CCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O 13108293 FYGKCYFAPMDBQU-UHFFFAOYSA-N 353.488 2.559 0 3 FFAF CN1C(=O)C(NCCc2ccccc2)=C(c2cn(C)c3ccccc23)C1=O 1857554789 YDLDMSMAEOGQOF-UHFFFAOYSA-N 359.429 2.720 0 1 FFAF COc1cccc(CCCNC[C@H](O)c2ccc(O)c3nc(O)ccc23)c1 1857613770 UCSUEYUTYFUYAP-IBGZPJMESA-N 368.433 2.910 0 1 FFAF N=c1nc(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)[nH][nH]1 1857617938 RNAWZJCKLNMMPX-MRXNPFEDSA-N 360.893 2.547 0 1 FFAF NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2cccc3ccccc23)c1 1857766447 HVQIFPIBLPQECK-UHFFFAOYSA-N 357.391 2.837 0 1 FFAF Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1[18F] 101385037 CJTLKLBSIFQKNT-AWDFDDCISA-N 357.424 2.659 0 1 FFAF C[C@@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1CCc1ccccc1 61895764 SCUIEKPAEIQSBC-NRFANRHFSA-N 352.434 2.739 0 3 FFAF C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)CC1CCCC1 61908210 VTMBANFDELQMKB-HXUWFJFHSA-N 358.438 2.603 0 3 FFAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 2356660734 RPWOFAVQGNBGTB-BONLNXOASA-N 350.455 2.634 0 1 FFAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2c[nH]cn2)CC1 27986862 BUSUNAOPGCEGSR-UHFFFAOYSA-N 370.497 2.876 0 1 FFAF CC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218977636 ZODXTERUIKRCKD-YIFZBPKDSA-N 370.493 2.702 0 1 FFAF CCCCOP(=O)(OCCCC)On1c(=O)[nH]c2ccccc2c1=O 40504154 AUWKDKZSQKRRLU-UHFFFAOYSA-N 370.342 2.860 0 1 FFAF CCCCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)[C@H]1CCN1 148517815 KSHMXPLRJFLYJK-MSOLQXFVSA-N 351.535 2.986 0 1 FFAF C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@@H]1O[C@]13C 523041547 KAKQJNJAIGSYIU-FKEJVPIJSA-N 358.390 2.773 0 1 FFAF biogenic O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 299815654 WMTQJHVAIAVHRK-CCOGCMCPSA-N 367.449 2.610 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CSC[C@H]1C(=O)OCC)CC2=O 587496156 RXQIWHGZNDNZOT-SCLBCKFNSA-N 350.436 2.975 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587089640 FNBYXWIPWUPIKE-JTQLQIEISA-N 359.732 2.737 0 1 FFAF COC(=O)c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cn1 587165328 QSGFICVKLYFBFP-UHFFFAOYSA-N 351.341 2.795 0 1 FFAF Clc1c[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc-2n1 587085264 POMMWLSOTHMNDI-UHFFFAOYSA-N 350.213 2.785 0 1 FFAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)nc(S)nc2[nH]1 587080570 QRWDCPIQPYRUNY-SECBINFHSA-N 360.830 2.724 0 1 FFAF N[C@@H]1C[C@@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccc(F)cc21 963230133 LNIKKEWZMMOMBZ-YFVAEKQCSA-N 363.392 2.620 0 1 FFAF COc1ccc2c(c1OC)[C@H](c1c(C)nn(C)c1N(C)C)N(C)[C@@H](C)C2 962625377 DVINHWACVZKQIB-SGTLLEGYSA-N 358.486 2.778 0 1 FFAF COc1ccc(CN2C(=O)[C@@](O)(c3cccn3C)c3cc(F)ccc32)cc1 203473242 DXVGUGYGTMRAAV-NRFANRHFSA-N 366.392 2.956 0 3 FFAF Oc1ncnc2c(-n3cc(C4CCN(CC5CC5)CC4)cn3)nccc12 1857586742 XIMIJJARGYSDBU-UHFFFAOYSA-N 350.426 2.506 0 1 FFAF COc1ccc(-c2noc(C)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 774136 UGJUNPYJFNIBKR-KRWDZBQOSA-N 366.417 2.992 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)[C@H]1CC=C[C@H]32 2356400705 HKBMNOPNVQFUSG-XYYNDNLRSA-N 358.390 2.534 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCO 4055229 BUECXFFCUXXCOD-WMZOPIPTSA-N 374.824 2.549 0 1 FFAF O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 103282521 HOCKLGZDTABYEP-FXAWDEMLSA-N 353.418 2.930 0 1 FFAF CC(=O)Nc1ccc(C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)cc1 101498586 QFTHWYPEUHPDEL-GJZGRUSLSA-N 357.406 2.766 0 1 FFAF CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(/C(O)=C\C(=O)O)c2C1 103587158 ICXRSMFOBZJOEB-YAFRSCOQSA-N 360.362 2.654 0 1 FFAF biogenic,in-vitro COc1cccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1OC 115731277 KBIBUOHQQCOIMY-UHFFFAOYSA-N 370.409 2.735 0 1 FFAF O=C1CS(=O)(=O)Nc2cc(OCc3ccc4ccccc4n3)ccc21 40505929 AYFGPFPEBKQVCU-UHFFFAOYSA-N 354.387 2.752 0 1 FFAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccc2c(c1)OCO2 82203906 SVLLBAJQOLXVGZ-OKILXGFUSA-N 356.426 2.739 0 1 FFAF CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82224409 JAGFRQJTZKSUHO-INIZCTEOSA-N 356.470 2.893 0 1 FFAF Oc1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 136198513 KQRXQIPRDKVZPW-QCQDVHPSSA-N 370.357 2.925 0 1 FFAF endogenous,in-man COCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C 95556246 FBRFLDJTEDSGLT-UHFFFAOYSA-N 358.482 2.892 0 1 FFAF Cc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1Cc1ccccc1 653681793 DLEXJIPAUOBUGN-UHFFFAOYSA-N 356.389 2.860 0 1 FFAF COC(=O)c1cc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2cc1OC 587021575 MCCNFZPZLAYXHC-UHFFFAOYSA-N 369.406 2.882 0 1 FFAF CCOC(=O)[C@H]1CCc2ccncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587394537 HAPUMLPYHIPIPB-VFNWGFHPSA-N 366.417 2.958 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3cnc(Cl)[nH]c-3n2)CCC(O)CC1 587237776 WTVCYTWVCUMKOU-UHFFFAOYSA-N 367.837 2.613 0 1 FFAF CCOc1cc(C=O)c(OCC)n1-c1cnc(C)c(Br)n1 587939387 CXNHCIIXZAEBDD-UHFFFAOYSA-N 354.204 2.948 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@]1(CCCN1Cc1ccccc1)C3 587557913 MRXYUQYFMROEPL-NRFANRHFSA-N 362.433 2.960 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1cnc2ccccc2c1=O 587651595 WTQPUYXFPIDFRH-UHFFFAOYSA-N 353.403 2.579 0 1 FFAF CC(=O)[C@@H](C)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468827 IWQMMQGFNOIXBI-MPKWNAGQSA-N 353.418 2.768 0 1 FFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc2ccccc2c1 1772571373 RRKZXCKNTLUYDB-QGZVFWFLSA-N 373.368 2.678 0 1 FFAF COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 5041235 SQNVBHQZGNPWIE-KMUNFCNLSA-N 362.813 2.540 0 1 FFAF N=C(N)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 13739733 CZTOMIFGFRMSRW-FQEVSTJZSA-N 351.406 2.806 0 1 FFAF O=C(O)C[C@@](O)(CSCCc1ccc(Cl)cc1Cl)C(=O)O 13758079 FUWFIKKYXNAMBY-CYBMUJFWSA-N 353.223 2.560 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)O)[C@@H]1c1cccc(-n2ccnc2)c1 169714426 MQZFRYWEHQLENT-AEFFLSMTSA-N 367.405 2.968 0 1 FFAF O=C(Cc1nn[nH]n1)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 1857774553 PJNJBHVOSXGDNE-UHFFFAOYSA-N 363.406 2.566 0 1 FFAF Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1 146653678 NMGPOGZDVSQOCI-UHFFFAOYSA-N 360.417 2.826 0 1 FFAF CC(C)CCNC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@]1(C)O3 6921216 XUFADPDSIPSIQE-KSCDAYEDSA-N 368.477 2.521 0 1 FFAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 2356575655 VTJBUEPNESMAHX-HBBXOJGKSA-N 364.482 2.699 0 1 FFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(Cc3ccccn3)CCN21 2356728062 XSNJZAAKDQSPPK-HXUWFJFHSA-N 364.493 2.502 0 1 FFAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2O)cc1 14437232 LKUYAIMLLHBGMN-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1 198494392 PCGLIUCACABCNP-UHFFFAOYSA-N 355.419 2.822 0 1 FFAF Cc1nc2cccnc2n2c(-c3cc(OCCO)ccc3Cl)nnc12 145713096 MNZFNMJZWDCKKG-UHFFFAOYSA-N 355.785 2.672 0 1 FFAF CC[C@@]12CC(OC(C)=O)=C3Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 238733572 YBDIDQHYUBEDQR-RQXATKFSSA-N 352.434 2.780 0 1 FFAF COc1cc(OC)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O 238738061 IDMPXVKBMCVCBV-UXHICEINSA-N 372.373 2.936 0 1 FFAF CC1=C(C(N)=O)[C@H](c2ccco2)N2NC(SCc3ccccc3)=NC2=N1 473137223 WZHGAINSFCVMGF-HNNXBMFYSA-N 367.434 2.559 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)Oc2ccccc21 587489194 BGWGBAMXPTWAKO-IBGZPJMESA-N 374.414 2.928 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(F)CCOC2=O)N1 587719617 LKKCGZXOSZBLSD-KBOAJJQZSA-N 360.198 2.993 0 1 FFAF CCn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C 587275582 DQMTVPYGMVFLNG-UHFFFAOYSA-N 364.199 2.838 0 1 FFAF CNS(=O)(=O)Cc1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876268 QDDMUZKGTPUZST-UHFFFAOYSA-N 359.382 2.833 0 1 FFAF C[C@H](F)[C@@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587123892 KSAKOWKBHCBNJY-WVZVXSGGSA-N 354.554 2.574 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 586947707 BLEAUDNTBQLNEC-UHFFFAOYSA-N 351.819 2.823 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584317 ZQNKKYVLYDBPBH-YJBOKZPZSA-N 351.362 2.719 0 1 FFAF FC(F)c1c(-c2nc3cncc(Br)c3[nH]2)cnc2ncnn12 587127811 BHJNSQWNIDDCNR-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF CCOC(=O)CC[C@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587398324 DWJVNTBQYMWPLZ-LJQANCHMSA-N 363.410 2.578 0 1 FFAF CC(C)CC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 1772599400 XREXUEYFLJRYOD-SFHVURJKSA-N 370.497 2.782 0 1 FFAF CCc1nn([C@@H](C)C(=O)N2CCCCCC2)c(=O)c2cc3occc3n12 5149584 FXIVBIMMAUNKBN-ZDUSSCGKSA-N 356.426 2.768 0 1 FFAF Cc1cnccc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12434473 LOZWPTINEYIAIO-GOSISDBHSA-N 369.440 2.926 0 3 FFAF N=C(N)Nc1ccc([C@H]2CC(=O)O/C(=C/I)C2)cc1 13651067 COQHRXZDELUWKF-MXFUOJGSSA-N 371.178 2.689 0 1 FFAF CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21 14976536 WOKQDEAOXMNEFH-LJQANCHMSA-N 354.793 2.513 0 1 FFAF Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCOCC2)o1 19897386 VXPWPEJCDWXCFI-SFHVURJKSA-N 353.422 2.598 0 1 FFAF CNc1nc(Nc2ccc(S(C)(=O)=O)cc2OCCF)ncc1Cl 205927123 APLNOTQKAPXFAR-UHFFFAOYSA-N 374.825 2.667 0 1 FFAF Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(=NCCO)[nH]1 1857548498 ZEQRQXRPMGQNBI-UHFFFAOYSA-N 360.464 2.653 0 1 FFAF Cc1[nH]c(=N)[nH]c1-c1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1 1857571352 ZRXJLMPTXLDCLV-UHFFFAOYSA-N 352.419 2.989 0 1 FFAF CCS[C@@H]1C[C@@H](c2ccc(C)cc2)N(S(C)(=O)=O)C[C@H]1C(=O)O 1857619054 PBUMPCYURHWWFU-QLFBSQMISA-N 357.497 2.524 0 1 FFAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(C)nc4)cccn3[nH]1)C2 1857751813 MSECXZDYGYTFKC-KRWDZBQOSA-N 373.464 2.707 0 1 FFAF CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1 806140 BWUBTNYVVCBXHZ-UHFFFAOYSA-N 352.481 2.709 0 3 FFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2c(ccc(C)c2C)OC1 1911574026 HRNUALJWKUFWAA-OAHLLOKOSA-N 364.781 2.645 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)c2ccccc2)CC[C@]1(C)O 2356288634 IFPSLPNCXWJTBQ-SBHAEUEKSA-N 352.434 2.530 0 1 FFAF O=C(O)CCc1ccccc1C[C@H]1[C@H]2CC[C@H](O2)[C@@H]1c1nc(CO)co1 29213610 CVGQJRKPOPBTLN-MJQMVNBJSA-N 357.406 2.688 0 1 FFAF O=C(C[C@H]1C(=O)OC[C@@H]2CCCCN21)Nc1ccccc1C(F)(F)F 59866953 NWFBQPPWHUJOKI-FZMZJTMJSA-N 356.344 2.814 0 3 FFAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1N1CCOCC1 28119394 MTHXCMQZZFMNNG-HXUWFJFHSA-N 368.433 2.864 0 1 FFAF CCO[C@@H]1CO[C@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@@H](OC)C[C@@]12C 2356504395 PTLYLXSSWBSQTJ-FXKGBPRXSA-N 358.475 2.783 0 1 FFAF CCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@H]1C 2356663675 QJUKURZOKSVYNB-RUKSUOCASA-N 366.454 2.691 0 1 FFAF COc1ccccc1-c1cn2c(n1)CO[C@H](CNCc1cccnc1)C2 2356733353 QFFDPDOPSAYZKE-MRXNPFEDSA-N 350.422 2.642 0 1 FFAF Cc1ccccc1Nc1nc(NC(C)(C)C)nc(N2C[C@@H]3C[C@H]2CN3)n1 32523834 IDCDMFSGFJEZAY-KBPBESRZSA-N 353.474 2.685 0 1 FFAF CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N 71295833 BGGCZORPGAXQJX-UHFFFAOYSA-N 370.384 2.785 0 1 FFAF Nc1nc2ccccc2nc1C(=O)NC1CCN(Cc2ccccc2)CC1 82155056 KDKUGWOQDWQSRF-UHFFFAOYSA-N 361.449 2.606 0 1 FFAF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1ccc(Cl)cc1 84714435 BFLLGIVLLHKCGV-UHFFFAOYSA-N 360.845 2.869 0 1 FFAF COc1ccc(/C=C2/C[C@@](CO)(COC(=O)c3ccccc3)OC2=O)cc1 40865058 JGUCWMOFEHLOIZ-DGJFXRHUSA-N 368.385 2.614 0 1 FFAF CN1CCN(C2=Nc3ccccc3[C@H](CC(=O)O)N2c2ccccc2)CC1 84410030 FZTNNQMGBAILQG-IBGZPJMESA-N 364.449 2.958 0 1 FFAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N1CCCC1 145959531 RDNPZJNRANZTQK-CYBMUJFWSA-N 369.421 2.584 0 1 FFAF O=C(c1cncc(F)c1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273572 HOTVFJCXEBPMNH-WOJBJXKFSA-N 354.425 2.644 0 1 FFAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F 587169274 AJIJDYOGHCKAFU-UHFFFAOYSA-N 367.377 2.670 0 1 FFAF COC(=O)Cc1c(C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587106803 OFIVWLVQSVHDNV-UHFFFAOYSA-N 361.353 2.948 0 1 FFAF Cc1c(-c2nc3cc(C(=N)N)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029697 SGZJARFQACDOGF-UHFFFAOYSA-N 364.434 2.997 0 1 FFAF COc1ncnc(N)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745388 JPNNSOXWCZPWOA-FUXBKTLASA-N 367.222 2.593 0 1 FFAF COC(=O)[C@H](C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O 587394624 JDYANHGOOBUDOY-KXBFYZLASA-N 369.377 2.531 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126648 DLSAFESROKDYMB-UHFFFAOYSA-N 368.300 2.789 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccnc4[nH]3)CC2)cc1 586954222 DQAYVNPHTRQXEE-UHFFFAOYSA-N 356.451 2.835 0 1 FFAF O=C(NCc1cccc(Cl)c1)[C@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957599326 ZDOLJFGQXOZRDI-MRXNPFEDSA-N 368.820 2.748 0 1 FFAF C[C@@]1(c2ccc(C(N)=O)s2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962702534 AUMVQFGWXRZOHC-BDJLRTHQSA-N 368.380 2.756 0 1 FFAF O=C1COC(CN2CCCC2)=C[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963108129 KTTGRKCMANOZTB-UTKZUKDTSA-N 356.441 2.621 0 1 FFAF COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1 5034682 BKBHPPSDMMWLGC-UHFFFAOYSA-N 373.434 2.528 0 3 FFAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1 15941909 GKQUNVHHSRCHOT-BETUJISGSA-N 350.484 2.607 0 3 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@H](C)CC[C@@H]2C1 169366476 IIRJNAAFTIUJOX-RWMBFGLXSA-N 351.878 2.924 0 1 FFAF Cc1cccc(N(CC(N)=O)c2sc(=O)n(-c3ccccc3)c2O)c1 169689666 WAMHTCGNNHWWHR-UHFFFAOYSA-N 355.419 2.536 0 1 FFAF Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2c[n+]1[O-] 169700122 CKFKKGDOSWBOHE-JSGCOSHPSA-N 356.332 2.674 0 1 FFAF CN(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1 166769753 MVNLDZPCMZPIFW-UHFFFAOYSA-N 362.393 2.805 0 1 FFAF CCOc1ccc2c(c1)cc(CN(C(C)=O)C1CCCC1)c1nnnn12 1367241 PUMXAFYAGGDZML-UHFFFAOYSA-N 353.426 2.967 0 1 FFAF C[C@@H]1C[C@@H](O)[C@@H](C=CC=Cc2cc3c(Cl)c(O)cc(O)c3c(=O)o2)O1 2356348991 OQCHWPMKMLHBAH-DDHOLCJHSA-N 364.781 2.965 0 1 FFAF CC1(C)C(=O)c2ccc(Br)cc2[C@]2(c3cccc[n+]3[O-])O[C@@H]12 100022178 UWANTPICMNHWNE-DOTOQJQBSA-N 360.207 2.947 0 1 FFAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2CO)c1 2356774106 QXMSVIXIQRDNOM-LPHOPBHVSA-N 372.373 2.717 0 1 FFAF Cc1nn(Cc2ccccc2)c(=O)c2nnn3nc(-c4ccccc4)cc3c12 64447665 PLLAZQGXPJPXTC-UHFFFAOYSA-N 368.400 2.858 0 1 FFAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@@H]31 36378290 DJBZJHHPGHHHCA-GDIGMMSISA-N 364.449 2.938 0 3 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c(OC)c1 74377951 VTTPFYFIAXNGRG-PKOBYXMFSA-N 366.417 2.887 0 3 FFAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C#N)c4)ccc23)cn1 221615787 WQWZJYQRQKROKC-UHFFFAOYSA-N 368.400 2.592 0 1 FFAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 82212157 IBTBZWOSXDJRHB-ZDUSSCGKSA-N 358.442 2.588 0 1 FFAF C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccccc1O 230587822 SMJRVISIMGPMFJ-VYJAJWGXSA-N 355.390 2.599 0 1 FFAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 95559063 BCZPRYJTVRIOOL-UHFFFAOYSA-N 366.805 2.920 0 1 FFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43 140173675 IKGCNOXJYOBUNZ-BRKWEVRTSA-N 370.493 2.786 0 1 FFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893456 HFPOQAGPQUDQGY-XUVXKRRUSA-N 357.498 2.945 0 1 FFAF CC(=O)[C@H]1C[C@@H](O)[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255280974 XNAJGYZYRDOIBO-RMBLUHIQSA-N 350.499 2.537 0 1 FFAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261116523 IWVIDALMACPDIX-KDOFPFPSSA-N 360.417 2.599 0 1 FFAF C=CS(=O)(=O)N1CCN(c2ccc(Br)cc2)C(C)(C)C1 618020257 SFTXBTCZDKLGGC-UHFFFAOYSA-N 359.289 2.823 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC(C(=O)O)=C2)N1 587832292 JLAKHUUSBSAQFO-AYVTZFPOSA-N 354.175 2.830 0 1 FFAF COC(=O)Nc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cn1 587245065 NFOWQXRLZFKYSL-UHFFFAOYSA-N 367.409 2.635 0 1 FFAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587938638 XZESQTOAUZOLST-PIGZYNQJSA-N 360.435 2.812 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncc(OC)c3[nH]2)c1 586929829 AZKJNSXWCFOYJS-UHFFFAOYSA-N 360.439 2.664 0 1 FFAF CCCn1nc(C)cc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225261 JJBCNIZPLHASGT-PKOBYXMFSA-N 350.422 2.838 0 1 FFAF CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5973273 KJYIVXDPWBUJBQ-SOGWKEBJSA-N 368.470 2.978 0 1 FFAF endogenous,in-man C[C@H]1C(=O)CCCCCCCCC[C@H]2[C@@]1(N1CCOCC1)CS2(=O)=O 13143516 SHVUHSCYXGXOEY-YTQUADARSA-N 371.543 2.584 0 1 FFAF CCCn1c(=O)c2c(nc3[nH]c(C(C)C)cn32)n(Cc2ccccc2)c1=O 13648062 ASWLMOCIKJHRAO-UHFFFAOYSA-N 365.437 2.721 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64453638 FDDPSZVKVPUOOD-WWMYMODYSA-N 359.385 2.868 0 1 FFAF COc1ccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2)cc1OC 61906282 OANBTUBNZWMEMC-NRFANRHFSA-N 368.433 2.876 0 3 FFAF Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccn3)nn12 213528543 RRZAYHURVOLLEP-UHFFFAOYSA-N 364.413 2.841 0 1 FFAF CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 37539133 GFEUNVMURRUASI-ZPYPVQIUSA-N 354.450 2.961 0 1 FFAF CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 38930024 DGWKVXVCPCPOAK-UHFFFAOYSA-N 352.438 2.582 0 1 FFAF CCc1c(Cc2ccccc2)c(=O)n(O)c(=O)n1COCc1ccccc1 71317572 LHRXGOHOVUMCRU-UHFFFAOYSA-N 366.417 2.575 0 1 FFAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCCN(C)CC3)ncc2C)C1 82202642 HQXBZMKDVKZPAU-RCCFBDPRSA-N 361.534 2.933 0 1 FFAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N3CCCC3)n2)cc1 82066891 QJURGHBWAXAIBP-MRXNPFEDSA-N 371.441 2.864 0 1 FFAF CCCS(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 40617321 OBCXJZGSGOHHIL-UHFFFAOYSA-N 357.431 2.939 0 1 FFAF CCCc1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142074150 BURWGDGQWDXWKN-VXGBXAGGSA-N 360.418 2.966 0 1 FFAF O=P(O)(O)C(Nc1ccc(Oc2ccccc2)cc1)P(=O)(O)O 96286203 GPHBFHLZRQMFLJ-UHFFFAOYSA-N 359.211 2.530 0 1 FFAF Oc1cc2c(cc1[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 96014960 KQRXQIPRDKVZPW-ICCDWZQGSA-N 370.357 2.925 0 1 FFAF endogenous,in-man NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1 96901581 SUSBDOQEFZSXTE-UHFFFAOYSA-N 374.369 2.662 0 1 FFAF CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 621435215 LUSKQLSWTWCLES-CIRFHOKZSA-N 366.527 2.993 0 1 FFAF O=c1c2cc(F)ccc2nc(S)n1NC(=S)Nc1cccc(F)c1 653787402 JONTYXHFWRFCMP-UHFFFAOYSA-N 364.402 2.904 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O 587440043 NMXRHNSSUDIZOX-RBZFPXEDSA-N 351.358 2.689 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2ccc(Cl)nc2[nH]1 587566597 VERQHFZVNJIHIY-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF NS(=O)(=O)c1cccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c12 586877861 SOJCTDLBVQCRKS-UHFFFAOYSA-N 369.446 2.640 0 1 FFAF CCOc1n[nH]c(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1Cl 587065663 WPJJKDKZOPYLLT-UHFFFAOYSA-N 350.762 2.800 0 1 FFAF CCOC(=O)[C@H](Cc1cccc(C)c1)c1ccc2c(O)nc(O)nc2n1 587559784 OBFSYXHFQCZNMA-CQSZACIVSA-N 353.378 2.634 0 1 FFAF COc1cncc2nc(-c3cncc(I)c3)[nH]c12 587184109 DZBYEWASNFOEHG-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](O)C(=O)c1ccccc12 587533974 SZMBQNAJKYHUMY-KNQAVFIVSA-N 362.381 2.552 0 1 FFAF Nc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 587143981 GSHAGIXUUOROHB-LLVKDONJSA-N 350.195 2.684 0 1 FFAF NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1772607967 VUXQRANDPGSPRS-QOZQEUDZSA-N 362.521 2.990 0 1 FFAF Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 13560118 GUUIENZLFCYGEL-UHFFFAOYSA-N 369.509 2.826 0 1 FFAF CC(C)[C@H](C)Nc1nc2ccc(I)cc2c(=O)[nH]1 13863545 SKAULBOSOAEUDA-QMMMGPOBSA-N 357.195 2.984 0 1 FFAF NC1=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]2c2ccccc2O1 206392391 OWAHPOKTKBOPFY-MRXNPFEDSA-N 373.412 2.816 0 3 FFAF COc1cc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)cc(OC)c1OC 1369739 DPZUOKSTXUEZST-IAGOWNOFSA-N 374.481 2.990 0 1 FFAF CCN(CC)CCCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 3631741 CBSRTCJXRPWSEA-OAQYLSRUSA-N 358.482 2.847 0 1 FFAF Cc1nn([C@@H](C)C(=O)NC[C@H]2CCCO2)c(=O)c2c1sc1ccccc12 6799122 VYEJWWWSHYWHOZ-QWHCGFSZSA-N 371.462 2.776 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)[C@@H]1CC=C[C@H]32 2356400704 HKBMNOPNVQFUSG-NJQZYEBPSA-N 358.390 2.534 0 1 FFAF O=C(O)CCCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 28756270 ATLVGYXVTSMMQV-UHFFFAOYSA-N 359.470 2.936 0 1 FFAF O=C1Nc2ccccc2[C@]12CCCN(Cc1ccc3c(c1)OCCO3)C2 72167247 VANFIIOTTIHGQR-OAQYLSRUSA-N 350.418 2.944 0 1 FFAF CCCn1nnnc1COC(=O)c1ccccc1C(=O)c1ccccc1 7097005 UHUSDEOGQPAGOO-UHFFFAOYSA-N 350.378 2.671 0 1 FFAF biogenic COc1cc(C)c2c(c1C)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O 14514507 PGRWVCGZKIXMQW-IBGZPJMESA-N 372.329 2.812 0 1 FFAF biogenic CC(C)c1cc2c3c(c1O)OC(=O)C[C@]3(C)[C@H]1[C@@H](OC(=O)C1(C)C)C2=O 14683916 BRVFBXOJAHGUQS-ZWOKBUDYSA-N 358.390 2.847 0 1 FFAF biogenic O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCCCC3)ccc21 72102423 NITGGRNPRCMGHU-KRWDZBQOSA-N 372.490 2.959 0 3 FFAF Cc1cc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)nn1C(C)(C)C 74379345 ZYSXSFWQXBRYFZ-DOTOQJQBSA-N 352.438 2.822 0 3 FFAF CCCCc1ccc(CN(CCCCOCC(=O)O)S(C)(=O)=O)cc1 43074006 LEMTUKURILRYMX-UHFFFAOYSA-N 371.499 2.672 0 1 FFAF CC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1 95572280 DMZYRKRBZQQLFK-UHFFFAOYSA-N 358.405 2.701 0 1 FFAF COc1ccc(CN2CCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 95553961 IGKLKGPNNGOHTD-UHFFFAOYSA-N 369.465 2.910 0 1 FFAF O=C(N[C@@H]1COc2ncccc21)[C@@H](CO)c1ccc(Cl)cc1Cl 146601003 DPNPLMFVTDNEQR-GXTWGEPZSA-N 353.205 2.714 0 1 FFAF CC(=O)Nc1nc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2o1 142415693 PVJPGSIEVYFFBS-UHFFFAOYSA-N 351.370 2.756 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 299810746 ZGINMMAZDQRTDJ-WSDJISKNSA-N 353.462 2.960 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(=O)O)c1)[C@@H](C2)C3=O 587441235 RZJVIZDYWRFFEH-RBZFPXEDSA-N 370.357 2.656 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cnn(C)c1)CC2=O 587479104 YOBUQFVGESFDRL-FQEVSTJZSA-N 372.421 2.892 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587490838 RZFXJRNJEKCWKQ-VCUNCIQHSA-N 366.413 2.891 0 1 FFAF CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587568750 DENLEQBXSUUUAP-VQIMIIECSA-N 363.373 2.951 0 1 FFAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587239633 MFTHZBPNOCSKOZ-UHFFFAOYSA-N 353.426 2.969 0 1 FFAF CN(C)c1cccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652707 ZWUUKYLNQCIGDM-UHFFFAOYSA-N 357.797 2.835 0 1 FFAF CCOC(=O)C(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397886 BQFPSPKSWIBIRI-NRFANRHFSA-N 367.401 2.960 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccncc2)(c2ccc(O)cc2)N1 962903430 USNLMRFFLGMACS-RXVVDRJESA-N 364.376 2.817 0 1 FFAF CN1C(=O)CCc2cc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)ccc21 963025063 JHQWQALTHNWQMQ-IVZQSRNASA-N 361.445 2.738 0 1 FFAF Cc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)no1 962643041 RXGNRFJQDBPMBH-WFASDCNBSA-N 356.300 2.744 0 1 FFAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)N[C@H](C(=O)O)Cc1cccc(F)c12 962896185 KRUVQRFPYUNUBZ-IBZMOEQTSA-N 354.425 2.914 0 1 FFAF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1C(=O)[C@H]2O 14816087 WDPAWIPMFRGQCE-JNAXZKDPSA-N 362.422 2.986 0 1 FFAF biogenic O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(CC(F)F)c2ccc(F)cc12 1772643901 MFCQCQPMXHTGBA-FUNVUKJBSA-N 368.355 2.722 0 1 FFAF COc1cc([C@H]2O[C@H](O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 14641366 REZVXIYYURPOSL-RTPSQPGTSA-N 374.389 2.509 0 1 FFAF CC[C@@H](O)/C=C\C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 169622090 AOPOCGPBAIARAV-PZQIMORQSA-N 350.455 2.905 0 1 FFAF N=C(NC1=N[C@@H]2CCCC[C@@H]2C(=O)N1)N1CCC(Cc2ccccc2)CC1 1857578156 ILUDOCZXAFKIAI-ZWKOTPCHSA-N 367.497 2.510 0 1 FFAF C[C@H]1CCCN(C(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)C1 4967587 KJCWKGGMKKAAJS-BFUNQTEVSA-N 360.473 2.899 0 1 FFAF O=C(CN1CCOCC1)Nc1nc(-c2ccc(F)cc2Cl)cs1 103219418 CHYKUKQOHSYCND-UHFFFAOYSA-N 355.822 2.873 0 1 FFAF Cc1cc([C@]2(O)CC[C@@H](NC(=O)CCc3ccccc3)CC2)ncc1O 100071211 WPZXDDIBQQGCJK-UEDWGHLCSA-N 354.450 2.975 0 1 FFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNC(=O)C2CC2)C=C1C 2356314407 HZBZCQAOUAEFST-OKZBNKHCSA-N 350.503 2.520 0 1 FFAF COC1=C[C@H]2C=C(Oc3ccc4ccc(=O)oc4c3)C(=O)O[C@@H]2C=C1O 2356649666 UJRSXAFBORHKBS-XHDPSFHLSA-N 354.314 2.583 0 1 FFAF COC(=O)[C@]1(C)CCC[C@@]2(CO)[C@@H]1[C@@H](O)C[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356693885 QTHYZUFIFBJEJE-GEKWVJCUSA-N 362.466 2.894 0 1 FFAF CC(C)[C@H](CO)N(C=O)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 2356707453 ZCAKXQUSJDZJIL-IBGZPJMESA-N 365.437 2.509 0 1 FFAF NC(=O)C1CCN(c2nc(-c3ccc4occc(=O)c4c3)cs2)CC1 36380823 ADNGRPBATFJXDX-UHFFFAOYSA-N 355.419 2.618 0 3 FFAF O=C1c2cc3c(cc2OCN1CCc1ccccc1)C(=O)N1CCC[C@H]1O3 72124864 GZKRPPGNBYRVCD-LJQANCHMSA-N 364.401 2.676 0 1 FFAF COc1ccc(/C=C(NC=O)/C(=C/c2ccc(OC)cc2)NC=O)cc1 72110332 ZRAIRHSUKMHHQT-YZLQMOBTSA-N 352.390 2.578 0 1 FFAF O=C1N[C@](c2ccccc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 72126206 ABYVXXANHLMISH-JOCHJYFZSA-N 361.445 2.860 0 1 FFAF COc1ccccc1Cn1cc(C(=O)Nc2cc(Cl)ccc2O)nn1 40380607 NQNLSTXGHLYODT-UHFFFAOYSA-N 358.785 2.946 0 1 FFAF Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1 149948699 AEBUNQLWKMDXEE-AWEZNQCLSA-N 372.322 2.961 0 1 FFAF O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1cccc2c1NCCC2 230469675 DXZBGUSRRXQVTK-KVWWFHCMSA-N 351.450 2.552 0 1 FFAF Cc1cccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)c1C 653806059 KLSHYRCXYZZWFQ-UHFFFAOYSA-N 352.482 2.641 0 1 FFAF CCc1cccc2c(-c3ccc4c(O)nc(O)nc4n3)cn(CC(=O)O)c12 587557297 IGBBLFMQYGZOQP-UHFFFAOYSA-N 364.361 2.705 0 1 FFAF COc1cc(C)c(N)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587250515 XSCAHUHMKKRFSP-UHFFFAOYSA-N 352.438 2.961 0 1 FFAF CC1(C)NC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343272 AYEBMHFPGWAJGP-YLJYHZDGSA-N 355.365 2.928 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(N)c(N)cc3[nH]2)C(F)(F)C1 587132483 QVCFPKMYWOSBIG-MRVPVSSYSA-N 353.373 2.697 0 1 FFAF COC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587247646 VYNVZCSYROJMEG-FQEVSTJZSA-N 351.406 2.701 0 1 FFAF N[C@H](c1ccsc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587025913 SOZRDXRITKCSGK-GFCCVEGCSA-N 352.423 2.732 0 1 FFAF N=c1[nH]cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550815 BRVGJYNZSOJZNA-WBMJQRKESA-N 369.764 2.951 0 1 FFAF COC(=O)c1cccc(-n2cccc2[C@H]2c3nn(C)cc3CCN2C)c1 963955624 QUCUCTOVWDMQJH-IBGZPJMESA-N 350.422 2.575 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 1772648979 GHNZUYVKHZRUSN-INIZCTEOSA-N 369.425 2.990 0 1 FFAF CN(Cc1ccccn1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11873329 JEVFDTYEBJKBLL-MRXNPFEDSA-N 355.413 2.618 0 3 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 15209457 QKXSRJAHTPTJNG-LNVVKLSXSA-N 368.514 2.916 0 1 FFAF endogenous,in-man COc1ccc2c(c1)[C@@]1(NCCc3c1[nH]c1ccc(OC)cc31)C(=O)N2C 203473168 HEDHOHPRTHGWFC-NRFANRHFSA-N 363.417 2.551 0 3 FFAF Nc1ncccc1-c1cc(Cc2ccc(CNCc3cc[nH]n3)cc2)no1 1857616911 KHHHRDCJFIPHBA-UHFFFAOYSA-N 360.421 2.923 0 1 FFAF Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CC(=O)CCN2C3=O)n1 116945117 PZWVOMVNNUHTEA-HNNXBMFYSA-N 350.378 2.894 0 1 FFAF c1cc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c(OC2CCOCC2)n1 114771965 NKLZILGCSPZPJM-UHFFFAOYSA-N 369.425 2.731 0 1 FFAF Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3c(Cl)cc(Cl)cc3c2n1 73161861 YVZMBGIGFKRNSJ-YUMQZZPRSA-N 350.209 2.816 0 1 FFAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(CO)c3)c2)cc1 45302813 QSDBCSJTLPBPPM-UHFFFAOYSA-N 354.431 2.894 0 1 FFAF Cn1cc(-c2nc(N)ncc2I)c2ccccc21 43024825 UBGVTDYQKHFKNI-UHFFFAOYSA-N 350.163 2.822 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1Cc1ccco1 95603352 SIHVCGAOCLWNGL-IBGZPJMESA-N 351.410 2.910 0 3 FFAF CC[C@@]12CC[C@@]34CO[C@@]56CC[C@@H]3CN1C[C@]51[C@H](CC6)[C@H](C(=O)OC)C[C@]241 238752875 GUZFWJSFDMIBBS-YGEKAIPGSA-N 357.494 2.999 0 1 FFAF O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](Cn2ccnc2)C1 653888056 QCXBBMJAJFMQPJ-GFCCVEGCSA-N 357.838 2.777 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csnn1 587869600 NHAQCBXTTRGIDA-UHFFFAOYSA-N 355.301 2.513 0 1 FFAF COCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797527 VWOMNJUKAFEQKF-QLJPJBMISA-N 374.250 2.917 0 1 FFAF COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587408726 NZAQODWAUBXJTF-HXUWFJFHSA-N 369.373 2.730 0 1 FFAF COCCOCCCc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F 587367951 CREDONAAWDGSCO-UHFFFAOYSA-N 373.384 2.838 0 1 FFAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432946 SWCVHUVOQCMDHP-QRWLVFNGSA-N 370.405 2.508 0 1 FFAF CC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1 2356455948 NKBBYRJYKGXDCB-UHFFFAOYSA-N 351.468 2.591 0 1 FFAF CCCCOC(=O)[C@H]1C=C(C(=O)O)c2cccc(C(O)=CC(=O)O)c2C1 2356386424 ICXRSMFOBZJOEB-LLVKDONJSA-N 360.362 2.654 0 1 FFAF C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 4906750 UYOMAIIELHBVNZ-OAHLLOKOSA-N 369.465 2.679 0 1 FFAF NC(=O)c1cn(-c2ccc(F)cc2)c2cc(Br)ccc2c1=O 6536438 IQKRHPFBSXIUOY-UHFFFAOYSA-N 361.170 2.991 0 1 FFAF COc1cc(OC)cc(N2[C@@H]3CC[C@@H]2CC(c2cnc(N)nc2N)C3)c1 100782740 JGPAZLDJBCRUKN-CHWSQXEVSA-N 355.442 2.573 0 1 FFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@H]([C@@H]35)N2CCc1ccc(Br)cc1 101668918 MYVMDLNNVMLPQJ-LIOSSLOSSA-N 358.279 2.752 0 1 FFAF CCC(CC)C(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356765043 JWJKVCPVNRZJKQ-CABCVRRESA-N 372.469 2.876 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@H](O)C=C[C@@H]1C 2356808794 AKEHVDXXBSMJCT-JHHINECGSA-N 354.487 2.740 0 1 FFAF N[C@@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@@H]12 15209839 INCNNKYUDFBEIB-BXUZGUMPSA-N 354.273 2.793 0 1 FFAF biogenic CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224766455 GBECEKKKCYJZEI-UHFFFAOYSA-N 372.425 2.782 0 1 FFAF O=C(/C=C/c1ccccc1)NCCCCNC(=O)Cc1ccc(O)cc1 84688385 QERNZIGNKQVFBH-JLHYYAGUSA-N 352.434 2.661 0 1 FFAF COc1cc2c(c(O)c1C(=O)CCc1ccc(O)cc1)C[C@@H](C(C)(C)O)O2 95586112 BFMJOSISVDMGFC-SFHVURJKSA-N 372.417 2.996 0 1 FFAF CC1(C)OC(N[C@@H](CCO)c2ccccc2Cl)=NS(=O)(=O)C1(C)C 96273929 VVANILDVNSKWRR-ZDUSSCGKSA-N 374.890 2.626 0 1 FFAF C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661634 OEBXSARLGHODSC-PBHICJAKSA-N 362.470 2.952 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@H](O)[C@@H]1O 238784953 HRRWPOOLLFZIQU-OALUTQOASA-N 354.358 2.731 0 1 FFAF CCCOC(=O)Cc1cc(OC)c(OCC(=O)N(CC)CC)cc1F 299819633 AXNVQQWIZFWCGM-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF CC1(C)NC(=O)c2ccc(-n3c(O)nc4ncccc43)cc2N1CC1CC1 653844014 WWMNGOSHFBCVEU-UHFFFAOYSA-N 363.421 2.822 0 1 FFAF Nc1ncc(-c2cc(N3CCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F 653752951 PLXBPKHUPSEOAI-UHFFFAOYSA-N 374.395 2.531 0 1 FFAF NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncc3ccnc-3[nH]2)cn1 653849057 DIORUIRIBIFPEM-HNNXBMFYSA-N 353.430 2.846 0 1 FFAF Cc1c(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)cnn1C 587652920 ODXJRDVYTLIJFK-UHFFFAOYSA-N 352.785 2.538 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 586935838 JAMUOFOOGKRPQV-SECBINFHSA-N 365.846 2.702 0 1 FFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 586890302 OCXYSQFKLSXPHB-ACJLOTCBSA-N 373.478 2.959 0 1 FFAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 587559705 LTWOQRUPOYRRLV-TZMCWYRMSA-N 365.389 2.813 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(OC)cc41)[C@@H](C2)C3=O 587441913 VGKPVMUALNAPNP-VBKZILBWSA-N 351.358 2.607 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N1C(=O)c3ccccc3C1=O)O2 587390307 GQMKGASBBDJKDV-QGZVFWFLSA-N 364.401 2.986 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1C(=O)O)CC2=O 587492887 ZCKVLJROSIGQPK-HXUWFJFHSA-N 370.357 2.988 0 1 FFAF O=C(NCCc1nc2cc(F)cc(C(=O)O)c2[nH]1)OCc1ccccc1 587227974 FHBKNCCRAZGONN-UHFFFAOYSA-N 357.341 2.869 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccnc1 587585478 DZKZEEMJGGSTFW-OXQOHEQNSA-N 363.325 2.729 0 1 FFAF CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n(C)c1 586947372 MXLVRLLVIZMHKF-UHFFFAOYSA-N 359.238 2.783 0 1 FFAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ncccn2)N1 963168114 FZXZBLPFMDVBLG-SKDRFNHKSA-N 357.719 2.837 0 1 FFAF O=C(N[C@@H]1CCNC1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1 13588775 XINNQVHBRVROQD-MRXNPFEDSA-N 372.428 2.768 0 1 FFAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCNCC2)cc1 169351814 JQGTYRUDJRNAOB-UHFFFAOYSA-N 362.477 2.789 0 1 FFAF COc1ccc(OC)c([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726073 LNBNGWSJRBOHKT-RDJZCZTQSA-N 352.415 2.935 0 1 FFAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 166893930 AHZLOPJUFWUDAM-UHFFFAOYSA-N 353.422 2.866 0 1 FFAF Cn1cc(-c2cccnc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205421931 SHPXAWZPNJIJGI-UHFFFAOYSA-N 371.447 2.893 0 1 FFAF CCN(CC)C[C@@H](O)COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 2272588 DLYMFOLYIKQMOC-TZIWHRDSSA-N 363.498 2.700 0 3 FFAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO 4213603 APUIXQYQDYSRKC-SJORKVTESA-N 368.499 2.887 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296281 HORXBVNTEVKUHM-DOTOQJQBSA-N 362.788 2.679 0 1 FFAF CC(C)C(=O)OCn1c([S@](=O)Cc2ccccn2)nc2ccccc21 26006402 FMCBCCHPAFLSNR-VWLOTQADSA-N 357.435 2.896 0 1 FFAF CC(=O)O[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 2356481979 DDRUVFKWNXGBTK-KVQDAUAASA-N 354.450 2.790 0 1 FFAF CC=C1CN2CC[C@@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1cc(OC)ccc14 2356559227 AWDINAQEZMNGBT-OXTHUFEASA-N 352.434 2.840 0 1 FFAF OC[C@H](Cc1ccccc1)Nc1nccc(Nc2ccc3c(c2)OCO3)n1 64499523 UGORNYGYRYWTPT-INIZCTEOSA-N 364.405 2.964 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 95798043 PTKQWCOSPHHWRV-QIRJRXPTSA-N 362.473 2.891 0 1 FFAF CC(C)NC(=O)C[S@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 253639398 TVJWNQXHBUULSP-OWWADGOUSA-N 370.946 2.649 0 1 FFAF O=c1cc(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH][nH]c1=O 95588527 JRZSGUBDBHTWCQ-UHFFFAOYSA-N 352.234 2.886 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(O)c1 299837822 LDWNNVJJGOSBLJ-UHFFFAOYSA-N 365.769 2.815 0 1 FFAF COc1ccc(-c2nc3cnncc3[nH]2)c(I)c1 587179762 FNWCDRGOUKWPLH-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 587560150 CPXCYICWNYHDOJ-GXFFZTMASA-N 365.389 2.897 0 1 FFAF N=c1[nH]cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550813 BRVGJYNZSOJZNA-MLGOLLRUSA-N 369.764 2.951 0 1 FFAF CCC(=O)N[C@@H](O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386873 MLJUFZRPQJJVOU-SFTDATJTSA-N 368.433 2.591 0 1 FFAF COC(=O)C(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991541 KWJSNLXAGTWMCQ-CYBMUJFWSA-N 373.364 2.924 0 1 FFAF COC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445188 ZSIXCTSIMCXWOM-IIBYNOLFSA-N 368.385 2.910 0 1 FFAF O=C(O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 587184662 LISQBVNQOWZOST-UHFFFAOYSA-N 365.130 2.928 0 1 FFAF CC[C@H]1C(=O)C[C@@H]2[C@H]3CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 685935948 JHBBZIAPXDEPET-RBXIENPRSA-N 350.499 2.537 0 1 FFAF biogenic,in-vitro CCOC(=O)Cn1c(C)cc([C@H]2NCCc3c(C(=O)O)cccc32)c1C 963129039 DSMPLDLXGKPBCN-IBGZPJMESA-N 356.422 2.601 0 1 FFAF CC(C)[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759695 KXEUYTNRQFJGCI-LBPRGKRZSA-N 359.480 2.706 0 1 FFAF COc1ccc(S(=O)(=O)/N=c2\sc(C(C)(C)C)c(C)n2C)cc1 14944736 FRKOOCKLRSUCQQ-ICFOKQHNSA-N 354.497 2.991 0 1 FFAF C/C=C1\CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 15203398 NFUNVPXUVUEVKF-CSUVEVHTSA-N 352.434 2.964 0 1 FFAF COc1cccc(CNC(=O)c2nc3ccc(SC)cc3c(=O)[nH]2)c1 150124158 GGHZJASRBSUJRQ-UHFFFAOYSA-N 355.419 2.584 0 1 FFAF C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1Cc1nccc3c4ccccc4n2c13 165016385 HPBUEEAIZGVXAY-LQBGZTMDSA-N 364.401 2.525 0 1 FFAF N#CN1CC[C@@H](NC(=O)c2ccc(Nc3nccc(C4CC4)n3)c(F)c2)C1 1857569366 KIPIUXKKAQHKET-CQSZACIVSA-N 366.400 2.522 0 1 FFAF CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 4184502 HHSFJHANGGIQHQ-UTQVJTIVSA-N 356.466 2.752 0 1 FFAF COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 4967778 NMBLMWDVHWISJI-SFHVURJKSA-N 368.481 2.677 0 3 FFAF COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1OC 103538709 OHDKZYVSKGUXKR-QGZVFWFLSA-N 356.382 2.975 0 1 FFAF CC(=O)O[C@@H]1C2=C(C(=O)OC2)[C@]2(C)CCCC(C)(C)[C@@H]2[C@H]1OC(C)=O 2356466992 ZRLPTLKSJBPDJA-DRMAHVMPSA-N 350.411 2.549 0 1 FFAF COc1ccc(-c2cc(=O)c3c(O)c(C=CC(=O)O)c(O)cc3o2)cc1O 2356633429 YGQFRAJVEBXHHA-UHFFFAOYSA-N 370.313 2.683 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@H]3CC(=O)O)[nH]c2c1 2356648451 ASSKEBJNTODDTF-LSDHHAIUSA-N 367.453 2.750 0 1 FFAF N[C@@H](C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1 28456679 MRDSKNIFGPJOPB-GOEBONIOSA-N 357.479 2.988 0 1 FFAF O[C@@H](CO[C@@H]1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1 219723103 LEPMATVZPMPFLC-DHIUTWEWSA-N 366.505 2.697 0 1 FFAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 82206626 CRWVVOLWEOSLIR-INIZCTEOSA-N 374.460 2.715 0 1 FFAF COc1cc(C)ccc1OCc1nc(C(=O)N[C@H]2CC[C@H](O)CC2)co1 299872941 PNNKQHQXDOFQGV-HDJSIYSDSA-N 360.410 2.604 0 1 FFAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H](CCN2Cc2cn(C)c3ccccc23)O1 299842812 ZYAAVSSLRGBTNE-XUVXKRRUSA-N 355.482 2.825 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1Br 586980225 SKAYXCGMZJETDW-UHFFFAOYSA-N 351.160 2.812 0 1 FFAF Nc1ncnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586957627 ADGYLKMHULTIGL-SANMLTNESA-N 363.446 2.973 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc4c3CCOC4)[nH]c12 587031524 IKWLXLOWNGEFPE-UHFFFAOYSA-N 363.464 2.614 0 1 FFAF O[C@@H](c1nc2cccc(I)c2[nH]1)C1CCOCC1 586913788 ORSUAYFFABDZAI-GFCCVEGCSA-N 358.179 2.628 0 1 FFAF COc1ccc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587935360 DYBIWNBVRIUEMJ-UHFFFAOYSA-N 366.259 2.706 0 1 FFAF C=C(C(=O)O)c1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O 587945357 MSFYKLJYXRLUDU-UHFFFAOYSA-N 357.341 2.679 0 1 FFAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@H]1CCCO1 587392860 WJZDESFDFPRVRQ-VLIAUNLRSA-N 356.422 2.596 0 1 FFAF CS(=O)(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609432 VTGIEOWIFSASSY-LPHOPBHVSA-N 374.414 2.547 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1[nH]cnc1C(=O)O)O2 587396583 MGYFLSMLRJUVIJ-HXUWFJFHSA-N 363.373 2.908 0 1 FFAF COC(=O)c1cc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2cc1OC 587155175 IINMMFJQTVBMBM-CWTRNNRKSA-N 355.369 2.839 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cccn2CCc2ccccn2)N1 962891437 BGAWLYMJMRQHDF-PXNSSMCTSA-N 365.408 2.953 0 1 FFAF C[C@H](N)C[C@]1(c2ccc(F)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034250 QZAHVOKWWMYTOC-PXIJXODZSA-N 353.441 2.860 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(-c2cnn(C)c2)nc1 963607671 JWQQWDXARAILFQ-BUXKBTBVSA-N 365.437 2.518 0 1 FFAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1 142297998 BHDPFSLFZXFXCO-QGZVFWFLSA-N 354.431 2.928 0 1 FFAF CC1(C)OC[C@@H](Cn2cc([C@@H](O)c3ccc(C(F)(F)F)cc3)nn2)O1 1772592367 CQDIITHCXYUYOT-OCCSQVGLSA-N 357.332 2.530 0 1 FFAF COC(=O)C1=Nc2cc(OC)c(OC)cc2/C1=C/NNc1ccccc1 13122055 IQEYVQOFAHLHRH-KAMYIIQDSA-N 353.378 2.921 0 3 FFAF COc1cccc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c1 13642785 KPMKUCGAUSWIBL-UHFFFAOYSA-N 359.455 2.993 0 1 FFAF COc1cc([C@@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)cc2c1OCO2 14436417 OPMVFPLFBRWXER-NSHDSACASA-N 360.318 2.550 0 1 FFAF endogenous,in-man CC(C)C[C@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150253315 YOPYPAFNHQZWSA-FQEVSTJZSA-N 359.470 2.768 0 1 FFAF Cc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCCO5)nc12 206165904 MOIMSOJRAIPJMQ-UHFFFAOYSA-N 361.405 2.846 0 1 FFAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)nc2N1C1CC1 1857759997 JQXBXHQMQGQGQT-ZDUSSCGKSA-N 362.433 2.618 0 1 FFAF COC(=O)C1(C(=O)OC)CC=CCC=Cc2ccccc2[C@@H]1C[N+](=O)[O-] 253916592 QZINBYHRPRNVFU-INIZCTEOSA-N 359.378 2.743 0 1 FFAF Cn1c2ccccc2c2nnc(SCC(=O)NCc3ccoc3)nc21 971084 URRDZOJOJAAKBQ-UHFFFAOYSA-N 353.407 2.518 0 3 FFAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049428 UBPVGRWMVYZWKC-MJGOQNOKSA-N 355.438 2.829 0 1 FFAF COc1cc(O[C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O 2356286295 IABRXERCCIPDNL-SMHQJORMSA-N 374.389 2.854 0 1 FFAF CCNCC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27422507 HVUJMIKTWOKCJD-UHFFFAOYSA-N 373.428 2.610 0 1 FFAF COCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)OC)[C@@H]1C 66113533 RSVJFSYTDHCFMC-GDLCADMTSA-N 374.359 2.596 0 1 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)s1 27309559 GCRYUAABOLZAQH-SNVBAGLBSA-N 371.418 2.504 0 1 FFAF CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)N(C)C)cccn12 61905401 IPGKYFOWQXRUQB-UHFFFAOYSA-N 360.458 2.517 0 3 FFAF COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C)CC3)c1 40935670 LSWLSIMHPAPJAE-UHFFFAOYSA-N 370.474 2.917 0 1 FFAF CC(=O)NCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 145201619 ZMOLOIGKIATFSE-UHFFFAOYSA-N 368.418 2.779 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 59728872 UQLCEZCBCSBXKA-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic CNC(=O)c1c(C)[nH]c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1C 587874763 BJBKOTOHSVXQKU-UHFFFAOYSA-N 354.341 2.788 0 1 FFAF Cc1c(Cl)ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586957575 BUUKMXLELPIPJE-INIZCTEOSA-N 365.842 2.994 0 1 FFAF c1c[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2n1 587016796 DPZNGLLQPFMLQI-UHFFFAOYSA-N 351.391 2.790 0 1 FFAF CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587394538 HAPUMLPYHIPIPB-YCRPNKLZSA-N 366.417 2.958 0 1 FFAF Cc1ccc2c(ccc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c32)n1 586929189 TYUNSGKLXNTTMJ-UHFFFAOYSA-N 367.434 2.635 0 1 FFAF C[C@@]1(c2cnc[nH]2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963197129 MRIZXESEJHRBEO-OTYXRUKQSA-N 359.735 2.944 0 1 FFAF COC(=O)c1ccnc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c1 963067978 PQJIEKYBLNPFOV-OAQYLSRUSA-N 363.417 2.834 0 1 FFAF Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3ncc(CO)s3)[nH]2)cc1F 1772609462 NRGUFSUZRVPWQZ-MRXNPFEDSA-N 374.441 2.508 0 1 FFAF CCCNC(=O)N(CCOC)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12315888 LYYFBDQSTYLFSU-SFHVURJKSA-N 373.541 2.934 0 3 FFAF CCO[C@@H]1OC(C(N)=O)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO 13656536 JEJSLKONDBEVJJ-CKEIUWERSA-N 373.371 2.940 0 3 FFAF CCCC[C@@H](Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759716 MEUJEXCPMKJKPI-CQSZACIVSA-N 370.482 2.993 0 1 FFAF COc1cc2cc[n+](C)c3c2c(c1O)-c1c(ccc(OC)c1OC)C3=O 15257695 HMQBFDQTDITXEP-UHFFFAOYSA-O 352.366 2.607 0 1 FFAF CN(C)Cc1ccc(CSCCN/C(=C/[N+](=O)[O-])N2CCCCC2)o1 204544295 NMBJWVPNYHGHCZ-LGMDPLHJSA-N 368.503 2.726 0 1 FFAF C[C@H](Nc1ccnc2ccnn12)c1nn2cccc2c(=O)n1-c1ccccc1 205604145 VAXHNPWKIZOZBA-AWEZNQCLSA-N 371.404 2.701 0 1 FFAF CC(=O)Nc1ccc(NC(=O)COC(=O)CCOc2ccccc2F)cc1 1857754337 HLSAIIVVRHBWRN-UHFFFAOYSA-N 374.368 2.735 0 1 FFAF O=c1c2cc(I)ccc2nc(-c2cccs2)n1O 1663526 PWXOVFJGQMENIX-UHFFFAOYSA-N 370.171 2.967 0 1 FFAF CC[C@H](Sc1nncn2c1cc1oc(C)cc12)C(=O)N1CCOCC1 6894057 ZCLMVOSCLOWARW-HNNXBMFYSA-N 360.439 2.513 0 1 FFAF CCc1nnc(S[C@@H](CC)C(=O)NCCOC)c2cc3occc3n12 6894236 MSYQZQOETYQSKO-AWEZNQCLSA-N 362.455 2.671 0 1 FFAF O=C(O)C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2F)n1)c1ccccc1 101564342 DCDUAYARIZLXMG-CQSZACIVSA-N 369.352 2.663 0 1 FFAF O=C(CC(=O)c1nnn[nH]1)c1cccc(OCc2ccc(Cl)cc2)c1 103139699 LPCYPOOVNZLBIO-UHFFFAOYSA-N 356.769 2.888 0 1 FFAF Cc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 104100909 LAPINGKCFHLOFK-OAHLLOKOSA-N 371.396 2.931 0 1 FFAF Cc1nc2ccc(CSC(=S)N3C[C@@H](C)O[C@H](C)C3)cc2c(=O)[nH]1 28334549 OYDIJFQAVWEXQL-GHMZBOCLSA-N 363.508 2.859 0 1 FFAF Cn1c(CN2CCOC[C@@H]2c2ncc(-c3ccncc3)[nH]2)nc2ccccc21 2356476846 QUOXXBNJLWUADU-LJQANCHMSA-N 374.448 2.932 0 1 FFAF CC(=O)O[C@@H]1CCC(C)=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C 2356565642 GEJWFAFQALIJIQ-KZNVJMBFSA-N 350.411 2.548 0 1 FFAF COc1ccc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1O 2356587622 RDQYZETVAPDYFY-CQSZACIVSA-N 354.358 2.929 0 1 FFAF COc1cc(CCC(=O)Nc2ccc3c(c2)COC3=O)cc(OC)c1OC 73222069 WKVWWERPAIPDDG-UHFFFAOYSA-N 371.389 2.954 0 1 FFAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1[C@@H]2O)OCO4 31357288 FLSSXYPKPLFNLK-RTBURBONSA-N 355.390 2.579 0 3 FFAF biogenic,in-vitro COc1cc2c(cc1OC(C)=O)[C@H]1[C@H]3C(=CC[C@H]1OC(C)=O)CCN3C2 85776665 AEKKCQQRNJILFL-NSISKUIASA-N 357.406 2.554 0 1 FFAF biogenic COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82141830 VPDWAFHLNNHOBR-UHFFFAOYSA-N 358.442 2.739 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(CC(C)C)nc(N)n1 223525023 RLPUVVAFQJDPLW-HNNXBMFYSA-N 356.426 2.512 0 1 FFAF O=c1n(CCc2ccc3ncccc3n2)nc2c(-c3ccncc3)cccn12 148083990 VRUXRYNFEDNSPK-UHFFFAOYSA-N 368.400 2.744 0 1 FFAF CC(=O)N1CCC(Nc2ccnc(O)c2-c2nc3ccccc3[nH]2)CC1 653720578 INFCRHKHYGIRSM-UHFFFAOYSA-N 351.410 2.753 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(C(=O)O)N1 587827963 MVPNVFRPBJOUCI-ANRSDYALSA-N 374.206 2.657 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C3CCC(N)CC3)[nH]c2c1 587256891 TWXZNWVDDPMZSD-UHFFFAOYSA-N 350.488 2.626 0 1 FFAF COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442250 KOWJEADCISSDSJ-IIBYNOLFSA-N 368.385 2.910 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962952582 VBMVQOCXHJICRN-MEBBXXQBSA-N 354.410 2.787 0 1 FFAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1 13441391 ZLVIQUHAKCYTKW-HXUWFJFHSA-N 372.424 2.749 0 1 FFAF CC(=O)Nc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 169344802 ZVJPAEKABJFEBZ-UHFFFAOYSA-N 354.458 2.752 0 1 FFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055074 BNPBVBSGOADZPG-VYDXJSESSA-N 362.813 2.912 0 1 FFAF CC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2nc[nH]c(=O)c12 115624783 WRKULZCMKFFSGV-UHFFFAOYSA-N 365.437 2.642 0 1 FFAF O=c1ccc(-c2ccc(S(=O)(=O)NCCC3=CCCCC3)s2)n[nH]1 20574699 OCGQWGZTSBBRBK-UHFFFAOYSA-N 365.480 2.667 0 1 FFAF c1cc(C2=NCCN2)cc(-c2cc(-c3cccc(C4=NCCN4)c3)on2)c1 28643308 GPDUJBHJBOWYAA-UHFFFAOYSA-N 357.417 2.708 0 1 FFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356811220 HPGWZMYAAOMWIK-AQNXPRMDSA-N 372.533 2.530 0 1 FFAF COc1c(OC[C@@H]2O[C@]2(C)C[C@H]2C[C@H](C)C(=O)O2)ccc2ccc(=O)oc12 13360878 NMUNRSJTWXAARD-UNAFCIBKSA-N 374.389 2.680 0 1 FFAF biogenic COc1ccc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)c1 84602338 GIALJFDYPPCBTC-CMDGGOBGSA-N 363.435 2.880 0 1 FFAF CN(CCO)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144790848 UVNRPUWOEVRIKW-KRWDZBQOSA-N 351.324 2.530 0 1 FFAF CC1(C)Oc2ccc(Br)cc2[C@]2(CSC(N)=N2)C12COC2 149350410 FXWBDJSWBRAHBD-OAHLLOKOSA-N 369.284 2.894 0 1 FFAF O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869160 QAFUJIZSBCRCGH-UXHICEINSA-N 354.494 2.628 0 1 FFAF Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 263621222 XKAQFZLONLOUSN-UHFFFAOYSA-N 352.415 2.814 0 1 FFAF in-vitro C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ccsc2n1 618020147 ZFKMKJXNIVVKLO-LLVKDONJSA-N 353.407 2.778 0 1 FFAF O=C(NCCO)c1cccc(-c2cn3c(-c4cccs4)cnc3cn2)c1 653755624 DFCPMMSJDHPKTD-UHFFFAOYSA-N 364.430 2.847 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799468 XHKLRCOWYFYQOE-RDGWCUKFSA-N 355.251 2.864 0 1 FFAF C[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346172 LKMIQRYMXAJSFB-TZFGQJNGSA-N 355.365 2.785 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CO)on2)N1 587793181 KDCUWUBYNATDFY-GLEZIHRCSA-N 355.207 2.866 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)SCC(=O)O)O2 587409302 LHTDMYLHYZXJNH-MOPGFXCFSA-N 373.430 2.574 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(I)=C/N(C)C)O2 587387451 ROWAFFSABGYYSZ-PGJNLMOESA-N 372.206 2.749 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596408 OLWYSMWCQQGKPQ-AODNKKSCSA-N 354.358 2.922 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)N1C(=O)c3ccccc3C1=O)O2 587390304 GQMKGASBBDJKDV-KRWDZBQOSA-N 364.401 2.986 0 1 FFAF COC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587247647 VYNVZCSYROJMEG-HXUWFJFHSA-N 351.406 2.701 0 1 FFAF COc1ccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1CO 963029064 MWCRLZVBZGQDRG-ASSNKEHSSA-N 352.434 2.504 0 1 FFAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12NCCc1cc3cccc(OC)c3nc12 963051695 FOZDBAKUFOGRRX-UTKZUKDTSA-N 366.417 2.640 0 1 FFAF Cn1ncc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C1CC1 962981689 VPZXLXNFUVZKQQ-SWLSCSKDSA-N 367.783 2.917 0 1 FFAF C[C@@H]1c2cc(-c3c[nH]c4cc(F)ccc34)ccc2S(=O)(=O)N1CC(N)=O 1772603558 VNZGFEKDXRDFKR-SNVBAGLBSA-N 373.409 2.525 0 1 FFAF CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCOC)C3)sc2c1 5105901 HVFBVGOJOPZRIU-ZDUSSCGKSA-N 363.483 2.674 0 1 FFAF CC(C)CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 5857371 QSPUODWHQMJTCS-YKTARERQSA-N 361.463 2.619 0 1 FFAF C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C[C@@H](C)N1 5929744 ICKOYARURFGSGZ-VXGBXAGGSA-N 373.428 2.750 0 1 FFAF OCCNc1nc(Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1 12480367 XJNYPHZFAAXNHO-UHFFFAOYSA-N 368.363 2.638 0 3 FFAF CCC1=C(c2ccc3c(c2)OCO3)C(=O)O[C@@]1(O)c1ccc(OC)cc1 13761527 ZIQBXJIFQHHELM-FQEVSTJZSA-N 354.358 2.990 0 1 FFAF COC(=O)C[C@@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CC[C@H]1O 2356347139 JRCFLZQSHKOCLZ-YLJYHZDGSA-N 366.454 2.886 0 1 FFAF Cc1ccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 3959028 BWNBEHJXCANSTB-UHFFFAOYSA-N 363.461 2.818 0 3 FFAF CC(=O)O[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O 2356481978 DDRUVFKWNXGBTK-BAEVKLAGSA-N 354.450 2.790 0 1 FFAF CCCCn1c(CN(C)Cc2ccccn2)cnc1S(=O)(=O)CC 55036690 WSDLXDUBUJYOIE-UHFFFAOYSA-N 350.488 2.504 0 1 FFAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101282981 WSFPEOPUUJFNEF-GXRSIYKFSA-N 371.569 2.967 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61905356 DWNDWCDIXOJSFW-QGZVFWFLSA-N 372.387 2.710 0 3 FFAF Fc1ccc(OC[C@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 27844951 QXWNESOGWFJDFR-YOEHRIQHSA-N 360.408 2.734 0 1 FFAF COc1ccc(C[C@@H](CO)C(=Cc2ccc3c(c2)OCO3)CO)cc1OC 2356653013 XUDZYVQTZDTQGU-INIZCTEOSA-N 372.417 2.659 0 1 FFAF C[C@@H]1CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)c2cc(C(=O)O)cc(O)c21 2356849250 PUHUHJOKQKBQHX-DJYASSRPSA-N 366.454 2.592 0 1 FFAF CCNc1nc(N2CCC(CCO)CC2)nc2cc(OC)c(OC)cc12 82132188 NYVSIFUKRWTCOQ-UHFFFAOYSA-N 360.458 2.678 0 1 FFAF COc1cc(C2=NCC(=O)N3CCc4c(Cl)cccc4C3=C2)ccn1 149047889 WERIHXWXSRLQFO-UHFFFAOYSA-N 353.809 2.972 0 1 FFAF CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@H]31)[C@H]42 263638929 YBDIDQHYUBEDQR-DARKYYSBSA-N 352.434 2.780 0 1 FFAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN 653848792 RPOPOPGPHYKBQY-UHFFFAOYSA-N 358.373 2.873 0 1 FFAF Oc1nc(O)c2ccc(-c3ncc(Cl)cc3Br)nc2n1 587365304 CCALREBLONCTQR-UHFFFAOYSA-N 353.563 2.914 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCN1C(=O)c3ccccc3C1=O)O2 587389852 DDKWHPWRDNAUJC-OAQYLSRUSA-N 364.401 2.987 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2c(F)cnc(Br)c2[nH]1 587095122 YEFMWNLEELMIIU-BYPYZUCNSA-N 369.116 2.989 0 1 FFAF COC(=O)c1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441300 DHWHWFRRMDEPLG-KUHUBIRLSA-N 354.358 2.979 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O 587444836 QRGYEYLMRDQWEZ-UWJYYQICSA-N 350.418 2.594 0 1 FFAF O=C(CCc1nc2ccc(O)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024285 SQLXIAASGGIYMT-UHFFFAOYSA-N 366.406 2.753 0 1 FFAF Cc1nc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n(C)c1C 962647884 YUHFZKUMALDWNE-KGLIPLIRSA-N 369.343 2.624 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc2c(nc1O)CCOC2 963608358 KRBHHCCWDXGGLD-NSPYISDASA-N 356.422 2.501 0 1 FFAF O=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1 218219177 VBYNYZPZKXJUEM-UHFFFAOYSA-N 352.369 2.845 0 1 FFAF CN(CCc1cnn(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 146620601 NMDDEKBJKMJOQQ-UHFFFAOYSA-N 354.385 2.779 0 1 FFAF CC1=CC(C)(C)NC(=S)N1c1cccc2cc(S(N)(=O)=O)ccc12 1772641801 YDCORRJCDCCKPL-UHFFFAOYSA-N 361.492 2.864 0 1 FFAF Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12595356 SRBLSEGUJMPYMD-SFHVURJKSA-N 374.529 2.846 0 3 FFAF Nc1nc(N)c2cc([S@](=O)c3cccc(C(F)(F)F)c3)ccc2n1 169315058 LTXVJYOHHWHLHF-XMMPIXPASA-N 352.341 2.980 0 1 FFAF CCCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1 169334052 QTEQBQFVPQQSDK-INIZCTEOSA-N 350.459 2.756 0 1 FFAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@@H](O)C1 205246997 PLZFUAHYVSHHBG-OAHLLOKOSA-N 372.432 2.961 0 1 FFAF Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C2CC2)c1C(N)=O 4087355 SUSGPICSIHLDDT-UHFFFAOYSA-N 358.419 2.823 0 3 FFAF COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103189066 STGMCBXIWDWKNF-NRFANRHFSA-N 359.385 2.711 0 1 FFAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC 28567800 MWOCCQHDQVICRI-UHFFFAOYSA-N 371.393 2.977 0 1 FFAF CCC[C@H](C)[C@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962042 MPNDQUDYRDDDQH-MAUKXSAKSA-N 362.470 2.564 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)C2C[C@@H]3CCC[C@@H]3C2)CC1 28259195 LVSNRIKAZSXEPP-DFNIBXOVSA-N 371.525 2.760 0 1 FFAF CC1=CCC[C@](C)(O)[C@H](O)C[C@H]2CC[C@@](C)(OC(=O)[C@H]2C)[C@H](O)CC1 2356615654 JYRNLNBXLZDLIM-NDOCZDNFSA-N 354.487 2.718 0 1 FFAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 82204590 LCNAFXSRMQOHAI-UHFFFAOYSA-N 364.449 2.705 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)CC)N(C(C)=O)[C@H]2CO)cc1 95895127 ZVXAIOOMSLUWQB-HFBJQBFJSA-N 358.482 2.653 0 1 FFAF C[C@@]1(c2ncc(CN(CC(=O)O)Cc3ccccc3)cn2)CCCCO1 299850456 HKFUXQFMSVJDHH-FQEVSTJZSA-N 355.438 2.979 0 1 FFAF O=c1cccc(-c2nc3ncc[nH]c-3n2)n1CCOc1ccccc1Cl 587064023 JILJSAIDKHFOFJ-UHFFFAOYSA-N 367.796 2.866 0 1 FFAF CC[C@]1([C@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570891 JRCWYIUOUXQOIJ-YJLNNSPDSA-N 371.345 2.811 0 1 FFAF O=C(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1cc2c(s1)CCC2 587035112 OKRYLEGWSJMQKP-UHFFFAOYSA-N 355.419 2.814 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)O2 587395666 DXAPELZHDVNMAZ-OAQYLSRUSA-N 361.401 2.913 0 1 FFAF CCOC(=O)Cc1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587781708 BVGRMLIKAGQVLN-UHFFFAOYSA-N 352.390 2.954 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nn2)N1 587793130 JWYFVBZVVKDHAW-GLEZIHRCSA-N 352.207 2.882 0 1 FFAF CN(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587574791 YSUODAXVKMTNSP-VQIMIIECSA-N 363.373 2.951 0 1 FFAF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C=O)c1 587440800 BFDCVHJYQYPDSW-BEFAXECRSA-N 352.342 2.783 0 1 FFAF COC(=O)CCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587430769 GYOWVZOWUOLVCI-JLTOFOAXSA-N 370.405 2.560 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc(Br)cn1)O2 587373202 RWZRKNVGULNUJK-OAHLLOKOSA-N 350.216 2.960 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 587400503 QICIGTQIWQOBEN-CBLJQSSYSA-N 374.437 2.547 0 1 FFAF CC1=C[C@@]2(C(=O)CN1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962632562 LKZIUFHDMTWSOA-REWPJTCUSA-N 359.473 2.705 0 1 FFAF CC(=O)Oc1ccc(Cc2ccc(OC(C)=O)c(C(=O)O)c2)cc1C(=O)O 230522499 GVSPKHDXKWBSBV-UHFFFAOYSA-N 372.329 2.524 0 1 FFAF O=C1CCc2ccc(OCCCN3CCC(N4CCCC4)CC3)cc2N1 1772639548 KKRQTLZLQIANNI-UHFFFAOYSA-N 357.498 2.900 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](O)C(C)C)ncc12 1772649201 ZLVGVXSUBMGOAD-IRXDYDNUSA-N 369.425 2.846 0 1 FFAF O=[P@]1(Oc2ccccc2)C[C@@H](O)[C@@H](O)[C@H](COCc2ccccc2)O1 12466713 XAGKYQFKXRVBOD-ASWYFOPWSA-N 364.334 2.596 0 3 FFAF CCOC(=O)c1[nH]c2ccc(CCN3CCCC3=O)cc2c1CCN(C)C 13605913 VQTJTDJXYRNLSQ-UHFFFAOYSA-N 371.481 2.614 0 1 FFAF Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 169685429 WMJNGKAPGOFTSV-CZUORRHYSA-N 374.416 2.612 0 1 FFAF CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)C3)ncc1C(F)(F)F 169704577 LLBIWLGTMGAWGF-UHFFFAOYSA-N 367.331 2.875 0 1 FFAF COc1cccc2c1[C@@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 201362357 WWJVUMDJLROGLA-QVKFZJNVSA-N 360.498 2.672 0 1 FFAF O=C(O)c1ccc(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)cc1 1857566241 VUDDQKQSOKYPQR-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF CSc1nc(N)c2c(n1)N=C1COC(=O)[C@@H]1[C@H]2c1cccc(Cl)c1 1857598049 RSROVWGACPSMNX-MNOVXSKESA-N 360.826 2.825 0 1 FFAF Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc43)cnc2n1 3814848 VMBSXLVZCRYQJX-UHFFFAOYSA-N 355.405 2.827 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cc(F)ccc4C)C[C@H]3C2)n1 116822560 PVMOBCZNGPEPLG-HOTGVXAUSA-N 354.429 2.749 0 1 FFAF CCN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 26396755 DWMYNPYNEFTVSQ-ALOPSCKCSA-N 356.514 2.661 0 1 FFAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cncc(Br)c2)CC1 61898194 LYXSJTVDAHAWEE-LLVKDONJSA-N 355.232 2.650 0 3 FFAF CC(=O)NC(C)(C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 28001616 PXMGICCWARXCEM-UHFFFAOYSA-N 370.472 2.914 0 1 FFAF CCc1ccc(CN2CCc3nc(N4CCN(CC)CC4)ncc3C2)cc1 21262391 SOINRGJTGVIOBU-UHFFFAOYSA-N 365.525 2.739 0 1 FFAF CC(=O)Nc1ccc(OC(=O)NC[C@@H](O)COc2cc(C)cc(C)c2)cc1 27313737 NVHOBZGIZXOVNZ-QGZVFWFLSA-N 372.421 2.790 0 1 FFAF COc1cc(-c2oc3cc(OC)c(O)c(OC)c3c(=O)c2OC)ccc1O 14436911 ITKFKJSACQGVGT-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1ccc2cc(C(=O)NC[C@@H](F)c3ccccc3)c(=O)[nH]c2c1OC 72182387 RTTGKYVLNXUSQE-OAHLLOKOSA-N 370.380 2.986 0 1 FFAF O=C(O)C1CN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139096961 MSLMTQKFEUNANV-UHFFFAOYSA-N 363.377 2.928 0 1 FFAF O=C(CNC(=O)c1csc(Nc2ccccc2)n1)NCc1ccco1 82084833 SVPPTTMMAQZBML-UHFFFAOYSA-N 356.407 2.526 0 1 FFAF O=C1N2CCc3ccccc3[C@@H]2CS(=O)(=O)N1CCc1ccccc1 96019128 XZBFAVKQSJESKQ-SFHVURJKSA-N 356.447 2.594 0 3 FFAF Cc1cn(CCCCCOc2ccc(Br)cc2)c(=O)[nH]c1=O 96906980 GCIMNERHKSDFGZ-UHFFFAOYSA-N 367.243 2.857 0 1 FFAF CN1CCN(c2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)CC1 587137047 QGVMLHUZLKIPJA-UHFFFAOYSA-N 361.371 2.981 0 1 FFAF Cc1c(C)c2ccc(OCc3ccc4c(O)nc(O)nc4n3)cc2oc1=O 587563781 XEOLWYZXXQDFNW-UHFFFAOYSA-N 365.345 2.738 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(N)=O)c(Cl)c1)O2 587376145 QFADISDLQQQHCM-MRXNPFEDSA-N 360.797 2.801 0 1 FFAF CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755808 DGHNFIBCAGFIJL-UHFFFAOYSA-N 368.458 2.711 0 1 FFAF Cc1ccccc1-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 169706998 YNOMUTXMEMLQKW-OAHLLOKOSA-N 360.417 2.922 0 1 FFAF NC(=O)c1cc[n+](C/C=C/CN2C=C(Cl)C(=CN=O)C(Cl)=C2)cc1 1857538193 PDCFAKLOGXIFJN-OWOJBTEDSA-O 366.228 2.756 0 1 FFAF CC1CCN(C2CCN(S(=O)(=O)c3cnc(Cl)s3)CC2)CC1 1857589489 XWLNALVLJPMWLM-UHFFFAOYSA-N 363.936 2.682 0 1 FFAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C3CCC3)CCN21 2356303441 VFDKPOJEMTYJHC-LJQANCHMSA-N 356.514 2.529 0 1 FFAF Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1 3956120 BEIDZHABHGLWLP-UHFFFAOYSA-N 362.474 2.728 0 1 FFAF CS[C@H]1C(=O)N(C)C(=Cc2ccc(OCC=C(C)C)cc2)C(=O)N1C 2356449593 QXYMNBLAEDQYLV-IBGZPJMESA-N 360.479 2.992 0 1 FFAF COc1cc(CN2CCN(c3cc(=O)oc4ccccc34)CC2)ccc1O 103271657 MKRZYKATNYNRBC-UHFFFAOYSA-N 366.417 2.829 0 1 FFAF CC(C)NC[C@@H](O)COc1cccc2[nH]c(OC(=O)OC(C)C)cc12 28765734 CBTREASGCZEOTF-CYBMUJFWSA-N 350.415 2.829 0 1 FFAF COCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)OC)[C@@H]1C 66113530 RSVJFSYTDHCFMC-BPNCWPANSA-N 374.359 2.596 0 1 FFAF O=C1O[C@@H](COc2ccncn2)CN1c1ccc(C2=CCOCC2)c(F)c1 27413199 LOUYQWSKRGCWMP-OAHLLOKOSA-N 371.368 2.824 0 1 FFAF COc1cccc2c1CCC[C@H]2NCCN1CCN(c2ccccn2)CC1 22859272 WMEXYJKBXVWCOJ-HXUWFJFHSA-N 366.509 2.879 0 1 FFAF CCn1c(C(=O)NCCCN2CCOCC2)cc2sc(Cl)cc21 20355642 CLGNACJJIQWXSU-UHFFFAOYSA-N 355.891 2.828 0 1 FFAF N[C@H](Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 70719795 ZYUZLEUJKZZXNN-GOSISDBHSA-N 371.414 2.562 0 1 FFAF CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196300 HPYLGBCFMVLKMD-UHFFFAOYSA-N 350.422 2.613 0 1 FFAF C[C@H](O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147625322 BQYUENNAOOPWLR-LBPRGKRZSA-N 357.431 2.965 0 1 FFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 95794646 PCICMNIAJCHUED-VQTJNVASSA-N 372.415 2.526 0 1 FFAF NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccnc4nc(C5CC5)[nH]c14)(C3)C2 145345125 PZYULLZLYXQFGR-WFSAKUOBSA-N 351.454 2.615 0 1 FFAF N=C(N)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 299829444 VADIXMBKNYJACB-UHFFFAOYSA-N 351.498 2.659 0 1 FFAF CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1 653714156 GIXCAZJKYIVDFV-UHFFFAOYSA-N 350.179 2.770 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCCO)cc1)(C(C)(C)O)O2 587401768 YGNMOGBORDILDW-NRFANRHFSA-N 371.433 2.580 0 1 FFAF CS(=O)(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609435 VTGIEOWIFSASSY-VQIMIIECSA-N 374.414 2.547 0 1 FFAF COc1cc(-c2nc3cc(C)cnc3[nH]2)ccc1OCC(=O)NC(C)C 587222093 XVFOPGBLMYAKJG-UHFFFAOYSA-N 354.410 2.845 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 587398076 DWYVXSSMFJXONQ-LJQANCHMSA-N 374.437 2.691 0 1 FFAF C[C@H](Oc1ccc([C@]2(C)NCCc3nc4ccccn4c32)cc1)C(=O)O 962984590 DZBUWKJJGGTCQW-RBZFPXEDSA-N 351.406 2.595 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1ccc(Br)cn1)N[C@H](C(=O)O)C2 963511859 VMZWYTPZXASPJX-SWLSCSKDSA-N 363.211 2.546 0 1 FFAF COc1ccc2[nH]c(O)c([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2c1 962905331 DJQFBXGQXDDXSZ-DOTOQJQBSA-N 356.353 2.710 0 1 FFAF C(CNCC1CC1)CNC[C@H]1CCC[C@@H](CNCCCNCC2CC2)C1 5848524 OAZJCKNKDYTSSK-SZPZYZBQSA-N 364.622 2.751 0 1 FFAF CCO[C@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 13308661 PPRSMUWPTLLGMJ-MEJLYAIRSA-N 358.346 2.516 0 1 FFAF endogenous,in-man CC[C@@H](Nc1c(Nc2cccc(C(=O)O)c2O)c(=O)c1=O)c1ccc(C)o1 101278128 SEMSXLDTJIGAJA-LLVKDONJSA-N 370.361 2.895 0 1 FFAF OCCCNc1cncc(-c2ncnc(Nc3cccc(Cl)c3)n2)n1 3937625 YCIKQCSHPXFBJU-UHFFFAOYSA-N 357.805 2.520 0 1 FFAF Cn1cccc1C(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)C2 3956274 VSZLZVRAUNCALX-UHFFFAOYSA-N 370.428 2.934 0 1 FFAF Cc1ccc(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)cc1 8931957 DRMCHAQMRITHNZ-QFIPXVFZSA-N 357.413 2.988 0 1 FFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2CCc1ccc(Br)cc1 101668916 MYVMDLNNVMLPQJ-JQNZOFRKSA-N 358.279 2.752 0 1 FFAF CO[C@H]1CC[C@H](n2c(=O)c(Br)cc3c(C)nc(N)nc32)CC1 117704045 XMWHQYYATKFHEV-AOOOYVTPSA-N 367.247 2.575 0 1 FFAF N=C(N)NCCCCCCCCc1ccc(CCCCNC(=N)N)s1 28652721 INPYXFPZVMQFHN-UHFFFAOYSA-N 366.579 2.920 0 1 FFAF CO[C@@H]1C[C@]2(CC[C@]3(C)[C@@H]4CC[C@H]5C[C@@]4(CC[C@@H]23)C[C@@]5(O)CO)C(=O)O1 2356555098 JGJQQOVNDDCZBN-ZEVBYOGFSA-N 364.482 2.632 0 1 FFAF O=C(O)C[C@@H]1[C@H]2C=C[C@H]3C(c4ccc5c(c4)OCO5)=C[C@@H](O)[C@@H]4C[C@H]1[C@@H]2[C@@H]34 38825080 XYHDKVJBIKILGM-YYOYYVQASA-N 366.413 2.948 0 1 FFAF COc1cc2nncc(-c3ccc(N4CC(OC)C4)nc3)c2cc1OC 73310280 BLHQEMDKYWKCBU-UHFFFAOYSA-N 352.394 2.544 0 1 FFAF O=C(O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cc1 45188811 FPOGRJRXTQQVHF-UHFFFAOYSA-N 352.394 2.810 0 1 FFAF COc1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)N2CCOCC2)cc1 45356085 AQLBVBLFAUFECH-LJQANCHMSA-N 368.433 2.608 0 1 FFAF COc1cc(O)cc([C@H]2OC[C@H](Cc3ccc(O)c(OC)c3)[C@@H]2CO)c1 45350746 LXTUGFKNNBOQES-GZRFBZBPSA-N 360.406 2.654 0 1 FFAF COc1c2n(cc/c1=[O+]\C)-c1nc3ccc(OC(F)F)cc3n1SC2 98043959 MKKLIANODHXTFO-UHFFFAOYSA-N 366.369 2.973 0 1 FFAF in-man CC(=O)O[C@H]1C/C=C(\C)[C@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C 238740034 GOGQNNWYPKCAMI-CEOOJTDRSA-N 350.411 2.714 0 1 FFAF biogenic CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 96018979 IVBBYQLZNLZBGV-RXVVDRJESA-N 373.497 2.884 0 3 FFAF O=S1(=O)C[C@@H]2c3ccc(F)cc3CN2CN1Cc1ccc(F)cc1 263590509 NUNYGNDFKNINMY-QGZVFWFLSA-N 350.390 2.625 0 3 FFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 299880704 MSLDEDBADXHBHG-ZAAXVRCTSA-N 368.433 2.674 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccoc4)CC1)[C@@H](C2)C3=O 587437426 IHOPRBNNFMFOJJ-HNNXBMFYSA-N 353.374 2.711 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc3c(c2[nH]1)CCCC3 586931035 ZPSGQJXGYCSZCO-UHFFFAOYSA-N 371.462 2.977 0 1 FFAF C[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346168 LKMIQRYMXAJSFB-PEECDGGASA-N 355.365 2.785 0 1 FFAF COc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522043 DOSABQAXPKYLAR-OAQYLSRUSA-N 354.402 2.745 0 1 FFAF COC(=O)Cc1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC 587934432 FGUKUFDMGHGNBU-UHFFFAOYSA-N 372.421 2.765 0 1 FFAF O=C1O[C@@H](c2ccc(F)cc2)CN1c1cccc(OS(=O)(=O)O)c1 1772614232 MHRFLWXILAYKJW-CQSZACIVSA-N 353.327 2.705 0 1 FFAF CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(C3Cc4ccccc4C3)C2)o1 12573807 RISZFJDJPHIZIO-SFHVURJKSA-N 367.493 2.703 0 1 FFAF COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@H]32 13430665 HJAHCQDLTFWFQN-RZXSNQJFSA-N 356.466 2.939 0 1 FFAF biogenic CC(C)c1cccc(C(=O)O)c1SCCn1cnc2c1NC=NC[C@@H]2O 13807521 DVADQLJWEGAWJS-AWEZNQCLSA-N 374.466 2.984 0 1 FFAF C[C@H]1[C@@H](C)C(=O)c2ccc3c(c2[C@]1(O)c1ccc2c(c1)OCO2)OCO3 14447988 YQLKOOGRXMGOOT-QZXWKGOOSA-N 354.358 2.848 0 1 FFAF biogenic,in-vitro Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1 3049004 HQMGFFNHKVKVPD-INIZCTEOSA-N 363.889 2.696 0 3 FFAF COc1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 3905914 HOFGJNIUBPELBO-VPWXQRGCSA-N 352.390 2.662 0 1 FFAF CC[C@H](C)CO[C@@H]1C[C@H](CO)CCC=C(C)[C@H](O)[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356383299 IWFZPNVCTDXDMP-PZQJTPTRSA-N 354.487 2.695 0 1 FFAF COc1ccc(-c2nc3cnc(N(C)C)nc3n(-c3ccccc3)c2=O)cc1 4238738 ITIABQBZSCHTBC-UHFFFAOYSA-N 373.416 2.917 0 1 FFAF Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1 4296102 XFVQXEXVCJCDPZ-UHFFFAOYSA-N 352.419 2.845 0 3 FFAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356287158 DCJUSMHCVAOJFT-LNLFQRSKSA-N 372.465 2.955 0 1 FFAF c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CC2(COC2)C1 103298410 QWIOJEBVRFCITB-UHFFFAOYSA-N 355.526 2.626 0 1 FFAF C[C@@H]1CN(C=O)[C@H]2[C@@H]1CC[C@]13COC(=O)CC[C@]21C1=CCC[C@@H]1CCC3=O 28969656 PCJYGKKIPFQGPZ-BIOIKTAESA-N 371.477 2.882 0 1 FFAF C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC(=O)N2 66112004 RTOLOOMAEZHAIS-CBZIJGRNSA-N 365.451 2.593 0 1 FFAF O=C1C[C@@H]2c3c(cccc3CN1Cc1ccccc1Cl)C[C@@H](O)[C@H]2O 61949603 PTYORWCWINECHQ-MDYRTPRTSA-N 357.837 2.634 0 3 FFAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@@H]2[C@H]1O 2356497850 AXROAUMWRUGWDE-ULKFIECCSA-N 366.546 2.819 0 1 FFAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2)c1 116578484 NLLHQYIPOXHWGY-UHFFFAOYSA-N 363.389 2.785 0 1 FFAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2C[C@H]3[C@H]1[C@@H]([C@H](C)O)C2 2356733659 MPZAXUXGFQVJBO-CUNSUYQRSA-N 356.466 2.916 0 1 FFAF COc1c(O)cc2c(c1O)C(C)(C)O[C@H]1Cc3c(O)cc(O)cc3O[C@H]21 15149803 UEYVPAAGIXRIKF-WMLDXEAASA-N 360.362 2.828 0 1 FFAF biogenic COc1cc2oc(C)cc(=O)c2c2c1C[C@H](C)[C@@]1(C[C@@H](O)C[C@H](C)O1)O2 38422994 MHQCFVVDBXCFCK-SGWVQJQLSA-N 360.406 2.937 0 1 FFAF biogenic,in-vitro CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@H](O)OC4=O)C(=O)C[C@H]12 14859437 RCYGSCAXXOLSIX-RTXGADQUSA-N 360.406 2.716 0 1 FFAF biogenic Cn1nc([C@H]2CCCN2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 71995142 QBYAIKAHQCIFAM-LLVKDONJSA-N 367.375 2.562 0 1 FFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1ccccc1 82203371 AGLZEBWTGSBDMZ-UHFFFAOYSA-N 361.453 2.514 0 1 FFAF CC[C@@H]1C[C@@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40897704 MZMYOBYFXFJPSM-TZMCWYRMSA-N 352.822 2.701 0 1 FFAF Fc1ccc2c(c1)nc(N1CCN(CCc3cnc[nH]3)CC1)c1cccn12 45283597 DSYPQNCLZHZVKW-UHFFFAOYSA-N 364.428 2.714 0 1 FFAF CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 261173016 UEEMFRKYANTTEO-UHFFFAOYSA-N 371.412 2.512 0 1 FFAF COCCO[C@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867672 MDKPYPCQZPFFFD-SNVBAGLBSA-N 373.331 2.664 0 1 FFAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](C(=O)O)NC[C@H]41)-c1ccccc1C2=O 587097790 SWBIOXBPKYCERO-DUXSXAKTSA-N 356.381 2.992 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)ccnc3[nH]2)cc1 587228398 KSQPXFWOMNVRHU-UHFFFAOYSA-N 353.382 2.765 0 1 FFAF COc1cccc(-c2nc3cc(I)cnc3[nH]2)c1O 587786366 KYPYARKHTNUDLV-UHFFFAOYSA-N 367.146 2.944 0 1 FFAF O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)c1cccnc1 587552578 AARPHKFOJHNIDQ-UHFFFAOYSA-N 359.345 2.750 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587733 HLOAODISEKNVAD-KSSFIOAISA-N 366.329 2.605 0 1 FFAF O=C(O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966617 GHABVKQNXWJKRQ-UHFFFAOYSA-N 353.363 2.998 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNCC4)s1)[C@@H](C2)C3=O 587452733 UHEGVWWWKAPDML-ORAYPTAESA-N 356.447 2.655 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@H]1CCC3 587558865 UTONZLAPNINHAA-WBVHZDCISA-N 362.433 2.988 0 1 FFAF O=C(c1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1)N1CCCC1 587876574 UFDAMDQULUXFFH-UHFFFAOYSA-N 351.341 2.810 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@]3(C(=O)O)c1ccc(F)c(F)c1 963059019 RUEOGKVPSXDKDT-HXUWFJFHSA-N 370.355 2.996 0 1 FFAF Cc1cc(-c2nnc(CCC(=O)N(CC3CCC3)C[C@H]3CCCO3)o2)no1 11769861 PBTFSPVXGALCDV-OAHLLOKOSA-N 374.441 2.773 0 3 FFAF CN1C[C@@H]2C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1C2 13446471 XXWOCVWJOICKHA-DBVUQKKJSA-N 351.446 2.948 0 1 FFAF Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(CCc3ccccc3)CC1)[C@H]2O 13779262 PPHXECRMOFFCMH-CTNGQTDRSA-N 369.461 2.646 0 1 FFAF Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1 205256683 HWAQNGBXVSEQHM-UHFFFAOYSA-N 371.448 2.800 0 1 FFAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1cccs1 1857747627 SRAWFZIQRKSPBX-UHFFFAOYSA-N 350.201 2.943 0 1 FFAF CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12 591045 VNUFOKWSYSXHCN-LLVKDONJSA-N 362.480 2.855 0 1 FFAF NCCn1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 3927100 GHFZBISJZYICNU-UHFFFAOYSA-N 369.368 2.847 0 1 FFAF COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@H]2[C@H]1Nc1ccccc1N2C 4003435 IBBLLPWOXOMSSW-QYZOEREBSA-N 351.406 2.504 0 1 FFAF COc1cc(N[C@H](C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1 6717798 NSJWPTVJSCPBSB-CQSZACIVSA-N 356.470 2.992 0 1 FFAF COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 103200256 HSKFKYVDOPZTIM-SPLOXXLWSA-N 366.417 2.684 0 1 FFAF COc1ccc(CN(CCCCN)Cc2ccc(OC)c(O)c2)cc1O 27709701 PTRYXQBUJKTIAD-UHFFFAOYSA-N 360.454 2.856 0 1 FFAF Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O 29416595 SHZBBNNZNDBGLC-UHFFFAOYSA-N 362.433 2.989 0 1 FFAF Cc1nc([C@@H](O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)c(C)o1 26579597 LXHWQKGHZBSTEW-GRFABLRMSA-N 360.391 2.728 0 1 FFAF CCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27739061 RSKCDSJYHDNMMI-ZDUSSCGKSA-N 360.454 2.509 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5cccnc45)C[C@H]3C2)n1 116824256 YJTCYUPZJYYZLO-ROUUACIJSA-N 373.460 2.850 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1Cc3c(cc(OC)c(O)c3C=O)CN1CC2 14713288 AGSHWMNEBIWZNQ-KRWDZBQOSA-N 369.417 2.886 0 1 FFAF biogenic COc1cc([C@H]2Oc3c(OC)cc(C(C)=O)cc3[C@H]2CO)cc(OC)c1O 13305867 UKUDCHLJBHCTLX-AUUYWEPGSA-N 374.389 2.830 0 1 FFAF biogenic NC(=O)c1ccccc1-c1ccc(Cn2ccc3c2C(=O)NCCC3=O)cc1 72174877 JGUFEGIXQHIDMN-UHFFFAOYSA-N 373.412 2.619 0 1 FFAF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 82147183 ZJFRULFJXWEFLL-UHFFFAOYSA-N 354.454 2.819 0 1 FFAF COc1cc(O)cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1OC 14436544 QZADAOTXNROIKH-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(O)c3OC)oc2c1 14436502 ZRHJGHLGUZCYOO-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 45340206 PRQRXLGGRFSZQY-HKUPYCBJSA-N 372.808 2.951 0 1 FFAF CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@H](N)CO 98209195 NXVWIVNGDXWOCH-INRCJLNUSA-N 357.535 2.854 0 1 FFAF in-vitro COc1cc2c(cc1O)[C@@H](c1ccc3c(c1)OCO3)C1=C(C2)C(=O)OC1 85990824 QRTYFXLDISYXDF-LJQANCHMSA-N 352.342 2.671 0 1 FFAF biogenic O=[S@](CCCc1nc2cnncc2[nH]1)c1ccc(Br)cc1 586958535 FYDBSSIIWHSJCJ-OAQYLSRUSA-N 365.256 2.856 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587849786 NUMRTDFFKOUZGQ-LKFCYVNXSA-N 364.280 2.772 0 1 FFAF COC(=O)c1nnn(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC 587627498 ZACXVYSEHSSYKG-UHFFFAOYSA-N 362.773 2.592 0 1 FFAF O=C(O)CCc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O 587936461 CZIPUYXYXCBZKB-UHFFFAOYSA-N 368.345 2.666 0 1 FFAF COCCCn1nccc1[C@H]1NCCc2cc3cccc(OC)c3nc21 963058470 OZEFMNLGOUBIAW-HXUWFJFHSA-N 352.438 2.712 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccncc1)(c1ccc(N)cc1)NCC2 962931579 OKPKAOYNLRTXAX-QHCPKHFHSA-N 372.472 2.803 0 1 FFAF Clc1cc(Cl)c2c(c1)[C@H](c1cnc(N3CCOCC3)nc1)NCC2 963102770 FPJJFUPGNCPBAI-INIZCTEOSA-N 365.264 2.855 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CN2CCNCC2)(c2ccco2)N1 962957772 ZIFONELGPWPEMY-ZHRRBRCNSA-N 364.493 2.834 0 1 FFAF CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1cccc(F)c1 225935471 VCBONARXZAKCOR-UHFFFAOYSA-N 354.385 2.914 0 1 FFAF C[C@@H]1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O 1857546978 PIOCDECZIQSCFV-SFHVURJKSA-N 365.477 2.911 0 1 FFAF Cc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)c3nnnn3c2c1 4885569 WCEDSQDROYSLMW-UHFFFAOYSA-N 373.464 2.924 0 3 FFAF Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 4919591 BORIRVXEUZZYNK-MRXNPFEDSA-N 373.478 2.738 0 3 FFAF COCCCNC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C 8603140 DQHGBPSPFGBACX-UHFFFAOYSA-N 356.401 2.919 0 1 FFAF CN1CC[C@H](n2cc(S(=O)(=O)c3ccc(F)cc3)c3cccnc32)C1 28862217 LQWCCRCRJPTNGW-AWEZNQCLSA-N 359.426 2.885 0 1 FFAF O=C(O)c1cccc(-c2cn(-c3ccc4c(c3)cc(C(=O)O)n4O)nn2)c1 112931521 YVRWVKIHZCCCTD-UHFFFAOYSA-N 364.317 2.523 0 1 FFAF COc1ccc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)cc1O 14760218 TUXIKUQNFFNQOA-HZPDHXFCSA-N 372.417 2.992 0 1 FFAF biogenic C[C@H](F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 218591591 UECKJWCZXJBAJH-VHSXEESVSA-N 374.351 2.715 0 1 FFAF CCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c[nH]c(=O)c2o1 40499306 YQMRLYIRROICIC-UHFFFAOYSA-N 368.176 2.876 0 1 FFAF CCOc1ccc(CCNc2nc(N3CCN(CC)CC3)ncc2C)cc1 82202687 GXYDICFITQJYEY-UHFFFAOYSA-N 369.513 2.980 0 1 FFAF COc1nc2c(cc1C(=O)N1CCC1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143266386 JURBRSSREGIVGJ-QGZVFWFLSA-N 364.323 2.715 0 1 FFAF CCC[C@@H]1C[C@@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@@H]2O1 40835969 GYPXYJUUIBLXBA-DGFSRKRXSA-N 350.367 2.798 0 1 FFAF biogenic CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 587872451 NIEXHWBZNYOUGB-NVXWUHKLSA-N 359.401 2.591 0 1 FFAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650771 DGZLLPDGNVBUKQ-UHFFFAOYSA-N 361.423 2.632 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccc(N3CCOCC3)cc1)O2 587399998 NAPROJADRAPKAW-IBGZPJMESA-N 366.417 2.631 0 1 FFAF COc1ccc(-c2nc3cncnc3[nH]2)c(I)c1 587180704 XKYNCHPYCJQDPX-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 587168195 VDQSNZJSYMLAJI-JTQLQIEISA-N 374.401 2.855 0 1 FFAF O=C(c1ccc(Cl)nn1)c1c(CO)oc2cc(Br)cnc12 587276927 UQPRPCHTCBXAKV-UHFFFAOYSA-N 368.574 2.757 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccn1)([C@H](O)c1ccccn1)[C@@H](C2)C3=O 587436454 RIYYSHLYXLNMDQ-ITEAAPOESA-N 374.396 2.862 0 1 FFAF CC1=C(c2ccc3nc(C(F)(F)c4ccccn4)[nH]c3c2)NNC(=O)C1 587089351 BJDGEELGQAQVOZ-UHFFFAOYSA-N 355.348 2.854 0 1 FFAF O=C1CCc2cc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3cc2N1 587034246 FUGIWIPLKPAFGO-UHFFFAOYSA-N 366.446 2.928 0 1 FFAF COc1cc2c(cc1OC)[C@@](CS(C)(=O)=O)(C(C)(C)C)N(C)[C@@H](C)C2 962636082 VTRNHNPTRHYYGF-DJJJIMSYSA-N 369.527 2.866 0 1 FFAF CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2CCCC2=O)[C@@H]1O 13832174 LMSWPYMHSNJJFK-HIFRSBDPSA-N 352.228 2.696 0 1 FFAF CCCOc1cc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1 169694408 MKLBNTPTXBJOPP-AWEZNQCLSA-N 370.453 2.730 0 1 FFAF O=C(N[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166020054 BQLKIEAFUFXATC-SFHVURJKSA-N 351.406 2.753 0 1 FFAF O=C1O[C@H](c2cccc3c2OCO3)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 2356347942 SGWLAVZUOVBYOW-QRVDHSFSSA-N 368.341 2.746 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356302624 FPIIAJYCKSHSKV-LSDHHAIUSA-N 372.469 2.945 0 1 FFAF CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccoc1 28235021 FDJDDQYMRSNPKW-UHFFFAOYSA-N 351.834 2.776 0 1 FFAF CC=C1CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@H]2C[C@H]1[C@H]4C(=O)OC 2356616589 YNZQTHCMRFWODK-IIERAYBDSA-N 368.477 2.595 0 1 FFAF CC=C1CN2CC[C@@]34C(=Nc5cc(OC)ccc53)[C@H]2C[C@H]1[C@@H]4C(=O)OC 2356686495 ILYYHCVJSYAYRI-HAXDFEGKSA-N 352.434 2.862 0 1 FFAF N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1ccc(Oc2ccccc2)cc1 2356863532 URIBLDHSENNEEW-ZJPYXAASSA-N 356.378 2.521 0 1 FFAF COc1cc(CNc2nc(N3CCSCC3)ncc2C)cc(OC)c1 82202819 YLFYKNIFIKLYLS-UHFFFAOYSA-N 360.483 2.968 0 1 FFAF Cc1cccc(C)c1NC(=O)[C@H](C)NC(=O)C1=CC(C)(C)N([O])C1(C)C 198861284 YVDBDENJGCDGFY-AWEZNQCLSA-N 358.462 2.891 0 1 FFAF CCN1CCN(c2ncc(C)c(N[C@@H](C)[C@H]3CCC[C@H](OC)C3)n2)CC1 82202674 JPVIQWFSMNSFQB-BZSNNMDCSA-N 361.534 2.933 0 1 FFAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CO)c21 40423311 QHRXZUMETMHYMU-UHFFFAOYSA-N 372.380 2.984 0 1 FFAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCNC(C)=O 82179368 FQNAHGZZUMJJDF-UHFFFAOYSA-N 366.469 2.835 0 1 FFAF CC[C@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H]3OC(=O)[C@@H]1[C@@]32C 95913583 IRRGZHQOVQRPSV-JSBVUFOHSA-N 362.422 2.548 0 1 FFAF biogenic,in-vitro C/C=C/c1ccc([C@@H]2[C@@H](CN(CCC)C(C)=O)N(C(C)=O)[C@H]2CO)cc1 95895482 GVXOCTNGJVSBKO-BLYYOLSLSA-N 358.482 2.653 0 1 FFAF Nc1nc2c(c(OCC3CCCCC3)n1)NC(=O)[C@H](Cc1ccccc1)N2 95560445 BARYHGGTGMKDLK-HNNXBMFYSA-N 367.453 2.993 0 1 FFAF NS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1 147776618 KPOFRWYZAASAIZ-PMACEKPBSA-N 372.490 2.865 0 1 FFAF O=c1[nH]c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCC3)c2)cs1 263620872 PBWTZCXFWIEPCV-UHFFFAOYSA-N 358.872 2.978 0 1 FFAF in-vitro O=[S@](Cc1nc2ccc(I)cc2[nH]1)CC1CC1 586960125 SLCLFBUORTUQPN-KRWDZBQOSA-N 360.220 2.826 0 1 FFAF COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nn1 587868754 SEJLJLGBNMADFD-UHFFFAOYSA-N 351.288 2.760 0 1 FFAF C=C(C(=O)O)c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O 587946546 WEOJURMSOYVAFM-LBPRGKRZSA-N 354.265 2.619 0 1 FFAF Oc1nc(O)c2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 587137773 KPFXZQZDUIKUEF-UHFFFAOYSA-N 359.542 2.986 0 1 FFAF CN(Cc1nc2cc(Cl)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928936 OQEJZUNYTROTBZ-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF CCC[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C 587956290 QRKMMQRIGYTYFZ-QGZVFWFLSA-N 372.513 2.853 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(NC(C)=O)c12 1772575706 QZIOQEWNLGRRGO-SNVBAGLBSA-N 368.397 2.808 0 1 FFAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccnc2)C1=O 1857541924 XMHDSSGOIGKARI-SFHVURJKSA-N 365.477 2.911 0 1 FFAF N=C1NCCN1CCCC[C@H]1CNC(=N)N1CCCCC1CCCCC1 1857752922 JUHWSNCGVJQMHP-SFHVURJKSA-N 362.566 2.956 0 1 FFAF CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 4533546 VJNLGMWQPLGEQF-MSOLQXFVSA-N 370.449 2.996 0 1 FFAF COCCNC(=O)[C@H]1CCCN(C(=O)c2csc3ccccc23)CC1 61904805 KWZCIDPUIDOTKM-AWEZNQCLSA-N 360.479 2.906 0 3 FFAF COc1cc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc2c1OCO2 116828985 PSDNQBQDZMNVKM-AWEZNQCLSA-N 352.350 2.571 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 2356549109 RHQQHZQUAMFINJ-WDCGTRPVSA-N 350.499 2.538 0 1 FFAF CCn1c(=O)c2cnc3c(OC)cc(F)cc3c2n(C2CCCC2)c1=O 117797984 JZFDIZGFYOAGNF-UHFFFAOYSA-N 357.385 2.994 0 1 FFAF O[C@@H](CO[C@H]1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1 219723028 LEPMATVZPMPFLC-PKTZIBPZSA-N 366.505 2.697 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](C)CC[C@@H]2C1 40641240 IIRJNAAFTIUJOX-YNEHKIRRSA-N 351.878 2.924 0 1 FFAF CCOC(=O)CC[C@H](COC(C)=O)c1ccc(OC(C)=O)c(OC)c1 238753545 UNBDMQZMNMPJLL-OAHLLOKOSA-N 352.383 2.611 0 1 FFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(Cl)ccn1 95575099 PZPSERSCCGRYEF-ZWKOTPCHSA-N 356.857 2.565 0 1 FFAF C[C@H](O)[C@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([C@H](C)O)C3)cc2)C1 253693707 KNEWNBNAHYOQNG-YHDSQAASSA-N 360.542 2.872 0 1 FFAF CC(=O)NCCc1ccc(O[C@H]2C[C@H](O)CO2)cc1-c1cccc(F)c1 653740451 NLXKBIYQZXLZCE-PXNSSMCTSA-N 359.397 2.657 0 1 FFAF CC(=O)N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 587205774 FFLGZDMARLAUQI-GFCCVEGCSA-N 374.242 2.795 0 1 FFAF COCCOc1ccccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963014765 AHDDETRPUWBSJQ-SPLOXXLWSA-N 352.434 2.855 0 1 FFAF O=S1(=O)CCC[C@@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962709693 OUFRQMNYOLYJEM-SUMWQHHRSA-N 355.500 2.593 0 1 FFAF COc1ccc(CN2[C@@H](CC(=O)O)c3cc(F)ccc3S2(=O)=O)cc1 12478969 CAEAAXPSYFUVJL-HNNXBMFYSA-N 365.382 2.555 0 3 FFAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cn1)C(N)=O 13214638 KJOUYZYFLMUPBB-KRWDZBQOSA-N 371.437 2.582 0 1 FFAF O=C1Nc2ccc(Br)cc2/C1=C/c1[nH]cc2c1CCOC2=O 13490192 NRXJRPGNKFISAO-WDZFZDKYSA-N 359.179 2.983 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 167145871 YQVVLIJZBFRWRE-IRXDYDNUSA-N 366.465 2.619 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@]1(c2ccccc2)COCCO1 1857539426 HMEASZSDPGDKQU-NRFANRHFSA-N 373.449 2.615 0 1 FFAF N#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3cccc4[nH]ncc34)cn2)C1 1857589123 RVKTZBJWSPPHBX-LJQANCHMSA-N 364.384 2.849 0 1 FFAF Cc1nc2c(C)cccn2c1C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1857604049 OQWUZJXFCSVGRB-LJQANCHMSA-N 366.446 2.870 0 1 FFAF C[C@@H](N=c1nc(-c2cccc(Cl)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857649810 GTMXNXATSGQGCH-GHMZBOCLSA-N 358.877 2.852 0 1 FFAF C[C@@H](NC1CCCCC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857747934 AVIZBGJKRFLQPN-FZKQIMNGSA-N 350.413 2.755 0 1 FFAF CCOP(=O)(CCC[C@@H](O)CNc1cc(Cl)nc(N)n1)OCC 1645802 MZOMXNMWTHRVCH-SNVBAGLBSA-N 366.786 2.531 0 1 FFAF CCOC(=O)Nc1cc2c(c(N)n1)N[C@H](CN(C)c1ccccc1)CN2 2030593 JPRNYYRJWRLWGZ-LBPRGKRZSA-N 356.430 2.575 0 1 FFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 3906722 FHZKAOIKBMOIBL-GASCZTMLSA-N 371.481 2.893 0 3 FFAF CCOc1ccc2nc(NC3=NC[C@]4(CN5CCC4CC5)O3)sc2c1 114086947 DYYIGENAVULQMH-GOSISDBHSA-N 358.467 2.958 0 1 FFAF Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC(F)F)c12 118825501 QEFZCVYPLFFKAK-UHFFFAOYSA-N 365.365 2.881 0 1 FFAF COCCNc1nc(-c2ccc3nc(C)oc3c2)cc2ncn(C)c(=O)c12 115625062 GRMRVJUTXDRZEY-UHFFFAOYSA-N 365.393 2.503 0 1 FFAF CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 115091006 FUHAANUNQWUCBT-OAHLLOKOSA-N 373.363 2.640 0 1 FFAF C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC(c2cc(=O)[nH]cn2)CC1 23310532 FZJJFKBXQUGHTQ-CQSZACIVSA-N 355.438 2.557 0 1 FFAF CCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@@H]2[C@H]1C 2356663672 QJUKURZOKSVYNB-ASURLCBNSA-N 366.454 2.691 0 1 FFAF O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1cccc2c1OCO2 2356730737 DZQIOXLVCCKALJ-CQSZACIVSA-N 352.342 2.943 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H](O)C=C[C@H]1C 2356808795 AKEHVDXXBSMJCT-SECKQSMSSA-N 354.487 2.740 0 1 FFAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1 40430676 SENFEQVLOFSJFU-UHFFFAOYSA-N 362.359 2.974 0 1 FFAF O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1-c1ccccc1 82231644 VZSFNTFANKNHAM-OAHLLOKOSA-N 350.422 2.726 0 1 FFAF CC1=NCC=C1c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175483 BBKFNQMBJLFQPL-UHFFFAOYSA-N 373.420 2.832 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cn1 587154783 DWZXRWZGIPARQR-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF COc1ncnc(N)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743384 DOVLJZYIHDERFP-WPPNPWJKSA-N 367.222 2.593 0 1 FFAF CCN=c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587567921 ARYGEEBXPOPKKN-QFBILLFUSA-N 363.373 2.739 0 1 FFAF N=c1nc(O)c2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2[nH]1 587123844 UWRGHVBWFBBQPS-UHFFFAOYSA-N 371.344 2.803 0 1 FFAF CC[C@H](C)n1ncc(I)c1-c1nc2cnncc2[nH]1 587180204 DZJLEBBZJLPMRI-ZETCQYMHSA-N 368.182 2.792 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C2)C3=O 587434889 CKLYQDZUUKKUQR-RBZFPXEDSA-N 373.405 2.739 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCN(C)CC1)CC2=O 587475217 NIZJRLXEQXWTMI-IBGZPJMESA-N 360.498 2.952 0 1 FFAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587250690 WRWKUKUHSKMSHG-UHFFFAOYSA-N 351.341 2.759 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587858456 QUUMKQRYUQKKBO-AFEMSUNCSA-N 374.275 2.996 0 1 FFAF C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ncco1 1772584637 YNMJGONRZKCIGL-MRVPVSSYSA-N 352.730 2.851 0 1 FFAF CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(-c2ccncc2)cs1 13553337 UYDIYULQCHOZFA-UHFFFAOYSA-N 374.466 2.799 0 1 FFAF COc1ccc2c(c1)CCN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)C2 169711717 PSRFQVGJFPAKQT-INIZCTEOSA-N 365.437 2.508 0 1 FFAF C[C@H](O)CNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 1656560 GMLUKWBSFRTUCR-VIFPVBQESA-N 355.316 2.563 0 1 FFAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@H]31 103752637 DJBZJHHPGHHHCA-JVPBZIDWSA-N 364.449 2.938 0 3 FFAF CC(C)CNC(=O)c1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c(Cl)c1 28767902 BMGOQEXYMZQIGL-XJKSGUPXSA-N 356.894 2.852 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356557686 XNRNNGPBEPRNAR-JNIAIEOXSA-N 370.486 2.769 0 1 FFAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1CC(=O)CCN1C2=O 116942699 JPQHWVMPDWHADQ-HNNXBMFYSA-N 350.378 2.894 0 1 FFAF Oc1cccc(-c2cc(N3CCOCC3)nc(NCc3cccnc3)n2)c1 66252061 RQJBZSVRPMJKHN-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)Nc1ccccc1 2356874889 ZWFRJVDUCDXHKM-LMMKCTJWSA-N 358.555 2.779 0 1 FFAF O=CN1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1 38391741 LUMQCGDNXRKUGI-UHFFFAOYSA-N 364.474 2.983 0 1 FFAF COc1c(O)cc2c(c1OC)-c1c(OC)c(O)cc3c1[C@@H](CC2)NCC3 14645585 QOKTUZPLWRGZSC-GFCCVEGCSA-N 357.406 2.924 0 1 FFAF biogenic Cn1c(-c2ccc3nccnc3c2)c(-c2ccc3nonc3c2)c(=O)n1C 45340279 AQANLXRKJQOOTJ-UHFFFAOYSA-N 358.361 2.537 0 1 FFAF CCOP(=O)(OCC)[C@H](O)c1cc2ccc(C)cc2n2nnnc12 49112161 OSLNVKVNARKYTN-HNNXBMFYSA-N 350.315 2.843 0 1 FFAF O=C(Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@@H](O)CO 95575433 OATWERQKYPGQRR-SFHVURJKSA-N 368.364 2.972 0 1 FFAF NCCCN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1 238737747 POBUQFSWSYYCOJ-UHFFFAOYSA-N 353.466 2.688 0 1 FFAF O=C(NC[C@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261127438 KMNXWUHUDOLURT-LLVKDONJSA-N 355.373 2.922 0 1 FFAF COC(=O)c1cncc2c1C[C@@H]1c3[nH]c4ccccc4c3CCN1C[C@@H]2O 86041440 ZPOUUMSSFPBHFP-MOPGFXCFSA-N 363.417 2.538 0 1 FFAF biogenic Cc1ccc(CN2C[C@H]3OCCN(CC4CCOCC4)C[C@@H]3C2)s1 299842357 NERDKHIYQZZMPR-IEBWSBKVSA-N 350.528 2.616 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)([C@H]1CCCN(C)C1=O)O2 587396469 SOUFHAMFXIEGGI-KKSFZXQISA-N 365.433 2.701 0 1 FFAF COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587788062 ZSNGXPZMVYPQEH-MRVPVSSYSA-N 364.345 2.598 0 1 FFAF C[C@]1(C2CCN(CC(F)(F)F)CC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890010 AJNLFVSNKGHXNE-DOTOQJQBSA-N 374.378 2.914 0 1 FFAF CN(C)c1nc(O)c(-c2nc3ccccc3s2)c(N[C@@H]2CCCNC2)n1 1772582114 OWUAGOUFIVAHSQ-LLVKDONJSA-N 370.482 2.689 0 1 FFAF CCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CC)cc1 13441893 KMJDTHZMYNAABI-KRWDZBQOSA-N 352.500 2.709 0 1 FFAF Cc1cc(Cl)cc2c1NC(=O)/C2=C\Nc1ccc(S(N)(=O)=O)cc1 13470475 GHCLWQROWPRZIK-ZSOIEALJSA-N 363.826 2.701 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cncnc3)c(F)c2)C(=O)O1 13648811 FWTAGNYVUNIFSE-RDHQTGFHSA-N 374.347 2.545 0 1 FFAF Cc1ccc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2c1 13878705 KMEUEBWEEAXJNW-UHFFFAOYSA-N 373.412 2.859 0 3 FFAF CCn1nccc1Oc1cc(CC2CCOCC2)cnc1NC(=O)NC 206929825 NLQRZZOZBUYIOK-UHFFFAOYSA-N 359.430 2.811 0 1 FFAF CCOC(=O)c1cc2c3c(c(C(C)=O)c(OC)c2[nH]1)N(C(=O)CC)CC3 1653960 UXTVUOTZRNUCSV-UHFFFAOYSA-N 358.394 2.855 0 1 FFAF CCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215046 MWUVJWIHDRHCFX-OCCSQVGLSA-N 354.838 2.995 0 1 FFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356289205 RGSGFNKWHNQFME-WTGUMLROSA-N 369.509 2.680 0 1 FFAF COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1O 58592320 HXNHQQOWMVTWCL-UHFFFAOYSA-N 371.393 2.733 0 1 FFAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccco1 100276038 QVKBSDQFAPAQBF-SJORKVTESA-N 365.341 2.730 0 1 FFAF O=C(Nc1cccnn1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1 114003445 LIPUUWBEFCDHSI-UHFFFAOYSA-N 365.368 2.973 0 1 FFAF COc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)(C)F)c2=O)cn1 117711707 AFDAULPSKXLCAX-UHFFFAOYSA-N 357.389 2.501 0 1 FFAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1O 28825540 QKLBZUPEFOPJFB-ZDUSSCGKSA-N 358.394 2.865 0 1 FFAF CC(C)=C[C@@H]1OC(=O)C(=CC[C@H](O)C(C)=CCCC(C)=CCO)[C@@H]1O 2356522890 XTDIHRJVDHZHKP-FHWLQOOXSA-N 350.455 2.581 0 1 FFAF Cn1cc(-c2cnn3c(N)c(Br)c(-c4cccnc4)nc23)cn1 66100799 HIVMHIQACKWODA-UHFFFAOYSA-N 370.214 2.537 0 1 FFAF COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)c(OC)c1OC 14437399 RSWPCULQTUMNPL-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCNCC2)CC1 49069837 YDBDNXXYPHECLD-UHFFFAOYSA-N 362.493 2.574 0 1 FFAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95874733 XYCHWFJUQDPBHN-BHDDXSALSA-N 365.477 2.520 0 1 FFAF CC(C)C[C@@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 95898393 PJFGCUVPYCUKFQ-ZWKOTPCHSA-N 356.470 2.588 0 1 FFAF CC(=O)Nc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 261181984 WHKHUSATVXGVFH-UHFFFAOYSA-N 354.454 2.631 0 1 FFAF Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)nc1 473170736 MQQOEAZYKORRJD-SZVBFZGTSA-N 374.448 2.828 0 1 FFAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587108894 HZWURBSBLFJFIO-UHFFFAOYSA-N 374.282 2.923 0 1 FFAF Nc1cc(F)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1N 587135661 AMBAZGYLDBTMNO-UHFFFAOYSA-N 374.319 2.827 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)O2 587403568 IRQXXWYQNQYXIH-NVRDXRHMSA-N 371.433 2.697 0 1 FFAF CC1=C(c2ccc3nc(CCc4ccc(C)c(N)c4)[nH]c3c2)NNC(=O)C1 587250539 LJODBXLTMDPKPO-UHFFFAOYSA-N 361.449 2.994 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586945669 LEZOZXDRRRIATH-UHFFFAOYSA-N 362.455 2.873 0 1 FFAF Cn1ncc2c(NCCn3cccn3)nc(Nc3ccc(F)c(F)c3)nc21 1772588584 FQDLQZRNHHICKN-UHFFFAOYSA-N 370.367 2.694 0 1 FFAF COc1cc([C@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772586879 FLHMFQZNJJPWBH-BUHJVKOASA-N 364.438 2.621 0 1 FFAF CN(C)C[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5848722 QTMADRQVOXAJAJ-LBPRGKRZSA-N 373.428 2.562 0 1 FFAF C[C@@H](CN1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1)c1ccccc1 14992420 JXJZWZRJDNQKPT-KRWDZBQOSA-N 367.497 2.955 0 1 FFAF Cc1ccc2c(c1)N(CC(=O)N1CCCC[C@H]1c1cccnc1)C(=O)CO2 1328679 RUNQLAQIGYOBGP-KRWDZBQOSA-N 365.433 2.869 0 3 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049497 KXCNGHBAKLLPMA-DOTOQJQBSA-N 362.788 2.679 0 1 FFAF CCO/C(O)=C1\SC[C@@H](C(=O)NCc2ccc(OC)cc2)N=C1C 103899844 FXIIKFRDCBJLHT-MBUFOBGISA-N 350.440 2.651 0 1 FFAF CC[C@@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356498285 PQNOCJMPOHKMIT-SNENTHPKSA-N 364.526 2.927 0 1 FFAF COC1=C(OC(=O)CCc2ccc(O)c(OC)c2)C=C[C@H](/C=C/C(=O)O)C1 70455499 LYEAOBNLWKEIBD-VZUFXWRPSA-N 374.389 2.952 0 1 FFAF biogenic,in-vitro COc1c(O)c2c(c(OC)c1OC)OC[C@H](Cc1ccc(O)cc1)C2=O 14758460 SZCVKSHTEKEQNX-NSHDSACASA-N 360.362 2.558 0 1 FFAF biogenic O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccc(F)c1 40639894 PGDHKRYSZHNTQA-CTNGQTDRSA-N 355.409 2.699 0 1 FFAF COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)Nc1c(C)cccc1C 95600916 IYCRYGSQMAYJEY-HXUWFJFHSA-N 368.433 2.851 0 3 FFAF CC1=C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 238752448 BDYVYNKEWLPLCY-OAWVJBTQSA-N 355.478 2.510 0 1 FFAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 299883980 SHXDZTNHAUJFPI-YQQAZPJKSA-N 362.813 2.912 0 1 FFAF CCNc1nc(-c2cccnc2)c(-c2ccnc(N3CCOCC3)n2)s1 299849425 LMYIVDBVYKYMLX-UHFFFAOYSA-N 368.466 2.931 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 586958076 CYSHJUAXVFULRL-OAQYLSRUSA-N 371.256 2.771 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586924850 BMUXKBITYRWFJX-UHFFFAOYSA-N 368.418 2.658 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncoc1C 587867313 BAZRGSDALOWHER-UHFFFAOYSA-N 352.272 2.957 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCNCC1)[C@@H](C2)C3=O 587445620 XASBKFNVSBSALC-HRAATJIYSA-N 350.418 2.594 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 587392034 QKNXJGJTHZQKQZ-NRFANRHFSA-N 362.385 2.887 0 1 FFAF CSc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958830 LTFCPTWNXLTWFZ-INIZCTEOSA-N 363.464 2.754 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2ccccn2)(c2cccnc2)N1 962906959 RUIHHUXJHXYKKW-GHTZIAJQSA-N 363.392 2.701 0 1 FFAF Cn1ncnc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950961 FGPUDLVXQCYYAU-CQSZACIVSA-N 352.360 2.575 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)N1 962953397 RBHZEDWAALJGGM-DAXOMENPSA-N 370.449 2.660 0 1 FFAF Nc1n[nH]c2cc(NC(=O)C[C@H](COC(F)F)c3ccccc3)ncc12 1772608948 SOTLBWHGNHPLIH-LLVKDONJSA-N 361.352 2.892 0 1 FFAF COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4CC1)[C@@H]32 13430694 CGBORLREKLCHSI-UVUJQTEASA-N 368.477 2.871 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1CCCOC 4878213 QALQETXRGNVLAF-AWEZNQCLSA-N 354.520 2.760 0 3 FFAF CC(C)c1cc(C(=O)N2Cc3ccc(OCCN)cc3C2)c(O)cc1O 58547931 AOPZUOIZRHXLCT-UHFFFAOYSA-N 356.422 2.715 0 1 FFAF O=c1cc(CN2CCN(C3=CC=C[CH]N3)CC2)c2cc3c(cc2o1)CCC3 2356841585 PHEPGJYGJXJXES-UHFFFAOYSA-N 362.453 2.562 0 1 FFAF O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@H]1Cc2ccccc2[C@H]1O 219767473 FOYUBKLLRBTZJV-SWLSCSKDSA-N 359.336 2.675 0 1 FFAF Cc1nc(NC(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 49772270 RZVFWRLKVGAGRP-UHFFFAOYSA-N 366.454 2.981 0 1 FFAF COCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1 1911570829 QSKDUBPOWRDQFC-JTQLQIEISA-N 350.768 2.948 0 1 FFAF O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 40938619 GPZACUUECXJTSU-UHFFFAOYSA-N 363.373 2.958 0 1 FFAF CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82214896 OKFRYSTUVZJSRK-UHFFFAOYSA-N 358.417 2.649 0 1 FFAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CCNC(C)=O 82221847 GRRNYJZONRHCMC-UHFFFAOYSA-N 370.432 2.666 0 1 FFAF CCN1CC[C@@]2(CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 587767233 JHDYAJHMACWZPB-HWPZZCPQSA-N 355.251 2.960 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 587232985 HBVMPVJAISPKMY-JQWIXIFHSA-N 360.414 2.905 0 1 FFAF NC(=O)NCCC[C@H](N)c1nc2cccc(OCc3ccccc3)c2[nH]1 587260375 UWFHQOUUHIGVAL-AWEZNQCLSA-N 353.426 2.590 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 587398074 DWYVXSSMFJXONQ-IBGZPJMESA-N 374.437 2.691 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1ccc(Cc3ccc[nH]3)[nH]1)N[C@H](C(=O)O)C2 963466641 DIEXNTZTMRACKD-QFBILLFUSA-N 351.406 2.636 0 1 FFAF COc1cc(C(=O)N[C@@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772640117 VUKPYAYVXNDTIK-INIZCTEOSA-N 373.359 2.827 0 1 FFAF NC(=O)c1c[nH]c2ccc(-c3cccnc3)c(F)c2c1=NC1CCOCC1 1857586607 GSQOKOLEAZWSAN-UHFFFAOYSA-N 366.396 2.548 0 1 FFAF C[C@@H]1CN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857646654 LWBGFYMVAIWBQD-RISCZKNCSA-N 359.376 2.847 0 1 FFAF Cn1nc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1857655663 HDPPNVMTCSUPRG-UHFFFAOYSA-N 354.210 2.811 0 1 FFAF O=C1NCC(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccc(Cl)cc1 1911579465 FAJVQZCHZSFLEU-QFBILLFUSA-N 365.820 2.794 0 1 FFAF COC(=O)Cc1ccc(OCCCOc2cc3c(cc2O)CCO3)cc1 25972756 IDVWWCDSZNDIFO-UHFFFAOYSA-N 358.390 2.891 0 1 FFAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C2=C(C(=O)OC2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356466994 ZRLPTLKSJBPDJA-NNFUDEMPSA-N 350.411 2.549 0 1 FFAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@@H]3[C@H]1C[C@@H]25 2356675418 UWJUSKOAJYNKFW-VZMINFDFSA-N 366.417 2.774 0 1 FFAF Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(C(=O)O)c(O)c(C)c1O2 2356728891 WVMRVEAYOUDGPV-UHFFFAOYSA-N 358.302 2.859 0 1 FFAF COC(=O)C1=CC(O)=C[C@H]2Oc3c(Cl)c(C)cc(OC)c3C(=O)[C@H]12 2356785333 ABJKRTDKXKNJPX-VXGBXAGGSA-N 350.754 2.772 0 1 FFAF c1ccc(COc2ncnc3c2ncn3CCCNC[C@@H]2CCCO2)cc1 61936003 GDEKUIZGBXTHAQ-KRWDZBQOSA-N 367.453 2.564 0 3 FFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCNC[C@H]1CCc2ccccc2O1 73277194 ZWHWNKJCWDLNRI-MSOLQXFVSA-N 371.481 2.567 0 1 FFAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(Br)cc1 73197807 JQYCAXKJYGOWFM-UHFFFAOYSA-N 358.261 2.625 0 1 FFAF COC(=O)[C@@]1(Cc2ccc3c(c2)OCO3)CC(=O)O[C@@H]1c1ccccc1 73159499 HEBMYUZMCADJTM-QUCCMNQESA-N 354.358 2.805 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CNC1CCCC1 85547849 DULRAFVTZYWWOW-JXGGLGGMSA-N 352.478 2.692 0 1 FFAF biogenic,in-vitro COC(=O)[C@H]1CC[C@@]2(C)[C@H]([C@@H]3C=C[C@@]2(O)C(=O)O3)[C@@]1(C)/C=C/c1ccoc1 238751492 WGJYPUWQDZUODK-FRJRPIILSA-N 372.417 2.731 0 1 FFAF C[C@H](C(=O)N[C@@H](CO)c1ccc(OC[C@@H]2CCO2)cc1)c1ccccc1 299869504 UUOMXEMSTHLAMF-YSSFQJQWSA-N 355.434 2.808 0 1 FFAF COc1ccc(NC(=O)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cn1 587874216 XOUDJGVYKZOEHQ-UHFFFAOYSA-N 354.297 2.477 0 1 FFAF CC[C@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757758 HREXDKZEGHHDCO-PSLIRLAXSA-N 353.239 2.905 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586929620 GBYBDOCETBRWII-UHFFFAOYSA-N 373.331 2.552 0 1 FFAF COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587440920 BWZPQRVOCGRIFY-JLTOFOAXSA-N 354.358 2.850 0 1 FFAF CC(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586924916 CLNSYWXQFDLRTR-UHFFFAOYSA-N 370.430 2.985 0 1 FFAF COc1nccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587117496 CNFCFLVTHSLPFB-UHFFFAOYSA-N 364.287 2.885 0 1 FFAF CC1=C(c2ccc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3c2)NNC(=O)C1 587135037 QRJBTLQCRIKKMF-UHFFFAOYSA-N 355.348 2.846 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705374 NIIXGTUTBZXZNU-ROIUPPMCSA-N 372.362 2.895 0 1 FFAF CCNC(=O)c1cc2c(N3CCOC[C@H]3c3ccccc3)ccnc2[nH]1 1772607549 TXRIWQYJMOSHJN-SFHVURJKSA-N 350.422 2.891 0 1 FFAF Cn1cc(-c2cc3c(-c4ccnc(N5CCCCC5)n4)n[nH]c3cn2)cn1 205262827 ORMFVHRDHCRBQI-UHFFFAOYSA-N 360.425 2.806 0 1 FFAF CCC[C@H](C)NC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)cnc1N 1857585584 CHSWMOQRVPTUPS-NSHDSACASA-N 374.441 2.670 0 1 FFAF Cc1ccsc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N12 1857655861 POJXWUVSAINFTF-QAPCUYQASA-N 365.458 2.853 0 1 FFAF COc1cc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc(OC)c1OC 1857745282 WDYJMZVGLKPSLQ-ZNFPLGDCSA-N 357.406 2.575 0 1 FFAF Oc1cccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNC4CCC4)O3)no2)c1 2356354602 NHZYBQCZLBEHSO-NSHGMRRFSA-N 358.438 2.640 0 1 FFAF C[C@H]1CCC[C@H](NC(=O)CSc2nnc(C(F)(F)F)n2C)[C@@H]1C 6949357 FMQMXAVVJOLGSI-AEJSXWLSSA-N 350.410 2.867 0 1 FFAF CN(C)CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 20985617 FZYRWUXHSRTYQJ-UHFFFAOYSA-N 359.495 2.543 0 1 FFAF Cc1nc2sc3c(c2c(N)c1C(=O)OCC1CC1)CCC1(C3)OCCO1 26499276 DOOGDICMBOTQOZ-UHFFFAOYSA-N 374.462 2.986 0 1 FFAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]21 2356821761 GELZMWSFAYTMRI-ZWVMISQRSA-N 368.477 2.956 0 1 FFAF Cc1cc(/C=C/C(=O)O)cc(C)c1NC(=O)c1cccc(NC(=N)N)c1 29250542 ZRJWCMMGIIGFRZ-VOTSOKGWSA-N 352.394 2.959 0 1 FFAF CCN(CC)C(=O)c1ncn(Cc2ccccc2)c1C(=O)N(CC)CC 36388605 FWZDWJPGFTUHJE-UHFFFAOYSA-N 356.470 2.895 0 3 FFAF CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O 36348935 OJNYWHSZTYNGPE-UHFFFAOYSA-N 356.860 2.939 0 1 FFAF CC(C)S(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72100806 AOYBYDSYSKBPHT-AWEZNQCLSA-N 359.373 2.913 0 1 FFAF COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2ccccc12 84615617 ZVLXXCDQNWDEKK-UHFFFAOYSA-N 363.417 2.568 0 1 FFAF CCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 96273908 UZCDUNNWESYQDI-UHFFFAOYSA-N 363.425 2.567 0 1 FFAF COc1cc2c(c(OC)c1OC)C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O 95592278 ALMZANCUCNZILI-BPUTZDHNSA-N 369.373 2.860 0 1 FFAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@@H]1C2 85618316 LAFREGHROJJWDK-QTJFZDIUSA-N 368.385 2.910 0 1 FFAF biogenic,in-vitro N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1F 587144916 RCYZDSKXLHHMJL-JTQLQIEISA-N 351.179 2.808 0 1 FFAF COC[C@@]1(C2CCOCC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962712698 NYSRPIREBQINRZ-RDJZCZTQSA-N 357.372 2.601 0 1 FFAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccnc4)c3)c2c1 164757892 GCJHOMKPWSORIW-UHFFFAOYSA-N 357.373 2.976 0 1 FFAF CN1CCC(SC(=S)NCCCCNC(=O)NC2CCCC2)CC1 1857557297 NGOAFKJFDSNSIH-UHFFFAOYSA-N 372.604 2.710 0 1 FFAF CN(C(=O)Nc1ccnc(N2Cc3ccccc3C2)c1)[C@@H]1CCN(C#N)C1 1857557449 JVHRTQSMIMUFED-GOSISDBHSA-N 362.437 2.621 0 1 FFAF Cn1c(=O)c2c(-c3ccccc3)c(N)c(-c3ccccc3)nc2n(C)c1=O 1857748811 GUTJMKLDSQTZPL-UHFFFAOYSA-N 358.401 2.548 0 1 FFAF O=C(c1ccncc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(F)cc1 4597874 KLBFUMAJADAJRO-HNNXBMFYSA-N 353.275 2.830 0 1 FFAF C[C@H]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C 6873922 DWYLAAXYCBPMLV-UMNHJUIQSA-N 372.874 2.774 0 1 FFAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356287159 DCJUSMHCVAOJFT-SCTDSRPQSA-N 372.465 2.955 0 1 FFAF CCOC(=O)C[C@H]1C[C@@H](n2cc(-c3ccccc3)c3c(N)ncnc32)CN1 27986022 NSBNFOWYPJTLFF-HUUCEWRRSA-N 365.437 2.537 0 1 FFAF CCn1c(=O)c2cc(C(=O)N3CCN(C)CC3)sc2c2ccccc21 20286295 GOSILURPQPXACR-UHFFFAOYSA-N 355.463 2.624 0 3 FFAF CC(C)=C[C@@H]1OC(=O)C(=CC[C@@H](O)C(C)=CCCC(C)=CCO)[C@@H]1O 2356522892 XTDIHRJVDHZHKP-QYZOEREBSA-N 350.455 2.581 0 1 FFAF COC(=O)[C@]1(C)CCC[C@@]2(CO)[C@@H]1[C@H](O)C[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356693886 QTHYZUFIFBJEJE-VRXXCWSZSA-N 362.466 2.894 0 1 FFAF CC(=O)N1C[C@@H](C)Sc2cc(S(=O)(=O)N3CCCCC3)ccc21 34145538 BGFOPQISMVSTMI-GFCCVEGCSA-N 354.497 2.708 0 1 FFAF O=C(C1CC1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72101040 OXAAIIHJNOSWLO-GOSISDBHSA-N 374.847 2.913 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](C)CN2 82211784 JRLAVDAZQWMKBG-LBPRGKRZSA-N 362.499 2.954 0 1 FFAF CCCCNc1nc2c(N)nc(OCCOC)nc2n1Cc1ccccc1 40567316 WZPPUMBYZYCDHW-UHFFFAOYSA-N 370.457 2.694 0 1 FFAF Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C 221832081 RHWRDZLHGWHSHG-UHFFFAOYSA-N 353.451 2.509 0 1 FFAF CCn1c(=O)c2c(cc(OCc3ccc(Cl)cc3)n2C)n(CC)c1=O 95594537 XDRQJLQVHTXTQE-UHFFFAOYSA-N 361.829 2.774 0 1 FFAF C[C@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335044 KKMCUFJKDIICKL-KSSFIOAISA-N 355.325 2.771 0 1 FFAF COC(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587244780 LVSJLOGTBUQRAT-UHFFFAOYSA-N 374.422 2.659 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587232779 BYFDLQACMXMTFU-YUMQZZPRSA-N 352.826 2.531 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 587225050 MHASOPKGBACEQT-QGZVFWFLSA-N 353.382 2.929 0 1 FFAF COc1cc2c(cc1OC)[C@@](CN)(c1ccccc1OC)N(C)[C@H](C)C2 962618877 CLNPGTSHQCBPGW-SPLOXXLWSA-N 356.466 2.791 0 1 FFAF Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1 13580835 QBYZDDIMNITMSB-UHFFFAOYSA-N 362.393 2.941 0 1 FFAF CC(C)(O)c1cc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)on1 1857562764 ALQNTWYDXLVNEG-GFCCVEGCSA-N 354.410 2.798 0 1 FFAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 758519 TXTRGIUXMATJEY-AEFFLSMTSA-N 374.481 2.530 0 1 FFAF O=C1N(c2cccc(Br)c2)CCN1[C@@H]1CN2CCC1CC2 3782643 VZMCDKPXCHQQLB-OAHLLOKOSA-N 350.260 2.785 0 1 FFAF CONC(=O)O[C@@H](c1ccccc1)c1cccc([C@H](C)C(=O)NOC)c1 53243951 TXLUVNBOLSPGOX-GUYCJALGSA-N 358.394 2.845 0 1 FFAF O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 103282519 HOCKLGZDTABYEP-YLJYHZDGSA-N 353.418 2.930 0 1 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(Cl)cc3)c12 114872470 JYSREMXNKDHNHN-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF CNC(=O)OCc1cn2c(c1COC(=O)NC)-c1ccccc1C[C@@H]2C 28760578 SPPZHBHPUMLPQR-LBPRGKRZSA-N 357.410 2.984 0 1 FFAF CC(=CC(=O)O)CCC1=C(C)C[C@H](O)[C@@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 2356573456 NUTCNEOTPPOFED-ORFRNNEJSA-N 352.471 2.654 0 1 FFAF O=S(=O)(c1ccc(F)cc1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35279641 KKJPIHXRYUEZPZ-UHFFFAOYSA-N 374.441 2.699 0 1 FFAF CCC(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185238 HWKHZMWGYIJYGR-IBGZPJMESA-N 360.408 2.835 0 1 FFAF COc1ccc2c(c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@@H]1C2)OCO3 14715062 NFJJJWVGDBCSKG-DZGCQCFKSA-N 368.385 2.987 0 1 FFAF biogenic C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1CCOc1ccccc1 72134793 VZMYFLFAMGUIDL-NRFANRHFSA-N 352.434 2.763 0 3 FFAF C[C@@H]1C[C@H](O)[C@@]23COC(=O)[C@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 238748950 YIPMKFWEORGSOZ-JTDMLOSTSA-N 360.406 2.614 0 1 FFAF CN1[C@H](Cc2ccccc2)COc2cc(N3CCCC3)ccc2S1(=O)=O 96020512 ILWPKWRSQIYPHC-GOSISDBHSA-N 372.490 2.911 0 3 FFAF Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(CCc3ccccc3)C(=O)N1C2 96020175 CIHOIHVHYKYCHL-GOSISDBHSA-N 356.447 2.860 0 3 FFAF CN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(CC(F)F)C1=O 95565550 YHKYSMLXNWMSLT-NSHDSACASA-N 366.195 2.611 0 1 FFAF CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CC1 618013210 OAZKIMIHMNJQAJ-PDOICOKGSA-N 372.513 2.623 0 1 FFAF COc1cc2c3c(c1)O[C@H]([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587444368 OJTBRPXTUAAIHH-UIHNPWKMSA-N 371.433 2.924 0 1 FFAF Nc1cc(F)c(-c2nc3cc(I)cnc3[nH]2)cc1N 587136962 MHKMUPYOYWINOA-UHFFFAOYSA-N 369.141 2.533 0 1 FFAF COC(=O)C[C@H](C)Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587783284 MBJYCMOYYYQOMU-MRVPVSSYSA-N 369.215 2.854 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCCC3)nc(=N)[nH]c1Cl)O2 587378645 DCAQRTXUNDXPLB-ZDUSSCGKSA-N 373.844 2.740 0 1 FFAF COC(=O)c1cc2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2cc1OC 587234492 NYDGWXSIIJIGLT-UHFFFAOYSA-N 359.426 2.900 0 1 FFAF COc1cncc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587260174 UFGYTBNQBMSJJS-AWEZNQCLSA-N 369.425 2.673 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(C)n1 587868979 ZAKVEQXMYSCNEK-UHFFFAOYSA-N 365.315 2.703 0 1 FFAF C[C@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335041 KKMCUFJKDIICKL-KDOFPFPSSA-N 355.325 2.771 0 1 FFAF O=C1C[C@H](Cc2nc3cncnc3[nH]2)c2c(Br)cccc2O1 587003809 ODOKPVBXTWIJRH-QMMMGPOBSA-N 359.183 2.751 0 1 FFAF O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 13572737 AWLJZFUREZNLGG-LYKZECMFSA-N 370.357 2.538 0 3 FFAF biogenic,in-vitro C[C@H]1Oc2ccccc2O[C@H]1CNCC1CCN(c2ncccn2)CC1 13799871 OGJLWAUKNAZCQP-BEFAXECRSA-N 354.454 2.511 0 1 FFAF COc1cccc(C2=C(Nc3ccc(Cl)c(C(=O)O)c3)C(=O)NC2=O)c1 14946025 CKNBSSMNQGLXEA-UHFFFAOYSA-N 372.764 2.526 0 1 FFAF COc1ccc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2CO)cc1OC 2356375673 IATWXYMZKVGQLC-OXJNMPFZSA-N 372.417 2.928 0 1 FFAF CCCn1c(=O)cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643164 XOUOEUATRAFRCX-HOTGVXAUSA-N 353.466 2.767 0 1 FFAF O=C(O)C[C@H]1CCc2cc(NC(=O)CCC3CCNCC3)ccc2C1=O 27299524 YALRFBCGKJZLOS-OAHLLOKOSA-N 358.438 2.625 0 1 FFAF NS(=O)(=O)c1nc2ccc(OC(=O)/C=C/c3ccccc3)cc2s1 26504154 YOHTWEQBOHRRPZ-RMKNXTFCSA-N 360.416 2.563 0 1 FFAF Cc1c(N2CCC[C@H](CO)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27550281 QYVUNZXAOSMGRK-ZDUSSCGKSA-N 356.422 2.552 0 1 FFAF CC=C(C)C(=O)O[C@@H](C)[C@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 2356614386 RRPAUYJABCIHOM-ZBEGNZNMSA-N 350.367 2.926 0 1 FFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCCCC2)n1 2356741184 SFFIYDYBLKAOFA-MANSERQUSA-N 361.530 2.597 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@H]1CC[C@@H](C2)N1 73198751 FMGVKMYXCXDASO-SUMWQHHRSA-N 367.474 2.943 0 1 FFAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1 72183165 UDYLXYFIJLPZAV-IBGZPJMESA-N 363.446 2.544 0 1 FFAF COc1ccc(-c2cc(=O)c3cc(CN4CCNCC4)ccc3o2)cc1 45245477 VGXSTGHOAOPDBY-UHFFFAOYSA-N 350.418 2.874 0 1 FFAF O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccc(F)c1 40639897 PGDHKRYSZHNTQA-PZJWPPBQSA-N 355.409 2.699 0 1 FFAF CN1CCC=C([C@H]2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 40394430 FKHRUGPZLFWZDX-MRXNPFEDSA-N 351.903 3.000 0 1 FFAF CCCCNc1nc(N2CCN(C)CC2)nc2cc(OC)c(OC)cc12 82129017 HCBUSMXEIQZYQG-UHFFFAOYSA-N 359.474 2.611 0 1 FFAF Cn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1 147813280 QDELSYNMUOUXFU-UHFFFAOYSA-N 359.389 2.708 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 95566002 UUHRDARWBGSDJU-CYBMUJFWSA-N 363.385 2.651 0 1 FFAF COc1c(O)c2c(c3c1[C@@H](O)COC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 238755535 VLSCNAWMSGINHJ-OABGYEMISA-N 374.433 2.814 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C\C=C/[C@@H](O)CCCC(=O)O 230058455 AOPOCGPBAIARAV-OFQWOFNHSA-N 350.455 2.905 0 1 FFAF in-man COCCNC(=O)Nc1ncc2c(-c3ccnc(C4CC4)c3)n[nH]c2c1F 261093094 DTZPAQIFXXLTKZ-UHFFFAOYSA-N 370.388 2.804 0 1 FFAF COc1cc(OC)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OC 587651671 CHRRFPDYPRXRGP-UHFFFAOYSA-N 374.780 2.764 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 586929436 CCOOENKOFZMCNV-UHFFFAOYSA-N 374.466 2.790 0 1 FFAF O=C(c1ccc(F)nc1)c1c(CO)oc2cc(Br)cnc12 587275574 BQSYQOWXIWRQKP-UHFFFAOYSA-N 351.131 2.848 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587130943 ZRKUKIKNYSAUNV-UHFFFAOYSA-N 353.350 2.672 0 1 FFAF COc1ccc([C@]2(COCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398088 AYVFRUXJVJSBNV-HXUWFJFHSA-N 371.389 2.548 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587259413 DVDIRKFSUBHPSP-JTQLQIEISA-N 350.209 2.606 0 1 FFAF O=C(N1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657054 RLSGFLNHWHFOMK-UHFFFAOYSA-N 371.343 2.642 0 1 FFAF CCN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579892 APZLQGYKVSFMPI-PXNSSMCTSA-N 353.374 2.735 0 1 FFAF C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nnn2cnc3[nH]ccc3c12 1772596105 IVFATVRABARRFI-AAEUAGOBSA-N 356.430 2.966 0 1 FFAF CCOC(=O)CCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 5844018 YFLAKSNEPYHQSB-UHFFFAOYSA-N 352.394 2.839 0 1 FFAF CCCC(=O)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492054 OGRUFMQOFDUWBM-UHFFFAOYSA-N 354.385 2.926 0 1 FFAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)nn1 167492662 YXSGKMOXTJVSJR-UHFFFAOYSA-N 365.437 2.944 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCc1ccncc1)c2=O 1857541346 ZRGZJPJCZSUZGJ-UHFFFAOYSA-N 358.829 2.869 0 1 FFAF N=c1nc(N2CCC(N3CCC[C@H](c4ccc(Cl)cc4)C3)CC2)[nH][nH]1 1857543515 GGDCCIUNJVQZKW-AWEZNQCLSA-N 360.893 2.719 0 1 FFAF Cc1nc(O)c2c(CO)nn([C@H](C)c3ccc(C(F)(F)F)cc3)c2n1 1857647752 WOPONWMJGIDXSF-MRVPVSSYSA-N 352.316 2.961 0 1 FFAF CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cc(Cl)ccc2C(C)=O)S1 2463971 DEFMYEGVVGFNOC-OAHLLOKOSA-N 353.831 2.718 0 1 FFAF COc1ccc2c(c1CC=C(C)C)O[C@@]1(O)c3ccc(O)cc3OC[C@]21O 2356356865 FBYJHWOGIRRKPJ-SFTDATJTSA-N 370.401 2.727 0 1 FFAF CC(C)CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1 103284758 BRRBJKMBPYJQGM-UHFFFAOYSA-N 369.465 2.813 0 1 FFAF O=C(O)CC[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 29313631 JPVMUUFYHNMFHF-QGZVFWFLSA-N 363.350 2.854 0 1 FFAF O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2c(s1)CCCC2 21264904 LLNAOMZWWWHDRJ-UHFFFAOYSA-N 356.495 2.783 0 1 FFAF CC[C@@H](CCc1ccc(F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27745024 HMDKKYXZPAZQII-QFBILLFUSA-N 360.429 2.665 0 1 FFAF Fc1cc(CN2CCc3nc(N4CCOCC4)ncc3C2)ccc1Cl 21640002 PVNYHBJOYXLUPN-UHFFFAOYSA-N 362.836 2.664 0 1 FFAF CCCS(=O)(=O)C[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890426 CCIATXDJVAYJDO-CQSZACIVSA-N 365.282 2.912 0 1 FFAF CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)Oc1cccc(N)c1 8253608 CZPIFWQZAZUXPJ-KBPBESRZSA-N 357.410 2.741 0 1 FFAF biogenic COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H](C)[C@@]24[C@@H]1c1[cH-]cnc1C[C@@]34C 85548923 PLEIWQMZASHNTG-CZLIRFIDSA-N 356.442 2.655 0 1 FFAF biogenic,in-vitro O=C(OCc1ccccc1)[C@@H]1COC(c2ccc(Br)nc2)=N1 49783786 WIAKANNIZMGCOD-ZDUSSCGKSA-N 361.195 2.733 0 1 FFAF CCCC[C@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40379130 WPARLJDTEVDECR-ZFWWWQNUSA-N 366.849 2.827 0 1 FFAF COc1cc2c(cc1O)-c1c3c(c(OC)c4c1[C@@H](C2)N(C)CC4)OCO3 238745223 BSBJXLRRENMXCC-CYBMUJFWSA-N 355.390 2.890 0 1 FFAF O=C(Nc1cc2[nH]nc(-c3ccncc3)c2cn1)N[C@H](CO)c1ccccc1 261149897 OPUXLDGWDVYXAS-QGZVFWFLSA-N 374.404 2.875 0 1 FFAF C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)cc2c1ncn2C 299821706 LYTYLKIUCFTVLF-LLVKDONJSA-N 366.400 2.876 0 1 FFAF O=C(NCC1CCOCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 299820424 BIMFLDLUJSAALT-TZMCWYRMSA-N 373.403 2.967 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3C[C@@]34CCOc3ccc(OC)cc34)nc12 586917689 UQNSRTJDMWCOPQ-JLTOFOAXSA-N 365.389 2.961 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@H]4CCOC4=O)c1)[C@@H](C2)C3=O 587450734 GBFJYISCOUNZHM-FTRWYGJKSA-N 366.369 2.878 0 1 FFAF O=C(O)[C@@H]1C[C@H]2C=C[C@H]1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612780 WHNWVYVHNLNEMC-ASODLSMBSA-N 364.353 2.999 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc2c1 586907795 XMNHMZWINCURPC-MRVPVSSYSA-N 367.199 2.921 0 1 FFAF COC(=O)c1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2n1 586918402 YBJYOIXVNNORQG-RNODOKPDSA-N 365.389 2.961 0 1 FFAF CCn1nccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697108 LBDAIJUKCFXCQR-BBRMVZONSA-N 371.334 2.923 0 1 FFAF Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)NCCc2nc3ccccn3c21 962989324 ZPDBZDBROUBMFP-NRFANRHFSA-N 361.401 2.701 0 1 FFAF CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 5965067 ALIZQELSMNFNPZ-ATNYBXOESA-N 365.788 2.719 0 1 FFAF CCOC(=O)C[C@@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 169328068 CVRIERYQZVPRIK-XJKSGUPXSA-N 354.859 2.615 0 1 FFAF O=C(NC[C@H]1CCNC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166461873 UBKJLLLBIOGQDC-HNNXBMFYSA-N 364.449 2.574 0 1 FFAF Cc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O 1857763317 XWWGRLQDLMCATM-UHFFFAOYSA-N 363.421 2.558 0 1 FFAF CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 6893084 UQARCQFUQKJFPE-GFCCVEGCSA-N 354.497 2.708 0 3 FFAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCn1ncn2c(cc3occc32)c1=O 105459090 FFXAWHZUOJBTLU-QLFBSQMISA-N 370.453 2.963 0 3 FFAF O=C(O[C@H]1CN2CCC1CC2)[C@@H]1NCc2ccccc2[C@@H]1c1ccccc1 61389380 IGCKSKSSHBPKHO-FDFHNCONSA-N 362.473 2.928 0 3 FFAF in-man COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCCO3)ccc1O 2356455525 XRKOYXZGQNBIRK-HZPDHXFCSA-N 370.401 2.746 0 1 FFAF CCCCN(C)c1c(C)nc2ccc(C(=O)NCCCn3ccnc3)cn12 61928544 GEBZCMLJJQHCFI-UHFFFAOYSA-N 368.485 2.896 0 3 FFAF O=C1Nc2ccccc2[C@@]12CCCN(Cc1ccc3c(c1)OCCO3)C2 72167246 VANFIIOTTIHGQR-NRFANRHFSA-N 350.418 2.944 0 1 FFAF C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 39178008 RPWOFAVQGNBGTB-PECNCKFKSA-N 350.455 2.634 0 1 FFAF O=C1NCCc2[nH]c(-c3cccc4ccc(N[C@H]5CCCNC5)nc34)cc21 223408570 FXKAJMTVSSOIMV-AWEZNQCLSA-N 361.449 2.680 0 1 FFAF CC1(C)C[C@H](O)C[C@](C)(CNc2cc(Cl)cc(S(N)(=O)=O)c2)C1 84605189 UQTVLYJHGCDJQB-BBRMVZONSA-N 360.907 2.977 0 1 FFAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C2(O)COC2)cn1 143613628 LRAROYWIRIHNSU-UHFFFAOYSA-N 356.353 2.981 0 1 FFAF O=C(O)c1cc(=O)c2c3c(c(Cl)cc2[nH]1)S(=O)(=O)c1ccccc1-3 149033186 BHHPXIUQXIYPCU-UHFFFAOYSA-N 361.762 2.693 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175168 ZADIMWTYDQIIES-WBMJQRKESA-N 371.437 2.894 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253693088 YERVYLQWQFZZOC-FIWIZBIESA-N 351.446 2.569 0 1 FFAF Nc1ccc2[nH]c(=Nc3ccc(O)cc3)c(=Nc3ccc(O)cc3)[nH]c2c1 474606210 HSIXLGDCPLLVGG-UHFFFAOYSA-N 359.389 2.954 0 1 FFAF COC(=O)c1cc(OC)n(-c2c(N)cccc2Br)c1OC 587937051 MUACGDYRJQUBTJ-UHFFFAOYSA-N 355.188 2.626 0 1 FFAF CC(=O)N[C@@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512659 OBFOPDFOVGZATO-VXKWHMMOSA-N 365.429 2.881 0 1 FFAF CC(C)(C)OC(=O)NCCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652385 QLHQCVYYDFZJLP-UHFFFAOYSA-N 365.817 2.995 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586879694 MSAWBMASNMEMEI-YFHOEESVSA-N 371.418 2.682 0 1 FFAF COc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cn1 587259405 GKPJHUYPIVCLIQ-AWEZNQCLSA-N 369.425 2.673 0 1 FFAF Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@H](N(C)c2ncc(F)cn2)CC1 203540961 BMBBREHGFLEDIE-CQSZACIVSA-N 368.412 2.957 0 1 FFAF O=C(NCCc1ccccc1)c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 6769990 PIAPFJNTCBJSRH-SFHVURJKSA-N 364.445 2.794 0 1 FFAF O=C(c1cccnc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100101793 UNNHFMIPDSJXNZ-AERCQKQUSA-N 356.429 2.724 0 1 FFAF O=C(CCc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1C(=O)O 28863448 KFOWXNJOAUAKBU-UHFFFAOYSA-N 353.334 2.712 0 1 FFAF O=C(O)c1ccccc1OC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 29327192 AZHQHZNUAUWFQZ-INIZCTEOSA-N 353.374 2.524 0 1 FFAF CO[C@]1(C)OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 34008461 WVQTZIAFXBTTNX-LJQANCHMSA-N 358.415 2.920 0 1 FFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)COc3nccc(N)n3)C[C@@H]1O2 40936221 HMIRLKBYJRONAD-FFSVYQOJSA-N 369.421 2.980 0 1 FFAF CCCCn1c(-c2ccc(F)cc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95588757 ILWOIMOKLTUADE-UHFFFAOYSA-N 369.400 2.591 0 1 FFAF CCO[C@@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@H]2O1 257514720 PPRSMUWPTLLGMJ-QZBIMVINSA-N 358.346 2.516 0 1 FFAF endogenous,in-man Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cc2c3c(cccc3n1)CC2 587216538 DXVPUVPMNMZKKE-UHFFFAOYSA-N 355.463 2.858 0 1 FFAF CN(Cc1nc2cc(F)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929244 USUBFEBARAKFMB-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF NC(=O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005225 DBIALEVQDGJODM-UHFFFAOYSA-N 352.579 2.535 0 1 FFAF C=C(NC(C)=O)c1nc2c(Br)cnc(Br)c2[nH]1 587202283 DVAQAVDGYBTNBI-UHFFFAOYSA-N 360.009 2.590 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586964348 YMWWATFMNOZSSR-CYBMUJFWSA-N 371.422 2.941 0 1 FFAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nccc2[nH]1 587000162 MZBXXHLGYLVNDA-UHFFFAOYSA-N 374.150 2.905 0 1 FFAF CCOC(=O)[C@@H](Cc1ccccc1C)c1ccc2c(O)nc(O)nc2n1 587559793 OCFDVZFTFPHIRU-AWEZNQCLSA-N 353.378 2.634 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586930089 LDRGLORCDJDDOF-UHFFFAOYSA-N 357.222 2.720 0 1 FFAF Nc1ncnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985147 RGFCILMFXVSJKT-ZDUSSCGKSA-N 373.258 2.883 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ncnc3[nH]2)CCC(=O)CC1 587234911 YRHKOHUEPYYTNO-UHFFFAOYSA-N 365.821 2.869 0 1 FFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 586936686 JNOOBMGOOMJOCI-CYBMUJFWSA-N 365.846 2.682 0 1 FFAF CCOC(=O)/C=C/C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3294563 RCTMSWCFRJPVEV-VAWYXSNFSA-N 354.410 2.729 0 3 FFAF CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1 13580967 HKEHYJMEICETAY-MRXNPFEDSA-N 370.453 2.739 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 169306655 AALLCALQGXXWNA-IYOCECEUSA-N 358.390 2.533 0 1 FFAF CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168724049 QWFFOELVGDLHSA-CYBMUJFWSA-N 350.426 2.833 0 1 FFAF O=C(Nc1ccc(OCc2ccccc2)c(-n2cnnn2)c1)c1ccncc1 1857570723 HCYVHKJSBWOMKK-UHFFFAOYSA-N 372.388 2.889 0 1 FFAF CN1CCN(c2cccc(CN(C)[C@@H]3CCCc4cccnc43)n2)CC1 1857641199 AISQVXALLKVKPM-LJQANCHMSA-N 351.498 2.738 0 1 FFAF COc1cc(NS(=O)(=O)c2ccc(CN)cc2)c(OC)cc1Cl 319921117 BOJGWKKERBJMJP-UHFFFAOYSA-N 356.831 2.617 0 1 FFAF CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 606169 PCKMQUISQMUBKK-UHFFFAOYSA-N 350.382 2.801 0 1 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3)cc1 1541354 ZNGZDOVQBYPJEY-LBPRGKRZSA-N 351.406 2.803 0 1 FFAF CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCC1 2938975 XLRYYNHSKBBNBQ-WMLDXEAASA-N 352.500 2.747 0 1 FFAF Cc1ccc(C[C@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)cc1 8931958 DRMCHAQMRITHNZ-JOCHJYFZSA-N 357.413 2.988 0 1 FFAF CCCCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NC2CCCCC2)nn1 2356299402 CDNDWABHZYHQQP-LSTHTHJFSA-N 373.545 2.780 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)n1 2356304417 GLXUXDJKZPRZKB-MAUKXSAKSA-N 370.428 2.716 0 1 FFAF O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4)CC3)cc2N1 38224216 SIMIDDRAOCNPCA-UHFFFAOYSA-N 351.406 2.873 0 1 FFAF C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 34281696 AGUSBSWEUMEPIM-BTDLBPIBSA-N 357.389 2.893 0 1 FFAF COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1 38987023 KYFGACYORZGXNM-CHWSQXEVSA-N 359.207 2.690 0 1 FFAF O[C@@H](COc1ccc([C@@H]2CCCNC2)cc1)CN1CCc2ccccc2C1 219751269 HUPUCRUHTCXPRQ-IFMALSPDSA-N 366.505 2.952 0 1 FFAF COc1cccc(O)c1-c1cc(=O)c2c(OC)c(O)c(OC)c(OC)c2o1 14436624 FIEOXQXIXIHTRL-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40860282 VRFOZSNKUVGHRO-KYTCBBFDSA-N 372.339 2.966 0 1 FFAF O=C(CC1CCNCC1)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 84689532 LLTWNELXMPLGRY-UHFFFAOYSA-N 362.433 2.544 0 1 FFAF CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C 238785639 IRRGZHQOVQRPSV-OAZLISPHSA-N 362.422 2.548 0 1 FFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894846 NNDLDBAPAQCFGH-SJBKTWHCSA-N 372.509 2.554 0 1 FFAF O=C(C[C@H](CO)c1cccc(OCc2ccccc2)c1)N1CCOCC1 473154601 IZHOVCFZMCUERO-LJQANCHMSA-N 355.434 2.590 0 1 FFAF Cc1nc(-c2c(N[C@H]3CC[C@@H](N)CC3)ccnc2O)[nH]c1-c1cnn(C)c1 653726366 CZRDRKIQQHBMQJ-OKILXGFUSA-N 367.457 2.568 0 1 FFAF NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccncc3)c2)c1 653887135 OYOYHWZNZNJDLA-SNAWJCMRSA-N 374.400 2.806 0 1 FFAF Oc1nncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116144 PQJPWFWZWQXGRR-UHFFFAOYSA-N 360.093 2.902 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799638 SZRDENPJPGHEQJ-JDNHERCYSA-N 372.234 2.860 0 1 FFAF COC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587041945 QJHIUZFTEIGTPE-HUUCEWRRSA-N 354.435 2.691 0 1 FFAF O=C1COc2cc(Br)ccc2N1CCc1nc2cnccc2[nH]1 587001795 HFNGQNDTPJHRDD-UHFFFAOYSA-N 373.210 2.689 0 1 FFAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CCC(=O)O 587517703 SGYUBUHHIUUCSB-OAQYLSRUSA-N 369.417 2.880 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1ccc3c(c1)NCCS3)N[C@H](C(=O)O)C2 963469905 LPKHCQJUGBBDCZ-KBXCAEBGSA-N 356.447 2.907 0 1 FFAF COc1ccc([C@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2)cc1 1772655656 VUPCXEVKEVCDEX-GOSISDBHSA-N 351.406 2.941 0 1 FFAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1cccc(F)c1 1772642473 VYGNENBUPUFINS-SBSMOFILSA-N 369.392 2.981 0 1 FFAF O=C(NCc1nc2ccccc2s1)[C@H]1CCN(c2ccccc2)C1=O 11816331 PCHAXMYPYBBAAX-CQSZACIVSA-N 351.431 2.966 0 1 FFAF C=c1c(C(=O)OC)c(O)/c(=C/c2cccs2)n1-c1ccc(Cl)cc1 169688857 GESBEGNCAPNUTI-GDNBJRDFSA-N 359.834 2.924 0 1 FFAF O=C1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206154480 YFHGEIUDROIIDR-UHFFFAOYSA-N 374.447 2.619 0 1 FFAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)O)cc32)c(C)c1CCC(=O)O 3815540 AVQJNCBAUVLRRN-ZSOIEALJSA-N 354.362 2.840 0 1 FFAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cccnc4C)cccn3[nH]1)C2 1857637102 JQCHKNXBVKZMLH-INIZCTEOSA-N 373.464 2.707 0 1 FFAF COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@H]3CO)ccc1O 102980591 KBWKVVULAPXWFJ-RYMBOPBQSA-N 358.390 2.557 0 1 FFAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C2)O3 101095656 CTKDNRAPWIIIPH-AYRJRFHDSA-N 365.857 2.890 0 1 FFAF CC(=O)Nc1cccc([C@H](C)Nc2c(Nc3ccncc3)c(=O)c2=O)c1 100081598 XYZXHSASVDSJGS-NSHDSACASA-N 350.378 2.553 0 1 FFAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4ccc(OC)cc4n32)cc1 2356306638 PADMZAGOKCEGHT-CQSZACIVSA-N 367.405 2.555 0 1 FFAF CCCCOc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28569889 OLGZWDKGZLCKOQ-UHFFFAOYSA-N 363.361 2.869 0 1 FFAF O=C(c1ccccc1)N1CCC(N2CCc3cc(O)ccc3[C@@H](O)C2)CC1 64559386 XZQGWQIWLXSEBC-NRFANRHFSA-N 366.461 2.589 0 1 FFAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@H](O)[C@@H](CO)C(=O)O 2356831298 JNZQQYUOGYYQLO-XYPHTWIQSA-N 356.459 2.994 0 1 FFAF C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1cccc2cccnc12 40423600 YLYAMZXYSQCSFW-NSHDSACASA-N 371.393 2.910 0 1 FFAF Cn1cc([C@H](NC(=O)c2cc3c(s2)CCCCC3)C2CC(O)C2)cn1 230515195 JJWDMRYKUONJTL-LEHRNKBSSA-N 359.495 2.993 0 1 FFAF C[C@@H]1CC(=O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 85692998 XDLLWFPVEHRTIN-LTTVHPFPSA-N 356.374 2.743 0 1 FFAF biogenic COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2 299868684 SDURETHUYNAPDG-UHFFFAOYSA-N 356.378 2.511 0 1 FFAF CN1CCN(c2ccc(-c3cncc(-c4ccc(C(N)=O)cc4)n3)cc2)CC1 299819196 AUAKZLYDLOTUSN-UHFFFAOYSA-N 373.460 2.661 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(C)cc(Br)c2[nH]1 586941676 APGBTGNQUMTLFG-UHFFFAOYSA-N 360.277 2.506 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803466 AWBDRAPGNWZTMH-KRMBAHDKSA-N 372.234 2.716 0 1 FFAF COc1cc(O)cc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 587932734 PXFOJOVTCBZQBI-UHFFFAOYSA-N 350.334 2.812 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@H](O)c1ccccn1)O2 587393981 OVBQBWCQURVCQP-RTWAWAEBSA-N 361.401 2.962 0 1 FFAF Cc1cc(C(F)(F)F)nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587651593 NAZOYMGBHMPROY-UHFFFAOYSA-N 370.718 2.914 0 1 FFAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nnn2cnc3[nH]ccc3c12 1772596109 IVFATVRABARRFI-YPMHNXCESA-N 356.430 2.966 0 1 FFAF O=C(Cc1ccsc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 11822022 CSYGYANJKMQTFB-HXUWFJFHSA-N 369.490 2.727 0 1 FFAF CN(Cc1nccs1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11878451 LTEORTHPOZKCGW-AWEZNQCLSA-N 361.442 2.679 0 3 FFAF O=C1CC[C@@H](C(=O)N(CCO)Cc2ccccc2)CN1CC1CCCCC1 12753285 NIZNOGZLVQZLJO-HXUWFJFHSA-N 372.509 2.826 0 3 FFAF COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@H]2C(=O)NCC5)ccc1O 14696260 GEJUXZYANAYHRZ-MOPGFXCFSA-N 350.374 2.772 0 1 FFAF endogenous,in-man COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 169300960 NRDFDFBBHZSEKP-LRDDRELGSA-N 351.878 2.925 0 1 FFAF COC(=O)[C@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 169714198 LDJPMOIHMAEPSX-JLUCKKNBSA-N 353.260 2.771 0 1 FFAF Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1 596606 MZESVGYCZMDKDP-UHFFFAOYSA-N 352.329 2.566 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c1 2356300817 YGHXYULUEBLNRC-RDJZCZTQSA-N 356.401 2.706 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(/C=C/c3cccnc3)c(F)c2)C(=O)O1 3955681 ZRVUSLASTYWYHX-BDUNBXCCSA-N 355.369 2.852 0 1 FFAF CCN1CCN(c2ncc3c(n2)CCN(Cc2sccc2C)C3)CC1 8608679 XHBVIWAVLMOYEC-UHFFFAOYSA-N 357.527 2.547 0 1 FFAF CO[C@]12C[C@@H]3[C@H](C[C@H](O)[C@]4(O)C(C)(C)CCC[C@]34C)[C@H](C)C1=CC(=O)O2 2356426869 JNDRQMIRNBREKL-VIJRGPBUSA-N 364.482 2.797 0 1 FFAF NC(=O)c1cccc2c(NCc3cccc(Nc4ncccn4)c3)ncnc12 114343909 OSOQQRUVRRWBMV-UHFFFAOYSA-N 371.404 2.874 0 1 FFAF CCc1ccc([S@@]2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc32)cc1 73164215 AQCKHOPQHQXGMI-OAQYLSRUSA-N 369.489 2.575 0 1 FFAF CC(C)N1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 95593339 MUQZYZOPNWVRRI-UHFFFAOYSA-N 354.433 2.877 0 1 FFAF COC[C@@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@H]1C)C[C@H](O)[C@@H]2C 238755393 IGUFYHFJOVSYRH-HCKYKKOXSA-N 350.499 2.680 0 1 FFAF COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@H](O)[C@@H]2C 263621324 YZZBBYUVOSVRJT-VDLOYZNNSA-N 350.499 2.680 0 1 FFAF in-vitro Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)cc1 299818801 AIUQLMBMADRNAR-UHFFFAOYSA-N 374.400 2.673 0 1 FFAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1ccc2c(O)nc(O)nc2n1 587368258 FGCXMGWJQOHFJG-ZDUSSCGKSA-N 373.796 2.979 0 1 FFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(O)nc(O)n1 587656735 LSVPBZDAVXSHOP-UHFFFAOYSA-N 368.299 2.532 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(=N)[nH]cc3[nH]2)cc1 587041003 SFAPJRGYJMPCDA-OAHLLOKOSA-N 369.450 2.657 0 1 FFAF COc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 587092857 BEWULIOITGBYRD-CYBMUJFWSA-N 358.345 2.724 0 1 FFAF COc1cc(C(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587397822 BRQMXLKOJMPMLJ-OAHLLOKOSA-N 357.362 2.999 0 1 FFAF N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cccc2ccccc12 587258269 DQULGTOQQUVXLJ-KRWDZBQOSA-N 355.405 2.934 0 1 FFAF COC(=O)c1cc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2cc1OC 587155173 IINMMFJQTVBMBM-BLVKFPJESA-N 355.369 2.839 0 1 FFAF C[C@H](O)[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976810 OHNFAQAUHXRIHL-RBNDEXQUSA-N 373.808 2.903 0 1 FFAF Cc1cccc(Sc2nn(CC3CCNCC3)c3ncnc(N)c23)c1 1772600070 JBBMCVYXSKRHOX-UHFFFAOYSA-N 354.483 2.868 0 1 FFAF O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169293130 DUFGBXZQCBTAOV-IHETXDGRSA-N 368.433 2.774 0 1 FFAF CCOc1cc(NC(=O)[C@H]2CCCO2)c(OCC)cc1NC(=O)C1CC1 881450 CIDHIBVPARGWCY-OAHLLOKOSA-N 362.426 2.950 0 3 FFAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356313571 JWYNTFLKMVHTIA-IPMKNSEASA-N 362.514 2.616 0 1 FFAF CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(N)c(=O)c12 103222772 DXOWNQZNRZOROU-UHFFFAOYSA-N 364.434 2.762 0 1 FFAF CCOC(=O)/C=C/c1cc(CN(CC)Cc2ccncc2)cc(C(N)=O)c1 29404631 XQGQZLAMURTSHP-AATRIKPKSA-N 367.449 2.779 0 1 FFAF O=C(O)CN1CCN(CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1 29327053 PNFIOJXYKLUAEJ-OAQYLSRUSA-N 372.440 2.634 0 1 FFAF CC(=O)N[C@H](C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1 13369641 NNOWKGATWUOFNF-LLVKDONJSA-N 356.451 2.794 0 1 FFAF biogenic Cc1cccc(CC(C)(C)NC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)c1 45254329 QFAHPWBXTBJXGW-QGZVFWFLSA-N 370.449 2.676 0 1 FFAF O=C(c1ccccc1)N1CC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 199266643 RQQQVHLGTOJHIM-LPHOPBHVSA-N 370.474 2.612 0 3 FFAF CN1C(=O)[C@@H](NC(=O)Nc2ccccc2Cl)N(C)C(=O)c2ccccc21 95563512 LIUOFQFNDGJJCC-HNNXBMFYSA-N 372.812 2.536 0 1 FFAF COC(=O)C1=CN[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 40640963 QRQPCYRAKCACCD-JPFBJGCUSA-N 351.450 2.752 0 1 FFAF biogenic COc1cccc(CN2C[C@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)c1OC 299842870 JOGZIUQQAVEHAR-CEQIKUNHSA-N 354.450 2.828 0 1 FFAF Cc1nc(-c2ccccc2F)sc1C(=O)NC/C=C/S(C)(=O)=O 473113553 JGYUGHBWSSMDCO-WEVVVXLNSA-N 354.428 2.546 0 1 FFAF CCc1ccc(C(=O)CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587957355 YGEJTEQDLCXCBN-UHFFFAOYSA-N 357.435 2.588 0 1 FFAF COCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794760 PYXWHNMWCXVSDL-QFYYESIMSA-N 374.250 2.917 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 586936013 LFGOMDOHTCHOHV-SECBINFHSA-N 365.846 2.750 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)CCC1=O)(c1ccccc1)O2 587390787 JDLHAQXAGZONGQ-NRFANRHFSA-N 364.401 2.587 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1N)[C@@H](C2)C3=O 587427667 FFDSUHYPFJCXBL-RNODOKPDSA-N 355.390 2.957 0 1 FFAF Cc1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202142 FXWNZLMBUUFLBN-MRXNPFEDSA-N 353.378 2.793 0 1 FFAF CCS(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118534 OCMPTPXWHLTURX-UHFFFAOYSA-N 372.372 2.815 0 1 FFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 587125045 OYVFVKBGSYNSFD-SREIQFSDSA-N 351.336 2.898 0 1 FFAF COc1ccc2c(c1OC)[C@H](c1c(C)nn(C)c1N(C)C)N(C)[C@H](C)C2 962625382 DVINHWACVZKQIB-XIKOKIGWSA-N 358.486 2.778 0 1 FFAF O=S(=O)(N[C@@H]1CCc2ccccc2C1)c1ccc2c(c1)CN[C@@H](CF)C2 13581925 SNXPPNROWQROND-RTBURBONSA-N 374.481 2.506 0 1 FFAF COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](SO)/C(=C\C(=O)O)C1 1857582879 DIGXBJARBXPUAT-VLODSAPTSA-N 371.842 2.846 0 1 FFAF CN(C)C1=N[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=N)N1 1857598975 SYXCXRXAWNWLSC-GOSISDBHSA-N 359.437 2.583 0 1 FFAF O=C(Cn1ccc(-c2ccccn2)n1)Nc1cnn(Cc2ccccc2)c1 1857760905 XHCORNJOVDCITQ-UHFFFAOYSA-N 358.405 2.829 0 1 FFAF CCc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)c1 3907214 QCBOSACUNPVQPG-UHFFFAOYSA-N 357.435 2.733 0 3 FFAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCOCC1 4935378 REQZBDCUOXNUNK-UHFFFAOYSA-N 364.449 2.805 0 1 FFAF CCc1nn([C@H](CC)C(=O)N[C@@H](C)CC)c(=O)c2cc3oc(C)cc3n12 6821505 XRSVYFHQWFMITR-WCQYABFASA-N 358.442 2.979 0 1 FFAF C[S@](=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 101470830 OBXGUJHUIVZSQP-RUZDIDTESA-N 368.336 2.779 0 1 FFAF C[C@H](c1cccc(N)c1)n1c(Br)nc2c(N(C)C)ncnc21 29560075 MGQSSZKPOJDQEQ-SECBINFHSA-N 361.247 2.846 0 1 FFAF O=C(Nc1cc(Cl)ccc1N1CCC[C@@H](O)C1)c1cnn2cccnc12 113654069 OANAGZCVKVUSIU-CYBMUJFWSA-N 371.828 2.596 0 1 FFAF C[C@H](C[P@](=O)(O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 29051491 WUBYQBSYTLBAMD-OCCSQVGLSA-N 355.327 2.736 0 1 FFAF COc1cc2c(c(O)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 29546041 BFILWIQMFFBDHW-VLIAUNLRSA-N 369.373 2.998 0 1 FFAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)c1 2356607838 TYJYBYSNFUCICQ-IEBWSBKVSA-N 360.406 2.544 0 1 FFAF CO[C@@H]1C[C@@H]2C(=O)Nc3ccc(C=Cc4ccc(O)cc4)cc3C(=O)N2C1 2356866318 WETZAQFCPOZUGP-VQIMIIECSA-N 364.401 2.744 0 1 FFAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]12 74377983 NWHHESQZLBQUIP-SJORKVTESA-N 360.410 2.558 0 3 FFAF CN1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)CC1 73158498 RKYQCUNZJPPIFH-UHFFFAOYSA-N 351.332 2.729 0 1 FFAF O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccnc5)nn34)cccc12 73163069 PPXVCOFUDPKTMW-UHFFFAOYSA-N 354.373 2.619 0 1 FFAF Cc1sc2nc(S[C@H](C(=O)O)c3ccccc3)n(N)c(=O)c2c1C 38987155 QZDXSQCVDPXGBD-LBPRGKRZSA-N 361.448 2.707 0 1 FFAF CC(=O)OCC1=C[C@@H]2C(=C(C)C)C(=O)C[C@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@H]2C1 15116144 QGMWYPVORBWEBD-URYOQXOESA-N 372.461 2.934 0 1 FFAF biogenic Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 74377979 NWHHESQZLBQUIP-DLBZAZTESA-N 360.410 2.558 0 3 FFAF CNc1ncc2c(-c3ccc(F)nc3)nn(CC3CCC(N)CC3)c2n1 84724421 ADELQQCPARGKLR-UHFFFAOYSA-N 355.421 2.587 0 1 FFAF CCC[C@@H](O)C1=C(Br)/C(=C/I)OC1=O 40379395 KCFLZMAPXDKUEQ-WEWOIACBSA-N 372.984 2.630 0 1 FFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@H](C)O)cn1 143144290 BMDAYGAAXYBZNV-ZDUSSCGKSA-N 367.405 2.735 0 1 FFAF CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95574516 QNYQLGNNYUTDRZ-UHFFFAOYSA-N 359.393 2.907 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(OC(F)(F)F)c2[nH]1 587204959 WCIHCZIUXZRZLJ-SNVBAGLBSA-N 372.347 2.540 0 1 FFAF COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588209 PQASLAYBNDSLCB-LPHOPBHVSA-N 350.330 2.894 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)([C@@H]1CCCN(C)C1=O)O2 587396467 SOUFHAMFXIEGGI-IERDGZPVSA-N 365.433 2.701 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)N(C)[C@@H]1C 587393747 LEIIZBLYTUITNA-ZUOKHONESA-N 351.406 2.563 0 1 FFAF COCC(=O)Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587562915 JICJTCDPDSPFPA-UHFFFAOYSA-N 371.368 2.990 0 1 FFAF CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)cc1 5663483 FDCZYVFCYYVZEY-SFHVURJKSA-N 355.419 2.564 0 1 FFAF Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 11935498 GJZSKKHEGRYYMH-NRFANRHFSA-N 366.465 2.681 0 1 FFAF C[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 13657611 CQOYCMLVEICPSJ-JTQLQIEISA-N 357.797 2.682 0 3 FFAF Nc1cc(C(=O)O)cc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 169360858 PUJKOLVBGJUWMP-UHFFFAOYSA-N 366.373 2.577 0 1 FFAF CCN1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2F)CC1 200242018 RLXPOIMCIQTCHX-UHFFFAOYSA-N 366.440 2.662 0 1 FFAF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@H](CO)C(=O)OC 1857556071 UHOKSUGCIDKRQZ-LZLXCTOHSA-N 356.466 2.895 0 1 FFAF Cn1c(CO[C@H]2CN(Cc3ccncc3F)C[C@@H]2F)nc2ccccc21 2356325190 NKCBYROTBMJSOZ-YJBOKZPZSA-N 358.392 2.847 0 1 FFAF COc1cc2c(c(OC)c1OC)-c1cc(=O)c(OC)ccc1CC[C@@H]2N 59066538 AXGMAUGTYXHCAX-AWEZNQCLSA-N 357.406 2.694 0 1 FFAF biogenic,in-vitro COc1ccnc(C[S@@](=O)c2nc3cc(F)c(F)cc3[nH]2)c1OC 27551715 IBNUXJVMGNYKEY-DEOSSOPVSA-N 353.350 2.561 0 1 FFAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@H](O)[C@H](CO)C(=O)O 2356831295 JNZQQYUOGYYQLO-COXVUDFISA-N 356.459 2.994 0 1 FFAF O[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(CCCc2ccccc2)C1 2356846255 OLSAHLLCUASSTF-ROUUACIJSA-N 350.422 2.872 0 1 FFAF COc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c1 66258323 NRXVMCPLVSCSKF-UHFFFAOYSA-N 369.377 2.533 0 1 FFAF O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 75541053 RBZRGXIAPTXLNB-UHFFFAOYSA-N 368.462 2.588 0 1 FFAF CCN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C(C)C)ccc3n2)CC1 33010357 PIELUGOSPXTNFR-UHFFFAOYSA-N 370.453 2.669 0 1 FFAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CNc1ccccc1)CC2 72108798 DKMGQTRCRUANGA-LHSJRXKWSA-N 355.434 2.734 0 1 FFAF Nc1ncnc2c1c(Oc1cc(OC(F)(F)F)ccn1)nn2C1CC1 1911571627 KFGSYHBYOZUCEO-UHFFFAOYSA-N 352.276 2.829 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnsn4)ncc23)ccn1 261161906 RAKVOJCCPRXYLL-UHFFFAOYSA-N 366.410 2.502 0 1 FFAF COc1ccc(C(=O)N=c2nc3nc(-c4ccccc4)cc(C)n3[nH]2)cc1 473120743 PHYRXVMIYIMSTF-UHFFFAOYSA-N 359.389 2.783 0 1 FFAF Cn1ncc(NC(=O)c2ccccc2)c1N1CC[C@](C)(N)CC(F)(F)C1 473136377 QNBRZVFOXIKWRQ-KRWDZBQOSA-N 363.412 2.625 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCSCC1 587869408 JEGFIJSAARLVCR-UHFFFAOYSA-N 372.372 2.989 0 1 FFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587444356 OJTBRPXTUAAIHH-CNGGMSMOSA-N 371.433 2.924 0 1 FFAF CCOC(=O)[C@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513905 VIQVCOLHZHBXAF-HXUWFJFHSA-N 354.406 2.723 0 1 FFAF COC(=O)[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587441400 FGQFRXSNHRVJPU-CMPZQBNXSA-N 350.370 2.998 0 1 FFAF COC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398412 CPMNTXFCLKONAP-KRWDZBQOSA-N 371.389 2.844 0 1 FFAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)[nH]c2c(C)cccc2c1=O 587556818 ZTTHUHFHZHQOFS-UHFFFAOYSA-N 362.389 2.794 0 1 FFAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2n1 587174410 IZOZAZYZQBVXFQ-LBPRGKRZSA-N 353.357 2.607 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Nn3cccc32)N1 587767215 ADGBAAIBSJAMTB-XXFAHNHDSA-N 364.218 2.641 0 1 FFAF C[C@]1(c2cccc(O)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230997 RMJMGEPLSXBZQS-OXQOHEQNSA-N 352.365 2.942 0 1 FFAF CCn1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962702336 LJJKWWCCLOGPRE-KBPBESRZSA-N 357.307 2.749 0 1 FFAF O=S(=O)(Nc1ccc2[nH]ccc2c1)c1c(Cl)nc2n1CCS2 116605425 MPCOIYCMHATPAS-UHFFFAOYSA-N 354.844 2.924 0 1 FFAF Cn1c(=O)sc2cc(CCN3CCN(c4ccccc4)CC3)ccc21 13779680 DGHMFEZDVIXRST-UHFFFAOYSA-N 353.491 2.965 0 1 FFAF Cc1ccc(S(=O)(=O)Nc2ccc3c4c(ccnc24)C(=O)N3C)cc1 1857544334 MILWKZZNCUGRLZ-UHFFFAOYSA-N 353.403 2.934 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCc1ccccn1)c2=O 1857576122 CVJCRXQDDUSCND-UHFFFAOYSA-N 358.829 2.869 0 1 FFAF CCOc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857746210 SBIFDAHQVFNBRI-GFCCVEGCSA-N 366.414 2.974 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCOC 4153364 VIQQNXGYXJGVEN-PKOBYXMFSA-N 372.421 2.923 0 1 FFAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2 100390358 IBOZZWGMZPMXBO-SYQHCUMBSA-N 371.218 2.688 0 1 FFAF CC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCN(c2ccc(F)cc2)CC1 102437882 QARVMKHITSNGDR-HXUWFJFHSA-N 353.397 2.523 0 1 FFAF c1ccc2c(c1)CC(N1CC(Oc3nccnc3C3CCOCC3)C1)=N2 100620209 XORDPIRKYHOAQZ-UHFFFAOYSA-N 350.422 2.720 0 1 FFAF N=C(N)NCCCCCCCCc1ccc(CCCNC(=N)N)s1 28652717 KOUTWSKEEVKPDT-UHFFFAOYSA-N 352.552 2.530 0 1 FFAF COc1cc2c(c(O)c1OC)C[C@H]1NCCc3c(OC)c4c(c-2c31)OCO4 2356756744 IJXFJMGHVGWHIC-GFCCVEGCSA-N 371.389 2.557 0 1 FFAF O=C(NC(=O)c1ccccc1)NC1CCN(CCc2ccccc2)CC1 27991594 NHBLJMBPFAKRCI-UHFFFAOYSA-N 351.450 2.833 0 1 FFAF C=C1NN([C@H](C)C(=O)O)C(=O)N1c1ccc(OCc2ccccc2)cc1 36380768 KODDVVFQMRSBLJ-CYBMUJFWSA-N 353.378 2.957 0 1 FFAF COC(=O)C1=C(N2CCCCC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC 36152499 LKDSIRXDWPTAGQ-IFXJQAMLSA-N 359.447 2.714 0 1 FFAF COc1c(O)ccc2c1[C@@]13CCN(CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 34137071 HHLFEKGPFKSEJX-YUXAGFNASA-N 371.477 2.817 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)ccc3O)oc2c1OC 14436564 MPUJXMMGZIJDTB-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1 82069666 WWIWJGQZAQFPNU-CQSZACIVSA-N 368.499 2.918 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC)cc1 95872063 IGUCQBFRJUMBIM-JMMOYNIWSA-N 370.493 2.653 0 1 FFAF C[C@H]1CCc2cc(C(=O)N3CCC3)ccc2N1C(=O)c1ccc(O)cc1O 653667297 JMIVUIMGDJZLIG-ZDUSSCGKSA-N 366.417 2.925 0 1 FFAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C 587761947 RLKMKNRRCWKVCA-JDNHERCYSA-N 353.235 2.736 0 1 FFAF CCc1ccc2c(c1)NC(=O)[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239611 XIVIKCCQGQNPRN-UGKGYDQZSA-N 373.412 2.592 0 1 FFAF C[C@@]1(c2ccncc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707125 OKYOFRDLBNQHFD-CJNGLKHVSA-N 370.302 2.808 0 1 FFAF COc1ncccc1NC[C@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142007799 HUHNJZDIQNMLIE-GOEBONIOSA-N 361.467 2.589 0 1 FFAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)NCCc2ccccc2)cc1OC 5035898 GELUSSLIXXCJJG-JXFKEZNVSA-N 369.417 2.667 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 13153446 YKLKQIKUUSJQGC-QSCHSSRISA-N 365.429 2.652 0 1 FFAF COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1 13738289 VFVXNLBMVIUSTN-UHFFFAOYSA-N 351.454 2.652 0 1 FFAF CC(=O)c1ccc(OCc2cc(C(=O)N[C@@H](C)c3cnn(C)c3)no2)cc1 15070732 FYZNONZCRICVPO-LBPRGKRZSA-N 368.393 2.681 0 3 FFAF FC(F)(F)COc1ccnc(Nc2ccc([C@@H]3CNCCO3)cc2)n1 150008937 MXBIQLDSLDFMSA-ZDUSSCGKSA-N 354.332 2.822 0 1 FFAF O=c1c2cc(Br)cc3[nH][nH]c(cn1[C@H]1CN4CCC1CC4)c32 169694241 PBZWPISSKGJWPR-AWEZNQCLSA-N 361.243 2.840 0 1 FFAF O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166674638 HUKQLRIIAYRCBJ-SFHVURJKSA-N 366.421 2.538 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 101472753 WMTQJHVAIAVHRK-NJPIHQLLSA-N 367.449 2.610 0 1 FFAF CCCOc1cc(NC(=O)[C@@H]2CCCN(C#N)C2)ccc1-c1cc[nH]n1 1857615370 UMJZVKHSSKVFKA-CQSZACIVSA-N 353.426 2.997 0 1 FFAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)nc2N1C1CC1 1857759996 JQXBXHQMQGQGQT-CYBMUJFWSA-N 362.433 2.618 0 1 FFAF C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1cccc(Cl)c1 772232 QYNZKPVAEQBLHS-PXNSSMCTSA-N 372.852 2.800 0 1 FFAF COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 876895 PCMIHVHYLHCSMN-FTUNRGFVSA-N 366.417 2.981 0 1 FFAF C[C@H](NC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 4931492 MBWBTEGIFPLFOZ-HNNXBMFYSA-N 355.413 2.941 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4ccnn4c3)c(F)c2)C(=O)O1 103255117 GVLPPSBPDBMEHP-INIZCTEOSA-N 368.368 2.602 0 1 FFAF c1ccc(CCCN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@H]32)cc1 25410663 GACJMTBHCAXEIS-CLAROIROSA-N 353.462 2.960 0 1 FFAF biogenic Oc1cccc(-c2cc(N3CCOCC3)nc(NCc3ccccn3)n2)c1 66252060 HDCVSUFAOCYEIZ-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF CCCCO[C@@H]1C[C@@H]2CCN(C)[C@@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]21)OCO4 2356583759 GEZHQZVRFGIEGQ-RKOYFGKDSA-N 373.449 2.947 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(-c3ccc(F)cc3)cn1)C2 213162576 AMONCAYAQHJZKI-MRXNPFEDSA-N 370.340 2.970 0 1 FFAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccco1 49053735 NIIARFOTEBHQCS-HNNXBMFYSA-N 374.447 2.553 0 1 FFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC2CCCCC2)cc1 45384647 KGKYOWAETYGPNC-SFHVURJKSA-N 370.497 2.548 0 1 FFAF N=C(N)N1CCC[C@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 40949327 MTWDBXUMGXBRNN-HNNXBMFYSA-N 370.428 2.949 0 1 FFAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccccc2)C(=O)O)cc1OC 95592965 XEVSHLQVADFJBV-SXAWMYDMSA-N 356.374 2.956 0 1 FFAF C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 238750822 VXIXIHJLRHFDIK-YCXIAQJUSA-N 350.455 2.634 0 1 FFAF C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142927106 VOMITJFOPUYFCG-MRVPVSSYSA-N 360.311 2.574 0 1 FFAF COc1ccc(C(=O)c2cnn3c2[nH][n+](=O)c2ccc(Cl)cc23)cc1 377803472 DMXBJOBJUFQJRH-UHFFFAOYSA-O 355.761 2.623 0 1 FFAF C/C(=C/c1ccccc1)CN1CCC[C@@H](c2nnc3n2CCNCC3)C1 299843052 LMFPKOZYVGOJJT-RBAUTDOXSA-N 351.498 2.707 0 1 FFAF COc1ccc2c(c1)C(=O)O[C@@H](CCCn1nnnc1-c1ccccc1)C2 653711385 HLIQQUVHOWQPQW-KRWDZBQOSA-N 364.405 2.911 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(N)=O)CC2)N1 587750321 STEIFCPRJLGHNE-PWGATLRDSA-N 355.251 2.993 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCN(C)C1=O)O2 587394798 JBJRJHMOCMHDFR-IERDGZPVSA-N 350.418 2.916 0 1 FFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(O)cc2[nH]1 587202771 LIKMCRPREQWUOO-HNNXBMFYSA-N 355.350 2.711 0 1 FFAF COC(=O)/C(=C/c1ccccc1Cl)c1ccc2c(O)nc(O)nc2n1 587369286 YPOLBCPPDIQEBM-DHZHZOJOSA-N 357.753 2.803 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC(=O)O)[C@@H](C2)C3=O 587444139 YKCPLZINVGFCFF-XOBRGWDASA-N 354.358 2.821 0 1 FFAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587235850 QQIYJGJDKCLXNN-GJZGRUSLSA-N 365.389 2.991 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443896 MOWKKDHYNYTZEN-DINUWMAGSA-N 357.406 2.965 0 1 FFAF COc1cc([C@]2(C)NCCc3nc4ccccn4c32)cc(OC)c1OC 962987210 VDCZBXVJACZJJW-FQEVSTJZSA-N 353.422 2.769 0 1 FFAF COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 13812964 WIKYGSSBXDDJGE-UKMLZYKCSA-N 357.372 2.982 0 3 FFAF COc1cc(/C=C/C(=O)N2CCC=C(Cl)C2=O)cc(OC)c1OC 169331807 FYUJOKJNGDDZMU-VOTSOKGWSA-N 351.786 2.607 0 1 FFAF C/C=C/CC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721741 BDFGTWPACRAULO-ONEGZZNKSA-N 362.451 2.536 0 1 FFAF CCOCC(=O)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166699589 SPUMDKYTWWTQOO-UHFFFAOYSA-N 367.449 2.930 0 1 FFAF Cc1cc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)no1 207798140 PRYDBKAEXLQSAB-UHFFFAOYSA-N 369.331 2.923 0 1 FFAF Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)o1 1480294 BXZOMEVXBOXWEF-WOSRLPQWSA-N 368.311 2.692 0 1 FFAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(CC(C)C)CC2)cs1 2356290257 MYNPCIPSGDEHNS-INIZCTEOSA-N 367.559 2.693 0 1 FFAF COCCNC(=O)[C@@]1(C)C=CC2(CCCCC2)N1C(=O)c1ccccc1 7992802 MEMMYZDKVHBYKY-HXUWFJFHSA-N 356.466 2.923 0 3 FFAF COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1N 58591150 HOBRCUPPINHZRQ-UHFFFAOYSA-N 370.409 2.610 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)n1 2356301383 AGNXAGBKPIGIHG-RHSMWYFYSA-N 356.401 2.706 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305909 SERBDVPJCHKGDF-CHWSQXEVSA-N 359.401 2.594 0 1 FFAF Cc1nnc(Cc2nn(Cc3cnc(Cl)s3)c(=O)c3ccccc23)o1 64447568 JILXQOXCCOLCMY-UHFFFAOYSA-N 373.825 2.837 0 1 FFAF COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nnnn32)c1 101699285 DXNMOCVAUYIBSW-INIZCTEOSA-N 355.398 2.998 0 1 FFAF CC[S@](=O)C1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)[C@H]3C=C1 2356557392 MTBGIYVKFUMHIU-HEQWUDFDSA-N 359.491 2.737 0 1 FFAF CC(C)[C@@]12C=C[C@@](C)(O)CCC(=O)[C@@](C)(O)CCC=C(CC1)C(=O)O2 2356798829 SWVXEUGODIFBMQ-UFYCRDLUSA-N 350.455 2.846 0 1 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446688 LROJDEYJWCCVCX-OAGGEKHMSA-N 372.471 2.673 0 1 FFAF c1nc(NC2CCCCC2)c2cc(NCCN3CCOCC3)ncc2n1 40892648 QACKSTAQWHEHPY-UHFFFAOYSA-N 356.474 2.514 0 1 FFAF Cn1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1 144116869 XHDUNVAFUXAZFO-MRXNPFEDSA-N 367.409 2.603 0 1 FFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@]12O 255220838 JDRASYJDBQMJOH-NOMSFGAGSA-N 350.499 2.683 0 1 FFAF CC[C@@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@H]1c1ncc2cnc3[nH]ccc3n12 254145312 LUPCHAFIKZSOOK-LALPHHSUSA-N 373.482 2.565 0 1 FFAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCN2CCNCC2)cc1 299845773 ZNNUIBCEOFWILM-NGEZVKBWSA-N 353.554 2.919 0 1 FFAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ccccn1)C2 473170596 AYASHCNJGVARKM-ZVZYQTTQSA-N 360.421 2.520 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(N)(=O)=O)cc1 587871986 GGMQGZKGZUTJAK-UHFFFAOYSA-N 361.398 2.725 0 1 FFAF CCOC(=O)[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517745 UDGWHVSLLSZTIX-FQEVSTJZSA-N 354.406 2.723 0 1 FFAF CCOC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593002 BQNFPZABOYRCCU-XLIONFOSSA-N 372.373 2.692 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C1CC1)C(=O)C2 587583280 REIJNFUZOUZRHD-GHTZIAJQSA-N 365.385 2.877 0 1 FFAF CCN(CC)c1ccc(-c2nn(C(=O)NC)c(=O)c3ccccc23)c(O)c1 587666033 YBCXQEFWQFECHA-UHFFFAOYSA-N 366.421 2.803 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)O2 587397289 ZIWMZYKNQZVPEJ-IBGZPJMESA-N 360.410 2.839 0 1 FFAF CN(C)c1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514327 WNNSVSFCXXIPII-JOCHJYFZSA-N 367.445 2.803 0 1 FFAF COCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582453 LGAQALUJVASFTF-SFHVURJKSA-N 369.417 2.835 0 1 FFAF COc1ccc(C[C@@H]2CO[C@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642300 VHLUROMCVXTWNM-ZOCZFRKYSA-N 372.417 2.799 0 1 FFAF endogenous,in-man CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@@H]2O 169319423 ORTSQCPKYOSLAD-LJQANCHMSA-N 367.840 2.824 0 1 FFAF CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 169691198 XZESUBFBZKJUNK-VBSBHUPXSA-N 374.396 2.604 0 1 FFAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1 1857549217 PZAONSZLSYXIKY-UHFFFAOYSA-N 357.907 2.620 0 1 FFAF NCCOCCOc1ccc(-c2cccc(C(N)=S)c2)c2cc[nH]c12 1857621179 CSHDIMQCQMYCDZ-UHFFFAOYSA-N 355.463 2.823 0 1 FFAF C[C@]1(c2nccc3cc4c(cc23)OCO4)O[C@@H](O)c2c1ccc1c2OCO1 1857634480 XSKSWXVBZOKSJK-UXHICEINSA-N 365.341 2.977 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(SC[C@@H]3CCCO3)[nH]c2c1 6072828 WMLZKNVYQICLIZ-LBPRGKRZSA-N 369.512 2.912 0 1 FFAF CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 606170 PPLHNABOBXLAJU-UHFFFAOYSA-N 350.382 2.849 0 1 FFAF CCC(CC)C(=O)NC[C@@H]1O[C@@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 2356435313 BOMFPNNBNHXCPZ-IKGGRYGDSA-N 366.502 2.976 0 1 FFAF COc1ccccc1CCN(C)c1cc(-c2ccncn2)cc(=O)n1C 66066263 LRZMPHALOHIFQT-UHFFFAOYSA-N 350.422 2.530 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@@H]3C[C@@H]12 2356570604 PEYPCTZOXFDFFW-XCAKLJFFSA-N 354.450 2.750 0 1 FFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccccc1 2356839673 LWWGVRLFLZSZRQ-LMMKCTJWSA-N 374.554 2.567 0 1 FFAF Cc1cccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 45367743 BGYAOSLJUWGONG-GOSISDBHSA-N 370.449 2.676 0 1 FFAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(C(N)=O)c1=O 140747272 ZHULGZHZKJMDIJ-QMMMGPOBSA-N 355.772 2.987 0 1 FFAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436678 UCYIZNFXNMQXLX-VLIAUNLRSA-N 353.374 2.930 0 1 FFAF COC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1OC 587026179 VFUPCLVKYFZSIK-UHFFFAOYSA-N 368.465 2.791 0 1 FFAF COC1=COC(CO)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832244 JDAFFWMDCGRMRD-FVMDXXJSSA-N 370.218 2.712 0 1 FFAF CCCC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCC1 586877744 NDJGJOHUOZUIFV-UHFFFAOYSA-N 363.483 2.806 0 1 FFAF COC(=O)c1cc(OCC2CCC2)cc(C(=O)NC2CCC(O)CC2)c1 91689901 ZIQUFDNQPUYLDS-UHFFFAOYSA-N 361.438 2.685 0 1 FFAF COC(=O)[C@@H]1CCCN1C(=O)CCc1nnc(CCC2CCCCC2)o1 12089871 GYQWWBYIEFMCHC-HNNXBMFYSA-N 363.458 2.679 0 3 FFAF Cn1c(CN2CCN(c3cccc(F)c3)CC2)ccc1CN1CCCC1=O 13449368 MSFQABHSNMTPKD-UHFFFAOYSA-N 370.472 2.609 0 1 FFAF CN(Cc1ccccc1)C(=O)CCn1c(=O)c2cccn2c2cccnc21 15936311 TYWVKTABAJIOHE-UHFFFAOYSA-N 360.417 2.698 0 3 FFAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 4238066 GWBBDQAFPPWWFJ-UHFFFAOYSA-N 355.442 2.604 0 1 FFAF CC1CCN(CCNC(=O)c2nn(C)c3c2CCc2sccc2-3)CC1 20993186 VHFMFSOPEXXRCU-UHFFFAOYSA-N 358.511 2.709 0 1 FFAF O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 118668383 FQTGTVOVVRVTMG-GFCCVEGCSA-N 370.478 2.650 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 2356690955 ROUDCKODIMKLNO-OWLYRPNTSA-N 368.470 2.654 0 1 FFAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1 61907404 XLOXIPYNPKNLAY-IBGZPJMESA-N 365.426 2.518 0 3 FFAF COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@H](C2)NCC4)OCO3 13375396 SZMVKWFJCYTPOI-ZDUSSCGKSA-N 355.390 2.851 0 1 FFAF biogenic COc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1 49037342 IKKJKPILQDHCDI-UHFFFAOYSA-N 366.421 2.686 0 1 FFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO 195393149 BGNWPQMCQZSXKT-YHBROIRLSA-N 371.436 2.898 0 1 FFAF Cc1nc(COC[C@H]2CCC[C@]23CN([C@H]2CCOC2)CCO3)cs1 96160018 SJAMOHNIEGELHK-NJAFHUGGSA-N 352.500 2.628 0 1 FFAF O=C(NC1CCOCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 299828165 HAEXUVKAIDVGKX-GWCFXTLKSA-N 359.376 2.719 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C1)CC2=O 587485764 QUTZTCOPXJVATI-QJHWXYEWSA-N 359.422 2.521 0 1 FFAF Oc1cccc([C@H](O)c2nc3cccc(I)c3[nH]2)c1 586888107 BFEPOYGOVFEEIK-ZDUSSCGKSA-N 366.158 2.955 0 1 FFAF N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOC1 587247825 ZJZGLWORQYYXCX-LLVKDONJSA-N 361.037 2.662 0 1 FFAF COC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1OC 586969659 YURPDJINXXQPCI-UHFFFAOYSA-N 373.390 2.744 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CS(=O)(=O)C1 587494436 XGIBOLASWQCPFB-GOSISDBHSA-N 352.452 2.893 0 1 FFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)c(O)c2[nH]1 587256686 MVZIKGQJZVZCTC-SECBINFHSA-N 370.247 2.633 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(=O)C(=O)O)c1ccccc1 963260506 XNNBQMKNNBWVPI-IBGZPJMESA-N 359.809 2.782 0 1 FFAF CCOC(=O)[C@H]1CCc2ccccc2[C@]12NCCc1c(C(=O)O)cccc12 963125283 SPZMQNNXTFKQEG-DENIHFKCSA-N 365.429 2.900 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CNc4ccccc4C3)ncc12 1772652813 UMCFPMFKEAQLSC-LBPRGKRZSA-N 351.414 2.548 0 1 FFAF COc1ccc(CN2C[C@H](C)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1 15935168 PBQCYSLSSRWWMC-OXJNMPFZSA-N 366.461 2.996 0 3 FFAF C[C@H]1O[C@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 17187650 VNYPKNHJPZZNQO-NKGKWGDASA-N 356.374 2.565 0 1 FFAF C=C1C(=O)C[C@H]2C(=C)C(=O)O[C@@H]2C=C(COC(=O)C(C)C)CC[C@@H]1OC 253680304 YLBYHUBFUJYTCZ-RYQLBKOJSA-N 362.422 2.534 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O 2356289686 XVHIBAHIVJXLAF-SFHLNBCPSA-N 358.482 2.796 0 1 FFAF CCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)O)c2)c1=O 100818273 TXUMUPMKPGNGBR-UHFFFAOYSA-N 354.362 2.838 0 1 FFAF COc1ccc(CN2C[C@H]3CC[C@@H](O)[C@@H]2CN3Cc2ccccc2)cc1 28825428 UKLXQJXIZVDGOI-BAGYTPMASA-N 352.478 2.905 0 1 FFAF O=C(NCc1cc(Cl)cc(Cl)c1)c1csc(COCCO)n1 61895665 XBBFABDVYRUNBH-UHFFFAOYSA-N 361.250 2.889 0 3 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)nc1 29038960 OWBARBINAIAWGA-UHFFFAOYSA-N 368.340 2.752 0 1 FFAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@@H]3[C@@]2(C)CC[C@H]1O)[C@]5(C(=O)O)C4 2356664462 VURGZLDGPWHDST-YJXVCTFBSA-N 362.466 2.854 0 1 FFAF O=C1Nc2ccc(Br)cc2[C@]1(O)c1c[nH]c2c(O)cccc12 2356789168 CZEYDJOIQBTASB-INIZCTEOSA-N 359.179 2.824 0 1 FFAF O=C1Nc2ccc(Br)cc2[C@@]1(O)c1ccc(O)c2[nH]ccc12 2356794236 LBPCLLWDFLWBMJ-INIZCTEOSA-N 359.179 2.824 0 1 FFAF COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C)c3ccccc32)CC1 2356802921 WNUQFMZYDRXEEY-QGZVFWFLSA-N 351.450 2.577 0 1 FFAF NC[C@@H]1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1 67872606 ODGPOTUAKZFXCW-AWEZNQCLSA-N 372.856 2.685 0 1 FFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1 62224842 RIQDTIPATXJLMH-INIZCTEOSA-N 351.431 2.637 0 1 FFAF CC(C)CNC(=O)c1cnc(NCCCn2ccnc2)nc1NCC(C)C 45302395 XYQMQPPIAHNQFG-UHFFFAOYSA-N 373.505 2.629 0 1 FFAF O=C(CN1CCCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1CN1CCCC1 45353926 AHICVIPDNRBCSE-FQEVSTJZSA-N 366.509 2.785 0 1 FFAF COc1c(N2CCOCC2)ccc2cc(C(=O)Nc3ccncc3)oc12 49089970 GZKKGYINQXYTLF-UHFFFAOYSA-N 353.378 2.925 0 1 FFAF Cc1c(-c2ccccc2)c(C(N)=O)c2n1CCN(C(=O)NC(C)(C)C)C2 199016328 IHCAQZGWVDHTNR-UHFFFAOYSA-N 354.454 2.886 0 1 FFAF CN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)O)N2c2ccccc2)CC1 84410031 FZTNNQMGBAILQG-LJQANCHMSA-N 364.449 2.958 0 1 FFAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccccc3)ncnc21 82221661 DYMSTTUAXDDXPY-UHFFFAOYSA-N 352.442 2.698 0 1 FFAF COC(=O)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 144781921 CZTDWBZJCVBLQL-UHFFFAOYSA-N 366.808 2.987 0 1 FFAF CCOC(=O)[C@](O)(c1ccc(N=c2ccccn2C)cc1)C(F)(F)F 263591967 ZMIOOEURGBTSBE-MRXNPFEDSA-N 354.328 2.571 0 3 FFAF O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]12Cn1nncc1CO2 473083630 CDEDAIAGTNYSKU-IBGZPJMESA-N 366.808 2.904 0 1 FFAF C[C@]1(n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCS(=O)(=O)C1 587660854 HVNXYCWVIZUMER-IBGZPJMESA-N 372.421 2.736 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cnc2[nH]1 586961275 GYDLIYSJLJUOOU-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807683 XSJUFTQDWFIYQT-UHLUBPPHSA-N 368.206 2.722 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587230488 HFEHEFNUPINLNU-NEPJUHHUSA-N 350.850 2.956 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587231403 NWIXAVSALIWIGC-ZJUUUORDSA-N 354.813 2.787 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)N(C)[C@@H]1C 587393746 LEIIZBLYTUITNA-XCLFUZPHSA-N 351.406 2.563 0 1 FFAF COC1(OC)CCOC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587834926 NKGKYXUWEGMZGQ-ZUZCIYMTSA-N 374.250 2.727 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(F)(F)F)N1 587708531 YRKHAZIGPJTQKA-ULHQUTTKSA-N 356.113 2.965 0 1 FFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587785811 OXKOSYWXIVYCOX-KBPBESRZSA-N 372.402 2.753 0 1 FFAF COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584421 XUTAZUIYGMLBTP-INIZCTEOSA-N 369.373 2.955 0 1 FFAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cnnc(O)c2[nH]1 587258242 CAZGRIZTMXBROB-AWEZNQCLSA-N 362.393 2.630 0 1 FFAF COc1ccc([C@@H](c2ccc3cccnc3c2O)N2CCOCC2)cn1 144579183 HSBWKQNIUAMKKU-IBGZPJMESA-N 351.406 2.766 0 1 FFAF CN(C)[C@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO 1772618236 ROZYQPYBANRXCZ-OXJNMPFZSA-N 370.474 2.961 0 1 FFAF C[C@@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@@H]1C(=O)O 169718078 LVYRKTPGSHTFQA-UYNUJQBQSA-N 363.464 2.936 0 1 FFAF COC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166989561 TZCLHPNTRILBTH-AWEZNQCLSA-N 353.422 2.999 0 1 FFAF OC1(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCNCC1 205250559 FORXCJRKNHYUBC-UHFFFAOYSA-N 372.432 2.653 0 1 FFAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccnc2)C1=O 1857541923 XMHDSSGOIGKARI-GOSISDBHSA-N 365.477 2.911 0 1 FFAF Cc1n[nH]c(C)c1-c1nc2cnccc2c(=NC(C)(C)CCN(C)C)[nH]1 1857559478 SHWYBGOPBDGSKM-UHFFFAOYSA-N 353.474 2.596 0 1 FFAF Cc1cn(C[C@H]2CN(c3ccc(-c4cc(C)no4)c(F)c3)C(=O)O2)nn1 3986856 UYUSCBFTOMYJQX-ZDUSSCGKSA-N 357.345 2.714 0 1 FFAF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCOCC1 103199230 CXODWEFZUMSPDL-VOTSOKGWSA-N 360.417 2.806 0 1 FFAF COC(=O)[C@@]12CC3(CC[C@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 102643302 FIBTWTLJSKPPQB-VVSXZNEBSA-N 370.445 2.780 0 1 FFAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc(O)c2)cc1 62224855 NWVMSONPZXJTBP-HXUWFJFHSA-N 360.413 2.886 0 1 FFAF CN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3nn(C)cc32)CC1 26575626 MJDDCQXVUIFPIZ-UHFFFAOYSA-N 364.375 2.822 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@]2(O)C[N@@]12 2356471524 YXDQYQYESXZUJA-CKDOJEFOSA-N 354.494 2.916 0 1 FFAF CC=C(C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@H](C(C)C)CC(=O)[C@]12C 2356489367 UXXJAHJNHYCPJW-ZSXHRAQDSA-N 350.455 2.559 0 1 FFAF CC1=C(CC[C@]23COC(=O)C2=CCC[C@H]3O)C(=O)O[C@@H](c2ccoc2)C1 2356695960 CWWUMNIILGRGJX-HLIPFELVSA-N 358.390 2.989 0 1 FFAF COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(O)c3c2=O)cc1N 73240121 FYIYEOHNQMLOBC-UHFFFAOYSA-N 373.361 2.782 0 1 FFAF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1coc(-c2cccs2)n1 82085931 KLQOIMCUUZOKAB-CQSZACIVSA-N 372.402 2.803 0 1 FFAF CCOC(=O)CN1C(=O)S[C@@H](Cc2ccc(OC(C)C)cc2)C1=O 98085021 OCQPNDHHPKWDHM-AWEZNQCLSA-N 351.424 2.643 0 1 FFAF COc1ccc2c(=O)n3c(nc2c1)-c1[nH]c2cc4c(cc2c1CC3)OCO4 45286767 XQLMMQLYXOMQKO-UHFFFAOYSA-N 361.357 2.838 0 1 FFAF biogenic C[C@@]1(c2cccc(O)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(O)c1 299828992 JSZCJTFFFLFQBJ-FSGKZVOOSA-N 355.390 2.599 0 1 FFAF CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12 653854049 XERNGQWEFNQBQG-UHFFFAOYSA-N 360.414 2.565 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(N)(=O)=O 587871811 DPLXTIJADZPLKH-UHFFFAOYSA-N 361.398 2.725 0 1 FFAF C=CN1CC[C@@H]([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394892 JWCPXEXOOBMICP-VFNWGFHPSA-N 363.417 2.825 0 1 FFAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 586973081 NJRSGWFHDWWJJH-KRWDZBQOSA-N 355.467 2.838 0 1 FFAF N=c1nc(O)c2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2[nH]1 587067907 UOCRKDQHCVCWBI-UHFFFAOYSA-N 367.796 2.951 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(O)nn1 587862160 GBHHMQWSBJAEPS-UHFFFAOYSA-N 364.283 2.762 0 1 FFAF O=C(c1ccc(N2CCOCC2)nc1)n1nc2cc1Oc1ccc(F)cc1-2 587875242 IFWJTJRJDKPPAC-UHFFFAOYSA-N 366.352 2.715 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587178289 ZIMDVWMNRBELQD-UHFFFAOYSA-N 354.794 2.668 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(Cn1cc(Br)cn1)[C@@H](C2)C3=O 587417434 KLSBBKBULWQCBW-LRDDRELGSA-N 363.211 2.861 0 1 FFAF N=C(N)c1cccc([C@H]2Oc3ccccc3N(CCCCCN)C2=O)c1 12354893 WPKJUNDVBQJBLS-GOSISDBHSA-N 352.438 2.566 0 1 FFAF O[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 13123722 PMLQNCYFCMZPGS-VXGBXAGGSA-N 367.249 2.824 0 1 FFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)Nc2ccccc2)cc1 13493926 PJEBPBYKRIOZCA-QGZVFWFLSA-N 362.433 2.562 0 1 FFAF COc1ccc([C@H]2c3cc4c(cc3[C@H](O)[C@@H]3CCC(=O)N23)OCO4)cc1 17257201 MREHBXFNHVGEBG-YSSFQJQWSA-N 353.374 2.551 0 1 FFAF COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OC 169341324 WKIBVCUQGIAFNQ-FVQBIDKESA-N 363.454 2.990 0 1 FFAF CCOC(=O)[C@H]1CN2C(=NC(=O)C2(c2ccccc2)c2ccccc2)S1 163190309 LLWVWQYDADULBL-MRXNPFEDSA-N 366.442 2.807 0 1 FFAF Cc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cn1 205505307 DQFUJEZGAUMKKT-FQEVSTJZSA-N 353.466 2.532 0 1 FFAF Cc1ccc2oc(-c3ccc(F)cc3)c(OCc3nn[nH]n3)c(=O)c2c1 1857574480 DXOKCSWFXSIVCA-UHFFFAOYSA-N 352.325 3.000 0 1 FFAF Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 1857579771 XZBHHMXMBIDGTB-AWEZNQCLSA-N 371.466 2.772 0 1 FFAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)NC2CCCCC2)CC12CC2 1857648638 ZBOAMZJNYRMYAY-INIZCTEOSA-N 368.485 2.901 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@H]1[C@@H]2C(=O)OC 2356449302 HZRZXZZTSRUSLH-FDPIWHGQSA-N 354.450 2.813 0 1 FFAF COc1cc2c(C(=O)NCc3ccc(F)cc3)cn(C)c(=O)c2cc1OC 4827092 FBHSYQGSQAAIBO-UHFFFAOYSA-N 370.380 2.625 0 1 FFAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC 104060003 OJYPPXSTOWDETN-IBOXJLQUSA-N 373.413 2.972 0 1 FFAF COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC 28567449 AVPFTLVHBYTTEU-UHFFFAOYSA-N 371.393 2.977 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356343447 OYPPJMLKAYYWHH-VKESLTNKSA-N 368.470 2.545 0 1 FFAF NC(=O)c1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117629451 JSCUBNUNKHFKPC-KXBFYZLASA-N 360.417 2.606 0 1 FFAF CN1C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 2356800755 REPYZBXULPHQIV-UXHICEINSA-N 361.445 2.621 0 1 FFAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccc(F)cc3)[C@H]1C2 73129268 NSAVQSFUFNJFAX-KBXCAEBGSA-N 355.369 2.855 0 1 FFAF COc1cc2oc(-c3cc(O)c(OC)c(O)c3)cc(=O)c2c(O)c1OC 14437143 MDBCIIGAFMRLQN-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic O=S1(=O)CCN(c2ccc(-c3cccc(Cl)c3Cl)nn2)CC1 45392285 MSGBHLWIPPPINN-UHFFFAOYSA-N 358.250 2.685 0 1 FFAF O=C1NCCc2[nH]c(-c3cccc4ccc(O[C@@H]5CCCNC5)nc34)cc21 222446302 NTBQVSFBQPCPSN-CQSZACIVSA-N 362.433 2.647 0 1 FFAF O=C1O[C@H](O)C(c2cccc(C(=O)Nc3ccccc3)c2)=C1Br 84688140 RERLOUOHNLANCV-INIZCTEOSA-N 374.190 2.920 0 1 FFAF Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1 143092494 SFXYJQNTPIQCFO-UHFFFAOYSA-N 359.437 2.770 0 1 FFAF COc1ccc2c(c1O)-c1c3c(c(OC)c4ccnc(c14)C2=O)OCO3 238749321 UVEDWBRHDVYIIS-UHFFFAOYSA-N 351.314 2.898 0 1 FFAF COc1cc(OC)c(-c2oc3cc(OC)c(O)cc3c(=O)c2OC)cc1O 59762532 NJPHRQLOFYMRLS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 473132720 VCDLSNHPAIHNNG-LLVKDONJSA-N 370.388 2.808 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCN(C)C1=O)[C@@H](C2)C3=O 587434995 CTKKJQJZTNTJQJ-HOIFWPIMSA-N 363.413 2.816 0 1 FFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnccc2[nH]1 586934495 AGKYWDVLVJUHNH-AWEZNQCLSA-N 362.480 2.731 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@]1(CCCN1Cc1ccccc1)C3 587557918 MRXYUQYFMROEPL-OAQYLSRUSA-N 362.433 2.960 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(F)c2[nH]1 587566276 DQEKKRHNBDXAFP-UHFFFAOYSA-N 352.406 2.929 0 1 FFAF CCN1C(=O)C[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@H]1c1ccccc1Cl 587061608 ONEVHOXIPFCBGW-BMIGLBTASA-N 357.801 2.789 0 1 FFAF CN(C)CCOc1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587251753 MSAXHNARSOOJOG-UHFFFAOYSA-N 352.438 2.901 0 1 FFAF CC(C)[C@]1(CS(=O)(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587530150 DXBBBRGRXMNJEX-LJQANCHMSA-N 365.495 2.817 0 1 FFAF COC(=O)c1ccnc2[nH]c(CCCc3ccc(OC)cc3OC)nc12 587928828 NHMMVOJYMCAKIC-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)cc4c1OCOC4)[C@@H](C2)C3=O 587454835 YWEWOTYOGDCLGD-DJJJIMSYSA-N 368.341 2.749 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(OC(F)(F)F)c2[nH]1 587204958 WCIHCZIUXZRZLJ-JTQLQIEISA-N 372.347 2.540 0 1 FFAF CCn1ncc([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1C 963231849 ZZRJSPMFQZKKGX-QUCCMNQESA-N 350.422 2.622 0 1 FFAF COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NCc2cccs2)c1 3364307 LPIYECWPTXMGFK-VMPITWQZSA-N 361.419 2.638 0 3 FFAF COc1cccc(C[C@@H]2COc3c(OC)c(O)c(C)c(OC)c3C2=O)c1O 13481980 VYQRDDWHTRSYGE-GFCCVEGCSA-N 374.389 2.866 0 1 FFAF biogenic COc1ccccc1N1CCN(CCCCN2CS[C@H](C)C2=O)CC1 13759344 BOYYCGOYSQSWQQ-MRXNPFEDSA-N 363.527 2.519 0 1 FFAF CCOC(=O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)c1ccccc1 13807325 SFSXDAXQZZUSLZ-IRXDYDNUSA-N 370.453 2.888 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)O[C@H]1C[C@@H]2CCN3C(=O)CC[C@H](C1)[C@H]23 15935328 SPDPIEGAKWGPTG-AZGFTEDZSA-N 358.394 2.753 0 3 FFAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)C1CCCCC1 169343974 NCVOUIQDCDHTBQ-UHFFFAOYSA-N 354.498 2.940 0 1 FFAF C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@](C)(O)C(=O)C3(C)C 169720413 LOSUIZTUIRLEGL-FQEVSTJZSA-N 356.374 2.702 0 1 FFAF CC(=O)c1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 205134306 IVXHYFVGGNIQBB-UHFFFAOYSA-N 366.417 2.970 0 1 FFAF NC(=O)[C@H]1CCCN([C@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 101403007 FBQPVRNOIUERMB-AGGDQXJMSA-N 365.468 2.591 0 1 FFAF COc1ccc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)cc1OC 767842 XGADFVZPJOFDFC-NRFANRHFSA-N 368.433 2.803 0 1 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)c2ccccc2)CC[C@]1(C)O 2356288636 IFPSLPNCXWJTBQ-ZVDOUQERSA-N 352.434 2.530 0 1 FFAF Cc1ccc(CN(C)C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 101821023 PPPUPFCXAZKVHC-HTAFUYNTSA-N 371.477 2.828 0 1 FFAF Cc1occc1C(=O)CC[C@H]1[C@H](C(=O)O)CC=C2C[C@@H](O)[C@H](O)C[C@@]21C 59586360 HTSSPBVEQPBHAG-FHHNZLSQSA-N 362.422 2.720 0 1 FFAF biogenic,in-vitro COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3[C@@H]2CO)ccc1O 2356554338 UVDICCHWGJQZBX-VBKZILBWSA-N 358.390 2.625 0 1 FFAF COc1cc(CC(=O)c2cc(C=CC(=O)O)cc(OC)c2O)ccc1O 2356654610 DUMIVGACFOEVLP-UHFFFAOYSA-N 358.346 2.638 0 1 FFAF COC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49111156 DZGCJIXUSTYSDL-UHFFFAOYSA-O 369.401 2.670 0 1 FFAF C=CC(=O)N1CCc2ccc(-c3ncnc4[nH]cc(C(=O)OCC)c34)cc21 261133928 LRCIRMQTPNPPBZ-UHFFFAOYSA-N 362.389 2.877 0 1 FFAF C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C1=O 85647399 AIAKMTCFBQTAGM-KKXDTOCCSA-N 365.477 2.909 0 1 FFAF biogenic CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@H]3C(C)(C)CCC[C@@]23C)C1=O 85845001 OGRYTGWNPQIVMO-JXFKEZNVSA-N 360.406 2.819 0 1 FFAF biogenic O=S(=O)(O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587091225 CLBULMZQXXOZTB-UHFFFAOYSA-N 361.301 2.960 0 1 FFAF O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2CN1 586990005 TXZKCTIRMNVICL-GWCFXTLKSA-N 356.381 2.928 0 1 FFAF COc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 587092859 BEWULIOITGBYRD-ZDUSSCGKSA-N 358.345 2.724 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(C(O)O)CC2=O 587485064 YLQADNBCWGRUBH-FQEVSTJZSA-N 358.390 2.525 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 587409912 XUBQJVUDOLTAGQ-XUVXKRRUSA-N 357.406 2.761 0 1 FFAF Cc1ccc2c3c(c(CCNS(C)(=O)=O)cnc13)-c1ccccc1C2=O 587103317 WBNRNTUAMCHWIL-UHFFFAOYSA-N 366.442 2.846 0 1 FFAF COC(=O)c1cc2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2cc1OC 587787739 XPONDVDQBUVCLU-UHFFFAOYSA-N 370.361 2.855 0 1 FFAF Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 587134079 LCBPYSKTPMXGMM-UHFFFAOYSA-N 373.331 2.906 0 1 FFAF COc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1 1772640118 VUKPYAYVXNDTIK-MRXNPFEDSA-N 373.359 2.827 0 1 FFAF COc1ccnc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 13746105 BMQIBDSKDKZQRI-RUZDIDTESA-N 356.451 2.650 0 1 FFAF Cc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 169711687 XMIYMGKNFBVPTI-UHFFFAOYSA-N 363.469 2.861 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCCc1ccncc1)c2=O 1857601569 OIKITSGWINLCJI-UHFFFAOYSA-N 372.856 2.912 0 1 FFAF CC(C)n1c(C(F)(F)F)nc2cc(-c3nc(S(C)(=O)=O)n[nH]3)ccc21 1857637516 BLDOQHXWSWQEAA-UHFFFAOYSA-N 373.360 2.825 0 1 FFAF CO[C@@H]1CC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857757674 JDHUWVSIHYESBZ-LSDHHAIUSA-N 374.387 2.681 0 1 FFAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NC[C@@H](O)CO 776316 BXMXXYKDMUJHRZ-SNVBAGLBSA-N 370.808 2.515 0 1 FFAF Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1N1CCCC1=O 4991261 GTEGQLVUWXXXEU-UHFFFAOYSA-N 352.390 2.781 0 3 FFAF N=C(N)Nc1ccc([C@H]2CC(=O)O/C(=C\I)C2)cc1 27430858 COQHRXZDELUWKF-MDXIRLPMSA-N 371.178 2.689 0 1 FFAF CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 28265556 GOKJSEZDCPHHHR-KRWDZBQOSA-N 355.390 2.656 0 1 FFAF O=C1c2ccccc2O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 26278420 ZXWVERUXDGSJGM-LJQANCHMSA-N 366.461 2.812 0 1 FFAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H](OC(=O)[C@H]2O)O1 2356464476 LHLNSAQPWLVQGX-FEZYCPBGSA-N 374.550 2.769 0 1 FFAF CC[C@]12C=CCN3C[C@H](OC)[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 2356513446 ZPFAJIIDARZSTK-XGARDCMYSA-N 366.461 2.846 0 1 FFAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1n1ccccc1=O 27872704 JOOAXWGGACJWCR-KRWDZBQOSA-N 353.422 2.905 0 1 FFAF CC[C@]12CCC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 1625201 OQLYVMALDCKIQD-HKBOAZHASA-N 352.434 2.972 0 1 FFAF biogenic O=C(Nc1cccnc1)Nc1cccc(OCCCN2CCOCC2)c1 43075921 CYWFZBKLEFZWNU-UHFFFAOYSA-N 356.426 2.827 0 1 FFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 40737677 FNKNQFGGIZMZKI-WSTZPKSXSA-N 371.525 2.772 0 1 FFAF CCOc1ccc2[nH]nc(-c3cc(N4CCN(C5CC5)CC4)ncn3)c2c1 221342034 RVKXFVPOGXTFFB-UHFFFAOYSA-N 364.453 2.703 0 1 FFAF O=C(NC(=S)NNc1ncnc2ccccc12)c1ccc(Cl)cc1 84653091 NRNGWOZMJUXJCO-UHFFFAOYSA-N 357.826 2.915 0 1 FFAF COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)c2c1 141652237 KBVZYVDFFQIVIW-BLDHALOPSA-N 350.418 2.835 0 1 FFAF COc1ccc(-c2cc(CNC(=O)[C@@H](N)Cc3ccccc3)on2)cc1 95552247 QWBFVBZLYKQEBV-SFHVURJKSA-N 351.406 2.536 0 1 FFAF CC[C@@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2cc(OC)ccc24)[C@@H]13 238786482 BMRRMMBNTOVFKD-AJQWGZMRSA-N 354.450 2.920 0 1 FFAF CC1=C[C@H](c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1 473128117 YLNMTWJLWGZRCK-GOSISDBHSA-N 359.433 2.926 0 1 FFAF COc1c(Br)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 299838157 LRMRDJIHLZISDK-UHFFFAOYSA-N 359.245 2.565 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(O)c(C(=O)O)cc31)O2 587393860 APNIAGWBYIBNMS-IBGZPJMESA-N 354.362 2.573 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1COC(=O)C1)[C@@H](C2)C3=O 587453624 PIUOMXMREOXMCB-WDUKFBBWSA-N 350.370 2.901 0 1 FFAF O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586886570 BKPIFFWFGHVJAR-ZCFIWIBFSA-N 356.222 2.979 0 1 FFAF FC(F)c1c(-c2nc3ccc(Br)nc3[nH]2)cnc2ncnn12 587128118 GVEJARMCVSCGRX-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O 587440969 BXAACSCVGIGJLN-HRAATJIYSA-N 366.417 2.590 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cnc(-c3ccncn3)s1)NCC2 962934054 IWKPALGIDCOXTR-QGZVFWFLSA-N 365.462 2.537 0 1 FFAF CN(C1CCCC1)C1CCN(C(=O)CNC(=O)/C=C/c2ccccc2)CC1 5057794 BLYRUDXXTLJBPA-VAWYXSNFSA-N 369.509 2.681 0 3 FFAF C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C 15267014 KKDRQZCQNSHBHY-MGDKSHQASA-N 374.389 2.582 0 1 FFAF biogenic,in-vitro COc1ccc(Cn2ccc(=NC(=O)Cc3ccc(N(C)C)cc3)[nH]2)cc1 1857644633 OZPRELOEKQERJE-UHFFFAOYSA-N 364.449 2.609 0 1 FFAF COc1ccc(N2C(=O)CN(Cc3ccccc3)C2=S)cc1N(C)C 1857647498 UNBCTWQXBCTJPR-UHFFFAOYSA-N 355.463 2.895 0 1 FFAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]3(C)CNC(=N)NC 2356424337 OFXXABHJXYDTNN-QEUSRBKZSA-N 363.502 2.610 0 1 FFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2cccnc2)cc1 2356409608 NKARFOXMMRXQCL-GFCCVEGCSA-N 353.378 2.729 0 1 FFAF O=C1c2c(Br)sc(Br)c2[C@H]2OC(=S)N[C@@H]12 6523912 UISCDXVFACZDIU-WVZVXSGGSA-N 369.059 2.784 0 1 FFAF CCCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216425 OVAQLCQYEGUAMX-FZMZJTMJSA-N 354.838 2.995 0 1 FFAF COC(=O)[C@@H](CCSC)NC(=O)CCCCc1ccc2c(c1)OCO2 64251778 SLYKUFPBEZAMLF-CQSZACIVSA-N 367.467 2.539 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CCC[C@H](C)[C@]21C 2356498787 IUCVWQKXCCLBGN-LTOURNJMSA-N 350.411 2.897 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@H](O)[C@H]1O 2356509944 HRRWPOOLLFZIQU-RBUKOAKNSA-N 354.358 2.731 0 1 FFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@H](CC(=O)C[C@]3(C)CO)[C@H]2CC1 2356580231 NHDNEERFVCQDDL-ZUHHCLADSA-N 364.482 2.641 0 1 FFAF COc1ccc(C=C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1O 2356626706 GRODRRJBLWFRFZ-HNNXBMFYSA-N 368.385 2.971 0 1 FFAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 95601269 JUMZJYBEXFPJID-HXUWFJFHSA-N 365.433 2.603 0 3 FFAF O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 653680469 PQOKBQCVPUXWDC-RZLSGREXSA-N 368.481 2.902 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 586943975 DGRLRAACDALGDK-UHFFFAOYSA-N 354.819 2.537 0 1 FFAF NC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041977 GHJFUPVFHCGNKN-CQSZACIVSA-N 372.837 2.971 0 1 FFAF Cc1cc(-n2c(O)cc(CCC(=O)O)c2O)nn1Cc1ccccc1F 587946567 ZIQIHUMPVBYBOV-UHFFFAOYSA-N 359.357 2.598 0 1 FFAF CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454687 WBIAONVWBYXIKA-JLTOFOAXSA-N 360.406 2.561 0 1 FFAF C=CN1CC[C@@H]([C@@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587450995 HOPAAVHJVHVZSP-PJIJBLCYSA-N 359.447 2.536 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)nc(S)n2)N1 587842108 DCLVMSFYCKPBCJ-UANNBLPKSA-N 370.247 2.996 0 1 FFAF NS(=O)(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021775 PJVNMOBFDGKUHN-UHFFFAOYSA-N 370.459 2.925 0 1 FFAF Cn1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)n1 963182619 PGPKKCVFOOAMDP-BONVTDFDSA-N 373.762 2.955 0 1 FFAF Nc1nnc(CS(=O)(=O)c2c[nH]cc2-c2ccc(Cl)cc2)s1 1772647123 YKJWOPBCYZAXHG-UHFFFAOYSA-N 354.844 2.743 0 1 FFAF CCN(CCn1cccn1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11712703 CCXSTHUXBVVOBE-GOSISDBHSA-N 360.502 2.551 0 3 FFAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)cc1F 13595757 VVLCKTHHOQBQIM-MRXNPFEDSA-N 373.428 2.769 0 3 FFAF COc1cccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)n1 13746149 OVUZAPYDMMHSPI-RUZDIDTESA-N 356.451 2.650 0 1 FFAF O=C(O)C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 13781424 XOCCSXZPWVAFGY-ZDUSSCGKSA-N 367.188 2.993 0 1 FFAF CCOc1cc(C(=O)/N=c2\sccn2C)cc(Br)c1OC 15940887 LWFVUJKQDWOIST-PEZBUJJGSA-N 371.256 2.998 0 1 FFAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCOCCO 4213605 APUIXQYQDYSRKC-DLBZAZTESA-N 368.499 2.887 0 1 FFAF Cc1ccccc1NC(=O)CN1C(=O)CCn2nc(-c3cccn3C)cc21 8609458 FOJSKLQYGAEMAW-UHFFFAOYSA-N 363.421 2.572 0 1 FFAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@H](C)N1 103282154 FUKRPRFEHOSVRT-STQMWFEESA-N 357.454 2.641 0 1 FFAF O=C1c2ccc(-c3ccc(Br)s3)nc2CCC1(CO)CO 66077288 AMNSSSDUZRBPBO-UHFFFAOYSA-N 368.252 2.673 0 1 FFAF CN(Cc1ccc(Cl)c(Cl)c1)c1cnc2nc(N)nc(N)c2n1 29224063 JCKOETYVOVTWAQ-UHFFFAOYSA-N 350.213 2.527 0 1 FFAF O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)c2ccccc2)[n+]([O-])c1 29569454 QJNZYFGFGSGTJJ-UHFFFAOYSA-N 372.377 2.544 0 1 FFAF COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2C)c1 73196633 CDNDJQNTIHXAGY-UHFFFAOYSA-N 361.405 2.902 0 1 FFAF COc1cc(-c2nncn2-c2ccc3c(c2)CCN3C)cc(OC)c1OC 35259117 JIARKQLVYVMFPZ-UHFFFAOYSA-N 366.421 2.952 0 1 FFAF CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 73329757 RDDNWFZAOGLFIU-UHFFFAOYSA-N 371.437 2.632 0 1 FFAF CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1 225672197 VOBPFWQIRFFCBS-UHFFFAOYSA-N 365.437 2.691 0 1 FFAF CCNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432762 MZQOZXOEEJNEPL-IERDGZPVSA-N 367.401 2.699 0 1 FFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cnnn1 587859064 BGALZVDOTIHQDO-UHFFFAOYSA-N 367.196 2.583 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CN(CC(=O)O)C=C2)N1 587771149 FLEITHMYJQBPHD-JTQLQIEISA-N 367.218 2.745 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C 586933948 ZUQCPWCAWOQUFJ-OAHLLOKOSA-N 369.487 2.997 0 1 FFAF CN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169271 AIGVJRXAFPMXOH-UHFFFAOYSA-N 373.331 2.940 0 1 FFAF NC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119516 DQCSVOMQTRMLDS-UHFFFAOYSA-N 363.343 2.804 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncnc1N1CCOCC1)O2 587379621 JROKJRLGYBXJAX-AWEZNQCLSA-N 374.828 2.564 0 1 FFAF Cc1nccc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587203446 QHCHBYXCJSVTEY-AWEZNQCLSA-N 354.366 2.709 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1O)O2 587402167 ZCHNHWYYTGICLC-LJQANCHMSA-N 354.406 2.826 0 1 FFAF CCc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239608 XIVIKCCQGQNPRN-DENIHFKCSA-N 373.412 2.592 0 1 FFAF OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NC2CCSCC2)CC1 12192226 JPJLZTKPIGHXHM-KRWDZBQOSA-N 362.543 2.548 0 1 FFAF O=C1N=Nc2nc(CN3CCN(c4ccccn4)CC3)nc3cccc1c23 169710155 DCPOUBASDJJJEG-UHFFFAOYSA-N 359.393 2.585 0 1 FFAF CC1(C)Oc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2NC1=O 1256067676 ZDVQXBXGWXMIJV-UHFFFAOYSA-N 368.361 2.875 0 1 FFAF CCN(CC)[C@H](C)CCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27561958 LBOJQBIKUHKFSE-QVKFZJNVSA-N 358.482 2.846 0 1 FFAF Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(C)c1 116823862 IXXZMCAXYXKFIZ-QZTJIDSGSA-N 350.466 2.919 0 1 FFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1 68204700 DFOVHOILEQUUQL-JTQLQIEISA-N 365.376 2.604 0 1 FFAF COc1ncccc1CNC[C@@H]1Cn2cc(-c3ccccc3)nc2CO1 2356302240 PMPANJYISIVFOI-QGZVFWFLSA-N 350.422 2.642 0 1 FFAF CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 2356572916 SLWSWKGGZQCLDU-BPQIPLTHSA-N 373.449 2.846 0 1 FFAF COCC=Cc1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356629202 VHVQTNBRDOVOOA-BEFAXECRSA-N 358.390 2.976 0 1 FFAF CC[C@@]12CCCN(C1)C(=O)C(=O)[C@H]1C(=C(C(=O)OC)C2)Nc2ccccc21 2356756586 RPYIECDRRGSQMN-IERDGZPVSA-N 368.433 2.614 0 1 FFAF COc1cc(C[C@H]2COC[C@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 33830785 LDYVVKWGJMWITK-BXTJHSDWSA-N 360.406 2.654 0 1 FFAF CCO[C@@H]1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)[C@@H]1O 13307067 AMERCRIYENEJRO-NVXWUHKLSA-N 354.399 2.525 0 1 FFAF biogenic O=C(c1cccc2ccnn12)N1CCN(CCc2ccc(F)cc2F)CC1 73294410 HGKUJSGVRNNXTO-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF COc1cc2c3c(c1)c(C1=NC(=S)NC1=O)c(O)n3C(C)(C)C=C2C 49697785 RIBKGTLASHKIKA-UHFFFAOYSA-N 355.419 2.711 0 1 FFAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N 95605610 PKQGPMLILUJFKM-IBGZPJMESA-N 370.840 2.945 0 1 FFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519243 WVTQMVZJIYPUCM-CMLHRNETSA-N 369.461 2.925 0 1 FFAF CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 587951882 JJVYHAQTZNRVRX-HIFPTAJRSA-N 359.426 2.972 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O 587420357 KMALCGVUYZQHGS-JVXZTZIISA-N 352.177 2.693 0 1 FFAF O=C(Nc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 587060416 LRTMSSCQJXYBDR-UHFFFAOYSA-N 352.579 2.973 0 1 FFAF COCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582452 LGAQALUJVASFTF-GOSISDBHSA-N 369.417 2.835 0 1 FFAF CN1CCN(c2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)CC1 587251946 RVURPMCLHWYMAI-UHFFFAOYSA-N 363.465 2.712 0 1 FFAF CCOC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1N 958029477 CEYCTPKBPFELDR-UHFFFAOYSA-N 367.477 2.556 0 1 FFAF COc1cccc2cc3c(nc12)[C@H](c1ccccc1OCC(=O)O)NCC3 963046213 IMGXCMQSBHZZCJ-NRFANRHFSA-N 364.401 2.942 0 1 FFAF COc1ccc(Cn2nnc3c2[C@]2(CC[C@H]3OC(=O)NC(C)C)CO2)cc1 222362249 DRCAZLUXFADXPC-BEFAXECRSA-N 372.425 2.530 0 1 FFAF Cc1cc(-c2cnnc(N3CCC[C@@H](C(=O)c4nccn4C)C3)n2)c(C)o1 11933415 XQMOSSPSBVHDSH-CQSZACIVSA-N 366.425 2.581 0 1 FFAF COC(=O)[C@@H](NC(=O)c1cc(COc2ccccc2)on1)c1ccccc1 12464952 YYVALCDXUXZCKJ-SFHVURJKSA-N 366.373 2.898 0 1 FFAF COc1cc2c(c3c1OCO3)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14639604 PYSVDDOJZYIZTD-ZDUSSCGKSA-N 353.374 2.905 0 1 FFAF biogenic Cc1c(C(=O)NCCN2CCCC2)sc2c1[nH]c(=O)c1ccccc12 169352962 MTOBQDMETSTOTD-UHFFFAOYSA-N 355.463 2.877 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1 205635263 XWMGIFBNLMODIN-GOSISDBHSA-N 355.419 2.935 0 1 FFAF C[C@](CO)(Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 2356315368 RGVFPSRGEDEIBA-HRAATJIYSA-N 372.417 2.536 0 1 FFAF CC[C@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NCc1ccccc1 28111641 KDEIKFGXYSUMPJ-KBXCAEBGSA-N 365.437 2.720 0 1 FFAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)[C@@H](O)CC3)c(F)c2)c1 28525763 OEDWTWLCDASQHI-KRWDZBQOSA-N 371.364 2.976 0 1 FFAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)CC[C@@H]3C)c2)nc1 113543316 BKOCCWXGXVWBFA-GJZGRUSLSA-N 367.449 2.683 0 1 FFAF CO[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](Cc1ccc2c(c1)OCO2)OC 2356660163 GZNBWHVYMMHYHA-HDICACEKSA-N 358.390 2.959 0 1 FFAF CN(C)C(=O)CN1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 39226847 HVTNGFIPQKHBLU-UHFFFAOYSA-N 352.434 2.728 0 1 FFAF COc1c(OC[C@@H]2O[C@]2(C)C[C@H]2C[C@@H](C)C(=O)O2)ccc2ccc(=O)oc12 13360875 NMUNRSJTWXAARD-QLCCRKIDSA-N 374.389 2.680 0 1 FFAF biogenic COc1ccc(CC(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1OC 74377014 WCWLOKQZVMRMPD-VQIMIIECSA-N 366.417 2.508 0 3 FFAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC(=O)[C@@H]1[C@@](C)(O)CCC[C@@]12C 15165596 AEAWUZUAVVBDOI-HVTWWXFQSA-N 350.455 2.944 0 1 FFAF biogenic CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](C)CN2 82211559 DMOALRWADAJUGA-CQSZACIVSA-N 356.470 2.893 0 1 FFAF N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]21 25228807 URIBLDHSENNEEW-VSZNYVQBSA-N 356.378 2.521 0 1 FFAF biogenic C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 238753066 YIPMKFWEORGSOZ-LWLOBWLOSA-N 360.406 2.614 0 1 FFAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869250 QAFUJIZSBCRCGH-WOJBJXKFSA-N 354.494 2.628 0 1 FFAF COc1ccc2c(c1O)CO[C@@H]1C(=O)c3ccc(OC)c(OC)c3O[C@@H]21 73139982 NPLRFSWZYOARFO-QFBILLFUSA-N 358.346 2.633 0 1 FFAF biogenic COc1ccc(C[C@H]2COc3cc(O)c(OC)c(OC)c3C2=O)cc1O 473126486 UATSFKYVCJWRLJ-NSHDSACASA-N 360.362 2.558 0 1 FFAF CCCn1cnc2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc(Br)c21 587003310 IJZIFYYJVVGALO-UHFFFAOYSA-N 372.230 2.906 0 1 FFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccnc(O)c2[nH]1 586952288 AJSPVBUBICEVDW-UHFFFAOYSA-N 373.419 2.588 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C 586932398 DUXQBVRMYWPGGO-CQSZACIVSA-N 367.471 2.766 0 1 FFAF CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(C)nc3)on2)c1C 11936991 LXNQXJACOXDBLZ-UHFFFAOYSA-N 369.425 2.720 0 3 FFAF CCCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818326 RLYZANWBRWYOIA-UHFFFAOYSA-N 356.426 2.535 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO 15162568 XLVPVNMSPILFPC-VVUMFWKYSA-N 358.390 2.534 0 1 FFAF COCCn1cc(C(=O)NCCC(C)C)c2c3ccccc3n(C)c2c1=O 3909735 SPAQDGMOTOGRCJ-UHFFFAOYSA-N 369.465 2.916 0 1 FFAF CCCSc1nc(C)ncc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101550193 UKKFANHUOPPJCJ-UZQCFJJYSA-N 361.511 2.957 0 1 FFAF COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3Cc2ccccc2)cc1 28825424 UKLXQJXIZVDGOI-HJNYFJLDSA-N 352.478 2.905 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@H]1Cc1nccc2c1[nH]c1ccccc12 2356467223 HNPBJGUAULGPHG-DAXOMENPSA-N 366.417 2.959 0 1 FFAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccccc3)n2)=CN1 2356875178 GWIWXCZDDFDMIY-QGZVFWFLSA-N 350.446 2.958 0 1 FFAF COc1cc2oc(C)c(C(=O)N3CCCCC3)c2cc1OS(=O)(=O)O 72105080 ZIQAEAJIHXHOFI-UHFFFAOYSA-N 369.395 2.558 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@H]32)cc1 195391160 FDDPSZVKVPUOOD-CBGDNZLLSA-N 359.385 2.868 0 1 FFAF COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)cc1 245230317 PCMIHVHYLHCSMN-YXUGBTPSSA-N 366.417 2.981 0 3 FFAF NC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC1CCOCC1 261184167 WWKHQJLJEIGJSG-UHFFFAOYSA-N 354.385 2.830 0 1 FFAF CC1(C)CC(NC(=O)c2cnn(-c3ccccc3F)c2N)CC(C)(C)N1 299850576 BNEYOMZTRHBUOY-UHFFFAOYSA-N 359.449 2.633 0 1 FFAF COC(=O)C[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521323 CNWQJYJNZIQYLC-FOIQADDNSA-N 360.406 2.642 0 1 FFAF Nc1ccnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 587004603 XTNKTDKYZCAKLJ-QMMMGPOBSA-N 373.210 2.938 0 1 FFAF COc1ccc(C(=O)c2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)cc1F 587145003 UIXSNOTUNDESEP-UHFFFAOYSA-N 363.352 2.763 0 1 FFAF CCOC(=O)[C@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435727 IXSJWZWHSMPBIR-VLIAUNLRSA-N 353.374 2.605 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc4cn[nH]c4cc3[nH]2)s1 587024260 RPWDSWZMWYCYBO-UHFFFAOYSA-N 371.426 2.650 0 1 FFAF C[C@H](Oc1cccc([C@]2(C)c3ccsc3CCN2C(N)=O)c1)C(=O)O 962705472 NSOPVQZCMFECIC-BBATYDOGSA-N 360.435 2.800 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CCCC[C@@H]1S(C)(=O)=O)N(C)[C@H](C)C2 962641574 SUVRJMYCMDGRPH-VMDGZTHMSA-N 367.511 2.763 0 1 FFAF Cc1cc2c(cc1O)[C@@H](c1c(Cl)nc3sccn13)N[C@H](C(=O)O)C2 963474572 WMAGXXOGNCIZFC-JQWIXIFHSA-N 363.826 2.752 0 1 FFAF Cc1nc2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)ccc2s1 12752051 QHJLDKXLACSCSM-CQSZACIVSA-N 353.451 2.794 0 1 FFAF Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 15935827 ITVDLDCWTKXPOR-QWHCGFSZSA-N 352.481 2.601 0 3 FFAF CO[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@]3(C)CNCCS(=O)(=O)O)C2(C)C 2356414072 OMVQPKQKZVZTMM-DEUBSTCCSA-N 373.559 2.967 0 1 FFAF COC[C@@H](O)[C@@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356388489 HIZZPDXONVQBAA-YQDJYLBVSA-N 362.510 2.969 0 1 FFAF CC[C@@H](C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 103262430 XAOXZAQUVZOTHC-GFCCVEGCSA-N 353.426 2.779 0 1 FFAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCCc1ccccc1 104048426 YVFZXLTVZMIESE-UHFFFAOYSA-N 363.446 2.909 0 1 FFAF CCCSc1nc(C)ncc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550190 UKKFANHUOPPJCJ-CMSQDFSHSA-N 361.511 2.957 0 1 FFAF COc1ccc(C(=N)N)cc1-c1cc(-c2cc(C(=N)N)ccc2OC)on1 103235020 YLXSJAOKERNNRF-UHFFFAOYSA-N 365.393 2.594 0 1 FFAF OCCNc1c(Br)cccc1Nc1ncnc2ccncc12 29133505 LOCXCPIOOAEETG-UHFFFAOYSA-N 360.215 2.935 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@]2(C)CO)ccc1O 2356507771 GXYBSMORDFHHIO-SFTDATJTSA-N 372.417 2.799 0 1 FFAF COC(=O)[C@]1(C)CCC[C@]2(CO)[C@@H]3Cc4occc4[C@H](C)[C@@H]3C[C@H](O)[C@H]21 2356693884 QTHYZUFIFBJEJE-BFEPPYJJSA-N 362.466 2.894 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)[C@H](O)N3CCC[C@H]3C[C@@H]12 2356805662 VJFXOWNUUNFJBE-HXVNCBQMSA-N 367.449 2.679 0 1 FFAF CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 36382566 YMSMSNAIHUSOEZ-UHFFFAOYSA-N 373.501 2.999 0 1 FFAF COCc1cc([C@H](O)CN[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 39238205 ITELRECMSVOHPU-FZKQIMNGSA-N 359.422 2.522 0 1 FFAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CC(=O)N(C2CC2)C1 43205883 NIRHZAGRDKJTAO-JTQLQIEISA-N 360.763 2.986 0 1 FFAF CC1=C(/C=C/S(=O)(=O)O)C(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F 195411333 SWVRQLLJDHZQAT-AATRIKPKSA-N 354.187 2.887 0 1 FFAF CC[C@H]1C[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@](C(=O)OC)(C2)[C@@H]13 86002208 BXHQWEMRWSKGAS-IZARDHJUSA-N 354.450 2.717 0 1 FFAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OC)Cc1cc2ccccc2nc1-3 84672069 PVONOHMJERTQPO-RTWAWAEBSA-N 364.401 2.526 0 1 FFAF Cc1cc(C)n2nc(SCn3cnc4c(Cl)cccc4c3=O)nc2n1 96910569 WCTVVKNXRSWYCC-UHFFFAOYSA-N 372.841 2.854 0 1 FFAF Nc1cnccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659857 GNXUFBJEWZXLFH-UHFFFAOYSA-N 360.348 2.868 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C)N1 587767796 JRJPQLLAWBTXCM-SGPKTVCVSA-N 369.278 2.811 0 1 FFAF C[C@@]1(n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCS(=O)(=O)C1 587660860 HVNXYCWVIZUMER-LJQANCHMSA-N 372.421 2.736 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587124204 MFOKSGCJVZNJPR-UHFFFAOYSA-N 351.350 2.630 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587773470 IZPNZPRNXTUNHF-IYQDAUBNSA-N 368.206 2.721 0 1 FFAF Fc1cc(Br)cnc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587156943 DCXSVTSFSOGWLG-UHFFFAOYSA-N 360.150 2.502 0 1 FFAF O=C1COc2cc3[nH]c(C4(c5ccc(O)cc5)CCOCC4)nc3cc2N1 586913589 NLKJZDFCYWFFIT-UHFFFAOYSA-N 365.389 2.696 0 1 FFAF CN1CCN(c2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)CC1 587969389 OMOCKIVMQWXRLE-VMKGNVPRSA-N 364.493 2.962 0 1 FFAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(N)cc1)[C@@H](C2)C3=O 587431457 GGUZUNRJHUMWQE-MGPUTAFESA-N 353.374 2.785 0 1 FFAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1N(C)C 963222259 GHSRNWDPOGYZQB-OALUTQOASA-N 362.433 2.693 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCc3ccc(C(=O)O)cc31)NCC2 962928910 UISHQVRDGQCCGF-JOCHJYFZSA-N 364.445 2.812 0 1 FFAF CC1(C)OC[C@H](Cn2cc([C@H](O)c3ccc(C(F)(F)F)cc3)nn2)O1 1772592364 CQDIITHCXYUYOT-GXTWGEPZSA-N 357.332 2.530 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 1772630024 YRUFZYHDBCTTDO-HNNXBMFYSA-N 373.388 2.739 0 1 FFAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCn1cnnn1 12429605 SSPVYJWOBDEZND-QGZVFWFLSA-N 352.442 2.717 0 1 FFAF O=C(O)c1ccccc1-c1nn(CCn2ccnc2)c(=O)c2ccccc12 13600503 RZRBBANBYKKDLP-UHFFFAOYSA-N 360.373 2.658 0 1 FFAF CCCN(CCCCN1CCOCC1)[C@@H]1COc2cccc(OC)c2C1 13737120 LUDDDWQEQCANFX-SFHVURJKSA-N 362.514 2.823 0 1 FFAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccncc4)n3n2)cc1 169306642 GBFJBWPADONJJX-UHFFFAOYSA-N 350.403 2.862 0 1 FFAF COCCn1c(=O)n(CCc2ccccc2F)c(=O)c2c(C)csc21 1857591450 NFUOQNBBRRZTBV-UHFFFAOYSA-N 362.426 2.561 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)C[C@@]4(C[C@H]21)c1ccccc1N(C)[C@@H]34 2356333348 PRBYEVQYZLEFMG-JDIKAJTASA-N 350.462 2.729 0 1 FFAF CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@]1(C)O3 6921210 XUFADPDSIPSIQE-UBBRYJJRSA-N 368.477 2.521 0 1 FFAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)=C(O)O 100388553 JFDHYIOPTBSRBC-INIZCTEOSA-N 351.406 2.682 0 1 FFAF endogenous,in-vitro COc1ccc(-c2cn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)CC3)cc1 112974000 BKRNZNIZTXRBAP-UHFFFAOYSA-N 370.453 2.586 0 1 FFAF COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1OC 103538719 OHDKZYVSKGUXKR-KRWDZBQOSA-N 356.382 2.975 0 1 FFAF CN1CCN(C(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 20237851 YYYDQZABVWFFQP-UHFFFAOYSA-N 358.442 2.829 0 1 FFAF Cc1ccc(NCc2c(C)n(COCc3ccccc3)c(=O)[nH]c2=O)cc1 28866846 NTMBKKVNIZSRNV-UHFFFAOYSA-N 365.433 2.940 0 1 FFAF C[C@H]1C[C@@H](O)C=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356432691 JCDDKPVUVBDMHS-QWRGUYRKSA-N 368.813 2.899 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@H](OC(C)=O)C(C)=CCC1 2356600407 KUOMJFRFJMUJKK-BTPDRXCOSA-N 350.411 2.716 0 1 FFAF Oc1cc(O)c(Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1 15218833 RPEHHWGLNFEDRD-UHFFFAOYSA-N 374.301 2.791 0 1 FFAF biogenic O=C(O)[C@H]1Cc2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N1 14514699 IBHBIKWTFZCSOF-OAHLLOKOSA-N 361.357 2.907 0 1 FFAF biogenic COc1cc(COCc2ccc(-n3cc(C(=O)O)cn3)nc2)cc(OC)c1 40753286 IMNOAFRPQMXXMZ-UHFFFAOYSA-N 369.377 2.700 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@H](O)[C@H]23)ccc1O 238747529 REZVXIYYURPOSL-SBNAJNSHSA-N 374.389 2.509 0 1 FFAF CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@H]21 95893905 VIQJOZPEKPFISR-KURKYZTESA-N 359.376 2.775 0 1 FFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)Nc1ccccc1 43527269 LWWGVRLFLZSZRQ-ZIFCJYIRSA-N 374.554 2.567 0 1 FFAF biogenic Cc1nc(CN2CCO[C@H]3CN(Cc4ccccn4)CC[C@@H]3C2)cs1 299842767 XRQRINKBODZQBA-APWZRJJASA-N 358.511 2.569 0 1 FFAF COC(=O)Cc1cc(OC)n(-c2cccc(Br)c2N)c1OC 587937720 WZTADEJWQGCDRI-UHFFFAOYSA-N 369.215 2.555 0 1 FFAF C=C(C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O 587940347 JZTFDLVSQVTORJ-UHFFFAOYSA-N 353.172 2.503 0 1 FFAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(O)c1 587239900 AYSIFPVKLIIGJD-UHFFFAOYSA-N 374.404 2.579 0 1 FFAF COc1c[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1=O 587772944 PSWGYZGJPFZRDY-ZKANADHPSA-N 367.218 2.909 0 1 FFAF CCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC 5412947 DFVLTSKUBDWYEV-HOTGVXAUSA-N 352.500 2.640 0 1 FFAF biogenic N=C(N)c1cccc([C@@H]2Oc3ccccc3N(CCCCCN)C2=O)c1 12354896 WPKJUNDVBQJBLS-SFHVURJKSA-N 352.438 2.566 0 1 FFAF COC(C)(C)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167205258 LHYFDYYDNSXJGT-UHFFFAOYSA-N 368.437 2.784 0 1 FFAF COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 205509714 ROKNCKQMECSPFV-NRFANRHFSA-N 368.477 2.838 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1C[N@]1Cc1ccnc2ccccc12 1857742833 GVKFUXHFCRZTDK-YTEVENLXSA-N 361.232 2.983 0 1 FFAF CN(C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccco1)c1ccccc1 2356298072 RGVUUWCVYSRCCX-SCTDSRPQSA-N 353.466 2.856 0 1 FFAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 2467464 DDCRJDFEKDNMLM-VQIMIIECSA-N 350.418 2.679 0 1 FFAF CC(=O)O[C@@H]1c2c(ccc3c(C)cc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O 6521502 OKUQKTRNAMTAIG-QZTJIDSGSA-N 360.362 2.808 0 1 FFAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CC[C@@H]3O)c(F)c2)c1 28526315 BZUKHWIVKMDFFY-KRWDZBQOSA-N 371.364 2.976 0 1 FFAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccccc1 20574830 PJEJNWXHEMCOEA-UHFFFAOYSA-N 350.440 2.629 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356505016 NVCAZSJTTWNUBW-SIYNTANJSA-N 362.466 2.893 0 1 FFAF Cc1csc(NC(=O)CN2C(=O)CCc3ccccc32)c1-c1ncn[nH]1 64750476 HJUDFJRTVGXBRF-UHFFFAOYSA-N 367.434 2.760 0 1 FFAF in-vitro COc1ccc2c(c1)C[C@H]1c3c(OC)cc(OC)c(CO)c3CCN1C2 84689822 ULRCYORTHLVLDJ-SFHVURJKSA-N 355.434 2.860 0 1 FFAF CCCNC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 147316898 FWEIBKWGJGKXHE-UHFFFAOYSA-N 358.417 2.910 0 1 FFAF COc1ccc(C[C@]2(OC)Oc3c(ccc(OC)c3OC)C2=O)cc1OC 238758100 PVSRXCBRJDSHCL-FQEVSTJZSA-N 374.389 2.882 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@]34CCOc3ccc(OC)cc34)nc12 586917703 UQNSRTJDMWCOPQ-XOBRGWDASA-N 365.389 2.961 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCC(=O)O)[C@@H](C2)C3=O 587444137 YKCPLZINVGFCFF-VBKZILBWSA-N 354.358 2.821 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1c(C)cc(C)cc1C)(C(O)O)[C@@H](C2)C3=O 587450478 MDBVYOWVACCNNQ-BTYIYWSLSA-N 354.402 2.574 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNc3[nH]cnc32)N1 587804001 QLOKUNGBINARIH-ANRSDYALSA-N 364.222 2.543 0 1 FFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587233761 AGTXOYPAKANXQJ-DTWKUNHWSA-N 352.232 2.962 0 1 FFAF CCOC(=O)C[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789012 BDSHEBXRRXBWHY-QFYYESIMSA-N 374.250 2.917 0 1 FFAF COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1OC 587927024 NBLYYCKAUMZBNX-UHFFFAOYSA-N 355.350 2.587 0 1 FFAF COc1ccc2c([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(O)[nH]c2c1 962930090 KEVZEURPQPJRDS-IBGZPJMESA-N 365.433 2.819 0 1 FFAF Cc1cn(C)nc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691295 CCGWBPGUBJLMBA-GXTWGEPZSA-N 357.307 2.575 0 1 FFAF O=C(Oc1ccc2c(=O)cc(N3CCOCC3)oc2c1)c1ccccc1 13676998 GIEJDWWZPMOULL-UHFFFAOYSA-N 351.358 2.849 0 1 FFAF in-vivo COc1cccc2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2 169704385 JIFAIMKYPHBYDH-UHFFFAOYSA-N 360.421 2.760 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N[C@@H]3CCCc4ccccc43)c2C)n1 1857600838 BQXUPAUXQMSWQC-QGZVFWFLSA-N 363.421 2.792 0 1 FFAF CCCn1c(=O)c2nc([C@H]3CCc4ccccc4C3)[nH]c2n(CCC)c1=O 600295 BTEWZIBVDSSLRZ-INIZCTEOSA-N 366.465 2.979 0 1 FFAF C[C@]1(C(=O)NC[C@H](O)c2ccccc2)CON=C1c1ccc(Cl)cc1 769246 VXQWCORDABPOGV-LPHOPBHVSA-N 358.825 2.930 0 1 FFAF Cc1cc2ccccc2c(=O)n1CC(=O)NCCCN1CCC(C)CC1 3654784 FDJNTVOBALQGJR-UHFFFAOYSA-N 355.482 2.548 0 1 FFAF Cc1cccnc1-n1c([S@](=O)Cc2ccccc2N)nc2c1CCC2 3824082 TUSMGQTVVLECGY-VWLOTQADSA-N 352.463 2.954 0 1 FFAF Cn1ccnc1CN1CCCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 6622411 XKDRUVRQEQZLRY-UHFFFAOYSA-N 367.375 2.577 0 1 FFAF O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCOCC1 6772115 CKZJPBDKHYGJFY-HSZRJFAPSA-N 353.827 2.713 0 1 FFAF CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1 105504115 NMWUPSRKKGTYBN-UHFFFAOYSA-N 351.314 2.523 0 1 FFAF COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)O[C@H](C)C2)c1 102874233 CHYVAKAFGGCNES-LALPHHSUSA-N 374.466 2.704 0 3 FFAF Cc1cc(C)c2c3n(nc2n1)C(=O)NC(C(F)(F)F)(C(F)(F)F)N3 103946813 DDLSHACWCDVHJG-UHFFFAOYSA-N 353.226 2.852 0 1 FFAF CCOC(=O)/C(=C\NC[C@@H](O)c1ccccc1)c1nc2ccccc2[nH]1 31905321 IQZMGWBRLZOIPT-WTQUMQLASA-N 351.406 2.790 0 1 FFAF CC1(C)Oc2ccccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 72107918 MGZBWEORPRHZEM-SFHVURJKSA-N 361.401 2.501 0 1 FFAF CCOc1ccc2cc(-c3nn(CC(C)C)c(N)c3C(N)=O)cnc2c1 221719444 FDHLEBRUJJZXMR-UHFFFAOYSA-N 353.426 2.834 0 1 FFAF COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195381769 LROJDEYJWCCVCX-JYJNAYRXSA-N 372.471 2.673 0 1 FFAF COc1cc2c(cc1O)C[C@@H]1NCCc3c(OC)c(OC)c(OC)c-2c31 238737688 HWDDNUKDQLZPKF-ZDUSSCGKSA-N 357.406 2.837 0 1 FFAF Cc1noc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)c1Cl 147710631 FGQODAJEOHJCRV-UHFFFAOYSA-N 358.785 2.977 0 1 FFAF CCNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261174393 UNBBWUUPJHGXAL-LLVKDONJSA-N 352.398 2.590 0 1 FFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517900 WWTFQAMHJCVNHM-LAUBAEHRSA-N 357.450 2.784 0 1 FFAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C 587761945 RLKMKNRRCWKVCA-FVMDXXJSSA-N 353.235 2.736 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@H](O)c1ccccn1)O2 587393980 OVBQBWCQURVCQP-NHCUHLMSSA-N 361.401 2.962 0 1 FFAF COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581226 LAPAPRVFBUFMTP-FXAWDEMLSA-N 366.373 2.938 0 1 FFAF COC(=O)CC[C@@H](C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 12090463 SVSNLJMVXHJAAD-CQSZACIVSA-N 364.490 2.846 0 1 FFAF CC(=O)c1ccc(-c2nnc(CCC(=O)NCCc3ccco3)o2)s1 12198453 HDLDHQSGUGSDRQ-UHFFFAOYSA-N 359.407 2.885 0 1 FFAF CCCNC(=O)N(CCOC)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12315887 LYYFBDQSTYLFSU-GOSISDBHSA-N 373.541 2.934 0 3 FFAF Cc1cc(C)c(-n2nnnc2SCC(=O)N2CCC[C@@H](C)C2)c(C)c1 2501464 LOZSJOVTJSWMRT-GFCCVEGCSA-N 359.499 2.938 0 1 FFAF O=C(N[C@@]1(Cc2ccccc2F)N=C2C=CC=CN2C1=O)c1ccccc1 6806639 JNTDJUOKQDGLFR-OAQYLSRUSA-N 361.376 2.819 0 1 FFAF O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F 28524745 YBPFTOWPXQAXLI-UHFFFAOYSA-N 365.364 2.697 0 1 FFAF COc1ccc(-c2noc(CC(=O)NCCN(C)C3CCCCC3)n2)cc1 71928003 AUYOWJDYJWAZAA-UHFFFAOYSA-N 372.469 2.668 0 1 FFAF COc1ccc2c(c1OC)-c1cc3c(cc1C[C@@H]1COC(=O)[C@H]1C2)OCO3 14715060 NFJJJWVGDBCSKG-HIFRSBDPSA-N 368.385 2.987 0 1 FFAF biogenic CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(N)=O)co2)cc1 82070608 KSZQMASBTBEPDX-ZDUSSCGKSA-N 359.426 2.904 0 1 FFAF Cn1cc(Nc2ncc3cnn([C@H]4CCC5(CC5)C4)c3n2)cc1C(N)=O 84614494 IOUPQNBCPLQNGI-ZDUSSCGKSA-N 351.414 2.513 0 1 FFAF COC(=O)c1ccc(/C(=C\c2ccc(OC)c(OC)c2)C(=O)O)cc1O 231491372 FIZFMQMREPLBIE-RIYZIHGNSA-N 358.346 2.821 0 1 FFAF biogenic,in-vitro C[C@]1(c2cc(NC(=O)c3ccccn3)ccc2F)N=C(N)OCC1(F)F 95601764 SYEULBIUWRUKDF-MRXNPFEDSA-N 364.327 2.668 0 1 FFAF Cc1nn(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1Br 586979076 PYOXFDWLWGQBDF-AWEZNQCLSA-N 363.219 2.911 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cnc3ccccc3c2[nH]1 586929451 DAYMPVIBAOLGDD-UHFFFAOYSA-N 368.418 2.646 0 1 FFAF COc1cc2c3c(c1)O[C@](C(=O)OC(C)(C)C)(C1=COCC1)[C@@H](C2)C3=O 587454883 ZFRDGQNLBVHNMG-VBKZILBWSA-N 358.390 2.827 0 1 FFAF Cc1c(C(=O)N[C@@H](CO)Cc2ccccc2)[nH]c2ccc(Cl)cc2c1=O 1772592789 SMKYYKKGDKGDEM-OAHLLOKOSA-N 370.836 2.823 0 1 FFAF CC(C)(O)CCc1c(O)ccc2c1OC[C@@H](c1ccc(O)cc1O)C2=O 14762895 BYQKGWSQMLLYGJ-HNNXBMFYSA-N 358.390 2.866 0 1 FFAF endogenous,in-man C[C@H](C[P@](=O)(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 14976078 WUBYQBSYTLBAMD-TZMCWYRMSA-N 355.327 2.736 0 1 FFAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1 169347644 NNDZJAWHPYYYBK-UHFFFAOYSA-N 350.213 2.527 0 1 FFAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2c1NON2 169729109 SUTDNAJEGAQKHN-GOEBONIOSA-N 373.409 2.944 0 1 FFAF CN1C(=O)[C@@](c2ccccc2)(c2cccc(NC(=O)c3ccco3)c2)N=C1N 200282302 SOHROZVXKZYZIE-OAQYLSRUSA-N 374.400 2.562 0 1 FFAF in-vitro C[C@@]12CC3CC(NCCCCNCCCCNC(=N)N)(C1)C[C@](C)(C3)C2 1857536272 KRXTVAUYGDDUEQ-DLIHROTGSA-N 363.594 2.958 0 1 FFAF CC(C)c1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1ccc(Cl)c(Cl)c1 1857598327 FVNQVTADUDKSGZ-UHFFFAOYSA-N 352.225 2.851 0 1 FFAF O=C(O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 1857608999 SOSFKWMTWFQUHO-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF O=C1O[C@H](CCc2ccccc2)C[C@H](O)[C@@H]1[C@H](O)C=Cc1ccccc1 2356379206 LOSIRASUEKGOFD-CGXNFDGLSA-N 352.430 2.986 0 1 FFAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703238 JYLWNPGIKZBBQI-HNNXBMFYSA-N 351.406 2.606 0 1 FFAF NC(=O)c1cc(-c2ccsc2)cc2c(N[C@H]3CCCNC3)ncnc12 114345537 SDWFSRDARUDGGP-ZDUSSCGKSA-N 353.451 2.621 0 1 FFAF CC[C@@H](C)C(=O)NC(=O)c1coc([C@H](OC(C)=O)c2ccccc2)cc1=O 2356787071 TYALAHHUSALVLR-KZULUSFZSA-N 371.389 2.595 0 1 FFAF COc1cccc2c(O)c3c(c(O)c12)C(=O)C[C@](C)(O)[C@H]3[C@@H](C)OC(C)=O 2356799797 UWKGMILNJMBASL-NZEQZMOCSA-N 374.389 2.632 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC 33953379 TYPMTMPLTVSOBU-MQNPCLEJSA-N 352.434 2.963 0 1 FFAF Cc1csc2ncnc(N3CCC(Cn4cc(C(C)(C)N)nn4)CC3)c12 48501651 HREJRIXIVPZNFL-UHFFFAOYSA-N 371.514 2.702 0 1 FFAF CCOP(=O)(OCC)[C@H](O)c1cc2ccc(OC)cc2n2nnnc12 49125554 QJCKRDJQKCURGZ-HNNXBMFYSA-N 366.314 2.543 0 1 FFAF CNC(=O)c1cc(C(=O)NC2CC2)cc2c1O[C@H](C)[C@H]2c1ccccc1 1911582524 OZYUZRYSLNMCRL-XIKOKIGWSA-N 350.418 2.851 0 1 FFAF NC[C@H]1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 80823325 MXGBOQFBQSHJCL-CQSZACIVSA-N 363.421 2.757 0 1 FFAF COc1ccc(CCn2ncc(C(=O)c3ccc(N(C)C)cc3)n2)cc1 40568604 VHRQOMLQLRYINY-UHFFFAOYSA-N 350.422 2.826 0 1 FFAF C[C@H](O)Cc1nsc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 82052362 LXFUJGPZKCNMCO-NSHDSACASA-N 372.416 2.807 0 1 FFAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3)ccc1OC1(CCC1)C21COC1 149269950 MJGALTWQDCBMQD-NRFANRHFSA-N 363.417 2.621 0 1 FFAF Cc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1 147141370 XXYXJTKPTFBPLV-UHFFFAOYSA-N 357.421 2.909 0 1 FFAF CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 225960295 XBGIGBHCVFRAGP-UHFFFAOYSA-N 354.385 2.914 0 1 FFAF COc1ccc(/C=C/Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c1 587929719 OXZPMTSSUGZMFB-ONEGZZNKSA-N 362.393 2.812 0 1 FFAF CN(c1ccc(-c2csc(-c3ccc(=N)[nH]c3)n2)cc1)S(C)(=O)=O 587923705 GNPKTXHNEJMFQG-UHFFFAOYSA-N 360.464 2.680 0 1 FFAF N[C@H](Cc1ccc(I)cc1)c1nc2cccnc2[nH]1 587186514 WAVMBVQPWPSEOR-LLVKDONJSA-N 364.190 2.805 0 1 FFAF CN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347964 VWURQEXTYVSVPD-ICSRJNTNSA-N 355.365 2.881 0 1 FFAF O=C1C[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 587522024 DLUCAEXWLQLAPJ-LZBIWBOVSA-N 355.434 2.742 0 1 FFAF O=C(O)[C@@H]1C[C@H]2C=C[C@H]1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612781 WHNWVYVHNLNEMC-BBPZDXPYSA-N 364.353 2.999 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032138 PPZBUODTNFVBHX-UHFFFAOYSA-N 363.464 2.614 0 1 FFAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587116923 MJEAOSYVEMSRJM-UHFFFAOYSA-N 371.706 2.967 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587202047 BCICOYDKHZWHCU-SECBINFHSA-N 358.776 2.573 0 1 FFAF C=CN1CC[C@@H]([C@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393427 IHHYSFGLHZQNCR-IIBYNOLFSA-N 363.417 2.825 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(Cc1ccccc1F)C(=O)O 963605729 HEVLDXDEAROVFF-ODXCJYRJSA-N 359.397 2.900 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@]2(Cn1cncn1)C1(Cl)CC1 963256493 CQEAFGOWRABONP-INIZCTEOSA-N 353.253 2.753 0 1 FFAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@@]21NCCc2nc3ccccn3c21 962988784 YSQDQAHXNRJELH-YEJXKQKISA-N 363.417 2.694 0 1 FFAF CCCCN=c1[nH]c(=N)[nH]c(-c2ccccc2)c1I 1857568103 RYCPAMGBJOVKCX-UHFFFAOYSA-N 368.222 2.795 0 1 FFAF COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)CC(C)C)C3)nn1 12099155 BWDVWTQMTNVUEK-HNNXBMFYSA-N 355.438 2.926 0 1 FFAF Cc1cccc2c(CC(=O)O)nn(Cc3nc4ccccc4s3)c(=O)c12 13860795 WOXIJHKGPIBWIU-UHFFFAOYSA-N 365.414 2.990 0 1 FFAF CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1 169329931 PHIQTSQTVGCYPF-UHFFFAOYSA-N 356.397 2.835 0 1 FFAF CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br 4652681 CPHQRQKCXRTTHQ-RVDMUPIBSA-N 359.223 2.966 0 1 FFAF COc1ccc(CN2CCN(c3ncc(C(=O)NC(C)C)s3)C2=O)cc1 205215836 OKGIOIACIVWEOZ-UHFFFAOYSA-N 374.466 2.732 0 3 FFAF C[C@H]1CN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857646653 LWBGFYMVAIWBQD-FZMZJTMJSA-N 359.376 2.847 0 1 FFAF O=c1[nH]c2ccc(C3=NN=C(NCc4ccc(F)cc4)SC3)cc2[nH]1 11125876 QVWSRWOJOXMAJQ-UHFFFAOYSA-N 355.398 2.592 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356343445 OYPPJMLKAYYWHH-STEXWYFWSA-N 368.470 2.545 0 1 FFAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 2487221 JWTUUROJHZVMOV-KRWDZBQOSA-N 364.486 2.681 0 1 FFAF O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(c2ccccc2)CC1 58582910 UUDJBVPUSNMBIW-UHFFFAOYSA-N 364.493 2.642 0 1 FFAF O=C1CC(=O)N(CCc2ccc(F)cc2)C(=O)N1CCOc1ccccc1 102826999 MFAAFXDHHJLQNV-UHFFFAOYSA-N 370.380 2.628 0 1 FFAF NC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1S(=O)(=O)N1CCCC1 29038969 RJUXUKXHUHTGFU-UHFFFAOYSA-N 369.446 2.718 0 1 FFAF Nc1nc(N)c(-c2ccc(Br)cc2)c(CCCCCO)n1 28648528 LVEJARFBEJFXNH-UHFFFAOYSA-N 351.248 2.776 0 1 FFAF Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)NC3CCCC3)c2)cc1 20532767 HDIMQOGJUZTVTL-UHFFFAOYSA-N 359.451 2.863 0 1 FFAF COc1ccc(O)cc1C1=C(O)[C@@H](OC)c2c(cc(O)c(OC)c2O)O1 2356467196 GVAHKRXMPNYZPJ-SFHVURJKSA-N 362.334 2.827 0 1 FFAF Cn1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(NC3CC3)c2c1=O 115625303 XTDBTHYLPPTYOE-UHFFFAOYSA-N 362.437 2.565 0 1 FFAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2C[C@H]3[C@H]1[C@H]([C@@H](C)O)C2 2356733661 MPZAXUXGFQVJBO-UGOOGPJTSA-N 356.466 2.916 0 1 FFAF O=C(c1cc(CC2(NCC3CCCCC3)COC2)no1)N1CCCCC1 67898489 DREQPSCFTDVVDB-UHFFFAOYSA-N 361.486 2.782 0 1 FFAF COc1cc2nnc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1OC 66074131 UUMIJMLIBZVHGO-UHFFFAOYSA-N 360.320 2.768 0 1 FFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@@H](O)C1 144752864 WSMVTDZAYFZQIP-KZULUSFZSA-N 363.335 2.672 0 1 FFAF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2 95575553 YNUZRVCWZGUBPS-UHFFFAOYSA-N 374.400 2.952 0 1 FFAF O=C(CCN1CCN(C(=S)NCc2ccccc2)CC1)c1ccccc1 473135054 FENHQPASIREJPZ-UHFFFAOYSA-N 367.518 2.952 0 1 FFAF Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccccc3S(C)(=O)=O)nc21 653784819 BWCMNAKNXPLVSN-UHFFFAOYSA-N 373.478 2.852 0 1 FFAF COc1cc(OCC(=O)O)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398877 GAURLYQVGLBFGX-KRWDZBQOSA-N 357.362 2.756 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 586951122 UOAOEDLRDYLSCD-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF Cc1cncc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587111159 BCUKKEMXZJTIPU-UHFFFAOYSA-N 359.315 2.987 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C 587239668 MYRYRQHWJMSKKP-CLUVUEOHSA-N 373.457 2.860 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)nc1)O2 587402081 XESORTWRYSZXDE-FQEVSTJZSA-N 353.422 2.689 0 1 FFAF CC1(C)O[C@H]2O[C@@H]3CN(C(=O)/C=C/c4ccccc4)C(C)(C)O[C@@H]3[C@H]2O1 2178317134 GHDGFLXQUKJLOP-BKXKVBGLSA-N 359.422 2.540 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@H]3C[C@](C)(O)C1CCOCC1 963069556 SJCMLSBVKCZHCE-UTKZUKDTSA-N 356.466 2.998 0 1 FFAF CN(Cc1ccccc1)C(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894170 IBMOTDIZEUGBOG-RXVVDRJESA-N 370.424 2.689 0 1 FFAF COc1ccc2c(c1OC)[C@@](C)(C1=C(C)N=C3N=NNN3C1)N(C)[C@@H](C)C2 962616567 AGSGXQLRUKDURV-JEOXALJRSA-N 370.457 2.626 0 1 FFAF CCCCCCNC(=O)Sc1ccccc1C(=O)NCCC(N)=O 5973035 UMZAJMUDPPUTBD-UHFFFAOYSA-N 351.472 2.674 0 1 FFAF O=C(CCc1cccnc1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 11970790 KSFCPAATOCWZRO-QGZVFWFLSA-N 360.417 2.591 0 1 FFAF O=C(O)Cc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c2ccccc12 13449064 KPUWBWBNAUTTPX-UHFFFAOYSA-N 361.357 2.727 0 1 FFAF Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 13672043 KWNNEOHJLFPMKY-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1 168077069 RGWULFRIBNLBMG-UHFFFAOYSA-N 366.396 2.961 0 1 FFAF COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13 1545341 DTJQBBHYRQYDEG-CTPFPFKQSA-N 368.477 2.882 0 1 FFAF Cc1ccc(C(=O)O)cc1N1CC(Br)(Br)C1=O 27204794 YMQXBQIBJGRFFO-UHFFFAOYSA-N 363.005 2.526 0 1 FFAF CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 36126896 GDCOKFHRGLVSMN-UHFFFAOYSA-N 357.431 2.938 0 1 FFAF Cc1cc(C(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)nn1C(C)(C)C 74379348 ZYSXSFWQXBRYFZ-WBVHZDCISA-N 352.438 2.822 0 3 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CCNCC2)cc1 40421640 VGUVLZRMZIOJFF-UHFFFAOYSA-N 371.384 2.671 0 1 FFAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1COc2ncsc21 220866262 QNWQHNGAPGJLTL-MWLCHTKSSA-N 359.234 2.776 0 1 FFAF Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)n(C)n3)nc12 142850051 BNSNZVFQHFCSNZ-UHFFFAOYSA-N 359.865 2.513 0 1 FFAF CC[C@@]12CC(OC(C)=O)=C3Nc4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 238745790 YBDIDQHYUBEDQR-BWUHRYBWSA-N 352.434 2.780 0 1 FFAF C/C=C1/CNCC[C@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@@H]3C(=O)OC 238761863 IWHCGBPCBYWRBB-ZUFMXVCCSA-N 368.477 2.666 0 1 FFAF CCS(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 587566494 PFBKPBTWLPZDLS-UHFFFAOYSA-N 358.419 2.791 0 1 FFAF N[C@H](Cc1cccc(Br)c1)c1nc2cnc(Cl)[nH]c-2n1 586984829 VCTSDYGQVZQSPV-SECBINFHSA-N 352.623 2.963 0 1 FFAF Oc1nncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587017512 LVSQXTIJRCTJNS-UHFFFAOYSA-N 361.390 2.896 0 1 FFAF NC(=O)c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003952 PQDSLARJNXRTDH-UHFFFAOYSA-N 356.183 2.968 0 1 FFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(F)c3[nH]2)cc1 586932010 SFUGPHHPRYZMGU-UHFFFAOYSA-N 367.377 2.670 0 1 FFAF CC[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586901756 ZPPVKNPJVZYXGD-INIZCTEOSA-N 361.423 2.816 0 1 FFAF COc1cccc2cc3c(nc12)[C@H](c1cnc(Br)n1C)NCC3 963062974 YRMIZCBUGIQTQS-INIZCTEOSA-N 373.254 2.975 0 1 FFAF COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)CC2 839838 QSNZESAOEGCWHL-MRXNPFEDSA-N 363.435 2.678 0 1 FFAF CC(C)c1cc(C(C)C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 13472166 TVDLCASQGHHNHG-OAHLLOKOSA-N 370.501 2.893 0 1 FFAF C[C@H](CN1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1)c1ccccc1 14992422 JXJZWZRJDNQKPT-QGZVFWFLSA-N 367.497 2.955 0 1 FFAF Cc1cccc2c(-c3ccccc3)cc(=O)n(Cc3nnc(S)n3N)c12 1857613773 UMBJHHZFFHAARX-UHFFFAOYSA-N 363.446 2.619 0 1 FFAF COc1cccc(Cn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)c1F 1857656046 TXLXRFMNSKJPLV-UHFFFAOYSA-N 350.357 2.926 0 1 FFAF CCOC[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 206209833 VCXXAUHBGRFKPD-INIZCTEOSA-N 356.470 2.719 0 1 FFAF O=C(OC1CCN(CCF)CC1)C(O)(c1ccccc1)c1ccccc1 6578893 KWDWGQNIBAXCHO-UHFFFAOYSA-N 357.425 2.900 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccccc2)=N1 101368743 AAUAVNGRJHAKQT-ZBFHGGJFSA-N 360.369 2.643 0 1 FFAF C[C@@]1(c2cc(NC(=O)c3ncc(F)cc3F)ccc2F)CCOC(N)=N1 117682227 IZBCKNKHQQAHJO-KRWDZBQOSA-N 364.327 2.701 0 1 FFAF CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 100251633 XEGGZNIJBOUOJD-HZPDHXFCSA-N 372.425 2.950 0 1 FFAF O=C(NCc1ccccc1)c1cc([C@H]2CCCN(C(=O)C3CC3)C2)on1 61898025 ZZUIWIOJYBSUFQ-INIZCTEOSA-N 353.422 2.721 0 3 FFAF CN(C)CCOc1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc2c1=O 28874425 BXYNAAXOVFJIBW-UHFFFAOYSA-N 372.428 2.914 0 1 FFAF COc1cc2c(cc1O)CCN1[C@@H](O)c3c(ccc(OC)c3OC)C[C@@H]21 2356723984 YNIYQDHOXRDOPB-XOBRGWDASA-N 357.406 2.564 0 1 FFAF CO[C@@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 8297105 KEDKZCBWLLBELR-SJORKVTESA-N 358.344 2.813 0 1 FFAF biogenic COc1cccc2c1N(C=O)[C@@H]1CC[C@]34CCCN5CC[C@@]21[C@@]53OCC4 13373710 UWQRGYQPHUFRMW-GFOJFJKKSA-N 354.450 2.674 0 1 FFAF biogenic c1cncc(-c2nc3c(NCC4CC4)ncnc3n2C[C@H]2CCCO2)c1 82180711 NBPYCTICNDRMHV-OAHLLOKOSA-N 350.426 2.889 0 1 FFAF CC(C)Oc1cc2c(-c3cc(N4C[C@H](N)C[C@@H]4C)ncn3)n[nH]c2cc1F 225551163 VCXWVMQWEMPIEK-NWDGAFQWSA-N 370.432 2.872 0 1 FFAF OC[C@@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84617078 QZLWXAZGLFTHHX-VEQMMRKXSA-N 363.542 2.983 0 1 FFAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)cc1 96917029 FLPZRTQZDDNBOJ-OAHLLOKOSA-N 368.867 2.766 0 1 FFAF O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 238749048 AWLJZFUREZNLGG-LXTFCSRGSA-N 370.357 2.538 0 1 FFAF COc1ccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)cc1 95580169 ABXICRVPXSCTLB-UHFFFAOYSA-N 362.437 2.577 0 1 FFAF CC1(C)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc3c2C[C@H]1O 85601883 GUVOWHHQZUZCIH-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 587790483 CZCUFOGULJJUFI-KWKYVRJSSA-N 368.206 2.807 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cnc2[nH]1 587095151 YMRZYIKYBFMJSL-YFKPBYRVSA-N 351.126 2.850 0 1 FFAF C[C@H]1C(=O)[C@]2(C=CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587760899 MWLQORFPPCXRJZ-KCWFYHRYSA-N 353.235 2.734 0 1 FFAF Cc1onc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1COc1ccccc1Cl 587063723 SWYKSAGLPKKOPM-UHFFFAOYSA-N 372.772 2.667 0 1 FFAF CN(Cc1nc2cccc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 586928506 DJEYIWONJWMBNM-UHFFFAOYSA-N 370.356 2.797 0 1 FFAF CNC(=O)[C@@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431513 GMVXSFBRQFYFJO-CVWILIBFSA-N 367.401 2.697 0 1 FFAF COCCOc1ccccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962926355 NULGJYATTGEKMW-FQEVSTJZSA-N 354.450 2.649 0 1 FFAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(F)cc3)c3c(N)ncnc32)C1 207813425 YAIAASVNLOEORF-CQSZACIVSA-N 366.400 2.564 0 1 FFAF CC(=O)N1CCN(c2ncnc3oc(-c4ccccc4Cl)nc23)CC1 1857632443 NFYHJNBBJFLOQD-UHFFFAOYSA-N 357.801 2.607 0 1 FFAF CC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1 2602313 IUJXMGLNDNPNES-QMMMGPOBSA-N 354.291 2.589 0 3 FFAF Cc1cccc(N2CCN(C(=O)CN3CCOc4ccccc43)C[C@@H]2C)c1 4683202 CZPRGEPAYYCPGJ-SFHVURJKSA-N 365.477 2.931 0 3 FFAF COc1ccc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2CO)cc1OC 2356375674 IATWXYMZKVGQLC-OXQOHEQNSA-N 372.417 2.928 0 1 FFAF Cc1cc(F)ccc1-c1cc(C(=O)N2CCN(c3ccncc3)CC2)[nH]n1 61929151 LZMATVDMFWCZAE-UHFFFAOYSA-N 365.412 2.882 0 3 FFAF O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1 35259150 BGFSOIDVHVYBNO-UHFFFAOYSA-N 352.438 2.905 0 1 FFAF Cc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cc1O 73240604 DGRUURZRKSORIM-UHFFFAOYSA-N 355.423 2.628 0 1 FFAF CN(CC(=O)N1CCCCC1)C(=O)c1csc(Nc2ccccc2)n1 82085764 DGVHPHKVXNWBPK-UHFFFAOYSA-N 358.467 2.971 0 1 FFAF CCOC(=O)C[C@H](O)C[C@H](O)CC[C@@]1(O)[C@@H](C)C=CC2=C[C@H](C)CC[C@@H]21 85545450 VFIPZJOPEDUMRU-DTUNJFAJSA-N 366.498 2.741 0 1 FFAF c1cncc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)c1 225559521 SNTRLORPKJTMGM-UHFFFAOYSA-N 358.405 2.919 0 1 FFAF CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O 95591146 CNJVEOVFYHCDGZ-UHFFFAOYSA-N 372.425 2.977 0 1 FFAF COc1c(O)ccc2c1CC(=O)c1cc3c(cc1CCN(C)C2)OCO3 238769752 CHHDMEBAPJTZDW-UHFFFAOYSA-N 355.390 2.543 0 1 FFAF Cc1ccc2nc(C3CN(c4cc(-n5nc(C)nc5C)nc(C)n4)C3)[nH]c2c1 143128482 YOMMHDSJZADDAJ-UHFFFAOYSA-N 374.452 2.771 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@H]2CCC[C@H](C)[C@@]12C 238733905 IUCVWQKXCCLBGN-HWPRLVPFSA-N 350.411 2.897 0 1 FFAF c1ccc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)cc1 299835527 WYEZMVWJEMLJLM-UHFFFAOYSA-N 363.465 2.984 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(F)c(F)c(F)c2[nH]1 587566424 MDJKCULNBLPASA-UHFFFAOYSA-N 374.359 2.899 0 1 FFAF N=c1[nH]ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258727 RHRUNOZKQDIMNI-HNNXBMFYSA-N 360.421 2.942 0 1 FFAF O=C1CSc2ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2N1 587042885 IEWIWJOZUSCQJB-UHFFFAOYSA-N 361.404 2.521 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 586930352 QSMWRTKGPLMGJT-UHFFFAOYSA-N 355.463 2.874 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(N3CCCC3)ccc21 587396248 QYGHTXKWDDJIAZ-OAQYLSRUSA-N 363.417 2.990 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 587041013 SOOOGQZILAEQOT-JTQLQIEISA-N 364.427 2.727 0 1 FFAF O=C(O)C1=C2CCCN2C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525561 MWXMENXDBOVDPI-OAQYLSRUSA-N 367.401 2.634 0 1 FFAF COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422109 CCQZETHWNHOROG-KZULUSFZSA-N 352.333 2.790 0 1 FFAF O[C@@H](c1nc2ccc(I)cc2[nH]1)C1CCOCC1 586912640 FHFUWNVNCWUAMQ-GFCCVEGCSA-N 358.179 2.628 0 1 FFAF CCNC(=O)c1cc2c(N3CCOC[C@@H]3c3ccccc3)ccnc2[nH]1 1772607548 TXRIWQYJMOSHJN-GOSISDBHSA-N 350.422 2.891 0 1 FFAF COCCN1CCC[C@]2(CCN(Cc3ccc(Cn4cccn4)cc3)C2)C1 12704627 PXXFTQXTESKDJX-QFIPXVFZSA-N 368.525 2.866 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1cccnc1 169351548 XSKMJQHSFXEGQT-HEGBZVHHSA-N 371.433 2.666 0 1 FFAF CCN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 167782038 ZLMFZZNLVHHKFB-INIZCTEOSA-N 371.462 2.881 0 1 FFAF CCOC(=O)CCc1nc2nc(N3CCCC[C@H]3CC)ccc2[nH]c1=O 766778 LFONIJUDAYKOQQ-CYBMUJFWSA-N 358.442 2.583 0 1 FFAF C[C@@H]1C[C@H](O)C=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356432690 JCDDKPVUVBDMHS-GHMZBOCLSA-N 368.813 2.899 0 1 FFAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4050092 HINPPJLMUWIPCL-ICSRJNTNSA-N 368.433 2.940 0 1 FFAF CC(=O)OCc1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1 103224337 FKQIOJOOSXUJCH-RIYZIHGNSA-N 358.444 2.823 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(C[S@](=O)CC2CCCC2)cc1 25969007 NEWTVTARTFDJKI-KOSHJBKYSA-N 353.528 2.863 0 1 FFAF COc1cc(S(=O)(=O)Oc2ccc(N(C)C)cc2)cc(OC)c1OC 27996621 ZDCGNQDWVPPAPQ-UHFFFAOYSA-N 367.423 2.546 0 1 FFAF C[C@]1(O)CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356515011 VZYXNEBEPOYJPB-ONTIZHBOSA-N 365.477 2.674 0 1 FFAF CC(C)[C@]1(O)C=C[C@](C)(O)CC[C@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356600878 CUWYFUIWYABLKL-MTFMMBMASA-N 352.471 2.638 0 1 FFAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)c1 2356607837 TYJYBYSNFUCICQ-HKUYNNGSSA-N 360.406 2.544 0 1 FFAF CC=CC(=C[C@@H](C=C[C@@H](C)O)c1cc(NC(C)=O)c(OC)cc1O)CO 2356831909 JSTRQEVJCFDTEN-CZUORRHYSA-N 361.438 2.875 0 1 FFAF CCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1 72107880 UXTXHFYVRKEMAW-UHFFFAOYSA-N 367.453 2.792 0 1 FFAF N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1)C(=O)O 70718945 XLORGUWSSAQWLO-KRWDZBQOSA-N 371.414 2.562 0 1 FFAF COc1c(C)c2c(c(O)c1C/C=C(C)/C=C/P(=O)(O)O)C(=O)OC2 36338569 GESVWYROBIVULS-PIAAQLDDSA-N 354.295 2.560 0 1 FFAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@@H]4C3)n1)CCC[C@H](c1ccccc1)C2 49088858 VJUGZSKEQACKNI-ABSDTBQOSA-N 363.509 2.910 0 1 FFAF Nc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 95573463 VRJVCLURGZIYEZ-UHFFFAOYSA-N 373.456 2.985 0 1 FFAF COc1ccc(-c2c(C(=O)N3CCC[C@H]3CO)cc3cccnn23)cc1 95556744 DGAOYSRDESZCLV-INIZCTEOSA-N 351.406 2.607 0 1 FFAF O=C(NCc1cnccn1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271694 SWBQUHGBJVCMRV-UHFFFAOYSA-N 368.418 2.631 0 1 FFAF CNc1nc(NCc2ccc(S(C)(=O)=O)cc2)cc(-c2ccccn2)n1 299820187 CGYLEMNSAPBBNF-UHFFFAOYSA-N 369.450 2.596 0 1 FFAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCC(=O)O)c2=O)CC1 299835690 MLNSDEROSCBNFA-UHFFFAOYSA-N 371.437 2.570 0 1 FFAF CCOC(=O)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 653804880 CANXUNBFJIXXMG-WJDWOHSUSA-N 352.346 2.666 0 1 FFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587786951 UAJFAICGZLTSKL-NXEZZACHSA-N 358.448 2.874 0 1 FFAF Cc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c(C)n1 587126398 ACGFPYRTAPKELZ-UHFFFAOYSA-N 356.329 2.930 0 1 FFAF COCCN1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342947 HZGVDFWRDRWUGN-TZIWHRDSSA-N 371.408 2.981 0 1 FFAF COC(=O)Cc1ccccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587783003 CBYNEFVZQLVCPN-UHFFFAOYSA-N 364.449 2.697 0 1 FFAF COC1=COC(CO)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587832289 JHRQRDKINRXGCV-XXFAHNHDSA-N 370.218 2.712 0 1 FFAF CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)c1C 587638969 LNDUFRINLWMXRM-UHFFFAOYSA-N 354.410 2.895 0 1 FFAF Nc1nc(S)ncc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961754073 ZUIDJYXWDPQELL-GFCCVEGCSA-N 363.284 2.878 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccnc1)c1ncc[nH]1 963614173 WQGLRPNOQOFJFR-XCLFUZPHSA-N 350.422 2.648 0 1 FFAF CS(=O)(=O)c1n[nH]c(-c2csc3ccc(Br)cc23)n1 1857752129 APAOMAIHNPREMR-UHFFFAOYSA-N 358.242 2.852 0 1 FFAF Nc1noc2ccc(-c3cnc4ccc(NC[C@H]5CCCO5)nn34)cc12 1772644856 CEPQUAZBARGFRL-GFCCVEGCSA-N 350.382 2.711 0 1 FFAF CC(C)[C@H](CO)NCc1nc(-c2cc(C(F)(F)F)nn2C)ccc1F 204420252 QGNPQDROHHBERT-ZDUSSCGKSA-N 360.355 2.747 0 1 FFAF CC(=O)Oc1ccc(C=C2N=C(c3ccccc3)OC2=O)c(OC(C)=O)c1 1857607884 VLOQRLOVHSUOEX-UHFFFAOYSA-N 365.341 2.882 0 1 FFAF Oc1cccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNC4CCC4)O3)no2)c1 2356354600 NHZYBQCZLBEHSO-BJLQDIEVSA-N 358.438 2.640 0 1 FFAF Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CNCCO)cc1 3832343 WGNQPAWFLWLKBL-UHFFFAOYSA-N 359.433 2.752 0 1 FFAF Cc1cc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)no1 4356626 BKYYBNZKXASDLW-UHFFFAOYSA-N 370.390 2.900 0 3 FFAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(Cl)cc1 7551144 AVCXRRKTQSJLEL-OAHLLOKOSA-N 366.801 2.718 0 3 FFAF Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OC/C=C/CO2 103258335 YTERIDFBKZENLC-PHXNAMCJSA-N 367.401 2.748 0 1 FFAF CC(C)(O)[C@H]1Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3cc2[C@H]1O 2356742608 LKYMSFJODNTXFB-MOPGFXCFSA-N 354.358 2.731 0 1 FFAF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccccc2)cc(OC)c1OC 71340348 HGZMMQSQVNBYKO-UHFFFAOYSA-N 369.377 2.648 0 1 FFAF COc1ccc2cc(C(=O)NC[C@H](F)c3ccccc3)c(=O)[nH]c2c1OC 72182386 RTTGKYVLNXUSQE-HNNXBMFYSA-N 370.380 2.986 0 1 FFAF CCCSc1nc(C)ncc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 43208364 UKKFANHUOPPJCJ-MRLIFXTRSA-N 361.511 2.957 0 1 FFAF CCOC(=O)C1=C(NCc2ccccc2)C(=O)N(Cc2ccccc2)C1 84712745 XHBRMONKMYFYON-UHFFFAOYSA-N 350.418 2.636 0 1 FFAF N=C(N)c1ccc(-c2cccc(-c3cn4c(n3)CC[C@H](C(=N)N)C4)c2)cc1 40487403 IUXFKUNLXPVYIV-KRWDZBQOSA-N 358.449 3.000 0 1 FFAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2[nH]ncc2C1 40893895 LHOJVHKKDRWEEV-OAQYLSRUSA-N 367.541 2.801 0 1 FFAF in-vivo CC(C)=CCC/C(C)=C/CNCC(=O)N[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 254124498 IUZFKESOXYUGNF-MZYTXQQWSA-N 368.521 2.868 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@H]2C[C@H]3CC[C@H]2C3)cc1F 261141656 NEYKVBZVQYCLPF-RVBZMBCESA-N 361.822 2.736 0 1 FFAF COc1nccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587198123 YRAVZOJKGAGGDR-LBPRGKRZSA-N 362.430 2.883 0 1 FFAF N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCOC1 587247345 PUJGWGFYUGXIAT-LLVKDONJSA-N 361.037 2.662 0 1 FFAF CN(C)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657174 XVCPLNABVXWTGL-UHFFFAOYSA-N 357.360 2.934 0 1 FFAF COc1ccccc1CC(=O)c1nc2cc(CN3CCOCC3)ccc2[nH]1 587929768 KRKKXPQDOIDUNX-UHFFFAOYSA-N 365.433 2.829 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(=O)NC3CC3)c1)O2 587390623 OPBWWAVTWADMBB-IBGZPJMESA-N 366.417 2.941 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cncnc3[nH]2)cc1 587041601 ZXHCNDJGHYBVIV-CQSZACIVSA-N 355.423 2.639 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1sc(N4CCOCC4)nc1C)[C@@H](C2)C3=O 587453729 YSYCHMANTAIVCZ-SUMWQHHRSA-N 372.446 2.785 0 1 FFAF Nc1nc(S)ncc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961754078 ZUIDJYXWDPQELL-LBPRGKRZSA-N 363.284 2.878 0 1 FFAF COc1cccc2c(C(=O)NCc3cccc(C(C)C)n3)nc(N)nc12 1772570044 IOEDOSMYTXBJMB-UHFFFAOYSA-N 351.410 2.669 0 1 FFAF COc1ccccc1-c1ccc(C[C@H](NC(=O)N2CCC=N2)C(=O)O)cc1 13442253 NRBKBGAGKDYKFG-KRWDZBQOSA-N 367.405 2.759 0 1 FFAF Cc1cnccc1CNC(=O)c1cc(CN2CCc3ccccc3C2)on1 19794636 OOBXIHRCDFCCTQ-UHFFFAOYSA-N 362.433 2.866 0 1 FFAF CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 205650761 RPNPIKKCPDQYAT-UHFFFAOYSA-N 361.409 2.770 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CN(C)C)c12 209322930 BUSSTVPEPITQDJ-GFCCVEGCSA-N 368.441 2.911 0 1 FFAF O=C(CCc1nc2cccnc2n1-c1ccccc1)NC[C@@H]1CCCO1 6737673 OLOMKVKYFWFEAX-INIZCTEOSA-N 350.422 2.648 0 1 FFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 2356458067 FLIUGFLPGWNTCS-QKNQBKEWSA-N 372.557 2.535 0 1 FFAF CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204812 HYHDIQKLLBSXLB-BXUZGUMPSA-N 354.838 2.947 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@]1(C)O 2356289685 XVHIBAHIVJXLAF-SBHAEUEKSA-N 358.482 2.796 0 1 FFAF COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(Cl)ccc2n1 28817368 PDHCDIHAAMNZSD-CABCVRRESA-N 352.818 2.965 0 1 FFAF Cc1noc(C)c1CN1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O 20865220 PRAPGHZICQRUIM-UXHICEINSA-N 355.482 2.802 0 1 FFAF COC(=O)C=C(C)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@]21C 2356639179 HLWQPWKHHFLJCJ-YBOKKRQYSA-N 368.514 2.821 0 1 FFAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CC(=O)N4CC[C@@]12[C@@H]3CC5 2356716636 SSPSJUOUNMQACS-OTNPHJDUSA-N 366.417 2.613 0 1 FFAF O=c1ccn(CCOc2ccccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1 211016935 ODNRLRMHEZJDLY-UHFFFAOYSA-N 363.373 2.889 0 1 FFAF Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 40893783 YXWUNVKPNNVSOO-UHFFFAOYSA-N 356.403 2.949 0 1 FFAF CC(C)(C)NC[C@@H](O)COc1ccc(/C=C/CO)cc1Br 40465872 QRUKZUGKPVCVEB-MUBLQREKSA-N 358.276 2.582 0 1 FFAF CCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)[nH]n1 96167837 RXRQXPCIGJNXRY-JTQLQIEISA-N 368.376 2.645 0 1 FFAF O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1)c1ccccc1 238736477 QFVFKNNOHLGRBN-VYJAJWGXSA-N 368.477 2.707 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c1 586929399 FQJJGZDNCIBFMU-UHFFFAOYSA-N 368.418 2.784 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Nn3cccc32)N1 587767205 ADGBAAIBSJAMTB-FVMDXXJSSA-N 364.218 2.641 0 1 FFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 587125732 SSTQUUNSFZLRDE-NJGYIYPDSA-N 371.348 2.518 0 1 FFAF O=C1c2ccc(O)cc2O[C@@]2(CCN3CCO[C@H]2C3)[C@@H]1c1ccc(F)cc1 587344551 GZCMRBUUXIWHJZ-QKNQBKEWSA-N 369.392 2.734 0 1 FFAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 587560152 CPXCYICWNYHDOJ-ZWNOBZJWSA-N 365.389 2.897 0 1 FFAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)S(C)(=O)=O 587611010 YWUJRCPIUJFLOS-RHSMWYFYSA-N 362.403 2.546 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncnn2C)(C2CC2)N1 587756024 CMXTVSMHSZDPNG-XXFAHNHDSA-N 365.250 2.905 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(C)nn(C)c1C)CC2=O 587474673 GFKFBEVTJOMKET-LJQANCHMSA-N 358.394 2.640 0 1 FFAF CCN(CC)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587370132 UGNMZPVTRBANEG-UHFFFAOYSA-N 353.382 2.977 0 1 FFAF CC(C)c1nn(C)c2c1[C@@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)NCC2 962924011 UZQYHEZDWUQEOQ-HXUWFJFHSA-N 365.437 2.897 0 1 FFAF CC(C)([C@@H](O)Cn1c2ccccc2c2ccccc21)N1CCCS1(=O)=O 148515638 CYDIKPGNIKDBOC-IBGZPJMESA-N 372.490 2.970 0 1 FFAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCc2ccc(F)cc2)cc1 769525 ABIAHRIPYYUKBW-OAQYLSRUSA-N 369.440 2.991 0 1 FFAF COc1cc(C[C@]2(O)CC[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 2356468415 AIPSXMGLGCDLLD-WHSLLNHNSA-N 374.433 2.575 0 1 FFAF CCN(CC)C(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(=S)[nH]c2c1 103390464 FMOBTOPJBZEVIS-CYBMUJFWSA-N 361.467 2.720 0 1 FFAF COc1ccc(CNC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 101948065 ZFKYZCNRVJGMAE-BMFZPTHFSA-N 361.438 2.690 0 1 FFAF O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 53224601 AWOQAKSRRWIEFN-UHFFFAOYSA-N 361.438 2.947 0 1 FFAF NC(=O)NCc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1 28002017 TWTXVKSWGSHQLY-UHFFFAOYSA-N 366.509 3.000 0 1 FFAF COC(=O)[C@@H]1c2cc(C(=O)O)ccc2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@@H]12 2356643391 RLVRXRFSOZQLOI-QBTDHISASA-N 360.406 2.892 0 1 FFAF Cc1nn(CCN(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49088274 TXAUJGBQNPGTHE-UHFFFAOYSA-N 366.868 2.713 0 1 FFAF CS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)cc(=O)n2O)c1 95921437 MDYXMYBWSBAIMZ-UHFFFAOYSA-N 356.403 2.791 0 1 FFAF in-vitro CNC(=O)c1csc(NC(=O)c2ccc(COc3ccccc3)o2)n1 95755502 WUGYFIPUZJNZMW-UHFFFAOYSA-N 357.391 2.927 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2O)[C@@H](O)C3=O)O1 238789688 BTXPVCGAZAPESU-PKOBYXMFSA-N 372.373 2.584 0 1 FFAF Nc1ncnn2c1c(-c1cc(F)c(CO)c(F)c1)cc2[C@H]1CC[C@H](O)CC1 261096607 FNCYKJHXAILKLO-UMSPYCQHSA-N 374.391 2.768 0 1 FFAF CCCc1c(O)ccc2c1OC1(CCC(O)(CC(=O)OC)CC1)CC2=O 587492811 YUEZQEHCGVRQFS-UHFFFAOYSA-N 362.422 2.917 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(N)ccnc3[nH]2)cc1 587040070 JDLNKXDVZGRSJS-CQSZACIVSA-N 369.450 2.827 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4c(F)cccc41)[C@@H](C2)C3=O 587429365 UODUHZAXTIITAX-DJJJIMSYSA-N 374.389 2.655 0 1 FFAF O=C(N[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202147 GBQHLSTWYZSJKF-HNNXBMFYSA-N 357.341 2.624 0 1 FFAF Cc1ccnc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587201655 APWAVFBJLPACHM-ZDUSSCGKSA-N 354.366 2.709 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ncco2)(c2c(F)cccc2F)N1 962903183 WBSGGFVUQRKBGD-LIRRHRJNSA-N 374.318 2.983 0 1 FFAF CN1CCN(C(=O)c2cc(-c3ccc(O)cc3)n(-c3ccccc3)n2)CC1 1772586489 UQZUGFUSQZNVTN-UHFFFAOYSA-N 362.433 2.633 0 1 FFAF Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cc1 14191960 MHTIXBGOKSILPR-UHFFFAOYSA-N 351.248 2.562 0 1 FFAF Cc1nn(-c2ccccc2)c2nc(C(C)(C)CN3CCN(C)CC3)[nH]c12 19885597 PXOBUPZNARVDPQ-UHFFFAOYSA-N 352.486 2.582 0 1 FFAF Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 169308330 YUBNUBGRKUDBTN-LSDHHAIUSA-N 354.458 2.618 0 1 FFAF COc1cccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c1 1857628593 CICPFCWBWHYTIV-UHFFFAOYSA-N 356.407 2.543 0 1 FFAF CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc(O)c1 1857646033 JWEDUNAHNFGRPE-KRWDZBQOSA-N 354.431 2.885 0 1 FFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 772052 SHXDZTNHAUJFPI-INMHGKMJSA-N 362.813 2.912 0 1 FFAF CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(Cl)cc1F 102900307 CMHSXKZILIXGET-UHFFFAOYSA-N 371.821 2.882 0 3 FFAF CC(C)CNC(=O)c1ccc(OC[C@@H](O)[C@@H](C)NC(C)C)c(Cl)c1 28767898 BMGOQEXYMZQIGL-CZUORRHYSA-N 356.894 2.852 0 1 FFAF Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3S)cc2n(C)c1=O 61920898 VQNAPYDINZSJDS-UHFFFAOYSA-N 363.442 2.984 0 3 FFAF C[C@H]1C[C@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 36374678 YIPMKFWEORGSOZ-UAOKTRTFSA-N 360.406 2.614 0 1 FFAF O=C(CCC(F)(F)F)N1CCC(N2N=C(c3ccccc3)CC2=O)CC1 73199644 UBANYYOBAAHMCW-UHFFFAOYSA-N 367.371 2.957 0 1 FFAF Cc1ccc(NCC(=O)NC2CC2)cc1S(=O)(=O)C1CCCCC1 1911571876 CNCPYQZAOXAJKE-UHFFFAOYSA-N 350.484 2.792 0 1 FFAF O=C1NCC(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@@H]2c1ccc(Cl)cc1 1911579845 FAJVQZCHZSFLEU-LPHOPBHVSA-N 365.820 2.794 0 1 FFAF O=c1[nH]c([C@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1 145051977 IVFWFHHENYUJLU-KGLIPLIRSA-N 351.410 2.527 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CN)n1 35415870 DCKBBOCQTCSAEI-UHOSZYNNSA-N 351.498 2.655 0 1 FFAF biogenic CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H]2[C@@H]4[C@@H]([C@H]3O)[C@H]12 299815476 LDDJTYOWMIGSGF-CBIYMXIJSA-N 356.554 2.976 0 1 FFAF Cc1nccc2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587203448 QHCHBYXCJSVTEY-CQSZACIVSA-N 354.366 2.709 0 1 FFAF C[C@H](F)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 587126765 YJGAQLVPJAMQCK-UCORVYFPSA-N 352.005 2.841 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCc3ccc(C(=O)O)cc31)NCC2 962928912 UISHQVRDGQCCGF-QFIPXVFZSA-N 364.445 2.812 0 1 FFAF CCCOC(=O)c1[nH]c(C(=O)NCC2CC2)c(C(=O)OC(C)(C)C)c1C 13533467 WZFGUJHWFJQRKS-UHFFFAOYSA-N 364.442 2.985 0 1 FFAF COC(=O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761236 DITCHBNAFIQQHK-UHFFFAOYSA-N 356.765 2.960 0 1 FFAF C[C@H]1OC2(CCN(CCc3ccccn3)CC2)CN(c2ccccc2)C1=O 1857572433 QPMLJPMWNURBDC-GOSISDBHSA-N 365.477 2.911 0 1 FFAF Cc1cc(NCc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1 34554298 GJEIGDFMFRYVLI-UHFFFAOYSA-N 364.449 2.760 0 1 FFAF Cc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1C 3665110 CSJHZDHGIWJBGL-UHFFFAOYSA-N 359.407 2.642 0 3 FFAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cc(C)ccn3)CN1CC2 6733238 XAYJELCFFHREMD-LNLFQRSKSA-N 353.466 2.821 0 1 FFAF COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2C3)cc1 100944657 PCMIHVHYLHCSMN-LSOMNZGLSA-N 366.417 2.981 0 3 FFAF OCCN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22925238 IKILHTNIHYFIHG-INIZCTEOSA-N 363.914 2.957 0 1 FFAF CC1=CC(C)(C)Nc2c1cc(Cc1cnc(N)nc1N)cc2[S@@](C)=O 29559917 MJKWMNDKZZOCPO-VWLOTQADSA-N 357.483 2.577 0 1 FFAF CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289201 FXWAFRDJXXFRPI-UHFFFAOYSA-N 374.242 2.959 0 1 FFAF COc1ccccc1N1CCN(CC[C@@H](O)COc2ccccc2)CC1 29481088 YLARZXKXRHGDEP-GOSISDBHSA-N 356.466 2.647 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)C=CC[C@@](C)(O)[C@@H](O)CC1 2356529467 HWHKBVPFJUPSOY-RAUXBKROSA-N 350.455 2.558 0 1 FFAF CCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@@H]2[C@@H]1C 2356663674 QJUKURZOKSVYNB-DPVBVWTISA-N 366.454 2.691 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CN(C)CC[C@H]32)cc(OC)c1OC 38824748 QZGOPRYNEGQTLA-FVQBIDKESA-N 362.470 2.563 0 1 FFAF C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71295220 JCZGGLMZFMKEMJ-YUNKPMOVSA-N 366.371 2.730 0 1 FFAF COc1cc(OC)c2c(c1)[C@](C)(O)C1=NCCc3cc4c(c-2c31)OCO4 15265671 JQGIQJSKFPVMEZ-FQEVSTJZSA-N 353.374 2.666 0 1 FFAF biogenic COc1cc(OC)c(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc1OC 14437424 FOPJFQPWIUNSAB-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COCc1cc([C@@H](O)CN[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 39238202 ITELRECMSVOHPU-UGSOOPFHSA-N 359.422 2.522 0 1 FFAF CC(=O)N1CCc2nc(NC(=O)N[C@H](C)c3ccccc3)cc3[nH]nc1c23 210731499 ZDEMPTKMUVCMJJ-LLVKDONJSA-N 364.409 2.750 0 1 FFAF COc1cccc(Cc2noc(-c3cccnc3OC3CCNCC3)n2)c1 225192780 ICQBPLHVPNKPHP-UHFFFAOYSA-N 366.421 2.862 0 1 FFAF CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C)C1 146475501 WYKJZKNQRNQISV-UHFFFAOYSA-N 363.343 2.928 0 1 FFAF C[C@]1(CO)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2)CO3)O1 238777482 ONCSDMGQHWYRHA-JLTOFOAXSA-N 354.358 2.613 0 1 FFAF CN1[C@@H]2CN(C(=O)Nc3cc(F)ccc3F)c3ccccc3[C@@H]2[C@@H]1CO 95893904 VIQJOZPEKPFISR-SQNIBIBYSA-N 359.376 2.775 0 1 FFAF NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)CC1 263620369 DNTNKJATBLJMII-UHFFFAOYSA-N 355.471 2.963 0 1 FFAF in-vitro C[C@@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccc(O)cc1 299822985 JBPPVWQXYIVZQG-FSGKZVOOSA-N 355.390 2.599 0 1 FFAF COc1ccc(C=O)c2cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)oc12 586904578 XRNRHBKCHAQVQS-UHFFFAOYSA-N 360.333 2.773 0 1 FFAF N[C@H](Cc1cscn1)c1nc2ccc(I)cc2[nH]1 587029254 LZOSTNVWTIQESI-SECBINFHSA-N 370.219 2.867 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587441407 SQXZQBCBEUFFLL-YHEJKZAPSA-N 363.413 2.703 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(F)(F)F)N1 587707261 VBEGIACVCRJDCD-GCXOYZPQSA-N 356.113 2.965 0 1 FFAF CCn1ncc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587433452 YKXJHCNRLYZSND-SAJDBWTASA-N 367.449 2.938 0 1 FFAF N=C(N)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587112418 UYLMLFUTIHQFTL-UHFFFAOYSA-N 361.327 2.796 0 1 FFAF Cc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202140 FXWNZLMBUUFLBN-INIZCTEOSA-N 353.378 2.793 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)C1 587132055 IBJLDLDTLWWMFR-SNVBAGLBSA-N 366.368 2.631 0 1 FFAF CN(C)S(=O)(=O)c1cccc([C@@H]2NCCc3cc(Cl)ccc32)c1 963389913 DNGLMXUEYYLTFY-KRWDZBQOSA-N 350.871 2.825 0 1 FFAF CCn1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)n1 962693534 GCKVDEZAJHPZCZ-BBRMVZONSA-N 371.334 2.923 0 1 FFAF Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)c2cc(C)on2)C3)n1 12079195 VJIICFIAIXFSDQ-OAHLLOKOSA-N 364.405 2.790 0 1 FFAF NS(=O)(=O)c1ccc(-n2cc(C(F)F)nc2-c2cccnc2)cc1 13812856 IVQDQSZNRHUBCL-UHFFFAOYSA-N 350.350 2.519 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC[C@@H](C)OC 13885175 MNHYAKKTEVCZLI-CYBMUJFWSA-N 371.909 2.798 0 1 FFAF NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205476219 HNLHTKUVXSMOJF-RBUKOAKNSA-N 368.364 2.560 0 1 FFAF COc1cc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1O 1857580588 NIDBPXPOXHSAMF-JXMROGBWSA-N 373.405 2.756 0 1 FFAF COc1ccc(F)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 1857758206 IMRPUHPFYBTGTM-LBPRGKRZSA-N 366.414 2.892 0 1 FFAF Cn1cc(NC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 15680467 IJIIHUALNJKNNG-CYBMUJFWSA-N 365.389 2.500 0 1 FFAF COc1cccc(NC(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@@H]3C2)c1 2356355536 GBTYUIUWZJFIQR-KRWDZBQOSA-N 372.469 2.982 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2)CO3)O1 2356400655 GAPUQIONZCUUIW-CJNGLKHVSA-N 356.374 2.531 0 1 FFAF NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1 114599960 WDGPUJLRSVLPNX-LJQANCHMSA-N 352.365 2.679 0 1 FFAF CC(=O)O[C@@H]1CCC(C)=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C 2356565641 GEJWFAFQALIJIQ-GHPDQTEQSA-N 350.411 2.548 0 1 FFAF N=C(N)C1=C[C@@H]2C=C(C(=O)N3CCC(Cc4ccccc4)CC3)N=C2C=C1 31259901 KVXKNKYHJPTYNK-GOSISDBHSA-N 360.461 2.855 0 1 FFAF in-vitro CC(=O)NC1CCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CC1 210710102 AORYJHIFGADLFZ-UHFFFAOYSA-N 360.421 2.601 0 1 FFAF COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CCOC1=O 14827339 MHRCICBXWGKYFB-QAPCUYQASA-N 364.401 2.627 0 1 FFAF biogenic CO[C@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@@H]1OC(=O)N(C)C 87723514 DIQQLBPGHRQICQ-MPBUKGMASA-N 360.454 2.727 0 1 FFAF COc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1OC 40421572 MPXGBZOVCVVBRH-QGZVFWFLSA-N 367.357 2.801 0 1 FFAF CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 95794067 UYIMSXLQNLUOCG-UXHICEINSA-N 370.880 2.901 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)[C@@H]4CCOC4)ncc23)ccn1 261154876 PSILBFLVNYZSEA-GXTWGEPZSA-N 366.425 2.875 0 1 FFAF O=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cscn1 473086399 HRUQGTHFIMOKFR-UHFFFAOYSA-N 370.434 2.738 0 1 FFAF N=c1nc(-c2cn(CN3C(=O)c4ccccc4C3=O)c3ccccc23)cc[nH]1 473083570 BWYXBUXYLSHCNO-UHFFFAOYSA-N 369.384 2.765 0 1 FFAF CC(=O)NCCc1ccc(O[C@H]2OCC[C@H]2O)cc1-c1cccc(F)c1 653740427 CTJUVGBGTMVIAG-WOJBJXKFSA-N 359.397 2.657 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O 587436418 QHVRXBNWUDITLO-YUNKPMOVSA-N 371.389 2.779 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 586942517 NILNXZFCSUOIPR-UHFFFAOYSA-N 374.304 2.814 0 1 FFAF CCN1C(=O)C[C@@H](c2nc3c(N)ncnc3[nH]2)[C@@H]1c1ccccc1Cl 587061110 KCMLMSQEPJUMNF-YGRLFVJLSA-N 356.817 2.666 0 1 FFAF COc1ccccc1N1C(=O)N(C(C)=O)[C@H]2[C@H]1Nc1ccccc1N2C 4982057 BEKBGNHWZFKNBX-ROUUACIJSA-N 352.394 2.698 0 3 FFAF Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21 28525112 BNSSSVJRNPIXFQ-UHFFFAOYSA-N 361.361 2.917 0 1 FFAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2n[nH]cc21 28948400 IOHGCEFLIGUPNB-ZDUSSCGKSA-N 355.413 2.889 0 1 FFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC(=O)c1ccccc1OCC1CC1)C2 101194805 VFRIHPWRNNTKEX-HZPDHXFCSA-N 357.454 2.540 0 1 FFAF CCCCC(CCCC)C(=O)N[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1 28376530 PZMNZELZNFVQAV-QGZVFWFLSA-N 366.527 2.914 0 1 FFAF COc1ccc2nc(NC3=NCC[C@]4(CN5CCC4CC5)O3)sc2c1 210863520 HDIHWUOVEKHKID-GOSISDBHSA-N 358.467 2.958 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F 216250449 ZBFIUOVVLMZHME-RSAASHCRSA-N 367.442 2.960 0 1 FFAF COc1ccc(C[C@@H]2COC[C@H]2[C@@H](O)c2ccc3c(c2)OCO3)cc1OC 14641999 FYOTVUDLKBICQX-ZOCZFRKYSA-N 372.417 2.971 0 1 FFAF biogenic FC1(F)CCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84670987 NIJROOKCOFTEPG-UHFFFAOYSA-N 357.474 2.838 0 1 FFAF CN1[C@H]2Cc3cc4c(cc3[C@@H]2[C@H]2O[C@@H]1c1cc3c(cc12)OCO3)OCO4 238755071 LUTHHZHBSYGWMF-XCXWGBRNSA-N 351.358 2.868 0 1 FFAF C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@@H]3[C@H]1CCC2=O 261494708 DTMWSKSAMRZGQH-LFPKGMGHSA-N 366.435 2.999 0 1 FFAF endogenous,world C=CS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485866 QANSXWAHBGZQOZ-UHFFFAOYSA-N 368.842 2.783 0 1 FFAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cnn[nH]1 473153334 AMDFLGLICMQTET-UHFFFAOYSA-N 367.752 2.511 0 1 FFAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCOCC3)cc21 653887150 UTNLRBJFSSUSOA-UHFFFAOYSA-N 374.441 2.703 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O 587440345 GLUCOEOZBCLFPU-MGPUTAFESA-N 354.358 2.821 0 1 FFAF CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587225023 UZTRSKYSQAIVRS-LBPRGKRZSA-N 361.199 2.727 0 1 FFAF CN(C)C(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587052352 PDJJEXZYBSJVKL-CYBMUJFWSA-N 358.829 2.866 0 1 FFAF COc1nc(OC)c(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587394457 VHSYJGVDPDXLPT-ZDUSSCGKSA-N 374.393 2.713 0 1 FFAF O=C1C[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587530965 XGNPBXSKKGFXJT-XBHMSOGKSA-N 358.390 2.855 0 1 FFAF O=C(O)CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354843 RVYMAWWCJDKIDN-QFBILLFUSA-N 374.320 2.578 0 1 FFAF Cn1cccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578947 SOAJBATTZPXBPH-OXJNMPFZSA-N 365.341 2.672 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)N1 962953399 RBHZEDWAALJGGM-KCXAZCMYSA-N 370.449 2.660 0 1 FFAF C[C@]1(c2cccc(O)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230995 RMJMGEPLSXBZQS-OXJNMPFZSA-N 352.365 2.942 0 1 FFAF Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 150260302 GVXCAUGQVPJPQN-INIZCTEOSA-N 351.189 2.988 0 1 FFAF O=C(NCCCCO)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167196759 JEESRCIUJYZLFR-UHFFFAOYSA-N 353.422 2.737 0 1 FFAF COc1ccccc1CCCNC[C@@H](O)c1ccc(O)c2nc(O)ccc12 1857572606 NIUAMIBWLXADAK-GOSISDBHSA-N 368.433 2.910 0 1 FFAF COc1cccc(Nc2cc(Nc3ccc(S(N)(=O)=O)cc3)ncn2)c1 1857656110 PBVPHWLEVCHIRS-UHFFFAOYSA-N 371.422 2.620 0 1 FFAF Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 1857749920 JGUIJYGWFILSMA-HXUWFJFHSA-N 356.489 2.785 0 1 FFAF N=c1ccc(-c2nn([C@H]3CCc4ccccc4C3)c3ncnc(N)c23)c[nH]1 1857762467 IQQBAGSHZZQVKD-HNNXBMFYSA-N 357.421 2.613 0 1 FFAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc2sc(CO)nc2c1 38248859 WGOAUHCYBVWDET-UHFFFAOYSA-N 356.329 2.793 0 1 FFAF CC(C)(O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@@H]1O 28096251 KFBQRZHPKRMWKO-OZOVBHBASA-N 371.521 2.828 0 1 FFAF COc1ccccc1N1CCN(C[C@H]2CO[C@H](c3ccccc3)O2)CC1 103221575 MRKSHNBMDFJXRE-RXVVDRJESA-N 354.450 2.931 0 1 FFAF O=C(O)c1noc2ncnc(NCc3ccc(CN4CCCCCC4)o3)c12 21365069 BBRHEULEDPWMSB-UHFFFAOYSA-N 371.397 2.897 0 1 FFAF CCCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27743386 ZZOQPXQYDQKGEB-CQSZACIVSA-N 374.481 2.899 0 1 FFAF COc1ccc(N2C(=O)CS[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 28955037 WZFFYRKWUPDJEW-KRWDZBQOSA-N 363.460 2.877 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CO)n1 2356860015 UAQDQCLPDPZLNI-QXAKKESOSA-N 352.482 2.688 0 1 FFAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3ccccc23)C(=O)N1 14585614 ZPYSWVAWFDJYIM-ZWKOTPCHSA-N 359.385 2.907 0 1 FFAF biogenic COc1ccc([C@@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 14642219 BQRGYTVSAXRQKZ-QYWGDWMGSA-N 372.417 2.971 0 1 FFAF biogenic N=C(N)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 42888729 MKIIDKZBQWKTCY-UHFFFAOYSA-N 370.428 2.949 0 1 FFAF COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O 198043461 ZNNJYKFHWZLLTN-AYZQKUJSSA-N 364.482 2.596 0 1 FFAF CCc1ccccc1-c1cccc2c1cc(C(=O)NC[C@@H](N)C(=O)O)n2C 43077744 NXEGCGFQDLAUJU-QGZVFWFLSA-N 365.433 2.549 0 1 FFAF CN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 96270033 DJPCJRHNYLYHJW-UHFFFAOYSA-N 357.454 2.825 0 1 FFAF COc1ccc(CN2C(=O)N3Cc4ccccc4[C@H]3CS2(=O)=O)cc1 96020207 FMICUDBRQRTBKF-QGZVFWFLSA-N 358.419 2.518 0 3 FFAF CN1C(=O)CN(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C1=O 95580569 DCVMEYFQKBFTRL-UHFFFAOYSA-N 368.176 2.792 0 1 FFAF O=C(Nc1ccc2oc(-c3ccccc3)c(CO)c(=O)c2c1)c1cnccn1 299871424 YMWJYYSHMPNHDV-UHFFFAOYSA-N 373.368 2.995 0 1 FFAF CCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473084589 SNBSGSLUOLPOGH-IBGZPJMESA-N 363.417 2.912 0 1 FFAF N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOC1 587248062 BJPRKLLBXOADBS-LLVKDONJSA-N 366.137 2.798 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(=N)[nH]c3)nc2c1 587254001 UTEHTYJUKVOBJV-UHFFFAOYSA-N 361.199 2.510 0 1 FFAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)s1 587014161 HTPBJKAGAGZPKB-VIFPVBQESA-N 366.468 2.740 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1 587564141 ZRAJQBHAEQWNLQ-AWEZNQCLSA-N 371.418 2.596 0 1 FFAF COc1cc(-c2nc3cncc(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587224669 POVDBTHCAHJQKH-UHFFFAOYSA-N 354.410 2.845 0 1 FFAF COC(=O)c1cccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962765179 MFYSJGZEELYFBF-CABCVRRESA-N 364.323 2.603 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCC3)ncc12 1772639532 JHKIDCQIDONTKN-INIZCTEOSA-N 367.409 2.744 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1C(=O)O)OCO2)OCO3 14930668 MVXPONFJJHYSIL-CQSZACIVSA-N 369.373 2.614 0 1 FFAF biogenic O=C(O)CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 169333664 MVBCYGBRMMUZFI-OUKQBFOZSA-N 352.390 2.933 0 1 FFAF CC1=NC(=O)N[C@@H](c2ccco2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169729705 LEUBPLYBGDDPML-HOTGVXAUSA-N 356.334 2.593 0 1 FFAF O=C(NCc1cccc(Cl)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205688029 CRWZJCFVPGFHRX-UHFFFAOYSA-N 373.771 2.865 0 1 FFAF NC[C@H]1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)C1 205251002 NBPQNKAZCNUSIZ-CQSZACIVSA-N 371.448 2.867 0 1 FFAF O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1Cc1ccccc1 766844 WVNKXGQFWOEZKY-MRXNPFEDSA-N 364.449 2.650 0 1 FFAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1 4264858 OQQVVKFFIXMMMC-UHFFFAOYSA-N 362.433 2.835 0 1 FFAF CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 4612164 YHIPHJQGXRCDFI-GJZGRUSLSA-N 368.499 2.549 0 1 FFAF Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)o1 7991225 NICRJXXZPLAFMD-MISXGVKJSA-N 374.340 2.753 0 1 FFAF CC(C)(C)n1ncc2c1CCCN(C1[C@@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 101668596 WBAXTNRSLNUYJC-QBHSBMGKSA-N 357.498 2.966 0 1 FFAF Cc1ccc([C@H]2CC(c3ccc(S(C)(=O)=O)cc3)=NN2C(N)=S)cc1 66259320 UISAGCHZHVJOQK-QGZVFWFLSA-N 373.503 2.793 0 1 FFAF Fc1cccc(-n2cc(CNc3cc(C4CCNCC4)ncn3)cn2)c1 39530876 SLZCNZGMIVMMRA-UHFFFAOYSA-N 352.417 2.881 0 1 FFAF CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 95893906 VIQJOZPEKPFISR-OKZBNKHCSA-N 359.376 2.775 0 1 FFAF CC1=C2CC[C@](C)(O)[C@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]2OC1=O)O3 238788883 DJANQNNGVQFNMT-NGHYGRGXSA-N 350.455 2.798 0 1 FFAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@H]2C1)c1ccccc1 257520739 QFVFKNNOHLGRBN-USYVTKNRSA-N 368.477 2.707 0 1 FFAF CC[C@@H]1C[C@@H]2C[C@](O)(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 85901862 JUVLOHBIAARAPO-PHAJSTNCSA-N 354.450 2.808 0 1 FFAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(=O)N(C)C)c1)O2 587386021 GMEMJGXYODKPOU-SFHVURJKSA-N 354.406 2.751 0 1 FFAF COC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2n1 587087885 YDAJFTPNUHSNFO-UHFFFAOYSA-N 366.972 2.614 0 1 FFAF COc1cccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 586940820 GZEOKYUTKPUJGR-KHPPLWFESA-N 357.435 2.970 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1CC1 587578923 BVACXIVTHWHEOA-PXNSSMCTSA-N 363.373 2.794 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1CC1 587578924 BVACXIVTHWHEOA-XLIONFOSSA-N 363.373 2.794 0 1 FFAF O=C(O)CCc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991365 UHRKKWXQQHOPPP-UHFFFAOYSA-N 363.325 2.867 0 1 FFAF CCOC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1 13776583 YFFCSWPASKXTLR-GOSISDBHSA-N 366.465 2.924 0 1 FFAF Cc1nc(-c2ccccc2F)c2c(N3CCc4cnn(C)c4C3)ncnn12 169711797 JYRWHVPLBWTVEW-UHFFFAOYSA-N 363.400 2.535 0 1 FFAF CCC[C@H]1c2c(nc3c(c2N)CCCC3)-n2c(=O)c3ccccc3c(=O)n21 1857640761 BSRJYCLMXUYJMR-INIZCTEOSA-N 362.433 2.711 0 1 FFAF CC1CCN(C(=O)CCc2nnc3ccc(NCc4ccco4)nn23)CC1 9744200 RYZZTPFBWMOKEH-UHFFFAOYSA-N 368.441 2.521 0 3 FFAF N[C@H]1CN(c2ccc3nccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707337 PZXXATRSXOEQQF-BMIGLBTASA-N 359.355 2.763 0 1 FFAF Cc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1 139367354 CQILVSBAOJYERG-UHFFFAOYSA-N 370.416 2.963 0 1 FFAF COc1ccc2c(CS(=O)(=O)c3nc4ccccc4[nH]3)cc(=O)oc2c1 84669065 XXZOWVHBFNQPMD-UHFFFAOYSA-N 370.386 2.652 0 1 FFAF Cn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 145256201 GVZZEAPBOBILMV-SFHVURJKSA-N 359.813 2.679 0 1 FFAF OC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 140125089 KRRSZDTXOOOKQA-UHFFFAOYSA-N 361.449 2.590 0 1 FFAF CC[C@@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1ccccc1 25429408 FKQFPVOKUSWUKU-SJORKVTESA-N 359.470 2.816 0 1 FFAF biogenic CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893690 JWRMARUXAIOAHV-PCCBWWKXSA-N 365.477 2.954 0 1 FFAF COc1cc(-c2cc(=O)c3cc(OC)c(OC)c(O)c3o2)cc(O)c1OC 96910396 ATPIHJKFWBNCAS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COC(=O)c1ccnc2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc12 587157904 VJWCOKDZZPDINX-SFHVURJKSA-N 354.341 2.675 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(=O)OCC)CC2=O 587475682 NINQSCVGGAIXOX-MRXNPFEDSA-N 358.394 2.961 0 1 FFAF COc1cncc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587111177 KJIXKDIKBJNKEM-UHFFFAOYSA-N 350.300 2.915 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587017724 OCUKCYSBXRPEHR-LBPRGKRZSA-N 351.409 2.785 0 1 FFAF Cc1cc2c(cc1O)[C@H](c1c(Cl)nc3sccn13)N[C@H](C(=O)O)C2 963474569 WMAGXXOGNCIZFC-CMPLNLGQSA-N 363.826 2.752 0 1 FFAF COc1ccc2nc(C)n(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2c1 1772611570 GFJIKFMUSKDBHH-UHFFFAOYSA-N 351.406 2.969 0 1 FFAF CCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358357 VSIIJDWZRDMFSE-GOSISDBHSA-N 355.390 2.897 0 1 FFAF Cc1nnc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C2CC2)N3)s1 13123778 YHWPRGCINJTQEI-PSASIEDQSA-N 372.376 2.993 0 1 FFAF CSc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1 13603246 XHKZSZVOXFDGBG-UHFFFAOYSA-N 357.479 2.928 0 1 FFAF CCCCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818328 CZUMQLZGEJZNQC-UHFFFAOYSA-N 370.453 2.925 0 1 FFAF COC(=O)[C@@H]1C=N[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 169714622 FOJDNZXXDIBNGC-FZWVUDROSA-N 351.450 2.965 0 1 FFAF CC(C)[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167363886 FBLLIYAHBGDBDL-LJQANCHMSA-N 367.449 2.981 0 1 FFAF Nc1ccc2nc(O)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c2c1 1857600731 NOGDEGZOXNCKCC-UHFFFAOYSA-N 364.390 2.688 0 1 FFAF C[C@@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@@H]1C(=O)O 2356483110 WYPBFWKSQCZTAI-GGGSXHOBSA-N 352.390 2.617 0 1 FFAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4050144 YZGQSIRIZMSKEX-NTDBWNAOSA-N 354.406 2.791 0 1 FFAF COc1ccc(-c2noc([C@@H]3C[C@@H](NCc4cccnc4)CN3C)n2)cc1 2356438671 OMSOYLRQMFOKEY-AEFFLSMTSA-N 365.437 2.675 0 1 FFAF Cc1cccc2c1N[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2 28529759 WUSUQKHDEJIFEV-AREMUKBSSA-N 374.341 2.526 0 1 FFAF CCCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1O 28260533 HEKGCOHQFZQHCJ-NSHDSACASA-N 371.275 2.768 0 1 FFAF CCCNC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)on1 61903981 NUHVKHPPQOGLHF-OAHLLOKOSA-N 371.437 2.843 0 3 FFAF CN1CCC(c2cc3c(-c4cccc(NCCO)n4)ccnc3[nH]2)CC1 226060302 RRYYSXNCESRHDH-UHFFFAOYSA-N 351.454 2.838 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1CCc2ccccc21 20463539 IJHMJOPMAYTVHD-ROUUACIJSA-N 356.466 2.789 0 1 FFAF biogenic O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@@H]1CN(CC3CC3)CC[C@@H]1N=C2 140080089 BGOCUVAKPSPUAI-SJORKVTESA-N 356.857 2.819 0 1 FFAF CCn1ccc2cc(C(=O)N[C@H](C3CCNCC3)C3CC(O)C3)ccc21 230510660 WJZLFVIRTJPDCH-AFMYVXGZSA-N 355.482 2.530 0 1 FFAF CC(=O)O[C@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1 40891744 VDFNZTMTSRBUGD-LJQANCHMSA-N 371.389 2.595 0 1 FFAF biogenic O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](CN[C@@H]1C(=O)O)C3 587106285 KQSYCHOEYSYTII-OGXQQIFESA-N 370.408 2.834 0 1 FFAF COC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1OC 587172208 ZPBBKDBRWQWECM-UHFFFAOYSA-N 372.352 2.955 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2cnc(Cl)cc2[nH]1)C(F)(F)F 587126654 DYPVWVOJVIBXHX-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF FC(F)(F)c1nn(CCc2nc3cnncc3[nH]2)cc1Br 587118625 QEKWXOMEDWKWFV-UHFFFAOYSA-N 361.125 2.573 0 1 FFAF CN(Cc1nc2ccc(O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928737 JDTOANPQBDPYMD-UHFFFAOYSA-N 351.815 2.743 0 1 FFAF COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2n1 587237298 RCFGJMCFUSUIIC-UHFFFAOYSA-N 362.430 2.621 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccco1 587614297 BVTYTGNBSFXPGM-KXBFYZLASA-N 352.298 2.927 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@H]([C@H]1C(=O)OC)N2C 587489185 STYRFOYVBRMUKU-LPIRWUFSSA-N 373.449 2.704 0 1 FFAF N=c1nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c[nH]1 587080952 ICKPKIWCJLCJFJ-UHFFFAOYSA-N 362.784 2.796 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1c(C)[nH]c(O)c1CC(=O)O 963268881 ACZSJZMWDHLALG-GOSISDBHSA-N 364.829 2.727 0 1 FFAF COc1cc2c(cc1OC)[C@](C)(c1cnc(S)nc1O)N(C)[C@H](C)C2 962568108 KXJNZIIYQVPHHP-MLCYQJTMSA-N 361.467 2.628 0 1 FFAF O=C(Nc1csc(CSc2ccccc2)n1)NN1CCOCC1 12354852 LQIZUJMDQXCHRU-UHFFFAOYSA-N 350.469 2.804 0 1 FFAF O=C(O)CCCCCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 13440566 YPSKAALBPPNZBC-UHFFFAOYSA-N 374.485 2.729 0 1 FFAF NCCC[C@H](Cc1cn([C@H]2CC[C@H](Oc3ccncc3)CC2)cn1)C(=O)O 169698784 WYBOFISFENYTDE-NXHRZFHOSA-N 372.469 2.823 0 1 FFAF Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3cc[nH]cc3Cl)ccc21 1857552146 IDRSBAYBYVONNJ-UHFFFAOYSA-N 360.845 2.715 0 1 FFAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cnccc4C)cccn3[nH]1)C2 1857637159 AULOAVZJTAZLNW-MRXNPFEDSA-N 373.464 2.707 0 1 FFAF Cc1cccc(-[n+]2c(O)c(Cc3ccccc3)c(=O)n3nc(C)ccc32)c1 704378 RPMZXHCQWXZEHW-UHFFFAOYSA-O 358.421 2.884 0 1 FFAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4052598 KDIJDWNBCDDYQN-RDJZCZTQSA-N 358.463 2.975 0 1 FFAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@@]21C 2356549794 KNOYIRAECGPNAK-MJPPONOTSA-N 364.482 2.556 0 1 FFAF C[C@@H](OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O)C1CC1 26291230 WTOORHANEMAYPO-LLVKDONJSA-N 350.436 2.952 0 1 FFAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 74379254 PNOUVGWTPBUHMV-YJBOKZPZSA-N 350.374 2.599 0 3 FFAF CC(C)NC(=O)C[C@]1(C)N=C(c2cccc(Br)c2)N(C)O1 74373505 NNHKSMMAEAVNOJ-OAHLLOKOSA-N 354.248 2.704 0 3 FFAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cnccn3)no2)CC1 73197938 DDGZJJNRTBUISZ-UHFFFAOYSA-N 355.320 2.575 0 1 FFAF COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@H]2[C@@H]1Nc1ccccc1N2C 227219361 IBBLLPWOXOMSSW-CEXWTWQISA-N 351.406 2.504 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 195501455 GPBCQGAAWLZWIS-CBGSPYFHSA-N 369.483 2.863 0 1 FFAF CNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1 82155858 UHCHHHXYTUSMOL-UHFFFAOYSA-N 365.437 2.727 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@@H]21 96904648 KRFXWKURJSADKH-OPDDSMGGSA-N 350.455 2.551 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@@H](C(=O)O)C3 587207252 OYZOIKNZNWHGQQ-UONOGXRCSA-N 373.364 2.946 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(F)cc31)O2 587386315 XJZUDXQKENPIRD-LJQANCHMSA-N 355.321 2.938 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@H]2CCO)N1 587762310 SHSWIZKYTCUJQV-NDGTYSDOSA-N 371.294 2.652 0 1 FFAF Oc1nc2cc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3cc2[nH]1 586966468 FDNAKNFWTDKDHO-UHFFFAOYSA-N 365.378 2.882 0 1 FFAF COCCN(C)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587428194 IHLFHCOKCRQRDE-QRWLVFNGSA-N 354.406 2.662 0 1 FFAF C=C(C(=O)O)c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O 587946538 WEOJURMSOYVAFM-GFCCVEGCSA-N 354.265 2.619 0 1 FFAF COc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587585949 IXSHVCDMANNAFQ-QAPCUYQASA-N 350.330 2.894 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ncnn2C)(C2CC2)N1 587759995 NKUYQPOGPKFUSA-ABKXIKBNSA-N 365.250 2.905 0 1 FFAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587068740 COGFUISZWOGVCH-NSHDSACASA-N 356.813 2.832 0 1 FFAF COC(=O)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587043435 ZMMZMRXBMOXFLE-CVEARBPZSA-N 354.435 2.691 0 1 FFAF C[C@@]1(c2ccc(C(N)=O)s2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962702536 AUMVQFGWXRZOHC-MEDUHNTESA-N 368.380 2.756 0 1 FFAF CC(C)N1CCC[C@@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962642380 ZGVNNYVMUJYZDG-WBVHZDCISA-N 372.387 2.884 0 1 FFAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)NCCc2c(C(=O)O)cccc21 963126656 WKNVXQDZKPUWIM-OAQYLSRUSA-N 353.418 2.954 0 1 FFAF COc1cccc([C@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 114876944 GTVRJNNFXVMASB-IAGOWNOFSA-N 373.430 2.702 0 1 FFAF COc1cc2oc(-c3c(O)cccc3O)c(OC)c(=O)c2c(O)c1OC 14436570 JYFSBQFJQQHJMM-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic,in-vitro CNc1nc(Nc2ccc(-n3cncn3)cc2OC)ncc1C(F)(F)F 169704313 ZCFJWRWQMTWUOV-UHFFFAOYSA-N 365.319 2.870 0 1 FFAF O=C(Nc1ccc2c(c1)CNN2)c1nscc1NCc1ccncc1 169721266 NBHSCHSGEYHEKE-UHFFFAOYSA-N 352.423 2.833 0 1 FFAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NC[C@@H](O)c1ccccc1 771741 FTZPDSDPPAJADB-UTKZUKDTSA-N 368.433 2.676 0 1 FFAF CO[C@H](CO)CCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2C(C)(C)O)cc1 2356353125 IORUILAZBKZNSR-UWHLTILDSA-N 362.510 2.883 0 1 FFAF Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247008 PWUMXBLOOZZPTL-XVAJTUGASA-N 362.495 2.972 0 1 FFAF O=c1oc2ncccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1 28264075 NWWIANVERZWOLK-UHFFFAOYSA-N 370.428 2.731 0 1 FFAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O 27756589 UPFMWWOGIXICKQ-BJLQDIEVSA-N 371.525 2.772 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(OCCn2ncc3ccccc32)cc1 27559823 NDAWUINATPEPPR-GOSISDBHSA-N 369.465 2.853 0 1 FFAF COc1ccc(-c2coc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 26827940 GYMYLXGYLHGXDH-UHFFFAOYSA-N 372.377 2.714 0 1 FFAF CC(C)(C)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356835644 KTRFAYDIKHWOAQ-BPQIPLTHSA-N 367.497 2.925 0 1 FFAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3ccccc31)CC2 137227980 MVFDPXNNNVOLFM-LJQANCHMSA-N 363.461 2.939 0 1 FFAF Cn1c(=O)c2[nH]c(Cc3cccs3)nc2n(CC2CCCCC2)c1=O 45385882 PPRODSARDQWINE-UHFFFAOYSA-N 358.467 2.656 0 1 FFAF NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1 40395084 FZLIWPMDHDJPEH-UHFFFAOYSA-N 368.340 2.601 0 1 FFAF CC[C@]12CCCN3CC(=O)c4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 33854426 CSZMJHLPPJDDBA-HLAWJBBLSA-N 368.433 2.593 0 1 FFAF biogenic CCOC(=O)[C@H]1CCCN(c2nc3c(c(Nc4cc(C)[nH]n4)n2)CCC3)C1 299866145 OMDKLJVXNMEYHS-ZDUSSCGKSA-N 370.457 2.520 0 1 FFAF Cc1ccn2c(C(=O)NCCC(=O)OCc3ccccc3)c(C)nc2c1 653739137 DZHOIMBADYKOHY-UHFFFAOYSA-N 351.406 2.814 0 1 FFAF C[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccc2c(O)nc(O)nc2n1 587562448 AUJQEXDNGKUHDP-SECBINFHSA-N 351.318 2.682 0 1 FFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 587164602 XKTAPBMNACZJES-NSHDSACASA-N 350.195 2.857 0 1 FFAF COC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587836844 XWUYPKZLANGPBL-HCYDYPBKSA-N 372.234 2.527 0 1 FFAF NCCOCCOCCc1nc2cc(Br)cc(Cl)c2[nH]1 587246923 YULMXRKGGMJGHX-UHFFFAOYSA-N 362.655 2.513 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H]2N 587388512 CJNDGAXYBPSKIN-FOIQADDNSA-N 354.406 2.859 0 1 FFAF CCCn1nc(C)cc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225254 JJBCNIZPLHASGT-HKUYNNGSSA-N 350.422 2.838 0 1 FFAF Cc1ccc(N[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1C 12304132 FXPXBNILBMIGBH-SFHVURJKSA-N 356.470 2.753 0 3 FFAF COc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1OC 12600582 CUVUPOUYAHKGCP-YCPHGPKFSA-N 363.454 2.730 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1 13864662 ONQRNGWXVWFLDX-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic Cc1ccc(OC2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)C3)CC2)cc1 15076752 WJVUYTCEKMRIDI-INIZCTEOSA-N 356.466 2.766 0 3 FFAF O=C(COCc1ccccc1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356313499 CQMNIGZTGSQRHM-GOSISDBHSA-N 366.417 2.961 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100797250 ZYHSHBUXMTUHNX-MLYOOKFZSA-N 361.482 2.699 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@@H]32)cc1 64453635 FDDPSZVKVPUOOD-LLGFUMIMSA-N 359.385 2.868 0 1 FFAF COc1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)c(OC)c1 28523161 YSDUZXIWUVLNJC-UHFFFAOYSA-N 368.389 2.886 0 1 FFAF C[C@@H](C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 36408078 SVHLVDCWHKBOIB-GFCCVEGCSA-N 366.414 2.549 0 1 FFAF COC(=O)C1=C(N2CCC[C@@H]2C)[C@@H]2c3ccccc3S[C@]12C(=O)OC 34819615 KUBUYDVTPCZEOX-KLRAXDNASA-N 359.447 2.713 0 1 FFAF C[C@H]1CCCN1c1nccnc1C1CN(C(=O)c2nc3ccccc3[nH]2)C1 144714144 NQNKRCKQXRKBQF-ZDUSSCGKSA-N 362.437 2.581 0 1 FFAF C/C(CC[C@@]1(C)C(=O)CC[C@@H](O)[C@]1(C)O)=C1/C[C@@H](c2ccoc2)OC1=O 238783128 OXEYBYROEZOPME-FOVDNFTASA-N 362.422 2.845 0 1 FFAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5c(C)cnn5C)c4[nH]3)ccc21 142931769 ZZVVJRGVMFMZSD-UHFFFAOYSA-N 373.420 2.768 0 1 FFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CC3)no2)n1 142078318 WJWKZWMICAWIME-CMPLNLGQSA-N 358.402 2.891 0 1 FFAF C[C@@]1(c2cccc(CC(=O)c3ccc(NC=O)cn3)c2)CCSC(N)=N1 96174274 ZYFSHFOSEFDJHG-IBGZPJMESA-N 368.462 2.742 0 1 FFAF CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1 40891745 VDFNZTMTSRBUGD-IBGZPJMESA-N 371.389 2.595 0 1 FFAF biogenic O=C(NCCc1nc2cc(Cl)ccc2[nH]1)c1ccc(-n2cnnc2)cc1 299865766 UMCQBOGZDJUFAM-UHFFFAOYSA-N 366.812 2.770 0 1 FFAF COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br 653709014 IPGCSWCSFVWPOK-UHFFFAOYSA-N 356.245 2.850 0 1 FFAF COC(=O)[C@H](OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797274 VYLVMIHSLDUPEB-AFEMSUNCSA-N 360.223 2.526 0 1 FFAF COc1ccc([C@@H](O)[C@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 587936423 LBONCFPYVBSOCS-UFBFGSQYSA-N 363.215 2.913 0 1 FFAF O=S(=O)(NCCc1nc2cccnc2[nH]1)c1c(Cl)cccc1Cl 586942888 SGXLSUDQFGPDOU-UHFFFAOYSA-N 371.249 2.786 0 1 FFAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962929277 IHVYYNNESPCGQB-UYTHQXMGSA-N 358.482 2.886 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1cc(C(F)(F)F)ccn1)N[C@H](C(=O)O)C2 963523280 GVZOKIYEMQIUHK-SWLSCSKDSA-N 352.312 2.803 0 1 FFAF CC(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)NCc1ccccc1 5663018 DYIBVFCKZKUGRF-NRFANRHFSA-N 367.493 2.768 0 1 FFAF CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3)nc2n(CCC)c1=O 12405387 BBEXVXMDRRFCIG-DHZHZOJOSA-N 368.437 2.885 0 1 FFAF COc1cc2c(cc1O)[C@H](c1ccc3c(c1)OCO3)C1=C(C2)C(=O)OC1 154123718 QRTYFXLDISYXDF-IBGZPJMESA-N 352.342 2.671 0 1 FFAF O=C(O)c1ccccc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1 1857610750 OBDYFVBCCRLLDR-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF NC(=O)N(O)Cc1ccc(OCCc2noc(-c3ccccc3)n2)cc1 600951 CHJPGFMDIGTJNQ-UHFFFAOYSA-N 354.366 2.628 0 1 FFAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc([C@H](C)O)no1 3590208 WQZHWXMLRCKWAG-ZDUSSCGKSA-N 357.414 2.547 0 1 FFAF CS(=O)(=O)c1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1 28474756 ZTXOKNHHUZHNFP-UHFFFAOYSA-N 354.391 2.538 0 1 FFAF CCCn1c(=O)c2[nH]c([C@@]34C[C@H]5C[C@H](C[C@H]3C5)C4)nc2n(CCC)c1=O 100377631 PJBFVWGQFLYWCB-OYQBKIEWSA-N 356.470 2.784 0 1 FFAF in-man C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 31705519 DTMWSKSAMRZGQH-JPVZDGGYSA-N 366.435 2.999 0 1 FFAF endogenous,world Nc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)ncc12 210678673 GVTWIUPSKQGJTH-GDBMZVCRSA-N 352.398 2.582 0 1 FFAF CN(C)CCN(C)C1CCN([C@@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95381234 YXONXQAKHFWERE-QGZVFWFLSA-N 371.884 2.563 0 1 FFAF CC(C)=CCC/C(C)=C/CNCC(=O)N[C@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41 254124494 IUZFKESOXYUGNF-JXCPBYQCSA-N 368.521 2.868 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cc(C)on4)ncc23)ccn1 261174935 UQVTXLQZFONUTC-UHFFFAOYSA-N 363.381 2.946 0 1 FFAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)nc(O)nc2[nH]1 586995360 FEWDXQRTZAJHHG-UHFFFAOYSA-N 365.187 2.841 0 1 FFAF Nc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C(=O)O 587248241 JDCHCAUMZXXFEL-UHFFFAOYSA-N 357.679 2.924 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N(C)C)[C@@H](C2)C3=O 587426580 AABIWKZMPSUBCD-YCRPNKLZSA-N 367.401 2.651 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586929870 HNYSXGGDJVJOSL-UHFFFAOYSA-N 371.340 2.917 0 1 FFAF OCc1ccc(F)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587141038 VJPHCVWVSNKLLR-UHFFFAOYSA-N 365.368 2.921 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2nccn2Cc2ccccc2)N1 962904391 VQYWRFXPABDWIL-FUHWJXTLSA-N 351.381 2.759 0 1 FFAF COc1ccoc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962648355 ZOGPVXMOPNBKTL-DGCLKSJQSA-N 357.284 2.875 0 1 FFAF COc1ccc([C@H](c2ccc3cccnc3c2O)N2CCOCC2)cn1 144579004 HSBWKQNIUAMKKU-LJQANCHMSA-N 351.406 2.766 0 1 FFAF CC(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755807 NXDLHDKFKUJAIL-UHFFFAOYSA-N 354.431 2.537 0 1 FFAF Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)NCCC(C)C 15778394 OCICMIFMJZDAIU-UHFFFAOYSA-N 356.426 2.902 0 1 FFAF O=C(O)COC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 885243 YDCIZKWYNIMQJI-OQSMONGASA-N 354.358 2.512 0 1 FFAF COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)ccc2N)cn1 103252884 DUGGQECQOXZLJA-UHFFFAOYSA-N 355.419 2.805 0 1 FFAF COc1ccc([C@@H]2C=C(c3cccnc3)Nc3ncnn32)c(OC)c1OC 102794984 FUPBSIKRZWICGJ-HNNXBMFYSA-N 365.393 2.755 0 1 FFAF Cc1ccc(=O)n(-c2ccc(OCCCCN3CCN(C)CC3)cc2)c1 103233149 RGFJNBWDNOPWSJ-UHFFFAOYSA-N 355.482 2.552 0 1 FFAF COc1ccnc(N2C[C@H]3CN(C(=O)c4cccc5ccccc45)C[C@@H]3C2)n1 116823812 GBOGADFPCXULPQ-IAGOWNOFSA-N 374.444 2.847 0 1 FFAF NC[C@H](Cc1ccccc1)c1cccc(CNS(=O)(=O)CC2CC2)c1 114241738 ZDRRHNXYLOAVPH-FQEVSTJZSA-N 358.507 2.801 0 1 FFAF CCc1ccc(CCOc2ccc3c(c2)OC(=O)[C@H](C(=O)OC)C3)nc1 27088931 LMDZLUQBEMSKDT-KRWDZBQOSA-N 355.390 2.516 0 1 FFAF CS(=O)(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114772243 PEWPXHGTLLCHSU-UHFFFAOYSA-N 373.434 2.586 0 1 FFAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356305753 CIEXWVZQAWOCGE-HUUCEWRRSA-N 357.454 2.697 0 1 FFAF CC[C@H]1CN(C)[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356496607 LSPIQIBHDWRLMO-MIYRBYPRSA-N 356.466 2.598 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356713452 JFROLRTYTSCKNK-BQWAONEGSA-N 362.466 2.893 0 1 FFAF NC(=O)C1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72184449 KRQQFATWNLFZDV-MRXNPFEDSA-N 364.371 2.782 0 1 FFAF CC(C)Oc1cc(N2CCO[C@@H]3C[C@H]32)nc2c(-c3cc[nH]n3)nccc12 1911570892 UFIHJBPJNYJZNZ-GDBMZVCRSA-N 351.410 2.785 0 1 FFAF COCCCNC(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 82145001 WSAGYCSTDNIWKI-UHFFFAOYSA-N 372.469 2.667 0 1 FFAF COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1 40409777 YMBZXDHHTHRQGA-UHFFFAOYSA-N 356.447 2.575 0 1 FFAF O=C(O)[C@H]1CS[C@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49036052 MZTQHKMNBOOZNY-IAGOWNOFSA-N 350.484 2.730 0 1 FFAF CC(C)[C@@]1(O)/C=C/[C@](C)(O)CC[C@@H](O)[C@]2(C)CCC=C(CC1)C(=O)O2 238784066 CUWYFUIWYABLKL-WRYNHSONSA-N 352.471 2.638 0 1 FFAF COc1cc(OC)c([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 98085796 MUKXFOHIRNSOFT-MKCULMFZSA-N 364.438 2.621 0 1 FFAF CCOC(=O)c1c(-c2cccc(CO)c2)[nH]c2cc(OC)ccc2c1=O 95553408 HOSSVRGPOXRHIO-UHFFFAOYSA-N 353.374 2.873 0 1 FFAF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccccn3)CC2)C1=O 473111416 ZIBLJEPQESQYHQ-UHFFFAOYSA-N 358.486 2.746 0 1 FFAF Cc1cc2c(O)nc(O)nc2nc1-c1c(C)n(CC(=O)O)c2ccccc12 587559390 YCENDPUJQCKLLW-UHFFFAOYSA-N 364.361 2.759 0 1 FFAF COc1ccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1OC 587925714 HGIHVUJQPFTXKM-UHFFFAOYSA-N 366.465 2.923 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(c4ccoc4CC[C@H]1CC(=O)O)[C@@H](C2)C3=O 587454982 HHVOWLGGWAVUHC-YZIJFISFSA-N 354.358 2.968 0 1 FFAF CCOC(=O)Cn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431311 JRZAYHULWQPTSM-VLIAUNLRSA-N 370.405 2.560 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ncnn3c1C)CC2=O 587481785 IEORVTJMTYRZGQ-IBGZPJMESA-N 352.394 2.971 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173742 ILHMMFSGBLUJRI-MRXNPFEDSA-N 361.398 2.629 0 1 FFAF Cc1cc2c(cc1O)[C@@H](c1cc(-c3cccs3)nn1C)N[C@H](C(=O)O)C2 963523408 HRPUCKWPDSCVOO-KSSFIOAISA-N 369.446 2.851 0 1 FFAF O=C(O)CC[C@@]1(c2cccc(F)c2F)NCCc2c(C(=O)O)cccc21 963129451 FAQURWHIGSPVLO-LJQANCHMSA-N 361.344 2.917 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@]3(C(=O)O)c1ccc(F)c(F)c1 963059018 RUEOGKVPSXDKDT-FQEVSTJZSA-N 370.355 2.996 0 1 FFAF CCNc1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12 1772626338 UGISDNHLCKEIOJ-UHFFFAOYSA-N 371.404 2.651 0 1 FFAF CCc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2C 12481500 WGCXVCJWBFXPMR-UHFFFAOYSA-N 357.483 2.503 0 3 FFAF CC(C)(O)[C@H]1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1 13864663 ONQRNGWXVWFLDX-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic COc1cc(OC)cc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726080 FZVGEJMLVMKKAZ-JKSUJKDBSA-N 352.415 2.935 0 1 FFAF O=C(NCc1ccncc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167720126 REJYMODLFPCILN-UHFFFAOYSA-N 374.444 2.565 0 1 FFAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CC[C@H]1O 2356347137 JRCFLZQSHKOCLZ-XLIONFOSSA-N 366.454 2.886 0 1 FFAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 2480218 FRHISWKWFCTYPM-UHFFFAOYSA-N 370.380 2.886 0 1 FFAF COc1c(OC)c2c3c(nccc3c1OC)-c1c-2ccc(O)c(=O)c1OC 3644363 VEZOPPGUPLMWKT-UHFFFAOYSA-N 367.357 2.982 0 1 FFAF biogenic,in-vitro CN(Cc1ccco1)c1ncncc1-c1cccc(NS(C)(=O)=O)c1 4239370 WQEVESHWXMVPEY-UHFFFAOYSA-N 358.423 2.745 0 1 FFAF O=C(O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1 104416520 PWPFGLHPOSGTFU-UHFFFAOYSA-N 352.316 2.858 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccn4ccnc4c3)c(F)c2)C(=O)O1 103255126 OMGYQMYQUBRDBB-HNNXBMFYSA-N 368.368 2.602 0 1 FFAF Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 116823858 IXXZMCAXYXKFIZ-HDICACEKSA-N 350.466 2.919 0 1 FFAF O=C(Nc1ccc(-n2[nH]c(C(F)(F)F)cc2=O)cc1)c1ccncc1F 26748261 KRMOYGYZAMIRIU-UHFFFAOYSA-N 366.274 2.971 0 1 FFAF O=C([C@H]1C[C@H]1c1cccc(N2CCCC2=O)c1)N1CCN(C2CCC2)CC1 113831718 XAGDIZMJFDFBJY-PMACEKPBSA-N 367.493 2.614 0 1 FFAF CC[C@@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC3=O 2356554498 QGCCNDHQOLDQGR-APVNGSAXSA-N 352.434 2.782 0 1 FFAF Cc1ccc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)nn1 28455474 HBBOKNZBZPKVOV-UHFFFAOYSA-N 372.429 2.888 0 1 FFAF COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)NCC2 2356608754 UFZHGELLRRECQI-ROUUACIJSA-N 369.373 2.531 0 1 FFAF Cn1c(CN2CCOC[C@@H]2c2ncc(-c3cccnc3)[nH]2)nc2ccccc21 2356630788 DLNBEIHUBLNFKG-LJQANCHMSA-N 374.448 2.932 0 1 FFAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccccc2)CC1 2356670141 AZLCTTXLMHPKNM-ACRUOGEOSA-N 355.526 2.859 0 1 FFAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc3c2)CC1 35825975 OOYIGWVMYVWDDF-MRXNPFEDSA-N 371.481 2.626 0 1 FFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC[C@@H]1CCCN1C 82070774 PHDRXXVLXZPAJN-ZFWWWQNUSA-N 373.478 2.566 0 1 FFAF O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1 40395502 QTADKBWBFMMERU-UHFFFAOYSA-N 355.442 2.771 0 1 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@]34CC(=O)[C@@H]1C[C@@]23Cc1ccc(O)cc14 195383781 WWZJATZYCGKHLQ-ZJMJOCHXSA-N 351.446 2.609 0 1 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@]34CC(=O)[C@H]1C[C@@]23Cc1ccc(O)cc14 195383794 WWZJATZYCGKHLQ-ZIPUMODLSA-N 351.446 2.609 0 1 FFAF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(C(=O)O)O2 143087373 ZEQJLZISKIJRFI-SFHVURJKSA-N 350.367 2.550 0 1 FFAF COCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 143053390 FVJGEXBZYKDBJF-UHFFFAOYSA-N 371.368 2.831 0 1 FFAF C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473105942 UQSJWXCQTOPMAK-GFCCVEGCSA-N 353.357 2.613 0 1 FFAF O=C(CCn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12 653794378 BTPDSHOSRBAEII-UHFFFAOYSA-N 357.377 2.971 0 1 FFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587938636 XZESQTOAUZOLST-DIFFPNOSSA-N 360.435 2.812 0 1 FFAF N=c1[nH]ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004228 RUAZYZNPGGSCJK-MRVPVSSYSA-N 373.210 2.768 0 1 FFAF OCC12CCC(c3nc4ccc(CN5CCOCC5)cc4[nH]3)(CC1)CC2 586897918 FHLJQTNLCBTXIE-UHFFFAOYSA-N 355.482 2.979 0 1 FFAF O=C(O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586922447 MZGAVNKTPONUAE-UHFFFAOYSA-N 370.430 2.766 0 1 FFAF COC(=O)COc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442481 YDOJRYKXEPUNIA-JLTOFOAXSA-N 354.358 2.736 0 1 FFAF COC(=O)C[C@@]1(c2cncnc2)c2ccsc2CCN1Cc1ccco1 962712006 RJYHMHGNKVNWJU-LJQANCHMSA-N 369.446 2.996 0 1 FFAF CCOC(=O)c1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963524275 KRRGZANDNBFKIL-HRAATJIYSA-N 369.417 2.740 0 1 FFAF CC(C)(C)OC(=O)NCC[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963240893 ZTJVUTVCUXJUHD-SJORKVTESA-N 371.437 2.790 0 1 FFAF COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@@H]1C(=O)N2 208958074 BVJVVWOEIMRQHW-MRXNPFEDSA-N 352.390 2.717 0 1 FFAF COC(=O)[C@@]12CC3(CC[C@@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 169298678 FIBTWTLJSKPPQB-NZTMGFNQSA-N 370.445 2.780 0 1 FFAF COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)c2c1 167310628 KBVZYVDFFQIVIW-YJZQOORCSA-N 350.418 2.835 0 1 FFAF CC(=O)N1CCN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167924885 WQRITUWBUOFDKM-UHFFFAOYSA-N 364.449 2.903 0 1 FFAF Cc1nc(-c2cccnn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 205343915 KUEOYAJBAPAROU-UHFFFAOYSA-N 357.421 2.733 0 1 FFAF Cc1ccc(Cl)c(C(=O)NC[C@@H](c2ccncc2)N2CCOCC2)c1 207701737 WYPJOIBKVPORAF-SFHVURJKSA-N 359.857 2.847 0 1 FFAF O=C(NC1CC1)c1ccc(-c2cnc3c(=NCc4ccco4)[nH]ccn23)cc1 1857585564 OXZTZBDHLYGYGP-UHFFFAOYSA-N 373.416 2.916 0 1 FFAF CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccccc1 1650875 HCSNACQSVZNOHW-ZWKOTPCHSA-N 354.406 2.543 0 1 FFAF Cc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(N)c(=O)c2c1C 2523344 ZOTDZWIDSSVCSS-UHFFFAOYSA-N 362.436 2.989 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055212 CVCFWBBSOASEAO-DZGCQCFKSA-N 350.827 2.602 0 1 FFAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)N1CCOCC1 4208529 WZWQGNXLMJHEPV-WBVHZDCISA-N 360.797 2.884 0 1 FFAF CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl 26823792 RGVJFPMOLSXLGJ-UHFFFAOYSA-N 360.888 2.942 0 1 FFAF COc1ccc2c(c1OC)CN(C)C(c1cc3c(cc1CCO)OCO3)=C2 2356836811 LEBHFZUZJCQMQR-UHFFFAOYSA-N 369.417 2.911 0 1 FFAF CN(C)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139826094 VMAQNBRTXIKONU-GOSISDBHSA-N 374.492 2.769 0 1 FFAF O=C(NC(=S)Nc1sc2c(c1C(=O)O)CCOC2)c1ccccc1 198421944 OHWYZDOSPXBVBL-UHFFFAOYSA-N 362.432 2.646 0 1 FFAF CC1(C)Oc2ccc(-c3cccnc3F)cc2[C@@]2(COC(N)=N2)C12COC2 220715433 AVGCDLOTQSAMEY-FQEVSTJZSA-N 369.396 2.616 0 1 FFAF NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3 220070823 WXCUTWYVZVSZGP-SVMVAKDDSA-N 368.477 2.529 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccco1 95603353 SIHVCGAOCLWNGL-LJQANCHMSA-N 351.410 2.910 0 3 FFAF CN(C)C(=O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 95601493 LPSCHEXJBLIXDJ-NTEUORMPSA-N 359.476 2.602 0 1 FFAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 263590307 JXBDDXLVBQQGOX-SJORKVTESA-N 356.447 2.727 0 3 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)o1 586931096 KLPSSGKFEMFCMJ-UHFFFAOYSA-N 361.210 2.775 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)CC2=O 587482102 ZCRCHVZNJCEORC-YUNKPMOVSA-N 373.405 2.658 0 1 FFAF NC(=O)c1cccc2nc(C(F)(Br)Br)[nH]c12 587087043 LDHBGRITZHOXOA-UHFFFAOYSA-N 350.973 2.531 0 1 FFAF O=C(O)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967444 XQPSPCNLTGUMII-UHFFFAOYSA-N 353.363 2.998 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O 587440970 BXAACSCVGIGJLN-KKSFZXQISA-N 366.417 2.590 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1 586931616 GUESZPUTCOHVFI-UHFFFAOYSA-N 359.451 2.576 0 1 FFAF O=C1CCCC2=NC(=S)N[C@@H](c3cc(O)ccc3Br)[C@@H]12 169729725 VOOCZJZYMRYEMO-OLZOCXBDSA-N 353.241 2.894 0 1 FFAF COc1cccnc1C1CCN(CC2CCN(c3cnccn3)CC2)CC1 1857574969 ZYYIGGBRIFVPNW-UHFFFAOYSA-N 367.497 2.976 0 1 FFAF COc1ccc(-n2ncc(C(=O)N3CCCCC3)c2C2CCNCC2)cc1 7000423 TYDLPBWTIIOQCU-UHFFFAOYSA-N 368.481 2.974 0 1 FFAF CC/N=c1\c(NS(=O)(=O)c2cccs2)c(O)oc2ccccc12 103532135 FXRMXRPGPCQGIN-SSZFMOIBSA-N 350.421 2.921 0 1 FFAF COc1cc(O)ccc1-c1nc([C@@H]2SC[C@@H](C(=O)O)N2C)cs1 103234742 UXFHEZQWEWULHT-FZMZJTMJSA-N 352.437 2.655 0 1 FFAF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)O2)O1 29572001 RWTJAWXRNLZFQP-AQMNOWNJSA-N 356.503 2.951 0 1 FFAF CCC=CC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@H](O)CCCC(=O)O 2356732062 VLLDKSJDBRLUOY-GBESFXJTSA-N 350.455 2.905 0 1 FFAF COc1cc(C(=O)c2sc(N3CCCC3)nc2N)cc(OC)c1OC 73141845 JOBKKXCUFBRMMB-UHFFFAOYSA-N 363.439 2.582 0 1 FFAF CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 40165307 AOPOCGPBAIARAV-XUSAXVRVSA-N 350.455 2.905 0 1 FFAF in-man c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@@H]2NN=N[C@@H]32)cc1 195515945 USZKXDLHMKNUDS-HCXYKTFWSA-N 351.406 2.995 0 1 FFAF O=C(N1C[C@@H]2CN(c3ccncn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283281 MYTOPZVZKSDUHV-MFCSDITOSA-N 352.482 2.588 0 1 FFAF COc1ccc(/C=C2/c3cc4c(cc3CCN2C=O)OCO4)c(O)c1OC 238753504 KGIWWYFPJBFXLZ-CHHVJCJISA-N 369.373 2.651 0 1 FFAF CCN(Cc1cccc2ccccc12)c1cc(N2CCOCC2)[nH]c(=O)n1 95556460 YDEVUMKEGWCYPM-UHFFFAOYSA-N 364.449 2.786 0 1 FFAF CCOC(=O)[C@@H]1CCCN(c2nc3c(c(Nc4cc(C)[nH]n4)n2)CCC3)C1 299866144 OMDKLJVXNMEYHS-CYBMUJFWSA-N 370.457 2.520 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(N)=O)cccc2[nH]1 587038255 FRPWIGXCZWIGAZ-UHFFFAOYSA-N 360.399 2.527 0 1 FFAF CCN1C=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 587775469 SSXWGDIILPMRPW-QFYYESIMSA-N 352.251 2.967 0 1 FFAF CCC[C@@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430608 WAWKDMXOSJHWOG-MBOXBUPBSA-N 373.449 2.990 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 587558358 REVSEIOGTOWEIS-AAEUAGOBSA-N 372.425 2.865 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](C2=CNCCC2)(c2ccccc2)N1 962899136 OKSNBADKQZEEJJ-PZJWPPBQSA-N 352.409 2.936 0 1 FFAF CCOC(=O)[C@@H]1Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13814147 SOXNHABQJKXTLG-LJQANCHMSA-N 368.385 2.994 0 3 FFAF COc1ccccc1S(=O)(=O)/N=c1\sc(C(C)(C)C)c(C)n1C 14944732 GFAXZXAZKFZWSY-ICFOKQHNSA-N 354.497 2.991 0 1 FFAF CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1 14949195 JRLCFYYHBUWFDK-UHFFFAOYSA-N 359.405 2.555 0 1 FFAF O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774853 WWFASAWUBLUQCQ-ZDUSSCGKSA-N 372.808 2.745 0 1 FFAF O=C(OCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4094018 OTAIBVOSMCORKG-DACLVMHWSA-N 363.369 2.948 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 101347010 QWLAPSPAFCSTFN-WBVHZDCISA-N 374.396 2.951 0 1 FFAF COc1cc(-c2oc3ccc(C(=O)O)cc3c(=O)c2O)cc(OC)c1OC 27076529 UPPIZDBJMGMBKG-UHFFFAOYSA-N 372.329 2.890 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917283 AKYKYHKJUHUACD-JEKXPXOESA-N 350.499 2.681 0 1 FFAF COc1cccc([C@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)c1 73198126 LXWIQAQEDNMEBO-LJQANCHMSA-N 354.362 2.706 0 1 FFAF COc1ccc2nc(Nc3nc(=O)c4c(OC)cccc4[nH]3)nc(C)c2c1 38310515 CDYKLEUGEVMOBV-UHFFFAOYSA-N 363.377 2.936 0 1 FFAF Cn1nc([C@@H]2CCCN2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 71995141 QBYAIKAHQCIFAM-NSHDSACASA-N 367.375 2.562 0 1 FFAF C[C@@H]1C[C@@H](O)CC/C=C/CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 43022992 PAYXAYNFEVIEBJ-BOCAPUTCSA-N 368.813 2.899 0 1 FFAF CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205766 XHNHAQGKWUPBAH-HZPDHXFCSA-N 370.453 2.818 0 1 FFAF NC(=O)Nc1cc(-c2ccccc2F)sc1C(=O)N[C@H]1CCCNC1 84708662 UTGRXOOAFPYXGK-JTQLQIEISA-N 362.430 2.527 0 1 FFAF CC(C)n1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82206015 XZGKITADTDCUIY-HUUCEWRRSA-N 368.437 2.752 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccncn3)C[C@H]2CS1 146169280 RIDGBZAEKGYTQD-FGDXXIHYSA-N 362.405 2.789 0 1 FFAF CC[C@H]1C[C@@H](CO)C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@@H]12 238774878 MGINSSIKKGMDGW-GOVYDOAXSA-N 356.466 2.522 0 1 FFAF COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(OC)c1O 140616611 HWIAQPFITCEOMW-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF COC(=O)[C@@]12CCC[C@@]3(OC)C=CCN(CCc4c1[nH]c1ccccc41)[C@@H]32 238769633 KVLQNTRAADGZNE-NNWRFLSQSA-N 366.461 2.944 0 1 FFAF c1ccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)nc1 144519281 XUSZYJRONBLJFO-UHFFFAOYSA-N 360.465 2.921 0 1 FFAF CCOC(=O)C[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587520932 BREMHCZSRKAINI-HXUWFJFHSA-N 360.406 2.786 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 586927103 UEDGXFZEWWYGBJ-UHFFFAOYSA-N 370.203 2.930 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C(F)F)CC2=O 587463987 FRCJWFTVTDMMJW-GOSISDBHSA-N 370.348 2.836 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)nc2[nH]1 586962588 SHEAFAUSLVQOLM-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF O=C(N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)C(=O)O)OCc1ccccc1 587204177 VJVHOLYDTRRIOL-GFCCVEGCSA-N 374.784 2.533 0 1 FFAF NC(=O)NCCC[C@H](N)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587259902 OSSSAFZFGNBASK-HNNXBMFYSA-N 353.426 2.590 0 1 FFAF COc1ccc2c(c1OC)C1(CCN(c3cnccn3)CC1)N(C)[C@H](C)C2 962639453 QCQBNRDTQNLYFZ-OAHLLOKOSA-N 368.481 2.866 0 1 FFAF Cn1nnc2cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc21 962732165 XNQFNIUIPMVDAI-GDBMZVCRSA-N 360.339 2.703 0 1 FFAF COc1ccc(-c2[nH]ncc2CN(C[C@H]2CCC(=O)N2)C(C)C)cc1F 11820391 NYGHLIUKQJTMIN-OAHLLOKOSA-N 360.433 2.713 0 3 FFAF Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1ncc[nH]1 1857559089 JMUUUJBIGLJZDC-UHFFFAOYSA-N 366.446 2.547 0 1 FFAF N=c1nc(-c2cc(Cl)ccc2CO)[nH]c(=NCCCc2ccccc2)[nH]1 1857564779 ITJQCZIUBPLXKZ-UHFFFAOYSA-N 369.856 2.563 0 1 FFAF Cc1cc(N2CCC[C@@H](N)C2)n2nc(SCc3ccccc3)nc2n1 1857621123 QHJSGYFBXUWVGB-OAHLLOKOSA-N 354.483 2.653 0 1 FFAF CN(C)c1ccc(-c2cn(CCCCCn3cccc(O)c3=O)nn2)cc1 103255676 MNDYINHQBKGJPG-UHFFFAOYSA-N 367.453 2.749 0 1 FFAF COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(Cl)cc2n1 28817379 GIAPMXUIVAVKSV-CABCVRRESA-N 352.818 2.965 0 1 FFAF NCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337662 QPQXUWYBRBDMKL-IBGZPJMESA-N 365.481 2.977 0 1 FFAF CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF 28245268 PBTYEWDVXMRWOG-CVEARBPZSA-N 366.433 2.761 0 1 FFAF c1ccc2c(c1)OC[C@H](CNc1ncnc3c1nc1n3CCCCC1)O2 21870980 BSZBTYUUGSBGQA-ZDUSSCGKSA-N 351.410 2.805 0 1 FFAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1O[C@H]2C[C@@H](O2)[C@H]1CC=CCCCC(=O)O 2356744036 WOQBOHYWWJRXPR-DWGVPJFMSA-N 368.470 2.786 0 1 FFAF COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OS(=O)(=O)O 72120590 BHVGGZLUIUBYIK-UHFFFAOYSA-N 358.368 2.887 0 1 FFAF COC(=O)[C@@]12C[C@@H](O)CC[C@@H]1CN1CCc3c([nH]c4ccccc34)[C@@H]1C2 33829907 DJYUVQHOELNJST-VOJYLLLMSA-N 354.450 2.791 0 1 FFAF biogenic,in-vitro CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 142312184 CHFAZHKWOPVBBQ-AWEZNQCLSA-N 355.438 2.945 0 1 FFAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCOc1ccccc1 95602669 ABXHUVYJVFBEGA-GOSISDBHSA-N 363.421 2.878 0 3 FFAF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](C=O)CCC[C@@H]2[C@@]1(C)C[C@H](O)c1ccoc1 85723293 KWZXENAAJWFFES-KAHIACEGSA-N 350.455 2.704 0 1 FFAF biogenic O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2[nH]cnc2c1 299822909 QATKTEKFQJPTHD-UHFFFAOYSA-N 359.345 2.658 0 1 FFAF NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3cccnc3)c2)c1 653887083 JODAZKXCKQPFER-VOTSOKGWSA-N 374.400 2.806 0 1 FFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4O[C@H]4C)[nH]c3c2)cc1 586917114 LKRYOARSPGXWJE-MGPLVRAMSA-N 359.407 2.832 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CO)on2)N1 587791060 FHQHSGMUWFBLEG-AYVTZFPOSA-N 355.207 2.866 0 1 FFAF C[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)N(C)C 587190673 JEMWSDNIFCLVPP-ZCFIWIBFSA-N 364.618 2.709 0 1 FFAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587430310 DBZLINSXHAVFKJ-GGOSRDHOSA-N 367.449 2.764 0 1 FFAF N=C(N)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184072 COIHLWGGAHZHQO-UHFFFAOYSA-N 363.162 2.514 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(O)O)N1 587845810 FUYHAYPBBZITRS-VXJOIVPMSA-N 372.259 2.738 0 1 FFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(C(N)=O)c3[nH]2)c[nH]1 587060457 GMKDBHMBPARCJC-UHFFFAOYSA-N 364.796 2.852 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2nc(Cl)c[nH]c-2n1)C[C@H]1CCCO1 587198146 ZOKSWAZSIWWAEI-SNVBAGLBSA-N 367.837 2.874 0 1 FFAF COC(=O)c1cc2[nH]c(CSc3nnc(S)s3)nc2cc1OC 587025625 PBPJJNLVIGWMGY-UHFFFAOYSA-N 368.465 2.791 0 1 FFAF O=C(O)C[C@@H]1CC[C@@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962675966 XHGRAHKOBGVBOY-DYXDTQHNSA-N 368.433 2.804 0 1 FFAF COc1ccc2[nH]c(C(=O)O)c([C@@H]3NCCc4c3c(C(C)C)nn4C)c2c1 962918312 NYXWBGRHKNKPHZ-SFHVURJKSA-N 368.437 2.967 0 1 FFAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccc(F)cc1F)N1CCCC[C@@H]13 1772618182 MUPKIJQOKCBFBN-ODTDCLSCSA-N 359.372 2.787 0 1 FFAF O=C(NCc1ccccn1)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 13829183 NQIIKGKETXFCHS-VGEAAAHDSA-N 358.360 2.508 0 3 FFAF COc1cc(C)ccc1OCc1nc(C(=O)NC[C@@H]2CCCCN2C)co1 15078724 PZYJEOVVFIQIGE-HNNXBMFYSA-N 373.453 2.785 0 1 FFAF COCCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166932172 BWMSJRKIJQIWAN-UHFFFAOYSA-N 353.422 2.953 0 1 FFAF CN1CCN(C[C@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 1857754493 CFOXFRAOQLQYIQ-FQEVSTJZSA-N 368.433 2.561 0 1 FFAF CN(C)C(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 904452 UOCNPGIUOWZXAA-UHFFFAOYSA-N 356.451 2.691 0 3 FFAF Brc1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1 29134354 ODVSDFIRQLJCEU-UHFFFAOYSA-N 372.270 2.814 0 1 FFAF CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3C)CC2)cc1 28604355 SEGPGDHIBPENAA-FQEVSTJZSA-N 368.477 2.760 0 1 FFAF Cc1ccc(CN2CC[C@@H](CNc3ncnc4onc(C(=O)O)c34)C2)cc1 20847857 UGUGSQCCGKQMTB-AWEZNQCLSA-N 367.409 2.558 0 1 FFAF CCOc1ccc(-c2[nH]nc3c2CN(C(=O)c2ccnc(N)c2)CC3)cc1 23339883 PEJIDYKWPCNZOD-UHFFFAOYSA-N 363.421 2.651 0 1 FFAF CC(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3[C@H](OC(C)=O)[C@]2(C)[C@H]1C 2356674656 PWSFKAFOGDABJH-KRAFWLIGSA-N 350.411 2.847 0 1 FFAF COC(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3C)nc3ccccc23)CN1 66102450 QCNZUCJNJHGZSX-KBXCAEBGSA-N 362.433 2.921 0 1 FFAF C[C@H](CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)N(C)C 219757657 YGMOKKKGQNEBAV-LLVKDONJSA-N 356.405 2.836 0 1 FFAF COc1cccc(CC(=O)Nc2cnn(C(C)(C)C(=O)NCC(C)C)c2)c1 74387737 HIFRCQNSNKQREA-UHFFFAOYSA-N 372.469 2.580 0 3 FFAF CS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(F)n4)ccnc3[nH]2)CC1 226064397 GLOZKIYDYLJHPS-UHFFFAOYSA-N 372.425 2.813 0 1 FFAF Nc1nc(N)c2c(n1)N(c1ccccc1)c1cc(Cl)ccc1S2(=O)=O 40420314 WQCJLTFJYQSJMK-UHFFFAOYSA-N 373.825 2.910 0 1 FFAF COc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1 230567815 XVGGOBNPSRJHCR-KJXMEXGPSA-N 360.841 2.915 0 1 FFAF Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12 142930466 NCSCZUVPQAFJGQ-UHFFFAOYSA-N 359.865 2.513 0 1 FFAF in-vitro COC(=O)C1=C[C@]23C=C(C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@]2(O)O3 238744687 HGYRHUKDRSSJDP-RBMLPECSSA-N 360.450 2.781 0 1 FFAF CO[C@H]1CCN(Cc2cccc(C)n2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109463 MFKNYUUQUVQVGG-HBMCJLEFSA-N 352.482 2.506 0 1 FFAF CN(CCO)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144791039 UVNRPUWOEVRIKW-QGZVFWFLSA-N 351.324 2.530 0 1 FFAF Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CC2)cn1 143292764 RFQGMOMKALZEOS-UHFFFAOYSA-N 350.378 2.911 0 1 FFAF CC1=C(c2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586901301 GQPWKCKNTBHBAY-YJBOKZPZSA-N 360.417 2.887 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2CCCC[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 42920079 RQDJFQUVMRTABT-KTJYFRGRSA-N 370.829 2.931 0 1 FFAF CN1C(=O)CCc2cc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)ccc21 963025065 JHQWQALTHNWQMQ-OYHNWAKOSA-N 361.445 2.738 0 1 FFAF CC(C)([C@@H](O)CN1CCCS1(=O)=O)n1c2ccccc2c2ccccc21 148369707 RJZVJCVESVPNND-IBGZPJMESA-N 372.490 2.926 0 1 FFAF O=C(NCC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1 12198484 URGUMGCXFXJNOB-UHFFFAOYSA-N 352.337 2.688 0 3 FFAF CCC(=O)NCc1cc2c(OC)cccc2n1S(=O)(=O)c1ccccc1 13645604 JUQRTIXIBNGZLP-UHFFFAOYSA-N 372.446 2.913 0 1 FFAF CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OC 14965059 GIQOHHPCEJVZLQ-UHFFFAOYSA-N 353.371 2.896 0 1 FFAF O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F 206984960 UVJZMUNHHTYGEL-UHFFFAOYSA-N 373.294 2.754 0 1 FFAF O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(N2CCNCC2)cc1 1857537421 RYPZXBZTJMRYEZ-UHFFFAOYSA-N 371.506 2.776 0 1 FFAF CCN1CCN(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)CC1 1857615827 MVUNAAPODGSYBR-UHFFFAOYSA-N 365.499 2.971 0 1 FFAF COc1ccc(-c2cc(OC3CCOCC3)c3nc(=N)[nH]c(C)c3c2)cn1 1857630858 QNGJAIWBAJPHED-UHFFFAOYSA-N 366.421 2.979 0 1 FFAF Oc1cccc(-c2cc(N3CCOCC3)nc(NCc3ccncc3)n2)c1 66252062 ZVZVSWKUABXUMD-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)ccc2c1 28252010 UBWVGVSTKMQDQN-UGSOOPFHSA-N 358.438 2.650 0 1 FFAF Fc1ccc2nc(NCCN3CCOCC3)nc(NCc3ccco3)c2c1 66139017 SIGJBMBLOOMZQS-UHFFFAOYSA-N 371.416 2.718 0 1 FFAF Nc1nc(N)c2nc(N(C=O)Cc3ccc(Cl)c(Cl)c3)ccc2n1 26572535 VMBDOTJQCBVDSS-UHFFFAOYSA-N 363.208 2.659 0 1 FFAF COc1ccccc1CCCNc1cc(-c2ccncn2)cc(=O)n1C 66113353 VIYPKFOGJKIWRU-UHFFFAOYSA-N 350.422 2.896 0 1 FFAF COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 35259156 QLKCCYTUPSTQSQ-UHFFFAOYSA-N 356.426 2.946 0 1 FFAF C[C@@H](CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)N(C)C 219757588 YGMOKKKGQNEBAV-NSHDSACASA-N 356.405 2.836 0 1 FFAF CNCC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 45368358 VSJIBTMWOISLSW-UHFFFAOYSA-N 352.486 2.575 0 1 FFAF Cc1nc(N2CC[C@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12 222300050 BNTAEJNPQLMGDJ-NSHDSACASA-N 363.343 2.918 0 1 FFAF CCOC(=O)CCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O 82231683 QHJGIMVYFVETIM-UHFFFAOYSA-N 374.485 2.932 0 1 FFAF N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nsc3ccccc23)C1 45317905 UNZSVXYCAMZDGK-NVXWUHKLSA-N 366.490 2.879 0 1 FFAF COC(=O)[C@@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 146340609 CLVRLEZFLMKDMP-SNVBAGLBSA-N 354.834 2.841 0 1 FFAF COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 253681813 FKJWXENQWKBJRW-YOUVEECNSA-N 367.489 2.751 0 1 FFAF C[C@@H]1C[C@@H](O)CC=CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299811038 NWNWWZXMRPIFBT-MNOVXSKESA-N 368.813 2.899 0 1 FFAF O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)C2 85953910 KVEOHUPMCIAFAK-MRXNPFEDSA-N 350.326 2.685 0 1 FFAF biogenic COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C=O)c1 587440805 BFDCVHJYQYPDSW-DNVCBOLYSA-N 352.342 2.783 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 587224533 JTRUODGOQCMNSW-UHFFFAOYSA-N 374.788 2.505 0 1 FFAF Oc1ncnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586998455 KGOZGHPNWXHHHZ-UPHRSURJSA-N 361.155 2.720 0 1 FFAF O=S(=O)(CCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc2c(c1)CCC2 586922013 KAUPKJHFBHZQQN-UHFFFAOYSA-N 366.446 2.944 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(c4nnc(C)s4)CC1)[C@@H](C2)C3=O 587451088 HVJCKCNXQUHNFQ-ZDUSSCGKSA-N 357.435 2.642 0 1 FFAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cn1 587245114 OCIMBQLNDWUTOW-UHFFFAOYSA-N 362.397 2.585 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCCN(C)C 587871705 AFPGFSLJZYBJPN-UHFFFAOYSA-N 350.463 2.762 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2nccc(Cl)c2[nH]1)C(F)(F)F 587127217 OYFLJITZLACDLI-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF COC[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582836 RMWQPAUXVIXEET-FXAWDEMLSA-N 366.373 2.629 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(OC)cc2[nH]1)C(C)C 586932726 IVJWAXMGKKIYLG-MRXNPFEDSA-N 369.487 2.997 0 1 FFAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@@]2(CCOC[C@H]2F)N1C3 962639419 QJYDWOSVWLAQGJ-JNAXZKDPSA-N 362.445 2.905 0 1 FFAF COc1cccc([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)n1 1772581733 JQPFBPKZRBMCCY-LBPRGKRZSA-N 352.394 2.980 0 1 FFAF Cc1nnc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C2CC2)N3)s1 13123777 YHWPRGCINJTQEI-WPRPVWTQSA-N 372.376 2.993 0 1 FFAF CNS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 13544844 QXTQENNNPGWGQG-VXNCWWDNSA-N 363.479 2.955 0 1 FFAF O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC[C@@H](O)C1 13636708 DFBLBMAZODZWAV-QGZVFWFLSA-N 357.454 2.551 0 3 FFAF C[C@](O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F 13760230 GZWMDPGUFOOZAX-HNNXBMFYSA-N 371.336 2.752 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1C 13827429 KHLAUUIEUCVQRV-AUUYWEPGSA-N 359.422 2.901 0 1 FFAF COc1cc(C(=O)N(C)C)ccc1N=c1nc(OC(C)C)c2cc[nH]c2[nH]1 1857566252 YONINWBWIINNGS-UHFFFAOYSA-N 369.425 2.621 0 1 FFAF CCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1 917117 TXDMKMGDCVXDHD-UHFFFAOYSA-N 370.478 2.818 0 3 FFAF O=C(O)CCC[C@H](O)C=CC=CCC[C@H](O)CC=CCCCCC(O)O 2356284462 BZDHSIPNZCHPKA-QZTJIDSGSA-N 370.486 2.673 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2C(F)(F)F)C1 61903748 SLZSJZFPYYUMAJ-QGZVFWFLSA-N 372.387 2.710 0 3 FFAF Cc1cnc2c(NCCN)nc3cc(-c4cccc(CCO)c4)sc3n12 28950729 MEXOVCGPGSMZQQ-UHFFFAOYSA-N 367.478 2.825 0 1 FFAF Nc1cccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)c1 49113110 DWESOYJSBBZUMD-UHFFFAOYSA-N 372.432 2.901 0 1 FFAF CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82150713 RPANMQPLCQFZDP-UHFFFAOYSA-N 372.444 2.847 0 1 FFAF CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1cccs1 618013069 DWVYPFWKBZGMPD-COJSNBRMSA-N 372.494 2.523 0 1 FFAF O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1 299829096 HPBUDCFJCZABOH-UHFFFAOYSA-N 363.421 2.856 0 1 FFAF Cc1cc(N(C)c2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 473129466 GXLFLYOHFLRKQY-UHFFFAOYSA-N 350.422 2.607 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNc3[nH]cnc32)N1 587802151 KGHIPIAXSYUFPR-ANRSDYALSA-N 364.222 2.543 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 587398138 CIFJEFXLJIJFSD-COESMTMPSA-N 372.465 2.623 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ncnn2C)(C2CC2)N1 587756021 CMXTVSMHSZDPNG-FVMDXXJSSA-N 365.250 2.905 0 1 FFAF NCCOCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587244338 CYMHYAHRPYFXEG-UHFFFAOYSA-N 354.126 2.699 0 1 FFAF O=C(CN1C(=O)C(=O)c2cccc(Br)c21)Nc1ccccc1 14346223 STUCLMQDKQQARP-UHFFFAOYSA-N 359.179 2.617 0 1 FFAF Cc1ccc(C(=O)N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1 169312440 LXYZTCPZALBVKJ-UHFFFAOYSA-N 372.432 2.548 0 1 FFAF O=C(O)c1cc(=O)c2cc3c(c(Cl)c2[nH]1)-c1ccccc1S3(=O)=O 169319969 SZOSKLSTBMGIQZ-UHFFFAOYSA-N 361.762 2.693 0 1 FFAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 205424309 STQVRFFFVRWAMB-CQSZACIVSA-N 366.417 2.969 0 1 FFAF O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(N3CC[C@H](O)C3)ccc21 205630156 TVKZERPTKNAAIW-AWEZNQCLSA-N 367.430 2.587 0 1 FFAF COC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 1223733 XMAUGNDRSGSXCW-UHFFFAOYSA-N 355.419 2.964 0 1 FFAF FC(F)(F)Oc1ccc(CN2CCOC[C@@H](Oc3cnccn3)C2)cc1 2356299302 FEYODBHMHCQLRN-HNNXBMFYSA-N 369.343 2.655 0 1 FFAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356305752 CIEXWVZQAWOCGE-CABCVRRESA-N 357.454 2.697 0 1 FFAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCc2ccccc2C1 20574874 PHPBAFVKSHVUGK-UHFFFAOYSA-N 362.451 2.555 0 1 FFAF CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(F)c(Cl)c1 103771376 HVVMTSRTIKXIAL-UHFFFAOYSA-N 371.821 2.882 0 3 FFAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356484228 NCFPQWWUPUPGCB-QRVBRYPASA-N 374.529 2.972 0 1 FFAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CCO)C2=O 34804620 QUDCMYBYHAHRMK-UHFFFAOYSA-N 366.248 2.771 0 1 FFAF COc1cc2c(cc1O)[C@H](O)CN(C)[C@H]2Cc1ccc(OC)c(OC)c1 14687764 MSRVKQUDTFQGOI-DOTOQJQBSA-N 359.422 2.681 0 1 FFAF biogenic COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(O)c(OC)c2)cc1 14611959 YZPLNSCOENIBGH-UHFFFAOYSA-N 353.422 2.907 0 1 FFAF biogenic COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1O 14760203 PRIGOKTXLDIGNF-LSDHHAIUSA-N 358.390 2.689 0 1 FFAF biogenic O=C(O)[C@H]1CS[C@@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49036054 MZTQHKMNBOOZNY-SJORKVTESA-N 350.484 2.730 0 1 FFAF O=C(O)COc1nc2cc(Cl)c(C#Cc3ccc(CO)cc3)cc2[nH]1 141982841 DAZCJLUVDFGNLL-UHFFFAOYSA-N 356.765 2.572 0 1 FFAF COc1cc([C@H]2O[C@@H](O)[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O 96085939 REZVXIYYURPOSL-ARALLLCVSA-N 374.389 2.509 0 1 FFAF in-vitro COC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 377820927 DZGCJIXUSTYSDL-UHFFFAOYSA-N 368.393 2.672 0 1 FFAF OCc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185365 SEJHQIMMBHALLD-UHFFFAOYSA-N 351.147 2.722 0 1 FFAF CC1(C)CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347263 OVDUDZZUYOTIGK-OXJNMPFZSA-N 355.365 2.785 0 1 FFAF CCS(=O)(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 587234803 WXCVBMYDIOHROZ-UHFFFAOYSA-N 363.483 2.898 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccco1 587614296 BVTYTGNBSFXPGM-HNAYVOBHSA-N 352.298 2.927 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-n4cnnc4)c1C)[C@@H](C2)C3=O 587429256 AIAWGNYGDJRIRQ-HNAYVOBHSA-N 350.378 2.505 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CC(=O)O)c2c1 587648581 BWYOONCASSKCJJ-UHFFFAOYSA-N 364.810 2.914 0 1 FFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O 587400204 LTBRZWDBXASOGH-INIZCTEOSA-N 357.362 2.756 0 1 FFAF CC1=C(c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)NNC(=O)C1 587039267 CARHGTKFOUIHSN-UHFFFAOYSA-N 364.434 2.618 0 1 FFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(=O)O 587398136 CFZYFDKHJONNJT-MRXNPFEDSA-N 357.362 2.756 0 1 FFAF O=C(/C=C\c1nc2nc(Br)c[nH]c-2n1)Nc1ccc(F)cc1 587166782 IYAVRRORVCHQJX-WAYWQWQTSA-N 362.162 2.858 0 1 FFAF COC(=O)c1ccc(N)c([C@H]2NCCc3cnc4c(OC)cccc4c32)c1 963034117 LMNYPPWSOVDHFB-HXUWFJFHSA-N 363.417 2.847 0 1 FFAF C[C@]1(c2ccc(C(N)=O)s2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962702535 AUMVQFGWXRZOHC-BZNIZROVSA-N 368.380 2.756 0 1 FFAF COc1cc([C@@H]2NCCc3cc4c(cc32)OCCO4)cc(OC)c1OC 197446299 PQUKNJDHNPHWAF-IBGZPJMESA-N 357.406 2.719 0 1 FFAF NC(=O)c1cc(-c2[nH]c3ccccc3c(=O)c2O)ccc1N1CCCCC1 1772594280 SBQVZJRVMSRAGO-UHFFFAOYSA-N 363.417 2.990 0 1 FFAF C[C@@]1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1 13799859 LDDHERVSSWYDKG-HXUWFJFHSA-N 354.454 2.513 0 1 FFAF CCC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1[C@@H](C)[C@H](CC)O[C@](O)(CC)[C@H]1C 207173614 NPCODZUACZMXSK-FWKMEFJASA-N 372.502 2.690 0 1 FFAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccc(Cl)cc2)Oc2ccccc21 2356299703 MQDPFYGNBLAWPS-GOEBONIOSA-N 356.809 2.979 0 1 FFAF COc1cc(OC)cc(N2[C@H]3CC[C@H]2CC(c2cnc(N)nc2N)C3)c1 100782747 JGPAZLDJBCRUKN-STQMWFEESA-N 355.442 2.573 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2 100817392 GPTFOAJWBIXTMY-AAVRWANBSA-N 371.218 2.688 0 1 FFAF COc1cc(O)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@@H]1C2=O 2356500352 URESVQATQYONNI-RTBURBONSA-N 358.346 2.633 0 1 FFAF COc1cc(O)c2c(c1)O[C@H]1COc3cc(OC)c(OC)cc3[C@H]1C2=O 14610807 BCRQIJDETOPQBA-DLBZAZTESA-N 358.346 2.538 0 1 FFAF biogenic O=c1cc(-c2ccccc2)oc2cc(OCCCNCCO)cc(O)c12 45352364 VTBMWBADQAISFP-UHFFFAOYSA-N 355.390 2.516 0 1 FFAF COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 96271894 AUJZEJXAHZISEO-UHFFFAOYSA-N 357.293 2.891 0 1 FFAF CC(=O)NCCc1ccc(O[C@@H]2OCC[C@H]2O)cc1-c1cccc(F)c1 653740425 CTJUVGBGTMVIAG-UXHICEINSA-N 359.397 2.657 0 1 FFAF COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425926 IEMXDQCWWRNBQN-CWTRNNRKSA-N 360.312 2.789 0 1 FFAF Cc1c(Br)cnc2[nH]c(CCNC(=O)Cc3ccccc3)nc12 587228960 VOTPRYLWSUWFGT-UHFFFAOYSA-N 373.254 2.930 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1N)[C@@H](C2)C3=O 587416915 GEDISPVRDGMLAV-ZUZCIYMTSA-N 361.195 2.924 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586919953 AVHIRVWWPBLCLR-UHFFFAOYSA-N 371.340 2.959 0 1 FFAF O=C1COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2N1 587520385 ACDIULKEVKXOAR-KRWDZBQOSA-N 350.374 2.998 0 1 FFAF CCc1nnsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276936 XMNQPCSXELPASP-UHFFFAOYSA-N 368.212 2.728 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 587230137 FMIQADNSZCFQJH-CHWSQXEVSA-N 361.442 2.617 0 1 FFAF COCC(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 587562932 JPRQQGACIRSDTR-UHFFFAOYSA-N 362.021 2.846 0 1 FFAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 5965129 ALIZQELSMNFNPZ-BASYENTBSA-N 365.788 2.719 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](c2ccccc2)O1 13517452 BVPYVSBOBAVJSC-UZLBHIALSA-N 359.422 2.786 0 1 FFAF COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=O 13860478 ISCVOCJAPVYKDF-HNNXBMFYSA-N 357.797 2.846 0 1 FFAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CN(c2ccccc2)C(=O)C1=O 169344690 NUBPKCKSKOTMDF-CQSZACIVSA-N 362.307 2.876 0 1 FFAF O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]1O2 1857581998 NKDGMFLILJLZMX-BZSNNMDCSA-N 351.406 2.947 0 1 FFAF COC(=O)c1cc(=O)c2cc(NC(=O)NCc3ccccc3)ccc2[nH]1 1857639368 UGIUWPRAWZCRIG-UHFFFAOYSA-N 351.362 2.636 0 1 FFAF O=c1[nH]c2ccc(N(CCO)Cc3ccccc3)nc2nc1-c1ccccc1 766694 GGBFKNRGEBUQKN-UHFFFAOYSA-N 372.428 2.984 0 1 FFAF COc1ccccc1N1C(=O)[C@@H](C(C)=O)[C@H]2[C@H]1Nc1ccccc1N2C 4003436 IBBLLPWOXOMSSW-FHWLQOOXSA-N 351.406 2.504 0 1 FFAF NC(=O)[C@@H]1CCC[C@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 66075829 OASXAPUIZDEBLF-DKSSEZFCSA-N 365.468 2.591 0 1 FFAF CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC(C)(C)C 2356302114 MDMUXIUDEOUQJW-HUUCEWRRSA-N 351.878 2.506 0 1 FFAF O=C(Nc1nc2ccccc2n1CCCO)c1csc2cncnc12 113650339 RNJIKWIOOQQSMJ-UHFFFAOYSA-N 353.407 2.676 0 1 FFAF c1ccc2cc(CNCCCCNCCCCN3CCNCC3)ccc2c1 28823680 YDOBYDSFGDYMCV-UHFFFAOYSA-N 368.569 2.985 0 1 FFAF COc1cc(CN2C(=O)[C@H](C)ON=C2c2ccccc2F)cc(OC)c1 61903615 GKQDSZUPHVMJPR-LBPRGKRZSA-N 358.369 2.952 0 3 FFAF CC(C)(C(=O)NCc1ccco1)n1cc(NC(=O)Cc2ccccc2)cn1 74387754 TZLGAZFHCXXXFA-UHFFFAOYSA-N 366.421 2.709 0 3 FFAF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 73295585 SMBYDPDNDOHTHQ-QGZVFWFLSA-N 362.382 2.557 0 1 FFAF CS(=O)(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40894888 YITYYVMGNRMBSO-AZUAARDMSA-N 360.523 2.620 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]14C[C@@H](c1ccco1)OC4=O)[C@@]23CO 238761267 CKRQCQUCYGKPKV-JFYCFABHSA-N 360.406 2.614 0 1 FFAF CCCCc1ccc(NC(=O)N2C[C@@H]3C[C@H](NS(C)(=O)=O)[C@H]2C3)cc1 96095812 LIFRPBKOKVCBDP-HYVNUMGLSA-N 365.499 2.573 0 1 FFAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccnc(C(F)(F)F)c1 473134895 JKXNUULNJUZLBN-UHFFFAOYSA-N 363.343 2.631 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(F)c2[nH]1 587566492 PALWQLANWLVVEB-UHFFFAOYSA-N 356.369 2.760 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cnc3ccccc3c2[nH]1 586945200 BGMGOVZIHVTYJO-UHFFFAOYSA-N 356.407 2.729 0 1 FFAF CCOC(=O)Cc1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586968003 IOYHSYAYESJGND-UHFFFAOYSA-N 371.418 2.907 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587232321 WQTQTSWQDCWXBW-ZIAGYGMSSA-N 373.453 2.761 0 1 FFAF COCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593912 FWOVEGYFAAJZIL-PXNSSMCTSA-N 372.373 2.692 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](C(=O)O)NC[C@@H]31 587106121 IKGZRJIZIJVZKL-LRDNONRASA-N 356.381 2.759 0 1 FFAF O=C1N=c2ccccc2=C/C1=C1/N=NN(c2ccc(Cl)c(Cl)c2)N1 12726062 FQVNVUVXZHZUMM-RVDMUPIBSA-N 358.188 2.537 0 3 FFAF CCOC(=O)C[C@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 169328069 CVRIERYQZVPRIK-CZUORRHYSA-N 354.859 2.615 0 1 FFAF COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OCc2ccccc2)ccc1O 169687897 IVEOSZPCRBACFH-MSOLQXFVSA-N 368.389 2.986 0 1 FFAF C=c1c(C)c(O)c(=C)c(/C(=C/CCCCC(=O)O)c2cccnc2)c1O 169712487 YJKOSCRFSIUSOA-RQZCQDPDSA-N 353.418 2.699 0 1 FFAF C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 1857645436 PSBSPLYSCIXZNC-OAQYLSRUSA-N 350.510 2.980 0 1 FFAF CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 1080301 CEMDJRXKJDUJQM-DJDHSFSDSA-N 355.434 2.834 0 1 FFAF CCCS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc(OC)cc3)no2)C1 1362768 VGEWPCSQMVITMT-AWEZNQCLSA-N 365.455 2.664 0 3 FFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC 103539119 WAMYRZJIFKPJRY-CFBLSMTOSA-N 374.397 2.805 0 1 FFAF CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@@H]32)C1 29468197 FFSMUXROXURAGP-BSYSOCLGSA-N 364.574 2.932 0 1 FFAF Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1CNCCO 28087434 PISPWRJZOUBGAI-UHFFFAOYSA-N 359.433 2.752 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(O)c(OC)c3)oc2c1 14436794 PXABCNYYUFHVMN-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1ccc([C@H]2COc3c(cc(O)c(OC)c3OC)C2)c(O)c1OC 14437386 BYLATFGKENNWEF-LLVKDONJSA-N 362.378 2.851 0 1 FFAF biogenic O=C1c2cc3c(cc2OCN1Cc1ccccc1)C(=O)N1CCC[C@@H]1O3 72170678 IURRTSFKNDGNLP-SFHVURJKSA-N 350.374 2.633 0 1 FFAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCCCN(C)C)co2)cc1 82074029 RECFIZJHJLBVHI-UHFFFAOYSA-N 373.453 2.607 0 1 FFAF COc1ccc(-c2cc(NC(=O)CCCCN3CCCOCC3)n[nH]2)cc1 84740992 PNHTUMMCJLWVTR-UHFFFAOYSA-N 372.469 2.916 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3cc(F)ccc31)O2 587384403 LLJBTTMSMQLMFV-LJQANCHMSA-N 355.321 2.938 0 1 FFAF COC(=O)c1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2n1 586918400 YBJYOIXVNNORQG-RBZFPXEDSA-N 365.389 2.961 0 1 FFAF COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(O)cc2[nH]1 1772570606 WTYJKUDMDXNBEV-UHFFFAOYSA-N 357.391 2.786 0 1 FFAF O=C1C[C@@H](SCc2ccccn2)N1C(=O)NCCOCc1ccccc1 5934218 RBBFEHDURWQNNN-GOSISDBHSA-N 371.462 2.800 0 1 FFAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1OC 12003380 CZSUJFFIYBRMOZ-MRXNPFEDSA-N 361.438 2.552 0 3 FFAF CN(C(=O)c1ccc(C(=N)N)cc1)c1ccc2c(c1)C[C@H](CC(=O)O)CC2 13781402 QBRGCZVCDZXRMW-CYBMUJFWSA-N 365.433 2.827 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 13814963 AKYKYHKJUHUACD-ZNAIPRRPSA-N 350.499 2.681 0 1 FFAF C[C@@H](NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 18283536 QRYVAOVRYCYIPY-UVQFAXKASA-N 357.450 2.738 0 1 FFAF COc1ccccc1N1CCN(CCCCN2C[C@@H]3CCCCN3C2)CC1 19332325 QCRFQNCVBRGOHL-FQEVSTJZSA-N 372.557 2.725 0 1 FFAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@@H]1COc2ncccc21 205616001 GYTSAQDZDZROII-CYBMUJFWSA-N 353.205 2.673 0 1 FFAF C[C@H]1c2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C(=O)N1C 103231572 VLKCCKQSDNGREY-PFMRQGHBSA-N 369.471 2.907 0 1 FFAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(C3CCOCC3)C1)CC2 22919812 KDGONKJIBJFTKR-LJQANCHMSA-N 360.498 2.705 0 1 FFAF CCCCCC[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC 26146134 GGPADGTYHCKBRV-SJORKVTESA-N 362.470 2.521 0 1 FFAF COc1cc(C)c2c3c(c(O)c4c2c1[C@@](C)(O)C4=O)C(C)(C)[C@](C)(O)O3 2356801895 RTQXOIUEMIKKMN-WOJBJXKFSA-N 358.390 2.645 0 1 FFAF Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3cccnc32)cc1 49070613 HHIKSUGMZSRONC-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 85758511 QKXSRJAHTPTJNG-JBYITXMASA-N 368.514 2.916 0 1 FFAF in-man CN(Cc1cccs1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 96927686 UOMIGERFGLZAFO-QGZVFWFLSA-N 364.421 2.638 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)C[S@](=O)c4ccccc43)c(F)c2)cn1 95596738 BQMFYJPSTWAHDY-AREMUKBSSA-N 369.421 2.881 0 1 FFAF C[C@H]1c2[nH]c3c(Br)cccc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95592357 CGYJANFJUIIRRI-WRWORJQWSA-N 364.268 2.975 0 1 FFAF COc1cncc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)c1 263620429 FPQQERRFPULCIK-UHFFFAOYSA-N 365.437 2.878 0 1 FFAF in-vitro COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3C[C@@H]21)OCO4 36423503 GIVXYHGHGFITPJ-AWEZNQCLSA-N 353.374 2.728 0 1 FFAF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(C(=O)O)N1 587827964 MVPNVFRPBJOUCI-AYVTZFPOSA-N 374.206 2.657 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)C(C)C 586933500 TUTBYAUDGPFOJK-CQSZACIVSA-N 353.444 2.678 0 1 FFAF O=C(c1cncc(Cl)n1)c1c(CO)oc2cc(Br)cnc12 587275611 FFFFNIGWNJCWTJ-UHFFFAOYSA-N 368.574 2.757 0 1 FFAF O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccc(F)cc1 587167832 XRUIROPNVURXGW-WAYWQWQTSA-N 352.325 2.685 0 1 FFAF Oc1nc(O)c2ccc(Cc3ccc(Br)c(F)c3)nc2n1 587368320 NEZVSAUCUOOOJI-UHFFFAOYSA-N 350.147 2.928 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@H](Cc3ccccc3)C1)O2 587398117 BXQAXZLLQVBKDB-VFNWGFHPSA-N 350.418 2.803 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn(C)c2=O)N1 587775114 QNKGPUJNRWELHG-RFAUZJTJSA-N 351.219 2.911 0 1 FFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(CO)cc4[nH]3)cc12 587037305 GWEAFYXGDWZWHI-JTQLQIEISA-N 369.450 2.803 0 1 FFAF CC(C)(C)SC(=O)C[C@H]1NS(=O)(=O)OC[C@@H]1Cc1ccccc1 12472502 ASMGDVCRGGCZJF-UONOGXRCSA-N 357.497 2.527 0 3 FFAF CCN(CCOC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794990 KWNYQRRFEKXHCU-UHFFFAOYSA-N 354.458 2.917 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1C 169299324 LPCKYGOUPHLYKM-ILRNBGBRSA-N 365.429 2.652 0 1 FFAF CCC(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166652649 JQRHYRMHCQNVMU-UHFFFAOYSA-N 366.421 2.629 0 1 FFAF COc1ccc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@@H]2C(=O)O)cc1 1645054 YETYHCXNYZFWAD-DNVCBOLYSA-N 369.373 2.589 0 1 FFAF Cc1cc(C)c2c(=O)n(CN3C[C@H]4Nc5ccccc5[C@H]4C3)sc2n1 1659232 WPBHZIGUJVFMIY-GDBMZVCRSA-N 352.463 2.926 0 1 FFAF O=c1c(Br)c(NC[C@@H]2CCCO2)cnn1-c1ccccc1 103235326 GUMPAXGRKZYKRL-LBPRGKRZSA-N 350.216 2.586 0 1 FFAF C[C@H]1c2ccccc2Oc2cccc([C@@](N)(C(=O)O)[C@H]3C[C@@H]3C(=O)O)c21 29336124 KJYYHPYHZVZSCP-HVYIZGOBSA-N 353.374 2.903 0 1 FFAF CC=CC(=CC=C[C@@H](c1cc(NC(C)=O)c(OC)cc1O)[C@H](C)O)CO 2356874238 YUAMXQIJNWAZMP-XJKSGUPXSA-N 361.438 2.875 0 1 FFAF CC(=O)N1C[C@@H](C)Sc2cc(S(=O)(=O)NCc3ccco3)ccc21 34145535 YDTTYBPEHHSZAR-LLVKDONJSA-N 366.464 2.605 0 1 FFAF O=C(c1cnc(NCC2CC2)nc1-c1ccccc1F)N1CCOCC1 82150405 PCEQKHBPKBXCDC-UHFFFAOYSA-N 356.401 2.577 0 1 FFAF c1ccc2[nH]c(N3CC[C@@H](Oc4nccnc4C4CCOCC4)C3)nc2c1 96168997 SZHJJYPVSBBIHS-OAHLLOKOSA-N 365.437 2.905 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1[C@@H]1O[C@@H]1[C@@]13COC(=O)C1=CCC[C@@H]23 238745357 LVYKENVUSUNRRA-WLSOQCDOSA-N 356.374 2.551 0 1 FFAF C/C=C1/[C@@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 238731797 XYYNHAYSLUSRAP-JRZVNQNRSA-N 354.450 2.818 0 1 FFAF CCOC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587833770 IAUXKLCXCBQQJA-RVIYUIFMSA-N 372.234 2.527 0 1 FFAF COc1c(F)ccc(F)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587132926 LUXAUMYAKJPTBR-UHFFFAOYSA-N 367.377 2.767 0 1 FFAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1OC)(C(=O)O)[C@@H](C2)C3=O 587442046 JPQOXBZUYAEOTO-VBKZILBWSA-N 354.358 2.517 0 1 FFAF COCCCn1nccc1[C@@H]1NCCc2cc3cccc(OC)c3nc21 963058469 OZEFMNLGOUBIAW-FQEVSTJZSA-N 352.438 2.712 0 1 FFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCC[C@@H]2CCCO)N1 963229441 LCQLGFHPOZGVAX-RFVSGWPVSA-N 354.450 2.992 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@](C[C@H]1CCCN1)(c1ccccc1)NCC2 962927497 RHQRDVHQPZDNIV-OFNKIYASSA-N 363.505 2.920 0 1 FFAF CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 13325591 AQCWDMYAXGZHOF-OKCLKVODSA-N 350.455 2.859 0 1 FFAF O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ccoc2)CCCN1 14652487 CNJPJUFFFBTCBZ-LJQANCHMSA-N 369.465 2.743 0 1 FFAF biogenic,in-vitro Nc1ncc2cc(Cc3nnc4ccc(-c5ccccc5)nn34)ccc2n1 166088432 BIXMSFLQOIBJHX-UHFFFAOYSA-N 353.389 2.908 0 1 FFAF CC(C)[C@@H](CN1CCC(C)(C)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857746655 WAUWCODKZKJWGX-WOJBJXKFSA-N 373.541 2.669 0 1 FFAF C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C=O 103298576 LVQYSXFIJXWEGP-QMMMGPOBSA-N 370.839 2.750 0 1 FFAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356288590 HPTSPMBHFDPYPC-OKYOBFRVSA-N 363.546 2.844 0 1 FFAF Cc1cccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 100703229 TZAAXZGVIJOGJZ-HNNXBMFYSA-N 351.406 2.606 0 1 FFAF COCCN(C)c1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 20254782 UQOHSDKAUOTOKJ-UHFFFAOYSA-N 364.449 2.985 0 1 FFAF CC(C)(O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@H]1O 101499882 KFBQRZHPKRMWKO-DLBZZEGUSA-N 371.521 2.828 0 1 FFAF CC[C@H](C)CO[C@@H]1C[C@H](CO)CCC=C(C)[C@H](O)[C@@H]2OC(=O)[C@H](C)[C@H]12 2356383297 IWFZPNVCTDXDMP-NLCYNHTDSA-N 354.487 2.695 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(-c3ccccc3F)cnc21 27710446 OTXQWKQIYCTZFE-UHFFFAOYSA-N 361.376 2.950 0 1 FFAF O=C(O)[C@H](c1ccc2c(c1)OCO2)N1N=C(c2ccccc2)CCC1=O 26673074 OVFLISSUDZIRHC-SFHVURJKSA-N 352.346 2.568 0 1 FFAF N#Cc1cc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)ccc1O 118267007 UEYSRRKRVVEIKC-KRWDZBQOSA-N 362.389 2.550 0 1 FFAF COC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 28097105 VIXOIHNXULXOAA-KRWDZBQOSA-N 371.458 2.503 0 1 FFAF COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40391160 UGNSMPYSZOFILX-INIZCTEOSA-N 372.473 2.633 0 1 FFAF Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1 136442604 IQJMNZLVYKGIIF-UHFFFAOYSA-N 352.482 2.722 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 48998556 IACFKHAQKGTVTR-VUKVDKESSA-N 350.455 2.791 0 1 FFAF CCCC[C@H](CC)NC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1 45227846 TWESZURJXAGHDL-VQTJNVASSA-N 373.541 2.895 0 1 FFAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccco2)NC(=O)N1C 95590793 FTMYLLYSOIKOAU-KRWDZBQOSA-N 370.361 2.722 0 1 FFAF O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)n1Cc1ccccc1 95591846 FICFVCYWWQZKRN-UHFFFAOYSA-N 356.809 2.791 0 1 FFAF CC(C)(O)[C@]12O[C@H]1C[C@@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]13O[C@@H]23 653850796 CVHSWQYVSWALJZ-CDDFVRBZSA-N 350.455 2.744 0 1 FFAF Clc1ccc2nc(-c3nccnc3I)[nH]c2n1 587186811 VDWKVKOGIONJPK-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF CC1=C(c2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586901298 GQPWKCKNTBHBAY-QAPCUYQASA-N 360.417 2.887 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587041113 CYHXNGIBDRWDCM-MRVPVSSYSA-N 359.377 2.943 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743343 DGFHIXWUMFOCCW-ZKANADHPSA-N 365.250 2.897 0 1 FFAF Oc1nc(O)c2ccc(Cc3cc(F)ccc3Br)nc2n1 587368803 XLBWPUUDHKOBFD-UHFFFAOYSA-N 350.147 2.928 0 1 FFAF COc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186821 VTMJGJNQWIUWGH-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF FC(F)c1c(-c2nc3cc(Br)cnc3[nH]2)cnc2ncnn12 587127908 CTAKDNNDQCQPQX-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)c1c(Cl)ccc2c1CCN3[C@@H]2C(=O)O 962578335 XZFNCIRZEDRTLE-XSXMZEDRSA-N 361.825 2.752 0 1 FFAF CN1CN([C@H]2CC[C@H](CNC3CC3)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772657148 DGQAMQCKPGHQHH-CTYIDZIISA-N 353.470 2.675 0 1 FFAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccccc1 1772578882 FABRBZPRJHEKCE-XRYNCONFSA-N 351.402 2.842 0 1 FFAF CC1(C)CC(=O)c2[nH]c3ccccc3c2CC(=O)NCCc2cn1cn2 5544694 XEFQBZIYRWKUKV-UHFFFAOYSA-N 350.422 2.587 0 1 FFAF COc1ccc(C(=O)c2[nH]c(=O)cc3cc(OC)c(OC)cc23)cc1OC 13470134 SGMDPIGHJKCPHI-UHFFFAOYSA-N 369.373 2.794 0 1 FFAF CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 13538593 FUQAHBLEGDXXKS-UHFFFAOYSA-N 370.434 2.950 0 1 FFAF CC(=O)NCCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 4266698 XLAFZKRRRXDDLQ-UHFFFAOYSA-N 350.378 2.574 0 1 FFAF CCOCCc1ccc(OCCNC(=O)c2cc(CC)nn2C)c(C)c1 103291063 KSQUFUBDPMGWRJ-UHFFFAOYSA-N 359.470 2.679 0 1 FFAF Nc1c(Cl)cc(C(=O)OCC2CCN(CCF)CC2)c2c1OCCO2 103255766 PLPFOLRFOQREOM-UHFFFAOYSA-N 372.824 2.532 0 1 FFAF Cc1nn(C)c(NC(=O)CCN2CCCC2)c1C(=O)c1ccccc1F 29396273 NUVJOQSWQZOKRV-UHFFFAOYSA-N 358.417 2.523 0 1 FFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCC3CCCCC3)CO[C@H]12 4236465 XIGYXBCOIFRMLT-WJFTUGDTSA-N 360.454 2.940 0 1 FFAF biogenic O=C1COCc2ccc(-c3ccccc3)cc2N1CCN1CCOCC1 74375591 JGJIETUWEHLDKL-UHFFFAOYSA-N 352.434 2.549 0 3 FFAF O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 40391066 DPXBZUPCBINZLE-ZBFHGGJFSA-N 357.410 2.755 0 1 FFAF O=C1C[C@H](c2ccccc2)CCN1C[C@H](O)CN1CCc2ccccc2C1 221117679 JGLKMORHYGTOQD-IFMALSPDSA-N 364.489 2.812 0 1 FFAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1S(=O)(=O)c1ccccc1 49807524 NDESLPORKCHGFF-UVTDQMKNSA-N 362.794 2.622 0 1 FFAF CCN(C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95894888 KFWFFXHFBJTJDH-YPAWHYETSA-N 370.493 2.798 0 1 FFAF CN(C)c1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1 299829696 VCOIFZFTTRCGTJ-UHFFFAOYSA-N 361.308 2.598 0 1 FFAF Cc1cc(COc2ccc(S(C)(=O)=O)cc2)nc(-c2ccccn2)n1 653793230 MPBNAZWSQDPCAH-UHFFFAOYSA-N 355.419 2.830 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747041 OSVRVQMUJQPGAG-PWJLMRLQSA-N 365.250 2.897 0 1 FFAF CCOc1ccccc1[C@@](N)(c1nc2c(N)ccnc2[nH]1)C(F)(F)F 587091477 DNLSDAHZAFEUPK-OAHLLOKOSA-N 351.332 2.703 0 1 FFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 587125863 HAKKRNMOLNXCGT-UJURSFKZSA-N 372.742 2.541 0 1 FFAF CCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)OC)C1 587514483 ACWUMIZYHWPJTJ-DYESRHJHSA-N 357.450 2.784 0 1 FFAF COCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794757 PYXWHNMWCXVSDL-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF N=c1[nH]c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc-2c(Cl)[nH]1 587168945 TYXKVWDCAYXTIU-UHFFFAOYSA-N 370.779 2.635 0 1 FFAF CCOC(=O)c1c([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cnn1C 962618268 CAZGSVRRFVHXAY-SJCJKPOMSA-N 373.453 2.580 0 1 FFAF CCOC(=O)[C@@H]1CCC[C@@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962970255 FYTZDQZYTMYRPE-YALKKGATSA-N 373.783 2.776 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@](C)(N)C3)cc21 5930196 SYQVDGICCHUKDZ-LJQANCHMSA-N 361.417 2.521 0 1 FFAF COc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1 169342824 CLNKTAGHOZUCSU-UHFFFAOYSA-N 371.422 2.511 0 1 FFAF CC[C@@H](CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)OC 166644180 RDCYADGBLXWGNC-KRWDZBQOSA-N 368.437 2.784 0 1 FFAF O=C(c1ccccn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857612401 CWBLKBNCFMSXMO-IBGZPJMESA-N 362.433 2.893 0 1 FFAF NS(=O)(=O)c1cc(C(=O)CN2CCCc3ccccc32)ccc1Cl 1857646391 MMGNCOIFIVYOIY-UHFFFAOYSA-N 364.854 2.623 0 1 FFAF O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118673409 MTCFCASJWUBVGX-NSHDSACASA-N 356.451 2.726 0 1 FFAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccsc2)c1 116576807 DVHRSRHOJVNOEU-UHFFFAOYSA-N 351.428 2.707 0 1 FFAF CN(C)C1CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 27881515 LHJCONJJQHSUMF-UHFFFAOYSA-N 374.441 2.541 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@H]1CC=C[C@]23O 2356607603 NCBODEBWXNRTHV-GEINJRJHSA-N 358.390 2.534 0 1 FFAF CC=CC(=C[C@@H](C=C[C@H](C)O)c1cc(NC(C)=O)c(OC)cc1O)CO 2356831910 JSTRQEVJCFDTEN-XJKSGUPXSA-N 361.438 2.875 0 1 FFAF NC(=O)[C@@H]1CCCN1c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 39461389 ZNWGLIMZGSFFKN-AWEZNQCLSA-N 369.812 2.906 0 1 FFAF COC(=O)c1ccc(C[C@@]2(C(=O)OC)CC(=O)O[C@@H]2c2ccccc2)cc1 73158028 WYUFFOSVVBIDQL-WIYYLYMNSA-N 368.385 2.863 0 1 FFAF C[C@@H]1C[C@@H](O)C/C=C\CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 43067142 NWNWWZXMRPIFBT-UZAOFVRNSA-N 368.813 2.899 0 1 FFAF CS(=O)(=O)c1ccc(NN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 84672071 XYOHSAWSBRCVQI-MRXNPFEDSA-N 366.439 2.830 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](C)CC[C@H]2C1 40641246 IIRJNAAFTIUJOX-XQQFMLRXSA-N 351.878 2.924 0 1 FFAF COc1cc(C=O)c(OCc2cc(Br)cn3ccnc23)cn1 146014383 MDMKMMYYLANXAU-UHFFFAOYSA-N 362.183 2.892 0 1 FFAF CC(=O)O[C@@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C 238749412 OHMAVTDVTQMMMR-YMESHRCQSA-N 350.411 2.714 0 1 FFAF CC1(C)Oc2ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@H]1O 31168598 NEOCUCNBPRDPIK-SJLPKXTDSA-N 356.374 2.879 0 1 FFAF biogenic COc1ccc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)cn1 473121851 HSIGBDUYPMURSV-UHFFFAOYSA-N 365.437 2.878 0 1 FFAF COc1ccc(C[C@@H]2COc3cc(O)c(OC)c(OC)c3C2=O)cc1O 473126484 UATSFKYVCJWRLJ-LLVKDONJSA-N 360.362 2.558 0 1 FFAF CCOC(=O)CCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559930 PYSJEPMYSKFLFI-UHFFFAOYSA-N 369.377 2.825 0 1 FFAF Cc1ccnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 586955951 XARFJMNFXFYNAX-UHFFFAOYSA-N 362.842 2.981 0 1 FFAF COC(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2n1 587788162 YCCXGBRQGKIXDW-UHFFFAOYSA-N 353.378 2.877 0 1 FFAF N=c1[nH]cc2nc(-c3cc(I)ccc3Cl)nc-2[nH]1 587182904 PINOKPLTGUNLPR-UHFFFAOYSA-N 371.569 2.642 0 1 FFAF CN(Cc1nc2ccc3c(c2[nH]1)CCCC3)S(=O)(=O)c1cccnc1 586929531 XKKIUZNDTIMADJ-UHFFFAOYSA-N 356.451 2.657 0 1 FFAF CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc3c(O)nc(O)nc3nc1C2 587557028 FTKNUOFWNYEMQG-UHFFFAOYSA-N 372.425 2.552 0 1 FFAF O=C1c2ccccc2-c2cc(CC(=O)N3CCOCC3)nc3ccc(O)c1c23 586987966 JDGCKWHQPQEGNY-UHFFFAOYSA-N 374.396 2.553 0 1 FFAF CC[C@H](NC(=O)c1c(OC)ccc(Br)c1OC)[C@@H]1CCCN1 5923156 JFRVWLWCXBTSHH-RYUDHWBXSA-N 371.275 2.727 0 3 FFAF in-vitro C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)Nc2ccc(Cl)cc21 13470428 ONVJWTCYZZHCFH-DHDCSXOGSA-N 363.826 2.783 0 1 FFAF C[C@H]1Oc2ccccc2O[C@@H]1CNCC1CCN(c2ncccn2)CC1 13799865 OGJLWAUKNAZCQP-DNVCBOLYSA-N 354.454 2.511 0 1 FFAF CCCCC[C@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 13974391 PAVYSSGJRYCIIJ-SFHVURJKSA-N 362.470 2.708 0 1 FFAF N=c1nc(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)[nH][nH]1 1857615862 UQQKVCFHEQIIGA-QGZVFWFLSA-N 374.920 2.937 0 1 FFAF CN=c1[nH]cc(C(=O)OCc2cccc(C)c2)c2nc(-c3ccco3)nn12 1857773174 DBMSSTATMGSYKN-UHFFFAOYSA-N 363.377 2.513 0 1 FFAF CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 4612162 YHIPHJQGXRCDFI-CABCVRRESA-N 368.499 2.549 0 1 FFAF COc1ccc(C[C@@H]2COC[C@@H]2[C@@H](O)c2ccc(OC)c(O)c2)cc1O 2356382434 AOMUBLFRVWEUNV-SIFCLUCFSA-N 360.406 2.654 0 1 FFAF COc1ccc(CN(C)CC[C@@H]2CN(C)C(=S)c3cccnc3O2)cc1 26289964 FYMHLOFZFITERO-QGZVFWFLSA-N 371.506 2.981 0 1 FFAF CC(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3ccc(N)cc3)oc2c1 100807418 IJYYLEUDUIBMBQ-INIZCTEOSA-N 368.433 2.780 0 1 FFAF CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 114894647 KOZAUWSJLNLRBA-MRXNPFEDSA-N 368.416 2.743 0 1 FFAF CC=CC(=CC=C[C@H](c1cc(NC(C)=O)c(OC)cc1O)[C@@H](C)O)CO 2356874236 YUAMXQIJNWAZMP-CJNGLKHVSA-N 361.438 2.875 0 1 FFAF CCOC(=O)CN1C(=O)S/C(=C/c2coc3ccc(C)cc3c2=O)C1=O 40380639 WAODYJAKENTXDC-VGOFMYFVSA-N 373.386 2.701 0 1 FFAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C=O 222356792 IDGZWDPYDQBXHU-UHFFFAOYSA-N 363.421 2.934 0 1 FFAF COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1ccccc1 45302900 KZRUJNGFRFSHLO-FOWTUZBSSA-N 350.378 2.605 0 1 FFAF C[Si](C)(C)CCOCn1c(Sc2cccc(N)c2)cc(=O)[nH]c1=O 195523720 NANZJPSHZDOJPY-UHFFFAOYSA-N 365.531 2.582 0 1 FFAF O=C1OC[C@@H]2Cc3ccc4c(c3C(c3ccc5c(c3)OCO5)=C12)OCO4 238734718 NHPQUOJLDVERNK-LBPRGKRZSA-N 350.326 2.675 0 1 FFAF COc1cc2c(-c3ccc(N4CCC(C)(O)CC4)nc3)cnnc2cc1O 299868706 SGTBRJJVCFTDJZ-UHFFFAOYSA-N 366.421 2.757 0 1 FFAF O=C(Nc1cc(CO)ccn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653747390 DHPKYHMTJHTQKB-HNNXBMFYSA-N 352.394 2.899 0 1 FFAF COc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586681 LIXGSBNAJIROOP-CRAIPNDOSA-N 350.330 2.894 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cccnc1=O)(c1ccccc1)O2 587400550 QSZGOHTVQYFJLK-NRFANRHFSA-N 361.401 2.695 0 1 FFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586940858 IJNVAXOKWUZLQA-SREVYHEPSA-N 371.418 2.690 0 1 FFAF COC(=O)c1cc(OC)n(-c2cccc(Br)c2N)c1OC 587937861 ZMMSIZGXYSOFSZ-UHFFFAOYSA-N 355.188 2.626 0 1 FFAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 587236513 XCCJOEDBYDUVOA-RITPCOANSA-N 373.048 2.937 0 1 FFAF O=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1 5147285 PBNBLYKBJVTIMW-UHFFFAOYSA-N 352.482 2.543 0 3 FFAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(=O)O)C(=O)O 13741346 XBSAFVSKJABWDV-KDOFPFPSSA-N 369.417 2.966 0 1 FFAF COc1cccc(Cn2cc(COC(=O)NCCc3ccccc3)nn2)c1 203462641 NOUUCRSNVPCZTF-UHFFFAOYSA-N 366.421 2.804 0 3 FFAF C[C@@]12C=CC=CC3=C(COC3=O)C[C@@H](O)[C@H]1C(=O)O[C@@H](c1ccoc1)C2 1857743733 WLDOMKKPGHUEGE-WWNBULGVSA-N 356.374 2.621 0 1 FFAF O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCc1ccco1 4100753 DHZTWEGJJVCVDR-UHFFFAOYSA-N 373.412 2.780 0 3 FFAF Cc1ccc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 27325117 PDOUWTYEQULSSM-MRXNPFEDSA-N 371.462 2.799 0 1 FFAF COc1cc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc(OC)c1 115730701 QIQBGBFYWMRNDY-UHFFFAOYSA-N 370.409 2.735 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356597897 YDTXIOJZSQGXFJ-SWLSCSKDSA-N 362.430 2.767 0 1 FFAF Cc1c(N2C[C@H](C)O[C@@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27552400 SHNRRTSPZBPXFF-RYUDHWBXSA-N 356.422 2.957 0 1 FFAF CC(=O)N[C@@H](CSC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O 66258721 NKLKUGJQIQZADL-JTQLQIEISA-N 351.211 2.848 0 1 FFAF COc1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2ccccc2)C1 35966675 JCYDUAGFTWKEMN-UHFFFAOYSA-N 364.401 2.933 0 1 FFAF CN1CCC(Cc2noc(-c3cn(Cc4ccccc4Cl)nn3)n2)CC1 72132133 ZPFKFWKGSUOOCH-UHFFFAOYSA-N 372.860 2.914 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](C)CC[C@H]2C1 40641243 IIRJNAAFTIUJOX-UPJWGTAASA-N 351.878 2.924 0 1 FFAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@@]3(C)O)CC1 45366537 KKMHJHIDMHNWKZ-FQEVSTJZSA-N 356.397 2.575 0 1 FFAF Cc1ccccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O 299831416 DSRQRCUSASPOGU-UHFFFAOYSA-N 374.400 2.673 0 1 FFAF CCOc1ccccc1[C@](N)(c1nc2cc[nH]c(=N)c2[nH]1)C(F)(F)F 587093635 WQESWUDECKHMOQ-HNNXBMFYSA-N 351.332 2.534 0 1 FFAF O=C1C[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)Oc2c1ccc1c2CCCC1 587526333 PHOAWXPJKNMXBS-XBJPRQPRSA-N 353.462 2.887 0 1 FFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586940651 BORFYXBLZOXWBU-SREVYHEPSA-N 367.434 2.838 0 1 FFAF CCOC(=O)CCc1c(C)nc2nc(NCc3cccc(C)c3)nn2c1O 15668928 BCJGNKDWTXIQIH-UHFFFAOYSA-N 369.425 2.555 0 1 FFAF CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 19867345 GGAYKOPTOLHDON-MANSERQUSA-N 370.534 2.599 0 1 FFAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CN(c2ccccc2)C(=O)C1=O 169344692 NUBPKCKSKOTMDF-AWEZNQCLSA-N 362.307 2.876 0 1 FFAF CC[C@H](O)/C=C\C=C/C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 169622091 AOPOCGPBAIARAV-MVJLLYOFSA-N 350.455 2.905 0 1 FFAF COC(=O)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1[C@H]2C(=O)OC 2356471368 UPYLNDNOLFMOTG-LRGYGIHKSA-N 374.433 2.981 0 1 FFAF CN1C=CCC(C(=O)NCCc2ccc([125I])cc2)=C1 102312009 WGKJHLQCMOZBEZ-RFLHHMENSA-N 366.219 2.683 0 1 FFAF O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1c[nH]c2ccccc12 28520324 YWHAUAVPYNZOSF-NHCUHLMSSA-N 360.461 2.998 0 1 FFAF COc1ccc2nc3n(c2c1)[C@H](CNCc1ccc(C(=O)O)cc1)COC3 2356299480 IHJYOLZIDOKAAZ-OAHLLOKOSA-N 367.405 2.604 0 1 FFAF Cc1cccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)c1 26726566 YZUUILKYQVFYAE-LJQANCHMSA-N 367.449 2.589 0 1 FFAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](O)CC[C@H](C)[C@]12C 2356488495 OVZYDQPLJDOTDE-AFHQPIGPSA-N 362.422 2.863 0 1 FFAF Cc1[nH]c2ccccc2c1CCN1CCN(NC(=O)c2ccccc2)CC1 39219496 NOIYBDVJLSYTJB-UHFFFAOYSA-N 362.477 2.981 0 1 FFAF CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12 36380255 YAOINVBRFQCNER-UHFFFAOYSA-N 372.450 2.520 0 1 FFAF CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)nc2)cc1 43171599 RHNSOXQSQUJDQO-IAGOWNOFSA-N 364.442 2.698 0 1 FFAF CCOP(=O)(OCC)[C@H](O)c1cc2cccc(C)c2n2nnnc12 49052931 CQKKNMSNQFPKMD-HNNXBMFYSA-N 350.315 2.843 0 1 FFAF Cc1nc(-c2ccccc2)nc(Nc2ccc(CC(=O)O)cc2)c1C(N)=O 96938269 ILFJKIHYBJCGDE-UHFFFAOYSA-N 362.389 2.922 0 1 FFAF CCOC(=O)CCCNC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C 263590675 HCUUTVNQJQYSSU-DMRKSPOLSA-N 352.475 2.707 0 3 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ncc(Br)cc21 587374374 XLXLHZXLMNCAST-INIZCTEOSA-N 374.194 2.548 0 1 FFAF NS(=O)(=O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021532 LDYBYIXJVYHFDJ-UHFFFAOYSA-N 370.459 2.925 0 1 FFAF CCC12CN3CCN(CC(C3)[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)C2 587521617 BUMRCMBNFRIFSC-KGBGCIRMSA-N 366.505 2.927 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617212 JDFLXVDYTSEEFG-UCLAIMLFSA-N 372.398 2.771 0 1 FFAF CCOC(=O)C[C@@]1(C(OCC)OCC)CC(=O)c2cc(C)cc(N)c2O1 587402241 WFWGPUOEJYWGAJ-LJQANCHMSA-N 365.426 2.634 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1nc(O)[nH]c1C(=O)OCC)CC2=O 587482507 JGGVLNCWYPOWLV-CYBMUJFWSA-N 360.366 2.657 0 1 FFAF CC(C)(C)c1cc(Cn2cc(C(=O)NCCN)nn2)cc(C(C)(C)C)c1 1772615855 SXUJNBZLVIXVKD-UHFFFAOYSA-N 357.502 2.610 0 1 FFAF O=C1CO[C@@H](c2ccc(-c3cc4c(cc3Cl)NC[C@@H]4C(=O)O)cc2)CN1 1772609073 KAEKKSWHKAOWOV-WMLDXEAASA-N 372.808 2.788 0 1 FFAF COc1cccc(CC(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 12297295 RRMBGXFIPAMEML-INIZCTEOSA-N 372.852 2.808 0 1 FFAF Cc1cc(CNCc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)on1 12440915 QLHCHBQAZKIPKY-IBGZPJMESA-N 373.497 2.889 0 1 FFAF O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2CCc1ccc(Br)cc1 169295737 MYVMDLNNVMLPQJ-XDIZOSLTSA-N 358.279 2.752 0 1 FFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCCSC 4612155 LBORRRXNGFKXHD-ILYXUJSMSA-N 356.532 2.608 0 1 FFAF Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@@H]2C(=O)O 1857640435 KRGQLLZBQSLCGH-OAHLLOKOSA-N 352.415 2.906 0 1 FFAF COc1cccc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)c1OC 767455 HADUWEGBGRYLDY-NRFANRHFSA-N 368.433 2.803 0 1 FFAF O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCC1 2467810 CQECTTCCEAUNHI-UHFFFAOYSA-N 363.845 2.572 0 1 FFAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO 4212646 VGJDTVYZPXUESN-RTBURBONSA-N 362.470 2.826 0 1 FFAF O=C([C@@H]1C[C@H]1c1cccc(N2CCCC2=O)c1)N1CCN(C2CCC2)CC1 59050728 XAGDIZMJFDFBJY-VQTJNVASSA-N 367.493 2.614 0 1 FFAF Cc1cccnc1CN1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356288186 XVODWBBIAKPXIO-SFHVURJKSA-N 354.429 2.651 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 2356505017 NVCAZSJTTWNUBW-ZHASWTGMSA-N 362.466 2.893 0 1 FFAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356515012 VZYXNEBEPOYJPB-SJBKTWHCSA-N 365.477 2.674 0 1 FFAF CC[C@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356759867 GLLCWAAMMJOGIH-FLOQHRSSSA-N 362.429 2.737 0 1 FFAF CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C2CCC2)c2ccccc21 43122726 IWVPGLLZAJONSB-UXHICEINSA-N 351.450 2.698 0 1 FFAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@@H](CC)N2 82207771 BKCSAXVBDKIBOM-OAHLLOKOSA-N 372.469 2.635 0 1 FFAF Cc1ccnc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)n1 145842136 XLWWRUKGJFPXIQ-AWEZNQCLSA-N 368.412 2.957 0 1 FFAF O=C1CO[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 238744739 BVULGJPUHQGXLW-KDOFPFPSSA-N 354.358 2.513 0 1 FFAF CCC[C@@H](CC1(C(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)CCCC1)C(=O)O 261148838 OLJFAUHUGYPHKD-SOUVJXGZSA-N 352.475 2.598 0 1 FFAF C[C@@]1(CO)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 40393163 PNMOOGSNXGIKSQ-JXFKEZNVSA-N 370.357 2.667 0 1 FFAF biogenic C[C@H](C(=O)N[C@@H](CO)c1ccc(OC[C@H]2CCO2)cc1)c1ccccc1 299869503 UUOMXEMSTHLAMF-BEVDRBHNSA-N 355.434 2.808 0 1 FFAF CC(C)(C)OC(=O)N1CCC2(CCc3cc4c(O)nc(O)nc4nc32)CC1 587559293 WVUCEIABBUZUKX-UHFFFAOYSA-N 372.425 2.651 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(C(=O)O)N1 587825840 FTPKEAYWIUWNEE-VXJOIVPMSA-N 374.206 2.657 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1nc(C(F)(F)F)cs1)N[C@H](C(=O)O)C2 963511040 RYEYYRFTFMGYOE-UFBFGSQYSA-N 358.341 2.864 0 1 FFAF COc1ccc(OC)c(S(=O)(=O)Nc2cncc(-c3ccncc3)c2)c1 221583290 LKFCVRWEERLVQB-UHFFFAOYSA-N 371.418 2.962 0 1 FFAF CN1CCN(C(=O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)CC1 1772635496 ZXTUGALSRNGGLP-UHFFFAOYSA-N 360.461 2.991 0 1 FFAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(O)cc1)C(=O)O 13758274 HVWUYSRTZMPCPD-KRWDZBQOSA-N 356.440 2.519 0 1 FFAF COc1ccc(-c2cnc3nc(N)nc(N4CCCCC4)c3n2)cc1OC 589112 CNEGXDWDBOGMRX-UHFFFAOYSA-N 366.425 2.677 0 1 FFAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCO 2480337 FPUHPIUJGPLBND-UHFFFAOYSA-N 356.353 2.878 0 1 FFAF CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 6875723 VEATZCPCKDHZHU-IRXDYDNUSA-N 358.463 2.811 0 1 FFAF CO[C@@H]1CC[C@@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@H](NCCN)CC[C@@H]4[C@H]3CC[C@@H]2C1 59901702 FFSMUXROXURAGP-ADKLPYKUSA-N 364.574 2.932 0 1 FFAF aggregator COCc1nn2c(O)cc([C@@H]3CNC(=O)C3)nc2c1-c1ccc(Cl)cc1 103525096 UVDZYGGVEXEOCV-NSHDSACASA-N 372.812 2.505 0 1 FFAF CCCC(=O)N1CCC[C@H](c2cc(C(=O)NCc3cccnc3)no2)C1 61896521 ITVNTNCUBNKKMU-HNNXBMFYSA-N 356.426 2.506 0 3 FFAF C[C@@H](CN(C)C)NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 219758415 GPJKMDIMPWQWHA-NSHDSACASA-N 356.405 2.836 0 1 FFAF COc1ccc2c(c1CC(=O)C(C)C)O[C@H]1c3ccc(O)cc3OC[C@]21O 15203504 AFOCANOUHLXZSA-SFTDATJTSA-N 370.401 2.882 0 1 FFAF biogenic CN1CCN(c2cc(NCc3ccc(C(C)(C)C)cc3)nc(N)n2)CC1 45391818 UBBAYPBOESVVOU-UHFFFAOYSA-N 354.502 2.720 0 1 FFAF C[C@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588093 RVOKPILRRYPBMP-HNAYVOBHSA-N 367.313 2.955 0 1 FFAF C[C@H](CCc1nc2cc(I)cnc2[nH]1)CC(=O)O 587962345 DYZRDNAYPPUKOB-SSDOTTSWSA-N 359.167 2.606 0 1 FFAF CCOc1n[nH]c(-c2nc3cccc(C(=O)O)c3[nH]2)c1Br 586980192 QKVLHUWGQHXZRB-UHFFFAOYSA-N 351.160 2.812 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)N1 962953401 RBHZEDWAALJGGM-KXDUDWCXSA-N 370.449 2.660 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCNC3)c2cn1)c1ccccc1 1772628600 NZLYPZYITRAUGE-TZMCWYRMSA-N 365.441 2.614 0 1 FFAF COc1ccc(-n2nc3c4ccc(Br)cc4[nH]cc-3c2=O)cn1 1772631934 RGBJSSXCBJNCNE-UHFFFAOYSA-N 371.194 2.985 0 1 FFAF COc1ccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)cc1 1772610356 RRVMBHCYWRCJFL-UHFFFAOYSA-N 356.407 2.543 0 1 FFAF COc1cccc(CC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 12297296 RRMBGXFIPAMEML-MRXNPFEDSA-N 372.852 2.808 0 1 FFAF CC(=O)OCC[S@@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584847 ZUHFHBFMBYNBLT-YAEBDLLGSA-N 357.903 2.687 0 1 FFAF O=C(c1cc(C(F)(F)F)no1)N1CCO[C@H](c2cc3ncccc3[nH]2)C1 1857606803 LEIMWPHCQNXKKM-ZDUSSCGKSA-N 366.299 2.783 0 1 FFAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(CCc2ccccn2)CC1 1857769651 WXLDOKORPWZOQT-UHFFFAOYSA-N 374.462 2.844 0 1 FFAF O=c1c2ccccc2n2c(CN3CCCC3)nnc2n1Cc1ccccc1 28648708 OCTNZVQIJSHRMQ-UHFFFAOYSA-N 359.433 2.688 0 1 FFAF Cc1cc2cc(Nc3ncnn4cc(OC[C@@H](C)O)c(C)c34)cnc2[nH]1 29048194 UFHZPQUCRBIJFF-LLVKDONJSA-N 352.398 2.726 0 1 FFAF CO[C@@H]1C[C@]2(CC[C@]3(C)[C@@H]4CC[C@H]5C[C@@]4(CC[C@@H]23)C[C@]5(O)CO)C(=O)O1 2356555096 JGJQQOVNDDCZBN-LJUVLZPASA-N 364.482 2.632 0 1 FFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC(=O)C(CCO)=C(C)[C@@H]3CC[C@]12O 15107742 FMXLUDDVSRJLED-WRYXKVSWSA-N 364.482 2.785 0 1 FFAF biogenic Cc1cc(C)c2occ(/C=C3/SC(=O)N(CC(=O)O)C3=O)c(=O)c2c1 40915671 IGRXEPOQZOERHM-LFYBBSHMSA-N 359.359 2.531 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CC(F)(F)F 95600931 UFWFQEFONBLITG-OAHLLOKOSA-N 353.348 2.679 0 3 FFAF CCCc1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 142229576 QYCRPOXJBLWIBK-AWEZNQCLSA-N 354.454 2.894 0 1 FFAF COC(=O)C1=COC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]12 33832914 SDFSXHNINVZAOL-IOHHAYIISA-N 368.433 2.799 0 1 FFAF biogenic COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CCN3C[C@@H]2OC(C)=O 85730824 UIOSDHZVQOEUNC-NQERJWCQSA-N 371.433 2.734 0 1 FFAF biogenic COc1cc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](OC)[C@H]2O)ccc1O 85861866 IPCUWVNNQQKAPJ-YESZJQIVSA-N 362.378 2.600 0 1 FFAF biogenic Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1N[C@@H](C)c1ccc(F)cc1 299876375 FOQIGRVAEINJHF-DZGCQCFKSA-N 357.433 2.799 0 1 FFAF CN(C)CCN=c1nc(-c2[nH]c3ccccc3c2C=O)[nH]c2ccccc12 653754318 NGLQUGQUFURGCC-UHFFFAOYSA-N 359.433 2.986 0 1 FFAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ccnc2[nH]1 587111864 FBVIAMCOLYQAPA-MRXNPFEDSA-N 363.343 2.959 0 1 FFAF CC(C)OC(=O)C1(c2nc3c(S)nc(S)nc3[nH]2)CC(F)(F)C1 587131855 VOVJILSICCRBBO-UHFFFAOYSA-N 360.411 2.549 0 1 FFAF CN(C)C(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586967808 FUTSEVDDJWZXBI-UHFFFAOYSA-N 356.407 2.503 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 586939720 RYOVJZLNQPLFHA-LLVKDONJSA-N 360.439 2.710 0 1 FFAF CCOC(=O)COc1cccc([C@@H]2NCCc3nc4ccccn4c32)c1 962984676 FVBQPBCTWBAHCS-IBGZPJMESA-N 351.406 2.511 0 1 FFAF CN1CCN(S(=O)(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 224177671 NVUUIVKNLFQFMY-UHFFFAOYSA-N 357.479 2.932 0 1 FFAF CC1(C)OCCN(c2cccc(-c3cc(Cl)c4c(N)ncnn34)c2)C1=O 1772622287 QNKJDNOTCJIIQY-UHFFFAOYSA-N 371.828 2.774 0 1 FFAF C[C@H](N[C@@H](Cc1ccc2c(c1)oc1ccccc12)C(=O)O)P(=O)(O)O 13805060 AVUQOEJJLMBSNY-YGRLFVJLSA-N 363.306 2.695 0 1 FFAF COC(=O)c1ccc(C(=O)N2Cc3ccc(OC)cc3O[C@@H](C)C2)cc1 14957011 UTZIQERXDFMPFQ-ZDUSSCGKSA-N 355.390 2.905 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 169714762 OWIREDZRBAQIRS-NVXWUHKLSA-N 359.378 2.600 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@H]3N)cc3cnnc(O)c23)c1 1857555769 USOMMSHSFFBVGU-CVEARBPZSA-N 364.453 2.886 0 1 FFAF COC(=O)[C@@H](NC(=O)[C@H](C(C)C)n1sc2ccccc2c1=O)C(C)C 1857628187 BNEOGFIGSVJOHP-GJZGRUSLSA-N 364.467 2.574 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]21 100780427 OHMAVTDVTQMMMR-QJFAWNBFSA-N 350.411 2.714 0 1 FFAF endogenous,in-man O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2Cc3cccc(=O)n3[C@H](C2)C1 101448921 XUQYIHPJSZHBKB-JXUFBKJOSA-N 367.493 2.946 0 1 FFAF CC(=O)N1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1 66259395 AJPMXUOOPCCSFN-UHFFFAOYSA-N 372.816 2.832 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@@](C)(O)[C@@H]2CC[C@@]13O 2356594271 NOZRSQJXQYHBKF-MGEMXUTCSA-N 350.499 2.840 0 1 FFAF CC(C)(O)[C@@H]1Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3cc2[C@@H]1O 2356742610 LKYMSFJODNTXFB-RBUKOAKNSA-N 354.358 2.731 0 1 FFAF COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C 40918560 QFSNFUJAKMHZLM-ROUUACIJSA-N 369.465 2.671 0 1 FFAF C/C=C1/CN2[C@H](C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1C[C@H]2OC 238738667 YTVBFWHIYAUPOK-GRVYRJQBSA-N 368.433 2.689 0 1 FFAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2F)cs1 96916368 PRFSWPFDEMBFFY-SNVBAGLBSA-N 351.384 2.629 0 1 FFAF COC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3O)n2)cc1 653757082 KGDRVTOFTDMJOC-UHFFFAOYSA-N 352.346 2.764 0 1 FFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587151874 VCMYOHKFLVEBGQ-QMMMGPOBSA-N 353.350 2.629 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586920308 HTJDQSLOCMVEKX-UHFFFAOYSA-N 355.778 2.733 0 1 FFAF Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074754 XJDGBRPWDKUQJS-UHFFFAOYSA-N 373.829 2.616 0 1 FFAF Cc1cncc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586954749 GNRLOTRKNUDZLX-UHFFFAOYSA-N 362.842 2.981 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 587524709 LMNWZWCOSMGQEE-FBRVAALWSA-N 355.434 2.742 0 1 FFAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427356 DFTBOQIVWKBEHO-ZXNZOMRRSA-N 353.418 2.955 0 1 FFAF COc1cccc([C@H](O)CNC2CCN(Cc3ccccc3)CC2)c1OC 13779922 DDKCQCRIRIGWFA-HXUWFJFHSA-N 370.493 2.991 0 1 FFAF O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(CCCc2ccccc2)C1 15674442 OLSAHLLCUASSTF-MSOLQXFVSA-N 350.422 2.872 0 1 FFAF biogenic Cc1cc2ccccc2n1CCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C 169351812 JIWKHQVNODWESS-UHFFFAOYSA-N 362.433 2.570 0 1 FFAF C[C@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@H](O)[C@@]2(C)O)[C@]1(C)CC[C@@H](C)CC(=O)O 169675831 VRPNZVDXTVMWKI-AZUZGUKDSA-N 356.503 2.813 0 1 FFAF Clc1ncnc2c1ncn2Cc1cn(-c2ccnc3ccccc23)nn1 1857549658 OFYZOUPVQDXWMY-UHFFFAOYSA-N 362.784 2.657 0 1 FFAF COCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C#N)C1 1857555487 IEVPIDPBYIXIQS-CQSZACIVSA-N 356.348 2.741 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccccc2)C1 767179 ALCHWCWPKGFQHT-MGPUTAFESA-N 373.453 2.553 0 1 FFAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 767232 GRKZBLUGOWQHPA-IEBWSBKVSA-N 352.434 2.913 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 2488099 FPCLYQYSMOWVEC-QGZVFWFLSA-N 373.497 2.593 0 1 FFAF O=C([C@@H]1CSCN1C(=O)C[C@@H]1CCc2sccc2C1)N1CCCC1 3778242 ABFUMNXGFNTJGI-HIFRSBDPSA-N 364.536 2.767 0 1 FFAF COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccccc2)c2occc12 64516734 RTRHAGMPHPEYJN-UHFFFAOYSA-N 363.347 2.646 0 1 FFAF COCCCNC(=O)CSc1nnc2scc(-c3ccccc3)n12 22336018 KNUZMWBQJDBMLW-UHFFFAOYSA-N 362.480 2.703 0 3 FFAF CC[C@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC3=O 2356554500 QGCCNDHQOLDQGR-ZWXCTCQWSA-N 352.434 2.782 0 1 FFAF C[C@@H](C[C@@H](C)[C@@H](O)[C@H](C)C=CC(=O)O)[C@H](O)CC(=O)c1ccc(N)cc1 2356637163 JELLOIMREUHSKD-BTGQOJLISA-N 363.454 2.503 0 1 FFAF COc1ccc2cc(C(=O)C[C@H](C)NCCCC[C@H](N)C(=O)O)ccc2c1 66157030 ITVGWHAQSRRMIM-LIRRHRJNSA-N 372.465 2.982 0 1 FFAF in-vitro CCCCOC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)O 2356710273 WWWKWKCNXDSZKV-BCYZHJNNSA-N 364.523 2.804 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@@H]([C@H](O)CO)OC2 36381859 IVJQHPFJFSRCHY-ACARUREPSA-N 356.418 2.753 0 3 FFAF COCCN1C(=O)COCc2cc(-c3ccc(OC)c(OC)c3)ccc21 74375207 JSXJUNPWIHHOFG-UHFFFAOYSA-N 357.406 2.880 0 3 FFAF COc1cc2c(cc1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C 14639516 QXYCMLRBKSSDAI-CYBMUJFWSA-N 357.406 2.876 0 1 FFAF biogenic CN(C)CCN1C(=O)c2cccc3c(N4CCSCC4)ccc(c23)C1=O 45255389 JUQQMBPMBUXBBI-UHFFFAOYSA-N 369.490 2.551 0 1 FFAF CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21 49067332 DOGYUXXGMZAOPV-UHFFFAOYSA-N 372.513 2.622 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 85953960 KQRXQIPRDKVZPW-HBCXDPBJSA-N 370.357 2.925 0 1 FFAF in-man O=C(N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283282 VVJJUPZCIIMXIW-MFCSDITOSA-N 352.482 2.588 0 1 FFAF C[C@@H]1CCc2cc(C(=O)N(C)C)ccc2N1C(=O)c1ccc(O)cc1O 653669360 LWPVJGVLNMPBPK-GFCCVEGCSA-N 354.406 2.781 0 1 FFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 587788073 ZVOPAHLMVNMFDG-HUUCEWRRSA-N 370.430 2.910 0 1 FFAF C[C@@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589501 XFKTZDICACTGQK-XLIONFOSSA-N 374.356 2.707 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1nc[nH]n1)CC2=O 587485295 RTFOPSUCUCIFNM-LJQANCHMSA-N 350.378 2.767 0 1 FFAF COC(=O)[C@@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442728 LDHQLQGCHNJHJA-IERDGZPVSA-N 352.386 2.987 0 1 FFAF O=c1c(-c2nc3c(O)ncnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172235 DOPMRMDMCHZFDR-UHFFFAOYSA-N 355.304 2.654 0 1 FFAF CCOC(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586968787 QNIRHNDOIPPEIW-UHFFFAOYSA-N 357.391 2.978 0 1 FFAF COc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1 5034667 YBPAAKQGXZXUPQ-UHFFFAOYSA-N 373.434 2.528 0 3 FFAF CN1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O 12075626 FMXYJXWFDOJFQQ-LJQANCHMSA-N 358.873 2.970 0 1 FFAF CC[C@]12CCC(=O)N3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 14620286 OQLYVMALDCKIQD-PCCBWWKXSA-N 352.434 2.972 0 1 FFAF biogenic CNC(=O)c1cc(Cl)c(Nc2ncc(Cl)c(NC)n2)cc1OC 169705088 UMVRTIPDIBBKTR-UHFFFAOYSA-N 356.213 2.937 0 1 FFAF CCOc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NCc2cccnc2)cc1 4789755 WAWUUUORWHLWHY-OAQYLSRUSA-N 367.449 2.678 0 3 FFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289203 RGSGFNKWHNQFME-NMLBUPMWSA-N 369.509 2.680 0 1 FFAF CC[C@@H](C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100808417 MCGFTDIDSXDGDC-KBMXLJTQSA-N 356.470 2.957 0 1 FFAF COc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(C(=O)O)cc2)COC1 2356322055 RIWULFWKKMHOES-OAHLLOKOSA-N 367.405 2.604 0 1 FFAF O=C([C@@H](O)c1ccc(Cl)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1 28891541 SXIQBPDOSGYNFP-SFHVURJKSA-N 370.840 2.599 0 1 FFAF C=C=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356672395 IBSJROLODHILHS-LNLFQRSKSA-N 352.434 2.580 0 1 FFAF COC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)C=Cc1ccc(OC)cc1 2356678816 UYBDSERUMXMVGO-LJQANCHMSA-N 369.417 2.618 0 1 FFAF Cc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1O)OCO3)CO2 13485151 RJAHLRAHCUGZCD-NSHDSACASA-N 358.346 2.583 0 1 FFAF biogenic CC(C)(O)[C@@H]1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1 13864656 FEZXFNWSKGIOKM-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccccn2)C(=O)O1 40894752 AQBGEPKQGPTWMX-MBNYPGIVSA-N 361.438 2.903 0 1 FFAF O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84618422 QGQFPWJGVUZELF-UHFFFAOYSA-N 351.771 2.991 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3CC[C@H]2C3)cc1F 261141655 NEYKVBZVQYCLPF-MWODSPESSA-N 361.822 2.736 0 1 FFAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 618016995 DGPYHUBZHJLEGP-SECBINFHSA-N 366.336 2.578 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CC(C(=O)O)C4)cc1)[C@@H](C2)C3=O 587437973 MLGJKARZSOTDNM-JXFKEZNVSA-N 365.385 2.705 0 1 FFAF CCc1cc2c(O)nc(O)nc2nc1-c1cc2cccc(OC)c2oc1=O 587563754 WVZZJYIZSITCED-UHFFFAOYSA-N 365.345 2.780 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 587229912 DKEOMMUGQHXHIS-UONOGXRCSA-N 361.442 2.617 0 1 FFAF CC1=C(c2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586906837 ROKVUMSSZBGJCJ-YVLHZVERSA-N 372.384 2.987 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587259911 OYQJQNKJBDZJDX-LBPRGKRZSA-N 374.832 2.664 0 1 FFAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 586915107 AWIGUMAWAFYRMC-FOIQADDNSA-N 374.404 2.755 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 587400513 QICIGTQIWQOBEN-SLSDUTBNSA-N 374.437 2.547 0 1 FFAF C[C@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582758 QUMINLAUTLIHOT-QFBILLFUSA-N 351.362 2.794 0 1 FFAF N=c1[nH]c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc-2c(Cl)[nH]1 587120484 KZNOEXXLZGHWAW-UHFFFAOYSA-N 371.632 2.798 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cnn(C)c1)CC2=O 587477770 UUGTVOGOILSQSC-IBGZPJMESA-N 358.394 2.502 0 1 FFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963126955 YDHOKZGYQZOZIS-USXIJHARSA-N 355.265 2.838 0 1 FFAF CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2cccc(C)c21 1772630105 DVSOTLUEKKFPOV-UHFFFAOYSA-N 359.470 2.577 0 1 FFAF CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 13780043 WEUWRQVKQNNAEK-INDMIFKZSA-N 366.502 2.757 0 1 FFAF C[C@H](O)[C@@H](CCc1cccc(C(F)(F)F)c1)n1ncc2c(N)ncnc21 1857644636 PJBCYKBJLRFQTH-IINYFYTJSA-N 365.359 2.982 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356372164 ZKKZNKBDLLISQC-DOTOQJQBSA-N 356.401 2.706 0 1 FFAF CCN(CC)CC(=O)N[C@@H]1c2cc(OC)ccc2OCc2ncccc21 26830995 WPFOKSDUXZHRMO-FQEVSTJZSA-N 355.438 2.530 0 1 FFAF CNC(=O)Nc1c(OCCNC(C)C)c(OC)c2occc2c1OC 29405504 JXQXTXXOXJWURE-UHFFFAOYSA-N 351.403 2.578 0 1 FFAF O=C(O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)NCCCO 26509041 QAZJFVWJXZJTMB-PMACEKPBSA-N 369.461 2.678 0 1 FFAF COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(Cl)cc2n1 28817383 GIAPMXUIVAVKSV-GJZGRUSLSA-N 352.818 2.965 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@@H]2C[C@H]2COC(=O)[C@]21O 2356646912 TVGJRQSGUWVHFC-BXPBMFLPSA-N 358.390 2.534 0 1 FFAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356776688 JHBBZIAPXDEPET-CMUDHUDESA-N 350.499 2.537 0 1 FFAF COc1cc2c3c(c1OC)-c1cc(NC(N)=O)ccc1C[C@@H]3N(C)CC2 1911575757 XFXOSXWPTSUGSF-HNNXBMFYSA-N 353.422 2.947 0 1 FFAF Cc1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(C)n1 45358336 QWRCHMJZHYJAFF-UHFFFAOYSA-N 363.377 2.943 0 1 FFAF O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 195459693 LHQSXNQSQNPTRT-XYVMCAHJSA-N 368.433 2.774 0 1 FFAF Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 263590372 VQGVUJRERCSHCA-HOTGVXAUSA-N 360.410 2.558 0 3 FFAF COc1cccc(CN2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)c1 299841766 GEWQKXVIZVPRKI-GHTZIAJQSA-N 354.450 2.755 0 1 FFAF CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCc1ccc(Cl)cc1 299852015 LZZXVCPPEDVRBU-IBGZPJMESA-N 371.824 2.565 0 1 FFAF CCCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 653776566 OJSUWVFIOHAVRZ-OAHLLOKOSA-N 360.479 2.827 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)o1 586931210 NVZWXYFTKHXCNM-UHFFFAOYSA-N 361.210 2.775 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ncnc3[nH]2)CCC(O)CC1 587236959 IJHYXSIRGYZQLR-UHFFFAOYSA-N 367.837 2.661 0 1 FFAF C[C@@H](F)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587123891 KSAKOWKBHCBNJY-WUJLRWPWSA-N 354.554 2.574 0 1 FFAF COC(=O)c1ccc2nc(-c3sc(Br)nc3C)[nH]c2n1 587011176 LRZYTXCROJKTPW-UHFFFAOYSA-N 353.201 2.939 0 1 FFAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cncnc3[nH]2)c1 587155809 HPEOPBULTKKPQC-UHFFFAOYSA-N 369.381 2.960 0 1 FFAF Nc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccn1 962709744 RLYCRYHEBKAAOR-JSGCOSHPSA-N 355.291 2.510 0 1 FFAF O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(C2CCOCC2)C1 15065507 OQSBVBNENOAZQE-INIZCTEOSA-N 354.454 2.906 0 1 FFAF CCN(CC)CCC(=O)N[C@H]1C(=O)CC[C@@]2(C)c3cc(C)ccc3O[C@@H]12 169316355 QGEPPWQGFCTMBY-ACRUOGEOSA-N 358.482 2.593 0 1 FFAF O=c1nc(C(F)(F)F)ccn1C[C@H]1CN1Cc1cnc2ccccc2c1 169328804 OCIXRDJANHBWSZ-GQBYZMJGSA-N 360.339 2.695 0 1 FFAF c1cc2c(s1)CCOC21CCN(Cc2cnc3c(c2)OCCO3)CC1 1857766101 MEMZXKQZKDJZKN-UHFFFAOYSA-N 358.463 2.978 0 1 FFAF COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@H]1C(C)(C)CCC[C@@]12C 1764209 MTERRCUWEHAXPL-AXRMWEQJSA-N 362.466 2.893 0 1 FFAF CC[C@@H](C(=O)NC1CCCC1)n1c2ccccc2c2nc(=O)cc(C)n21 6794745 DVGTYMQTIPLDJU-INIZCTEOSA-N 352.438 2.968 0 3 FFAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)NCc1cc(F)cc(F)c1 2356303127 LVVOGMSPKOBOKW-SNVBAGLBSA-N 359.332 2.998 0 1 FFAF Fc1ccc(CCOc2cncc3nnc(C4CCOCC4)n23)cc1F 103302973 ROEPXHXLRPOTHS-UHFFFAOYSA-N 360.364 2.918 0 1 FFAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)c(Cl)c2)c1 29246706 YONBLNRYEPLGDQ-FNORWQNLSA-N 358.785 2.995 0 1 FFAF COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1 64744179 MQQLFCCVKCAWKZ-UHFFFAOYSA-N 366.425 2.711 0 1 FFAF in-vitro CC(=O)Nc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 36385588 RJYCPZFNCCFPJZ-OAQYLSRUSA-N 359.514 2.846 0 3 FFAF CO[C@@H]1O[C@H]2c3cc4c(cc3CCN[C@H]2c2ccc3c(c21)OCO3)OCO4 14686689 XXNNKVDBGXCFHP-CMKODMSKSA-N 369.373 2.747 0 1 FFAF biogenic CC(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@@H]4C[C@H]5CC(=O)[C@]4(C[C@H]3[C@@H]2C[C@H]1C)C(=O)O5 85640284 JOYRWDFJPHYGNB-XTHUBGHQSA-N 358.434 2.677 0 1 FFAF COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1CCOC2 95563774 NMKIYOGXGLKPNX-UHFFFAOYSA-N 354.472 2.572 0 1 FFAF OC1CC([C@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 230583826 WHLYMYUJLRPGNB-JFUPDXTOSA-N 351.537 2.872 0 1 FFAF O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12 96258420 VKRLDSMSRYWBJD-UHFFFAOYSA-N 366.440 2.817 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 587042938 NYGQEFNHFQUTCB-LURJTMIESA-N 355.514 2.550 0 1 FFAF COC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587441406 FGQFRXSNHRVJPU-NVAPDCRFSA-N 350.370 2.998 0 1 FFAF CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587568748 DENLEQBXSUUUAP-LPHOPBHVSA-N 363.373 2.951 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CC(=O)O)c1)[C@@H](C2)C3=O 587442740 LHPHGWUCXXFYRC-BTYIYWSLSA-N 368.385 2.994 0 1 FFAF CN1C(=O)C[C@H]2CN[C@H](c3c(Cl)nc(Cl)n3C)c3cccc1c32 963015198 AERUTHNQIMZWTI-SDBXPKJASA-N 351.237 2.870 0 1 FFAF O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)NC1CCCC1 145060071 GUMBCVCIBFFMBH-UHFFFAOYSA-N 371.489 2.766 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H](C)O)ncc12 1772588148 SXASAANWPOWYCJ-QLJPJBMISA-N 373.388 2.739 0 1 FFAF Cc1nc([C@H]2CCCO2)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12 169711711 FDOIPELBXCCADB-OAHLLOKOSA-N 366.425 2.712 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)[C@H](C)N=O 169713209 NDPJNYXVIMENNG-NWDGAFQWSA-N 370.881 2.916 0 1 FFAF N[C@@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205244916 RDFCHPVWLJDNIJ-CQSZACIVSA-N 357.421 2.619 0 1 FFAF Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 904786 VCOPZVICOMXEPO-UHFFFAOYSA-N 373.438 2.730 0 3 FFAF aggregator CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356298589 MOTGDGKGLSJPSP-NSISKUIASA-N 367.497 2.970 0 1 FFAF O=C(O)CCCNC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2 28754700 LUILGBSAWABNTA-UHFFFAOYSA-N 359.470 2.839 0 1 FFAF COc1ccc(-c2nnc3c4ccccc4c(N(C)C[C@@H](C)O)nn23)cc1 33891495 VADKWPFFHZWTCM-CYBMUJFWSA-N 363.421 2.770 0 1 FFAF CCOC(=O)COn1c(C)[n+]([O-])c2cc(/C=C/c3ccccc3)ccc21 40565995 GTJFPBUNIXTTLC-MDZDMXLPSA-N 352.390 2.745 0 1 FFAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccccn2)C(=O)O1 40394621 AQBGEPKQGPTWMX-VZEGMYIASA-N 361.438 2.903 0 1 FFAF C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 143539939 KNOYIRAECGPNAK-ROWGDZKMSA-N 364.482 2.556 0 1 FFAF COc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c1O 238771924 IHMQIKPRZVLXSH-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF Nc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1C(=O)O 587248028 ADPYGHZRVXTRTK-UHFFFAOYSA-N 351.135 2.807 0 1 FFAF Cn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N 587582594 QCFRBDJIWDZUJZ-HNAYVOBHSA-N 351.362 2.585 0 1 FFAF NC(=O)c1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006270 CDVREMYSNLTADI-UHFFFAOYSA-N 356.183 2.968 0 1 FFAF Cc1ccnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 587024671 DRKXQNVESBEFPS-UHFFFAOYSA-N 365.422 2.751 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@H]1C(=O)OCC)CC2=O 587480784 WGUMZAYPKYODQB-MGPUTAFESA-N 361.438 2.564 0 1 FFAF O=C(c1cnn(-c2ccccc2)c1)n1ncc2ccc(Cl)cc2c1=O 587652291 BJNZAVLRBJMXSE-UHFFFAOYSA-N 350.765 2.924 0 1 FFAF [O-][n+]1ccccc1SCc1nc2c(F)cnc(Br)c2[nH]1 586968553 AACYBBLUVXYECE-UHFFFAOYSA-N 355.192 2.785 0 1 FFAF Cc1cccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)n1 11882275 WOEXLKVXQMBNDL-HNNXBMFYSA-N 364.380 2.720 0 1 FFAF CC(C)NC(=O)C[S@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584884 TVJWNQXHBUULSP-NZEOALSQSA-N 370.946 2.649 0 1 FFAF Oc1ccc(N2CCN(c3cc(O)n(-c4ccccc4)c3O)CC2)cc1 169719109 YIAYJWOHRNVYRN-UHFFFAOYSA-N 351.406 2.921 0 1 FFAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccccc2F)nn1 203462697 WMQUCQMNQMZKQZ-UHFFFAOYSA-N 354.385 2.934 0 3 FFAF C[C@H]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C 6873938 DWYLAAXYCBPMLV-HOSYDEDBSA-N 372.874 2.774 0 1 FFAF COc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCCCC3)cc1OC 6932983 VNQMCUYPYDXUQE-UHFFFAOYSA-N 359.422 2.896 0 1 FFAF CCOCCCNC(=O)CN1C(=O)c2cccnc2Sc2ccccc21 8605766 ZMXKKCGQQDXXPD-UHFFFAOYSA-N 371.462 2.736 0 1 FFAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccccc12 26568896 QZIFDEQGLULDTB-SFHVURJKSA-N 364.401 2.641 0 1 FFAF O=C(C=Cc1ccccc1)OCC(O)COC(=O)C=Cc1ccccc1 2356520695 WJAOMUJLXZIEEN-UHFFFAOYSA-N 352.386 2.861 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356589877 VZYQBRRUDRSHTA-MAUKXSAKSA-N 369.396 2.951 0 1 FFAF Cc1ccc(-n2nc3c4cc(Br)ccc4nc(O)n3c2=O)cc1 66252334 PWXOVBUCLZPWIX-UHFFFAOYSA-N 371.194 2.810 0 1 FFAF COc1cc(CCCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 15169050 DCZADIFTWXUYRT-HNAYVOBHSA-N 358.390 2.558 0 1 FFAF biogenic C[C@@H](CO)NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224747463 XTVUSIOHKREFDK-LBPRGKRZSA-N 366.396 2.643 0 1 FFAF CN(CCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 45167799 KJHPYVUHYIHUDY-UHFFFAOYSA-N 354.454 2.670 0 1 FFAF CN(c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)S(C)(=O)=O 224807161 GNQNJLHHXMIEQQ-UHFFFAOYSA-N 372.425 2.928 0 1 FFAF COc1ccc2c(c1OC)CC(=O)c1cc3c(cc1CCN(C)C2)OCO3 85738291 NRUCKXSOLUNHPH-UHFFFAOYSA-N 369.417 2.846 0 1 FFAF biogenic,in-vitro C[C@@](CO)(Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 84154579 RGVFPSRGEDEIBA-KKSFZXQISA-N 372.417 2.536 0 1 FFAF biogenic,in-vitro COC(=O)C1=CNC=C([C@H](C)O)[C@H]1Cc1nccc2c1[nH]c1ccccc12 86020425 LRVNKWMVNDXIIY-SWLSCSKDSA-N 363.417 2.800 0 1 FFAF biogenic CCOC(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 587777835 ZZPKWOLBFIBQQR-UHFFFAOYSA-N 363.009 2.589 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H](C(=O)O)NC[C@@H]1C3 587106283 KQSYCHOEYSYTII-OCMWWKOBSA-N 370.408 2.834 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)C2)N1 587844726 OWDAUFCRIDPDPH-LKFCYVNXSA-N 362.264 2.526 0 1 FFAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)CCCC2 587560139 CJLPLWXAURDNJD-UHFFFAOYSA-N 351.362 2.609 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795352 IOMMLQHKPRRVQE-ABKXIKBNSA-N 372.234 2.860 0 1 FFAF COC(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1OC 586908731 ULZHHMWUBCKPSA-SNVBAGLBSA-N 354.362 2.939 0 1 FFAF O=C(CCCCC(=O)OC[C@H]1CC[C@H]2O[C@@H]2C1)OC[C@H]1CC[C@H]2O[C@H]2C1 100049389 DJUWPHRCMMMSCV-PVWHLQNVSA-N 366.454 2.768 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@](Cn3ccnc3)(c3ccccc3)c3cccc1c32 963040016 ZXUMYJJROKDHTP-OPAMFIHVSA-N 358.445 2.880 0 1 FFAF CC(C)n1cnc2c(NCc3ccccc3)nc(N3CC[C@@H](O)C3)nc21 13834598 QAZLAITVCWIMJF-OAHLLOKOSA-N 352.442 2.590 0 1 FFAF Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2cccs2)cc1 15935829 ITVDLDCWTKXPOR-CHWSQXEVSA-N 352.481 2.601 0 3 FFAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccccc1N 771731 OLVVKRPUUKBGLU-FQEVSTJZSA-N 353.422 2.725 0 1 FFAF O=C1c2c(O)cc3c(c2OC[C@@H]1c1cc2c(cc1O)OCO2)C=CCO3 2356341737 VOVHREMWWAHOBO-LLVKDONJSA-N 354.314 2.591 0 1 FFAF CC[C@@H]1C[C@H]2N3CC[C@]4(O)C(=Nc5ccccc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356412415 PEZABKYVKVIQFY-TZLSGQIUSA-N 354.450 2.644 0 1 FFAF COc1cc(OC)nc(Oc2ccc(Br)cc2C(=O)O)n1 103190545 VBQMYESVCNAXKQ-UHFFFAOYSA-N 355.144 2.747 0 1 FFAF c1cc([C@H]2OC[C@H]3OCCC[C@H]3O2)ccc1[C@H]1OC[C@H]2OCCC[C@H]2O1 28886052 ZSYUVZFVVBSESA-YRYYUTHUSA-N 362.422 2.873 0 1 FFAF CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(=O)O)c2n1 66101584 QEMSVPJFSMMHSS-UHFFFAOYSA-N 362.478 2.995 0 1 FFAF CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 61908927 JIJAAJFMDWPMPJ-GFCCVEGCSA-N 358.360 2.964 0 3 FFAF CCOC(=O)[C@H]1CCCN(C(=O)c2cncc(Br)c2)CC1 61898198 LYXSJTVDAHAWEE-NSHDSACASA-N 355.232 2.650 0 3 FFAF C[C@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@@H]1n1ccnc1 27408320 SFBRKLVWZJVGLP-RDDDGLTNSA-N 351.156 2.549 0 1 FFAF COc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40936378 ZEOUTVYYOAHJLX-UHFFFAOYSA-N 350.382 2.630 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1cccnc1 95569765 RTRWTCMYJYSZCH-HXUWFJFHSA-N 362.437 2.712 0 3 FFAF C/C=C1\CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1Cc1nccc3c4ccccc4n2c13 238768872 HPBUEEAIZGVXAY-YSBOQWROSA-N 364.401 2.525 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@H]([C@](O)(CO)[C@@H](O)CO)C[C@@H]12 473096140 YYLNWEORJBWPMV-PPZLUTABSA-N 354.531 2.722 0 1 FFAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1 299853112 FYCNMUUDXCHKNR-OAHLLOKOSA-N 369.402 2.742 0 1 FFAF COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587585948 IXSHVCDMANNAFQ-MAUKXSAKSA-N 350.330 2.894 0 1 FFAF CCOP(=O)(CCC[C@H](O)CNc1cc(Cl)nc(N)n1)OCC 5838777 MZOMXNMWTHRVCH-JTQLQIEISA-N 366.786 2.531 0 1 FFAF CC(C)CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 5857378 QSPUODWHQMJTCS-YYAJDYIMSA-N 361.463 2.619 0 1 FFAF CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)[nH]n2c1=O 12725909 RYNCBEIVXVSRTJ-UHFFFAOYSA-N 364.814 2.540 0 3 FFAF CCCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCCC2 1857599425 YXCOXEMAOQIONB-UHFFFAOYSA-N 365.499 2.973 0 1 FFAF O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)NC[C@H]1CCCO1 4251267 VRLVZIJOFFADRB-OAHLLOKOSA-N 368.462 2.784 0 3 FFAF O=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NC1CCCC1 4964748 VBOGLJPDFYPAEO-UHFFFAOYSA-N 364.858 2.897 0 3 FFAF C[C@@H]1c2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C(=O)N1C 103231571 VLKCCKQSDNGREY-MBBDXHFBSA-N 369.471 2.907 0 1 FFAF COc1cc([C@@H]2OC[C@H]3[C@@H]2C(=O)O[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356518215 JOVBAVJQHJYOID-TUCQFJRYSA-N 372.373 2.717 0 1 FFAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ncccc21 61921469 BWVQORVRMBWHOK-SFHVURJKSA-N 368.396 2.808 0 3 FFAF Nc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 40914132 YCMBHNGPEVEVOO-NHCUHLMSSA-N 350.462 2.692 0 1 FFAF Cn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1 225686994 XNRRBPGMIAMEFW-UHFFFAOYSA-N 360.421 2.862 0 1 FFAF CCCCNC(=O)[C@@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397959 DAEIOGYYGFMKJX-JOCHJYFZSA-N 371.525 2.948 0 3 FFAF CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1ccccc1F 40979219 KUKYHHAKWBMRNG-LLVKDONJSA-N 364.377 2.614 0 1 FFAF C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 40424016 CBSPCOZAOKRXRY-YUNKPMOVSA-N 366.371 2.730 0 1 FFAF Cc1nc2ccnc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 222341270 UAQJGBPGZKYVKD-UHFFFAOYSA-N 350.426 2.825 0 1 FFAF OCc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169008 VBOLQCCNSRBPEH-UHFFFAOYSA-N 369.465 2.911 0 1 FFAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95794715 WBEDKPBPLNSMOM-TZIWHRDSSA-N 368.452 2.777 0 1 FFAF CNC(=O)c1cn(Cc2ccc(OC)cc2)c2c(F)ccc(F)c2c1=O 96906842 PKCGYCBGJRKVSE-UHFFFAOYSA-N 358.344 2.696 0 1 FFAF Cc1cc(-c2nc3nccc(N)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123287 CUGGOLFHQFDXPF-UHFFFAOYSA-N 371.344 2.777 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586921020 VGUKBESGOHVNMI-UHFFFAOYSA-N 374.418 2.707 0 1 FFAF CCOC(=O)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352347 WZQITBWWPXEYHC-JXFKEZNVSA-N 372.348 2.781 0 1 FFAF COCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593916 FWOVEGYFAAJZIL-YLJYHZDGSA-N 372.373 2.692 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(C(O)O)CC2=O 587482960 SQSZXZLQVLYMNB-FQEVSTJZSA-N 358.390 2.525 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCN(C[C@@H]4CCCO4)C[C@@H]1C)[C@@H](C2)C3=O 587437615 KLOZAGCTECZCKQ-DAJCZCSUSA-N 357.450 2.702 0 1 FFAF Cc1c(O)ccc2c1[C@](c1ccc(Cl)s1)([C@H](C)O)N[C@H](C(=O)O)C2 963551416 NOLUMRRQLHNGIK-LTHLMHMASA-N 367.854 2.639 0 1 FFAF Cc1c(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)ccc[n+]1[O-] 1772601249 NFUKLMJHYQPDNT-UHFFFAOYSA-N 359.432 2.803 0 1 FFAF O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCCCCC1 5135395 WKBVVEHOYGWRFB-UHFFFAOYSA-N 359.499 2.948 0 1 FFAF Cc1ncoc1C(=O)NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 12247314 HSNLGYCJBAJQMS-HNNXBMFYSA-N 353.353 2.918 0 1 FFAF CC(C)(C)SC(=O)C[C@@H]1NS(=O)(=O)OC[C@@H]1Cc1ccccc1 12472497 ASMGDVCRGGCZJF-KBPBESRZSA-N 357.497 2.527 0 3 FFAF O=C(NCc1ccccn1)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 13829185 NQIIKGKETXFCHS-AKOROQJMSA-N 358.360 2.508 0 3 FFAF O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)NCc1ccccc1 201475355 SJHFRLBYYHOIQM-UHFFFAOYSA-N 370.472 2.837 0 3 FFAF CCOC(=O)CCC(=O)Nc1cc(Nc2cc(OC)ccc2OC)ncn1 1857770055 QHDPKKVTQBAFMI-UHFFFAOYSA-N 374.397 2.519 0 1 FFAF CN(C)CCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 1532995 OLIZFKQQLAJDBF-UHFFFAOYSA-N 371.872 2.820 0 1 FFAF Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(S)cc1Cl 1642340 SGQVCISIURHRNX-UHFFFAOYSA-N 354.844 2.781 0 1 FFAF O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)n1cccc1CO 1644146 FLSHQBKIXVUISS-IBGZPJMESA-N 374.396 2.528 0 1 FFAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccccc1 2483084 JKROOJNILQVNGK-UHFFFAOYSA-N 370.380 2.886 0 1 FFAF C[C@H]1C[C@H](C)CN(C(=O)CCCn2ncn3c(cc4occc43)c2=O)C1 6807593 YSEQOSOXEAWEBV-KBPBESRZSA-N 356.426 2.527 0 1 FFAF Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)oc2c1 21020812 GJNYRTLBMRNKEH-UHFFFAOYSA-N 371.462 2.643 0 1 FFAF CO[C@H]1O[C@@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 34582186 XXNNKVDBGXCFHP-GGPKGHCWSA-N 369.373 2.747 0 1 FFAF biogenic,in-vitro COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccccc3)[C@@H]1C2 72184190 DGYQFSRCYSJUTM-RDTXWAMCSA-N 353.447 2.881 0 1 FFAF Cc1nc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 221281941 QSPKUGKRZFXZTA-MRXNPFEDSA-N 374.448 2.844 0 1 FFAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccco3)ccc2=O)CC1 25427186 DPZDOPOHPYVQHN-CVEARBPZSA-N 353.466 2.622 0 1 FFAF biogenic O=C(NC[C@H](O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 199392488 JVHGWFMQJSOZSH-AWEZNQCLSA-N 360.211 2.789 0 3 FFAF CN1C(=O)N(CC2CC2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565060 FPSMVDUHTVKGKB-AWEZNQCLSA-N 356.253 2.756 0 1 FFAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(CC2CC2)CC1 95865934 YXQVCGOYCKFFHW-SFHVURJKSA-N 369.509 2.567 0 1 FFAF C[C@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1C(=O)O 238767372 WYPBFWKSQCZTAI-ZLDMJSGGSA-N 352.390 2.617 0 1 FFAF CCN(CC)C(=O)COc1ccc(CC(=O)OC(C)C)c(F)c1OC 299820403 BGIFZGRYTWIOBZ-UHFFFAOYSA-N 355.406 2.576 0 1 FFAF CO[C@H]1CN(C(=O)Cc2cccs2)CCC(=O)N(C)c2ccccc21 299852055 MQVMHUYQVIQTNB-KRWDZBQOSA-N 358.463 2.873 0 1 FFAF COc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(OC)c1OC 587652700 ZQVAOHYEZZDNEW-UHFFFAOYSA-N 374.780 2.764 0 1 FFAF CCOC(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436591 RULLMACAHGHDPV-FOIQADDNSA-N 353.374 2.686 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1C(=O)O)[C@@H](C2)C3=O 587441849 HXUXCTQLPBSUPI-KPZWWZAWSA-N 370.357 2.899 0 1 FFAF Cc1oc2c(c1-c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)C(=O)CCC2 586902907 CUHWVOPPAGANLH-UHFFFAOYSA-N 373.434 2.901 0 1 FFAF O=C(c1cccnn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657135 WGUBVSFHALUSFR-UHFFFAOYSA-N 364.311 2.820 0 1 FFAF CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1C(=O)C(=O)c2ccccc21 206050841 VHWBZFRMUVYJDH-KRWDZBQOSA-N 361.405 2.648 0 3 FFAF O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1ccccc1 205736672 ZETMOAGOQXDKOL-UHFFFAOYSA-N 374.447 2.869 0 1 FFAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774854 WWFASAWUBLUQCQ-CYBMUJFWSA-N 372.808 2.745 0 1 FFAF CC(C)[C@]1(O)C=C[C@](C)(O)CCC(=O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356465098 ZRSVCIGMOMWILW-VAMGGRTRSA-N 350.455 2.846 0 1 FFAF CC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccc(C)o1 7992816 CGAHPFCTXOXDBU-VFNWGFHPSA-N 352.434 2.993 0 1 FFAF NCCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27867752 WJRRNCUZSOIRET-IAGOWNOFSA-N 366.417 2.689 0 1 FFAF COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@@]3(C)O2)ccc1-c1cnco1 101447154 YAEJSSQGTYFDJH-WOUAJJJCSA-N 368.389 2.797 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC=CCC2)cc1F 216269562 NQLMFCJMQLGDPR-JTQLQIEISA-N 361.822 2.904 0 1 FFAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 82083935 LBUIKZMIGULBNK-GFCCVEGCSA-N 366.439 2.881 0 1 FFAF CNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 49035210 IFUHTYLFPBCCAD-UHFFFAOYSA-N 356.451 2.791 0 1 FFAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cn2)cn1 224802160 KJKLKPHZWJJCHC-UHFFFAOYSA-N 352.419 2.724 0 1 FFAF COc1ccc(C(=O)c2ccc(CN(C)CCN(C)C)cc2)cc1OC 40949372 VNQCVFGDGAJHND-UHFFFAOYSA-N 356.466 2.928 0 1 FFAF CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O 82152162 HAZFQOBHDUWTML-UHFFFAOYSA-N 356.470 2.728 0 1 FFAF COc1ccc(NC(=S)Nc2ccc3c(c2)S(=O)(=O)N=C3O)cc1 84635786 JKAJKTXCCPPTBN-UHFFFAOYSA-N 363.420 2.511 0 1 FFAF COC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@H]1C 84655368 LIBTYMCGVFQLCA-LBPRGKRZSA-N 372.421 2.787 0 1 FFAF COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1[C@@]21N=C(N)N(C)O1 141215668 IEYWHHBYAYMNOD-OAAAQFAESA-N 359.470 2.950 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@H]1[C@@H]2C(=O)OC 147208354 HZRZXZZTSRUSLH-CAEQFFDBSA-N 354.450 2.813 0 1 FFAF C[C@@H](O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147625078 BQYUENNAOOPWLR-GFCCVEGCSA-N 357.431 2.965 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CO)(c1ccc3c(c1)OCCO3)CC2=O 587494081 WXHTUMVHGBYVOH-OAQYLSRUSA-N 370.401 2.969 0 1 FFAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@H](C)C(=O)O 587517864 WKPWQMVTKBLARW-LRTDBIEQSA-N 369.417 2.879 0 1 FFAF Brc1c[nH]c2nc(C[C@H]3OCCc4ccsc43)nc-2n1 587037885 ZZVHWCUCJVXFAZ-MRVPVSSYSA-N 351.229 2.985 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C2 587247382 QNMPGXWZNPATKA-NRFANRHFSA-N 362.433 2.799 0 1 FFAF O=C1OC2(c3ccc(O)cc3Cc3cc(O)ccc32)c2cc3n[nH]nc3cc21 71789516 HUPWGDWSXLLSLD-UHFFFAOYSA-N 371.352 2.736 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(Cc1ccccc1F)C(=O)O 963605732 HEVLDXDEAROVFF-YUNKPMOVSA-N 359.397 2.900 0 1 FFAF C[C@@]1(C2CCN(CC(F)(F)F)CC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890012 AJNLFVSNKGHXNE-RDJZCZTQSA-N 374.378 2.914 0 1 FFAF COC(=O)[C@@H]1CC[C@@]2(CC1(C)C)NCCc1ccc(C(=O)N(C)C)cc12 962921710 DEPGXOKSTPGCIM-KKSFZXQISA-N 358.482 2.729 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(C=CN(C(=O)OC(C)(C)C)CC1)NCC2 962927418 QYQPKVKGNPJDCU-NRFANRHFSA-N 371.481 2.884 0 1 FFAF COc1ccccc1NCCC(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12600971 WVYFKIUQDUFWCQ-PMPSAXMXSA-N 362.470 2.981 0 1 FFAF Cc1ccc(-c2csc(-n3ncc(C(=O)NCCCO)c3C)n2)cc1 13602521 OHZVSGSQORTNAM-UHFFFAOYSA-N 356.451 2.725 0 1 FFAF NC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 13656413 UPEIICJDVPMDME-DOMZBBRYSA-N 359.344 2.694 0 3 FFAF C/C=C/Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839107 ZAFMHPQRCYVTLV-AATRIKPKSA-N 369.425 2.601 0 1 FFAF FC(F)(F)COc1ccnc(Nc2ccc([C@H]3CNCCO3)cc2)n1 150008081 MXBIQLDSLDFMSA-CYBMUJFWSA-N 354.332 2.822 0 1 FFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(Cc3nccs3)CCN21 2356434029 BOIZTJFTAKZDGK-QGZVFWFLSA-N 370.522 2.564 0 1 FFAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101282944 WSFPEOPUUJFNEF-CZYKHXBRSA-N 371.569 2.967 0 1 FFAF CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCCC3)cc1OCC2 116316008 ZPKQQRVJYJQHTB-UHFFFAOYSA-N 365.441 2.777 0 1 FFAF C[C@@H]1CCc2nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)nc(C(F)(F)F)c2C1 101078377 HNXFHWAPCAKKHP-FNJCTVFZSA-N 374.384 2.795 0 1 FFAF CCOC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72186281 PLQHZDFOKKJAIW-KRWDZBQOSA-N 360.845 2.994 0 1 FFAF COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@@H]32 14952936 IYKNWUYPIXSISZ-KDXIVRHGSA-N 370.493 2.963 0 1 FFAF biogenic N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@H](c5ccn[nH]5)C4)c23)c1 210759067 QYEXQVOFWXSVBI-KRWDZBQOSA-N 371.404 2.798 0 1 FFAF OC[C@@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84616144 QZLWXAZGLFTHHX-GUSKJMBLSA-N 363.542 2.983 0 1 FFAF C[C@@H]1CN(CC(=O)N2CCc3ccc(N(C)c4ccccc4)cc32)CCN1 143303872 JZZOPDMPDUWIQW-QGZVFWFLSA-N 364.493 2.637 0 1 FFAF COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1OC)OCO4)N(C)CC2 238747799 BAXRCWPTHNMMEU-NHCUHLMSSA-N 369.417 2.757 0 1 FFAF Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 263590352 TXBHFFCJEXRMKK-WBVHZDCISA-N 374.437 2.866 0 3 FFAF CCOC(=O)/C(=C/N(C)C)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431089 YRHJFEDDZUPFBE-AFGWHHTOSA-N 359.422 2.600 0 1 FFAF CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587568747 DENLEQBXSUUUAP-APWZRJJASA-N 363.373 2.951 0 1 FFAF COC(=O)c1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cn1 586917581 SYOYGPKHQHYWOW-XCLFUZPHSA-N 365.389 2.961 0 1 FFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnccc4[nH]3)c2)o1 586923238 GYJYBHVJNAXHJA-UHFFFAOYSA-N 369.406 2.544 0 1 FFAF O=C(c1csnn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662753 QHQCSKWOMMHPAX-UHFFFAOYSA-N 352.350 2.743 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-n3cccnc3=O)c2c1 587650765 CYBXGPQOLONODJ-UHFFFAOYSA-N 365.414 2.784 0 1 FFAF COc1ccc([C@H]2NCCc3cc4cccc(OC)c4nc32)c(OC)n1 963054409 IQPWPRPXTHOPBD-LJQANCHMSA-N 351.406 2.891 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@](C)(c2ccccc2)O1 13517469 SQPIZICZOGTLGX-UTKZUKDTSA-N 373.449 2.961 0 1 FFAF Cc1ccc2nc(Cn3nc(CC(=O)O)c4ccccc4c3=O)sc2c1 13860756 FUPJHRZTBXVILF-UHFFFAOYSA-N 365.414 2.990 0 1 FFAF COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cn1 1857763571 XICGUIRKAZQOOM-UHFFFAOYSA-N 372.388 2.985 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc([C@H](C)O)cc23)c1 3654262 XEDWCUZOQPGNSX-LBPRGKRZSA-N 372.446 2.770 0 1 FFAF O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)c3ccncc3)CC2)C1 4238103 AFRSAGOQRXEWNE-UHFFFAOYSA-N 368.412 2.991 0 1 FFAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C[C@H]([C@](O)(CO)[C@H](O)CO)C[C@H]12 2356337634 YYLNWEORJBWPMV-GBWKNCTISA-N 354.531 2.722 0 1 FFAF O=C(NOCc1ccc(Cl)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 103236702 GMYORTDIDIUWDP-UHFFFAOYSA-N 362.857 2.829 0 1 FFAF Cn1c(SCC(=O)NCc2ccco2)nc2c3ccccc3nc-2c1O 100705194 FBXANBBXDOKKAW-UHFFFAOYSA-N 368.418 2.780 0 1 FFAF CCCN1C(=N)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 103243712 OQVMHOQUJIMXQR-UHFFFAOYSA-N 353.422 2.724 0 1 FFAF O=C(O)Cc1c(C(=O)O)n(Cc2cccc(C(=O)O)c2)c2ccccc12 64559328 CWUWJMHHVJSCEO-UHFFFAOYSA-N 353.330 2.713 0 1 FFAF N#Cc1ccc(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F 115763875 LPHQOQIPNPHGQA-NXEZZACHSA-N 354.206 2.825 0 1 FFAF COc1cc2c(cc1O)CCN1[C@H]2Cc2ccc(OC)c(OC)c2[C@H]1O 2356723982 YNIYQDHOXRDOPB-VBKZILBWSA-N 357.406 2.564 0 1 FFAF CC(=O)OCC[S@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 36271562 ZUHFHBFMBYNBLT-XSSDXNQZSA-N 357.903 2.687 0 1 FFAF CCc1c(Cc2ccccc2)n(Cc2ccc(F)cc2)c(=O)n(O)c1=O 71329889 NIJJPYMTFZCIAO-UHFFFAOYSA-N 354.381 2.588 0 1 FFAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 85589139 QIJNCQNMZUTUIF-LSIMKLPESA-N 366.435 2.999 0 1 FFAF endogenous,world CO[C@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@H]1OC(=O)N(C)C 87723509 DIQQLBPGHRQICQ-MFHIXDMVSA-N 360.454 2.727 0 1 FFAF C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@@]1(O)[C@H]25 238739599 IPWIOBPPAKTQDQ-TUIMICOISA-N 357.494 2.901 0 1 FFAF COC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377845658 LZDFAHHNMQEDJG-UHFFFAOYSA-N 358.079 2.905 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)=N1 299815461 GPBCQGAAWLZWIS-LPCWVGJPSA-N 369.483 2.863 0 1 FFAF N=c1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c[nH]1 587259120 XMFLFZQKEVHCPP-HNNXBMFYSA-N 360.421 2.942 0 1 FFAF Cc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1 587204189 VPVTUJKZSOPQGV-AWEZNQCLSA-N 354.366 2.709 0 1 FFAF COC(=O)c1cc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2cc1OC 587116950 FSBLIHQYCOZAQS-UHFFFAOYSA-N 354.288 2.777 0 1 FFAF CS(=O)(=O)NCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587209932 XSJYVRPJEXWUAV-UHFFFAOYSA-N 352.415 2.538 0 1 FFAF O=C(NC[C@H]1CN(C(=O)c2ccccc2)CCO1)c1ccccc1Cl 1772576742 QHKWXOCUMFNGFB-HNNXBMFYSA-N 358.825 2.611 0 1 FFAF O=C1CNC(c2ccc(Br)cc2)=Nc2nc3ccccn3c21 1772593323 CNDIIWNHPRPVGI-UHFFFAOYSA-N 355.195 2.961 0 1 FFAF CCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 13441901 AGONNMICBWHYRL-VMEIHUARSA-N 350.484 2.758 0 1 FFAF O=C1N[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 14585619 ZPYSWVAWFDJYIM-MSOLQXFVSA-N 359.385 2.907 0 1 FFAF biogenic COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CO)OC2 169355835 IVJQHPFJFSRCHY-URWZVYIGSA-N 356.418 2.753 0 1 FFAF CCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 1857655531 UWAJRQKCRVYQAX-UHFFFAOYSA-N 362.813 2.773 0 1 FFAF C[C@H](C[C@@]12CC3CC(N)(C1)C[C@@](C[C@@H](C)O[N+](=O)[O-])(C3)C2)O[N+](=O)[O-] 1857768280 ODJGIELYZUQQTQ-IEGVYBCMSA-N 357.407 2.628 0 1 FFAF COc1ccc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1OC 4927373 DWDCIMOKRXVCFZ-HNNXBMFYSA-N 354.406 2.658 0 3 FFAF aggregator CC1CCC(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1 8691023 WEQZPSYRJWNYME-UHFFFAOYSA-N 353.422 2.936 0 3 FFAF aggregator CN1CCN(C/C=C2\c3ccccc3COc3ccc(C(=O)O)cc32)CC1 26173523 YZOLKBWOZLOICA-UFWORHAWSA-N 364.445 2.956 0 1 FFAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3)C1)C2 101505616 HBKRWXFJDGMODH-KZNAEPCWSA-N 371.481 2.643 0 1 FFAF O=C(c1ccccc1)c1cc(Cl)cc2c1S(=O)(=O)C[C@H]2C(=O)O 27988641 XREPKAAFDKUVCF-CYBMUJFWSA-N 350.779 2.527 0 1 FFAF CCC(=O)n1c(C(=O)c2ccc(-n3ccnc3C)cc2)c(CC)[nH]c1=O 28258397 WTDBWGAJVPLUIH-UHFFFAOYSA-N 352.394 2.514 0 1 FFAF O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(CN3CC[C@H](O)C3)cc2)[nH]1 23430701 DSBHKQJXOUKKEB-SFHVURJKSA-N 365.408 2.810 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[C@@H]2CCCCN2C1 39438941 VTFNJDHZVZDGIG-STQMWFEESA-N 351.878 2.925 0 1 FFAF CS(=O)(=O)c1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1 84602606 KLZNTLGOLYWNDF-UHFFFAOYSA-N 356.407 2.998 0 1 FFAF CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195064165 XXYXPBFLSNTPKS-DJTPWJCASA-N 369.461 2.529 0 1 FFAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](CC)N2 82207398 DYHNJNRNXXWKTM-CQSZACIVSA-N 368.437 2.982 0 1 FFAF O=C(c1ccccc1)N1CC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]21 199266676 RQQQVHLGTOJHIM-QFBILLFUSA-N 370.474 2.612 0 3 FFAF Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC2CC2)cn1 142858859 GEPLQYDNQXEEGS-UHFFFAOYSA-N 350.378 2.911 0 1 FFAF CC(C)(C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146259347 BOEABVAKFNOHKB-ZDUSSCGKSA-N 373.375 2.530 0 1 FFAF CCN(CC)C(=O)c1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1 143436605 ZKUTXIMEBKCMRM-UHFFFAOYSA-N 353.466 2.753 0 1 FFAF COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6ccc(OC)cc6N[C@H]51)[C@@H]43)C2 95912650 GVHHWISFNJFBGN-HJWIKWMHSA-N 366.461 2.715 0 1 FFAF biogenic,in-vitro CC[C@]1(O)c2cc3n(c(=O)c2CO[C@@H]1F)Cc1cc2ccccc2nc1-3 96934885 PODXSGSAUXEGAW-PMACEKPBSA-N 352.365 2.849 0 1 FFAF Nc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1N 587119360 WOIDVQJKGWOIFN-UHFFFAOYSA-N 363.303 2.646 0 1 FFAF Oc1ncnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115900 DMCNVLHKQMNUID-UHFFFAOYSA-N 360.093 2.902 0 1 FFAF CCOC(=O)Cn1c(C)cc([C@@H]2NCCc3c(C(=O)O)cccc32)c1C 963129042 DSMPLDLXGKPBCN-LJQANCHMSA-N 356.422 2.601 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C=C/[C@H](O)CCCC(=O)O 1561524856 AOPOCGPBAIARAV-DWQZBTKLSA-N 350.455 2.905 0 1 FFAF Cc1cccc(CN(CCC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)c1 1772603128 CLJVONXNSUWLDZ-UHFFFAOYSA-N 371.389 2.868 0 1 FFAF COc1cc(OC)cc(-c2ccc(Nc3cc(=O)n(O)c(O)n3)cc2)c1 1857572385 AXZXBQINGWHDGW-UHFFFAOYSA-N 355.350 2.614 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742845 KVFXBBSEFMIRDB-MCMMXHMISA-N 361.232 2.983 0 1 FFAF COc1ccccc1N1C(=O)N(C(C)=O)[C@H]2[C@@H]1Nc1ccccc1N2C 4982059 BEKBGNHWZFKNBX-MSOLQXFVSA-N 352.394 2.698 0 3 FFAF CCOc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 114086945 DYYIGENAVULQMH-SFHVURJKSA-N 358.467 2.958 0 1 FFAF COc1cc(C)ccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116822837 HINOQGSKIVQJQS-IRXDYDNUSA-N 366.465 2.619 0 1 FFAF CC[C@@H]1C[C@H]2N3CC(=O)c4c([nH]c5ccccc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356666968 QLRCIBGKUAAWBR-URCVVBJGSA-N 352.434 2.895 0 1 FFAF N=C(N)Nc1ccc([C@@H]2CC(=O)O/C(=C\I)C2)cc1 27430853 COQHRXZDELUWKF-MKVDPYIPSA-N 371.178 2.689 0 1 FFAF CC(C)C(=O)C(=O)N(C)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356819901 FGEYVSARJMKCGF-GOSISDBHSA-N 371.481 2.535 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 33956584 MGXLBYVOYDYHHV-QQCIIUGOSA-N 366.461 2.973 0 1 FFAF C/C=C(/C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3 33832093 PWBQERDUTAUICC-AVFOEOQDSA-N 374.389 2.582 0 1 FFAF biogenic,in-vitro COc1cc2nc(NCc3nc4ccccc4[nH]3)nc(N)c2cc1OC 45202310 BCKGMSAOKYQHSU-UHFFFAOYSA-N 350.382 2.718 0 1 FFAF COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](O)CC/C=C/2 84604658 SGAPQINNJDWPIZ-WWUCXIMOSA-N 350.411 2.645 0 1 FFAF C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 238736944 SJKRPUOXUNOPOP-UCSHSRLUSA-N 354.450 2.518 0 1 FFAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@@H](O)CO)ccc1-2 96269640 MLTPTUWQLMSDBQ-ZDUSSCGKSA-N 372.450 2.610 0 1 FFAF COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1O[C@@H](C)CC2=O 473112226 BLDKOKNYBYRQGV-VIFPVBQESA-N 374.345 2.668 0 1 FFAF CC1=C(c2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586906833 ROKVUMSSZBGJCJ-LICLKQGHSA-N 372.384 2.987 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncnc(Cl)c2[nH]1 587039631 UDAWONHOILGCPJ-UHFFFAOYSA-N 353.795 2.872 0 1 FFAF Nc1ccc(-c2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1N 587028794 XHHDABGNTKIHNB-UHFFFAOYSA-N 364.434 2.781 0 1 FFAF COC(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1OC 587234624 RYAORDJSGANLAI-UHFFFAOYSA-N 359.426 2.900 0 1 FFAF Cn1cc(-c2ncc(-c3nc4nc(Br)c[nH]c-4n3)s2)cn1 587021608 MOBYMBWKAORVMK-UHFFFAOYSA-N 362.216 2.591 0 1 FFAF CC1(C)C[C@]2(C=C(C(=O)O)O1)c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962570139 HVVOLGJKNMXRKJ-RDTXWAMCSA-N 363.797 2.700 0 1 FFAF CC(C)(CCc1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 39400876 WAOVOGVFRYXZSG-SFHVURJKSA-N 370.449 2.758 0 1 FFAF COc1cc([C@H]2NCCc3cc4c(cc32)OCCO4)cc(OC)c1OC 197446286 PQUKNJDHNPHWAF-LJQANCHMSA-N 357.406 2.719 0 1 FFAF CC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@]1(C)O)OCO3 17176656 WPRIGIWLWBHLBX-ACRUOGEOSA-N 369.417 2.919 0 1 FFAF COc1ccc(OC)c([C@H]2CCCc3c2cnc2nc(N)nc(N)c32)c1 1661565 MAKJOOFFSYGGBL-LLVKDONJSA-N 351.410 2.675 0 1 FFAF Cc1cc(=O)c2c(O)c3c(c(C[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 6069569 RYQFQWNLOIXOQQ-CQSZACIVSA-N 360.406 2.666 0 1 FFAF c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@H]2NN=N[C@H]23)cc1 102981779 USZKXDLHMKNUDS-XWSJACJDSA-N 351.406 2.995 0 1 FFAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@]3(C)CNC(=N)NC 2356424335 OFXXABHJXYDTNN-MFZWHMAKSA-N 363.502 2.610 0 1 FFAF COC(=O)c1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc1 28524675 AHAQLAMEKJXGOL-UHFFFAOYSA-N 366.373 2.656 0 1 FFAF COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@H]3CO)ccc1O 102980594 KBWKVVULAPXWFJ-BBNYVJOESA-N 358.390 2.557 0 1 FFAF CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccccc2)C1=O 26284909 AEUGOXRDLFRLDT-GOSISDBHSA-N 365.477 2.778 0 1 FFAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 26278093 YKLOEMVVJJXXQV-OAHLLOKOSA-N 370.324 2.774 0 1 FFAF Cc1nc2ccc(CSC(=S)N3C[C@H](C)O[C@H](C)C3)cc2c(=O)[nH]1 28334556 OYDIJFQAVWEXQL-PHIMTYICSA-N 363.508 2.859 0 1 FFAF N=C(N)C1=C[C@H]2C=C(C(=O)N3CCC(Cc4ccccc4)CC3)N=C2C=C1 31259905 KVXKNKYHJPTYNK-SFHVURJKSA-N 360.461 2.855 0 1 FFAF in-vitro CC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 45190571 DCTLEVDGGICUNO-UHFFFAOYSA-N 358.833 2.711 0 1 FFAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC2CC2)cn1 141282136 GWSANUOKNFPRAA-UHFFFAOYSA-N 350.378 2.911 0 1 FFAF COc1ccc([C@@H](O)C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1 95503119 OAYSUWARRNMLHR-GOSISDBHSA-N 357.454 2.912 0 1 FFAF Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl 209669532 NYPXMEZDHUIRNQ-UHFFFAOYSA-N 356.257 2.708 0 1 FFAF CC(C)Cc1ccc([C@@H](C)C(=O)OCON[N+](=O)N2CCCC2)cc1 377790562 CQFYIXXJIZQXPJ-OAHLLOKOSA-N 350.439 2.715 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299881903 OVKCQZKYKYWDLW-MZMPZRCHSA-N 357.479 2.906 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cncc(Br)c2[nH]1 587094667 SGHVVNSYZOLOGZ-YFKPBYRVSA-N 351.126 2.850 0 1 FFAF COCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791416 IGDVGJLQUQFBCX-QLJPJBMISA-N 374.250 2.917 0 1 FFAF CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ccn2)CC1 1857763653 VUIHBPMREPRCQE-LJQANCHMSA-N 351.498 2.738 0 1 FFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1C(=COC)C(=O)O 2356380511 IQSFEAHJUMVILC-PKEAVRCTSA-N 370.449 2.612 0 1 FFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055073 BNPBVBSGOADZPG-ZOBUZTSGSA-N 362.813 2.912 0 1 FFAF COC(=O)c1ccc2oc(=O)c(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2c1 6917844 IRJGJZOZOAUSEN-UHFFFAOYSA-N 364.313 2.821 0 1 FFAF c1cc(CN2CCOCC2)cc(-c2cnc3ncc(-c4cn[nH]c4)cn23)c1 53244077 FCENIBDOOHPIED-UHFFFAOYSA-N 360.421 2.619 0 1 FFAF CS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(Br)cc2)c1 26735534 LRSHTCZOIAVACU-UHFFFAOYSA-N 370.224 2.811 0 1 FFAF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC[C@@]14C[C@@H](CC[C@]13C)[C@@](O)(CO)C4)OC2=O 2356725106 JAKLTKSIKSMOEM-BWJXHFQBSA-N 364.482 2.632 0 1 FFAF C[C@@H]1CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 36020304 WZRICMNGPGNPSX-FHTIFFCLSA-N 358.390 2.822 0 1 FFAF CC(C)NC(=O)c1csc(N2CCN(CCc3ccccc3)C2=O)n1 74380033 QIJZBRRIHAIIPM-UHFFFAOYSA-N 358.467 2.766 0 3 FFAF O=C1N/C(=C\c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 49807622 DFKKXVQJUSCFTO-UVTDQMKNSA-N 362.794 2.622 0 1 FFAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccccn1 82203562 UFHMSVKNIBFEFA-UHFFFAOYSA-N 361.453 2.514 0 1 FFAF O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)O)cc1 327577245 AAOBVGMOPCXOQP-UHFFFAOYSA-N 361.423 2.718 0 1 FFAF C1=C[C@@H]2N=CC[C@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 45352498 NJAMOMUODHNEMA-SJORKVTESA-N 362.437 2.561 0 1 FFAF COc1nc(N[C@@H](C)c2ccc(F)cn2)nc2c1ncn2-c1cc(C)[nH]n1 96167844 QZNUPKBSCDQOPS-JTQLQIEISA-N 368.376 2.563 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253915545 AKYKYHKJUHUACD-KLEWCUPXSA-N 350.499 2.681 0 1 FFAF O=C(O)COc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1F 473086987 JIBURGOVAAQTST-UHFFFAOYSA-N 366.732 2.520 0 1 FFAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@](O)(c1nccn1C)C(F)(F)F 587638558 ZUEAIILCRGUOTB-OAHLLOKOSA-N 353.300 2.706 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C 586932831 JLBCEKYPVCRPPD-LSDHHAIUSA-N 367.475 2.703 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 587225049 MHASOPKGBACEQT-KRWDZBQOSA-N 353.382 2.929 0 1 FFAF CCN(CC)c1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)c(O)c1 587664810 JHINENVZRLEWRU-UHFFFAOYSA-N 367.405 2.700 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C[C@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587432715 LDLCHXSOTZXFTG-VFCRVFHLSA-N 367.401 2.759 0 1 FFAF CCOC(=O)C(=O)[C@H]1COCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963115639 AMHDOPSPFXBLCQ-CXAGYDPISA-N 372.248 2.503 0 1 FFAF Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 144151089 BXZCHELXYNXCDS-UHFFFAOYSA-N 350.209 2.775 0 1 FFAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N1CCOCC1 13747578 WARJVLNAQNJMPQ-UHFFFAOYSA-N 370.471 2.599 0 1 FFAF CN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21 13824781 XGQLAZMPDNOORS-UHFFFAOYSA-N 359.227 2.949 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2n1cnnn1 169232696 BZZVMQHWNQRWOA-BGZMIMFDSA-N 355.486 2.903 0 1 FFAF O=C(N[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167269201 KHBANOIHNONROY-SFHVURJKSA-N 369.396 2.892 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1C1=CN2CCCC3=CC=C[C@H]1[C@@H]32 1857573878 CXLGDSFMCPYYAM-PSOYPTMXSA-N 371.440 2.998 0 1 FFAF COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(O)n3)c2)c(OC)c1 1857573976 BNSNWCFNWYKJCG-UHFFFAOYSA-N 355.350 2.614 0 1 FFAF COc1ccnc(N2C[C@H]3CN(C(=O)c4cccc5ccccc45)C[C@H]3C2)n1 116823811 GBOGADFPCXULPQ-CALCHBBNSA-N 374.444 2.847 0 1 FFAF Cc1cccc2c1nc1n2[C@H](CNC(=O)COc2ccccc2)COC1 2356546129 AYKPHOKZQIFDBI-OAHLLOKOSA-N 351.406 2.611 0 1 FFAF COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@@H]1OC)OCO4)N(C)CC2 2356653115 BAXRCWPTHNMMEU-SFTDATJTSA-N 369.417 2.757 0 1 FFAF CC[C@H](C)[C@]1(OC)NC(=O)[C@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O 2356788136 BXXKDKYMYMHCKH-SLSDUTBNSA-N 373.453 2.577 0 1 FFAF COc1ccc(-n2nc(C(=O)OC(C)(C)C)c3csc(N)c3c2=O)cc1 40956079 IXMKLZPVFBFQAY-UHFFFAOYSA-N 373.434 2.993 0 1 FFAF CCN1CCN(c2ncc(C)c(N[C@@H](C)C3CCC(OC)CC3)n2)CC1 82202681 PENBSLHRIASVOD-AOCRQIFASA-N 361.534 2.933 0 1 FFAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(Cl)cc3)CCC2)cc1 40575585 YVYDOEIFNPYSGZ-UHFFFAOYSA-N 370.864 2.793 0 1 FFAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)([C@H](O)CO)CC[C@H]21 238739519 HCDXIYYTHGLFFA-HXZUJCDCSA-N 354.487 2.975 0 1 FFAF COc1ccccc1C(=O)OCCOC1=C(c2ccccc2)C(=O)OC1 96914279 IJHHSADBCKFGAA-UHFFFAOYSA-N 354.358 2.837 0 1 FFAF CCOC(=O)CNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 95578523 BZTONDMAVDGKHV-UHFFFAOYSA-N 356.382 2.742 0 1 FFAF COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CNCC2)OCO3 31841143 WIILRXFCYJMJTC-UHFFFAOYSA-N 355.390 2.504 0 1 FFAF biogenic Cc1ccc(-n2ncc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2N)cc1 299852324 QJVVTJHFIAOKQW-UHFFFAOYSA-N 355.486 2.802 0 1 FFAF Oc1cc(O)nc(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 586966850 PEXYCELGCLFABH-UHFFFAOYSA-N 358.301 2.955 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]31)CC2=O 587488437 ZOFFKOMZMXRLIN-HORILSJLSA-N 359.422 2.521 0 1 FFAF Cc1cccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587204488 YWWYEXZXIKQRFO-OAHLLOKOSA-N 353.378 2.793 0 1 FFAF CN(C)C(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587041747 GAAMUUFLJBVNLQ-CQSZACIVSA-N 360.483 2.885 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1 586896613 OVXXFFNTCAYXJP-BETUJISGSA-N 351.472 2.612 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 587106098 IEARJBAZFKBQSB-RCDCFZSISA-N 356.381 2.759 0 1 FFAF CN[C@H](c1cccnc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587225888 ZAIRDTYBVVRFJT-CYBMUJFWSA-N 370.356 2.560 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NC(C)C 587861602 AJTFPIVYRNNMRD-UHFFFAOYSA-N 355.316 2.742 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCOCC3)ccc1N)O2 587398400 GHLQHTSUOLPSNL-NRFANRHFSA-N 367.449 2.877 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCO3)C(C)C 586932104 AGTVHVLYNGRBJD-HNNXBMFYSA-N 353.444 2.708 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963838 UISNRFIWVLPUGD-QWHCGFSZSA-N 363.483 2.751 0 1 FFAF CC1=C[C@@]2(C(OCC(=O)O)=CN1C)c1ccc(F)cc1C[C@@H]1CCCN12 963098476 HAKSASRVJCBWPT-JXFKEZNVSA-N 358.413 2.833 0 1 FFAF CC1=C[C@]2(C(=O)CN1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962632557 LKZIUFHDMTWSOA-NZQKXSOJSA-N 359.473 2.705 0 1 FFAF COCOc1ccc([C@]2(O)Oc3cc(OCOC)ccc3[C@H]2C)c(O)c1 5854099 AFZNGIUUSDOHOB-CWTRNNRKSA-N 362.378 2.699 0 1 FFAF CC(C)C(=O)Nc1ncc(S(=O)(=O)Cc2ncc(C(C)(C)C)o2)s1 13490957 BSWMNAJWXZTLKF-UHFFFAOYSA-N 371.484 2.997 0 1 FFAF Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@H](C)C2)cc1 4101814 MWJLRINFFZYKNN-ICSRJNTNSA-N 371.525 2.724 0 3 FFAF O=C(c1ccncc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(F)cc1 4597873 KLBFUMAJADAJRO-OAHLLOKOSA-N 353.275 2.830 0 1 FFAF CC1=N[C@@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC1CCCCCC1 103996947 XICGDBNECXRPRW-MJZWWFLCSA-N 357.406 2.743 0 1 FFAF CCOC(=O)[C@H](Cc1ccc(OCc2ccc(OC)cc2)cc1)NC(C)=O 28708265 NSKZXIFRTCZHDJ-FQEVSTJZSA-N 371.433 2.885 0 1 FFAF Cc1cn(CCCNC(=O)c2ccc(I)cc2)cn1 27626575 UJBYEHKZCWIMTI-UHFFFAOYSA-N 369.206 2.616 0 1 FFAF N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O 27869303 YEIPENKZKGYLPU-IAGOWNOFSA-N 372.428 2.841 0 1 FFAF NC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O 34227695 JYHYTJMGGOSNTG-UHFFFAOYSA-N 358.467 2.991 0 1 FFAF NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(F)c(F)c3)c2c1N 73223730 PPFJXWVKHYGXEF-UHFFFAOYSA-N 361.377 2.892 0 1 FFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 36009726 YTPIKBDQYYJFBE-HNNXBMFYSA-N 366.446 2.713 0 1 FFAF COc1cccc(C(=O)N2[C@H](COCc3ccccc3)C=CS2(=O)=O)c1 72139902 KWJVECVPMXFXHJ-KRWDZBQOSA-N 373.430 2.580 0 3 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO 238782770 HSTQCNXDHJXHRV-HLVONWIVSA-N 360.406 2.614 0 1 FFAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccc(F)c1 95603080 IUTJCIBYGIMQFU-HXUWFJFHSA-N 372.465 2.976 0 3 FFAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@H]4C3)n1)CCC[C@H](c1ccccc1)C2 253907951 VJUGZSKEQACKNI-ZWOKBUDYSA-N 363.509 2.910 0 1 FFAF CCOc1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439105 JKJXEEGCBVBFQE-VLIAUNLRSA-N 351.358 2.689 0 1 FFAF Cc1nccc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc12 587260198 UNJMIKTZDOSHQR-HNNXBMFYSA-N 353.426 2.973 0 1 FFAF COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445185 ZSIXCTSIMCXWOM-IERDGZPVSA-N 368.385 2.910 0 1 FFAF CC1=C[C@@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582160 KIJSGMMJTBVNLZ-XLIONFOSSA-N 351.358 2.859 0 1 FFAF CCOC(=O)[C@@H](Cc1cccc(C)c1)c1ccc2c(O)nc(O)nc2n1 587559783 OBFSYXHFQCZNMA-AWEZNQCLSA-N 353.378 2.634 0 1 FFAF O=C1C[C@@H](Cc2nc3cncnc3[nH]2)c2c(Br)cccc2O1 587003804 ODOKPVBXTWIJRH-MRVPVSSYSA-N 359.183 2.751 0 1 FFAF Cc1ccc([C@]2(CC(=O)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408975 SAEUKQLPQUTFPN-HXUWFJFHSA-N 353.374 2.790 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](C(=O)O)C2)N1 587824376 BJJKMSCBPGRHCK-DRGRQASISA-N 370.218 2.772 0 1 FFAF FC1(F)CCN(c2ncnc3c2cnn3CCN2CCCCC2)CC1 208753229 SRZDNGAZYBLHGC-UHFFFAOYSA-N 350.417 2.548 0 1 FFAF C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 5132651 TYPMTMPLTVSOBU-PYZKSWLESA-N 352.434 2.963 0 1 FFAF NC(=O)c1ccc(N[C@H]2CCCC[C@H]2N)cc1Nc1cccc2c1OCO2 1772570124 TVQFNDFRRSORCP-CABCVRRESA-N 368.437 2.940 0 1 FFAF CC[C@H]1CCCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 13131644 MHAWMHDJBIBWBV-YJBOKZPZSA-N 359.470 2.547 0 3 FFAF aggregator C[C@H]1C[C@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 169727708 UKVAEISSAVZLLZ-BLLLJJGKSA-N 363.421 2.928 0 1 FFAF O=C(COc1ccc(N2C(=O)C3=C(CCCC3)C2=O)cc1)N1CCCCC1 704263 AMSULJWDWWHWTD-UHFFFAOYSA-N 368.433 2.822 0 1 FFAF CC=C[C@H](O)[C@H](O)[C@]12C=C[C@H](C)[C@@H]1c1c(c3c(C)cc(O)cc3oc1=O)O2 2356326131 UOSOGOPJUWRLRY-BIMRTVDPSA-N 370.401 2.526 0 1 FFAF COc1ccc(CC(=O)Nc2c(O)oc3ccccc3c2=O)cc1OC 103568824 YQSYHCPGLLVAFN-UHFFFAOYSA-N 355.346 2.697 0 1 FFAF CC[C@]12c3c4c5ccccc5n3[C@](O)(C(=O)OC)C[C@@H]1CCCN2CC4 2356382081 MCUPLASQAWQHIW-LVXYXVKQSA-N 354.450 2.737 0 1 FFAF O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2 103276024 CRYMDEDOGKKRIT-LBPRGKRZSA-N 365.311 2.882 0 1 FFAF CNC(=O)C(C)(C)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 206689702 VANPJLCYVSZSTD-UHFFFAOYSA-N 359.470 2.782 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@]14COC(=O)[C@@H]1C=C[C@H](O3)[C@H]42 2356500007 MIKHBQGTXJCMIO-UBHSISLHSA-N 356.374 2.551 0 1 FFAF CC=C1CNCC[C@@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@H]3C(=O)OC 2356569130 IWHCGBPCBYWRBB-MOFCZTIZSA-N 368.477 2.666 0 1 FFAF CO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@H]23)[C@H]1O 2356596579 KVGCXSKAIUCSKN-KAJFERSBSA-N 350.370 2.624 0 1 FFAF CCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O 66103413 BHHGVNCCEIINKB-UHFFFAOYSA-N 366.417 2.575 0 1 FFAF CCOC(=O)N1CCN(Cc2nnc(-c3cc(Cl)ccc3F)o2)CC1 38895704 UZAQSDGSKBVQJM-UHFFFAOYSA-N 368.796 2.803 0 1 FFAF COc1ccc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc1OC 14760197 OIFFJDGSLVHPCW-HUUCEWRRSA-N 358.390 2.689 0 1 FFAF biogenic CC1=C(C(N)=O)[C@@H](c2ccco2)N2NC(SCc3ccccc3)=NC2=N1 473137224 WZHGAINSFCVMGF-OAHLLOKOSA-N 367.434 2.559 0 1 FFAF Oc1nncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018739 NBEVAQNGCDVNHY-UHFFFAOYSA-N 367.390 2.544 0 1 FFAF Nc1ncnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 587019486 OWDKMSKHGTTYBR-UHFFFAOYSA-N 366.410 2.626 0 1 FFAF N=c1nc(O)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c[nH]1 587253535 LNFWMTPNNFASON-UHFFFAOYSA-N 374.120 2.919 0 1 FFAF Cc1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 586928552 FHTHTHWGXKQKTK-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF COc1cc(Br)cc(C=O)c1OCc1nc2cncnc2[nH]1 586980277 NADBLBCKPLJLQW-UHFFFAOYSA-N 363.171 2.516 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Br)c1OCC3 587365176 BGQVYFYWWKHHFB-UHFFFAOYSA-N 360.167 2.800 0 1 FFAF CN1C(=O)CCc2cc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)ccc21 963025066 JHQWQALTHNWQMQ-QRQCRPRQSA-N 361.445 2.738 0 1 FFAF Cc1cc2c(cc1O)C1(CC(OCc3ccccc3)C1)N[C@H](C(=O)O)C2 963512232 VWKKIJFMVAJEAY-JGCRXCKMSA-N 353.418 2.874 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@]21CCCC(Cl)(Cl)C1(O)O 963269158 FXVWNXUKQNNMBL-CYBMUJFWSA-N 366.672 2.728 0 1 FFAF CNc1n[nH]c2cc(NC(=O)N[C@](C)(COC)c3ccccc3)ncc12 1772640126 XCAMMLNFXVRZFJ-GOSISDBHSA-N 354.414 2.683 0 1 FFAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)CC1 5841181 MVMJXZUHWQXVSN-UHFFFAOYSA-N 373.428 2.706 0 1 FFAF CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150163095 PBALYXLMTPWHGV-KRWDZBQOSA-N 359.470 2.638 0 1 FFAF CCNC(=O)N1CCC[C@@H](N2CCC(c3ncccc3OC)CC2)CC1 1857573617 KZOVGRHHJQWGNJ-QGZVFWFLSA-N 360.502 2.854 0 1 FFAF COc1ccc(=NC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)[nH]c1OC 1857581707 XYGHUQINFUXJAU-UHFFFAOYSA-N 370.405 2.966 0 1 FFAF Cc1ccc2nc([C@@](O)(c3ccccc3)c3cccc(=O)n3C)n(C)c2c1 1857608877 WGHCDAXCYFRWQN-JOCHJYFZSA-N 359.429 2.865 0 1 FFAF O=C(NCCO)c1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857639411 JWBPROUPZLNYFD-UHFFFAOYSA-N 364.430 2.847 0 1 FFAF COc1ccc(F)c(-c2nc(=N[C@H](C)C3CC3)[nH]c(=N[C@H](C)C3CC3)[nH]2)c1 1857653901 WWRAJFZRAVDBHX-VXGBXAGGSA-N 371.460 2.951 0 1 FFAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCc2ccccc2F)cc1 770245 RWLAOSAWIVNALO-NRFANRHFSA-N 369.440 2.991 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 770895 HMZKVCJGKRCXJV-PKOBYXMFSA-N 370.405 2.629 0 1 FFAF COc1ccc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)O)cc1 1645056 YETYHCXNYZFWAD-HNAYVOBHSA-N 369.373 2.589 0 1 FFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)O 2356380510 IQSFEAHJUMVILC-BJIKLQPUSA-N 370.449 2.612 0 1 FFAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051585 ZAABBSDFYRKRDR-CZANMRCUSA-N 356.422 2.895 0 1 FFAF N=C(N)SCCO[C@H]1CC[C@H]([C@H]2CC[C@](O)(CC(=O)O)CC2)CC1 101316148 AXHJHBJQQWLDTO-FHZBBNLWSA-N 358.504 2.584 0 1 FFAF CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 103262435 NNMJXPKTSRZATE-UHFFFAOYSA-N 353.426 2.733 0 1 FFAF CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C(=O)OC)C(C)C 102010474 BIODKAMHLHVLIO-AEFXTWNNSA-N 368.518 2.657 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@]2(O)[C@@H]31 2356669454 CABGQYFITSLGGW-QPPPPFMWSA-N 358.390 2.534 0 1 FFAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356776693 JHBBZIAPXDEPET-OYWMVWLHSA-N 350.499 2.537 0 1 FFAF COc1cc(C)c2c3c(c(O)c4c2c1[C@@](C)(O)C4=O)C(C)(C)[C@@](C)(O)O3 2356801893 RTQXOIUEMIKKMN-UXHICEINSA-N 358.390 2.645 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CN)n1 2356816550 DCKBBOCQTCSAEI-YTQUADARSA-N 351.498 2.655 0 1 FFAF COc1cc2nc(=S)n(NC(=O)c3ccccc3)c(O)c2cc1OC 138801967 IPOHRILAIVFOLE-UHFFFAOYSA-N 357.391 2.872 0 3 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95894126 XTQBSVCVYJLKNC-NLWGTHIKSA-N 365.433 2.804 0 1 FFAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95794714 WBEDKPBPLNSMOM-PZJWPPBQSA-N 368.452 2.777 0 1 FFAF c1ccc2nc(N3CC(Oc4nccnc4-c4cncnc4)C3)ccc2c1 96168837 IIVZOVNMVVDEFY-UHFFFAOYSA-N 356.389 2.749 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ncncc1Br)[C@@H](C2)C3=O 587413685 OURQBLZXNANWPX-MGPLVRAMSA-N 361.195 2.911 0 1 FFAF CCOC(=O)C(=O)[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441376 KEIBMBQJCAOKMK-JZKQVHKSSA-N 358.390 2.504 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C 586932124 AXQOUGMMQAXQDQ-HNNXBMFYSA-N 367.471 2.766 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CN(C)N[C@@H]1C(F)(F)F)CC2=O 587464082 ICMYHISOERCNEJ-WPGHFRTFSA-N 358.360 2.676 0 1 FFAF c1ncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1 587017013 GOXWFZFXBHCFNJ-UHFFFAOYSA-N 351.391 2.838 0 1 FFAF Cc1nnc2sc(C(=O)NC3CN(c4ccccc4F)C3)c(N)c2c1C 1772627812 KWNMSJMYEUNEDC-UHFFFAOYSA-N 371.441 2.648 0 1 FFAF COc1ccc(N2C(=O)CN(C(=O)c3ccc(OC)o3)CC2(C)C)cc1 14882067 JBDDZUOUUAUMRE-UHFFFAOYSA-N 358.394 2.564 0 1 FFAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)[C@@H]1CCOC1 167852849 IKDLXDCRANMJOM-CQSZACIVSA-N 352.394 2.604 0 1 FFAF O=C(NCc1ccccn1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 207733682 YJQRIXQJAGCBRV-UHFFFAOYSA-N 374.391 2.651 0 1 FFAF CC(=O)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1 1857566531 INCQBJSJOJNAKQ-UHFFFAOYSA-N 354.454 2.660 0 1 FFAF COc1cc2c(c(O)c1OC)-c1cc3ccc(O)c(OC)c3c[n+]1CC2 3652322 KBKYLODLEXUWBU-UHFFFAOYSA-O 354.382 2.787 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356399470 WHGSMDTWNZJGPS-SUMDDJOVSA-N 370.449 2.520 0 1 FFAF Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1 4969507 ACMSXKVWFPKUCG-UHFFFAOYSA-N 372.406 2.632 0 3 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@H](C2)N(CC2CC2)CC[C@]341 29230306 ZGINMMAZDQRTDJ-LSYTXIAXSA-N 353.462 2.960 0 1 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)nc1 29038934 WWZLDEDEMXIPOG-UHFFFAOYSA-N 368.340 2.752 0 1 FFAF COC(=O)C1=C2[C@H](CCC[C@@]2(C)C(=O)OC)c2cc(C(=O)OC)ccc21 2356650509 IONOIRYNAZYUIR-ZUOKHONESA-N 358.390 2.860 0 1 FFAF CN(CCCn1nc2ccccn2c1=O)CCNc1cccc(Cl)c1 27096647 QHNMMROQMFUTFO-UHFFFAOYSA-N 359.861 2.583 0 1 FFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356811222 HPGWZMYAAOMWIK-XUVXKRRUSA-N 372.533 2.530 0 1 FFAF CCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCCCC(=O)OC 2356815892 CWMQSHQTHHKXHQ-UHFFFAOYSA-N 366.410 2.900 0 1 FFAF CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@@](C)(O)C(=O)C3(C)C 14453164 VNKDSIQJVMWJFM-HXUWFJFHSA-N 356.374 2.556 0 1 FFAF biogenic O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@H]1c1ccccn1 39229181 ZGSKSRVTFKPQSY-YJBOKZPZSA-N 352.438 2.727 0 1 FFAF COc1cc2c(cc1O)[C@H](O)CN(C)[C@@H]2Cc1ccc(OC)c(OC)c1 14687766 MSRVKQUDTFQGOI-NVXWUHKLSA-N 359.422 2.681 0 1 FFAF biogenic CCCC[C@@H](CC)NC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1 45227843 TWESZURJXAGHDL-WOJBJXKFSA-N 373.541 2.895 0 1 FFAF C=C1C[C@@](C)(c2cncc(NC(=O)c3ccc(C#N)cn3)c2)N=C(N)S1 147113064 OMLZBEBDBZKONL-SFHVURJKSA-N 364.434 2.781 0 1 FFAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2c[n+]([O-])ccc21 146521200 BGUHUFLWLLYIML-GFCCVEGCSA-N 372.730 2.785 0 1 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 255221023 JHBBZIAPXDEPET-LPDVSDFBSA-N 350.499 2.537 0 1 FFAF CCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cn1 473245294 XHSGDRIRSVQRAH-UHFFFAOYSA-N 366.377 2.890 0 1 FFAF NC(=O)c1c(F)ccc(OC[C@H]2COc3ccc(Cl)cc3O2)c1F 299820554 GFUGFRVFOIZJKX-SECBINFHSA-N 355.724 2.936 0 1 FFAF Oc1nc2cc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3cc2[nH]1 586994753 ARVLNKBKSFZRAI-CYBMUJFWSA-N 359.183 2.989 0 1 FFAF O=C(c1csnn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656963 OEGLKCHGHDREDZ-UHFFFAOYSA-N 370.340 2.882 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@@H]1C(=O)OC)CC2=O 587476606 QBSDTPBQMHQWFD-FOIQADDNSA-N 361.438 2.564 0 1 FFAF Cc1csc([C@](O)(Cc2nc3ccc(CO)cc3[nH]2)C(F)(F)F)n1 587094737 USBNZROFXGZMNH-CQSZACIVSA-N 357.357 2.813 0 1 FFAF NC(=O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168730 NYGJQCNUXDHATR-UHFFFAOYSA-N 362.368 2.926 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586921423 HZAKDERBWRZVPR-UHFFFAOYSA-N 356.407 2.529 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1NC(=O)c3ccccc3N1)CC2=O 587484930 OSBNZXQTQSVJGO-MJGOQNOKSA-N 352.390 2.860 0 1 FFAF N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1COC1 587255290 CABBFCFXRFBTBT-SNVBAGLBSA-N 361.037 2.734 0 1 FFAF CCOC(=O)[C@H](Sc1ncnc2c1sc(=S)n2CC)C(C)=O 957877263 DHNJJKJIEGVILO-MRVPVSSYSA-N 357.482 2.855 0 1 FFAF COc1ccc2c(c1OC)[C@@H](c1c(C)nn(C)c1N(C)C)N(C)[C@H](C)C2 962625374 DVINHWACVZKQIB-KZULUSFZSA-N 358.486 2.778 0 1 FFAF Oc1ccc2c(c1)[C@H](c1cccc(OCCCN3CCOCC3)c1)NCC2 963329405 NVALABCKHIEIJT-QFIPXVFZSA-N 368.477 2.728 0 1 FFAF Cc1cc(C(=O)N(C)C)cc([C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 1772607611 YAVZAMCCDJRPBX-AWEZNQCLSA-N 369.469 2.568 0 1 FFAF O=C(NCc1cc2ccccc2s1)c1cc(CN2CCC[C@H](O)C2)on1 12056123 BQOVGJWMMJMGCF-AWEZNQCLSA-N 371.462 2.776 0 1 FFAF COc1cccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)n1 13746151 OVUZAPYDMMHSPI-VWLOTQADSA-N 356.451 2.650 0 1 FFAF C[C@H](C(=O)Nc1ccccn1)N(c1ccccc1Cl)S(C)(=O)=O 169302974 UWFSUFIEPLBKJE-LLVKDONJSA-N 353.831 2.528 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@@H]3N)cc3cnnc(O)c23)c1 1857555770 USOMMSHSFFBVGU-HOTGVXAUSA-N 364.453 2.886 0 1 FFAF C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2[nH]c(=O)sc12 591047 QBTGEPDYFFOCND-MRVPVSSYSA-N 366.443 2.604 0 1 FFAF C[C@H](CCc1ccccc1)NC[C@@H](O)c1cc(C(N)=O)c2[nH]ccc2c1 6036499 DEXHZSZLIVQAPC-AUUYWEPGSA-N 351.450 2.911 0 1 FFAF COc1cccc2c1C[C@H](NCCCN1C(=O)c3ccccc3C1=O)CC2 29554902 HFWQIBPOQDGQMR-MRXNPFEDSA-N 364.445 2.828 0 1 FFAF CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)ccc1c2=O 61921416 VSWSNBQYQGIEJG-HNNXBMFYSA-N 352.369 2.750 0 3 FFAF COc1c2c3c(c(OC)c1OC)-c1cc4c(cc1C[C@@H]3NCC2)OCO4 14652947 BRFSQLJZEXODAM-ZDUSSCGKSA-N 355.390 2.851 0 1 FFAF biogenic CC(C)C(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1cccc(O)c1 14728174 ZMADGMGPOXUDTA-ROUUACIJSA-N 358.346 2.688 0 1 FFAF biogenic CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccnc1)C1CC1 139044778 WBKRSMQUVSKNQX-IBGZPJMESA-N 366.465 2.666 0 1 FFAF C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccsc3)c(=O)n21 82211012 LYDZCUVUWCTRAJ-NSHDSACASA-N 374.491 2.780 0 1 FFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NC1CCC(C)CC1 82203586 QKBGDBVYVCFLSA-UHFFFAOYSA-N 367.501 2.892 0 1 FFAF CC(=O)Oc1cc(/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)oc(=O)c1 238776078 SRTSQQDSWZIXHU-GQCTYLIASA-N 372.329 2.586 0 1 FFAF CNc1nc(N)nc2c1ncn2Cc1cc(OC)c(OC)cc1C(C)C 96924157 NPYDQGWEVZJPMS-UHFFFAOYSA-N 356.430 2.639 0 1 FFAF C[C@H]1CCCCN1C(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473155026 OFZVIHINKHJJFF-JTQLQIEISA-N 370.268 2.978 0 1 FFAF CCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1 299840624 VRTSRFMKLWDORK-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)c(N)c1)O2 587400489 QEQQEBLKSJVTLL-NRFANRHFSA-N 367.449 2.877 0 1 FFAF COCCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660338 AXYNLYOXAPBMLV-UHFFFAOYSA-N 371.437 2.962 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3C1=O)O2 587392687 VRKRENIBPDQYRW-HXUWFJFHSA-N 350.374 2.597 0 1 FFAF COC(=O)c1cccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 587245959 BLJBMFNOWAHWGN-HXUWFJFHSA-N 351.406 2.701 0 1 FFAF COC(=O)c1cc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2cc1OC 586909212 USOWZCQFIQVEET-UHFFFAOYSA-N 352.346 2.997 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586962382 QXWPYAHPYJJMDK-YFKPBYRVSA-N 356.333 2.908 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C1)CC2=O 587485758 QUTZTCOPXJVATI-LBFBHYQSSA-N 359.422 2.521 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(C3(O)CCOCC3)nc2c1 586914223 XHJUHVLHNOVJFG-UHFFFAOYSA-N 369.215 2.500 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@]2(CC(=O)C(=O)O)c1ccccc1 963260508 XNNBQMKNNBWVPI-LJQANCHMSA-N 359.809 2.782 0 1 FFAF [C-]#[N+]c1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1 1772605055 DHANOVTWYFIHPX-UHFFFAOYSA-N 357.458 2.764 0 1 FFAF COc1ccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c(OC)c1OC 5503155 YYFCKMGXGBYSNO-UHFFFAOYSA-N 355.346 2.950 0 1 FFAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](C)C[C@@H](OC)N1C 169306448 PTCRNTLFIVAYCE-BXUZGUMPSA-N 354.838 2.947 0 1 FFAF Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311427 PWUMXBLOOZZPTL-PJFYEMTHSA-N 362.495 2.972 0 1 FFAF Cc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 120611714 LQPALYCPFVMKLA-UHFFFAOYSA-N 374.506 2.817 0 1 FFAF CCOC(=O)[C@@](NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC 1856217 WIJWEPSAFHKVBY-NSHDSACASA-N 363.269 2.600 0 1 FFAF CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCC(O)CC1 57613938 AOQCUAFJMRKVDH-GOSISDBHSA-N 366.469 2.522 0 3 FFAF CCCCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1 103284761 UEPZBHFJMIEVDF-UHFFFAOYSA-N 369.465 2.957 0 1 FFAF CCCCO[C@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O 28530854 GYPDRBBZPZEGBL-QAPCUYQASA-N 361.467 2.828 0 1 FFAF O[C@@H](COc1cccc(-c2cncnc2)c1)CN1CCc2ccccc2C1 219764795 ZCLCZAVWWOFBLA-OAQYLSRUSA-N 361.445 2.942 0 1 FFAF CN1C(Nc2nc3ccc(Cl)nc3s2)=NC[C@]12CN1CCC2CC1 210833195 KJBHTEPFYURRRS-MRXNPFEDSA-N 362.890 2.522 0 1 FFAF CC[C@H]1C[C@@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40897706 MZMYOBYFXFJPSM-GXTWGEPZSA-N 352.822 2.701 0 1 FFAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(C)CC2 43076504 CSUFHLNECBNNEF-UHFFFAOYSA-N 353.488 2.652 0 1 FFAF C/C=C1/CN2[C@@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 238789360 RCEFXZXHYFOPIE-BAKJLPQJSA-N 352.434 2.567 0 1 FFAF O=C(COc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271359 FVYHXZWAUONRPT-UHFFFAOYSA-N 368.414 2.932 0 1 FFAF CC(=O)NC1(c2ccccc2)CCN(CC(=O)Nc2ccccc2)CC1 621476083 HYXSLFXTPGAAGG-UHFFFAOYSA-N 351.450 2.753 0 1 FFAF Clc1ncc(-c2nc3cc(I)cnc3[nH]2)cn1 587086200 XCMFZUSHMGNQQH-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@@H](O)c1ccccn1)O2 587393982 OVBQBWCQURVCQP-SFTDATJTSA-N 361.401 2.962 0 1 FFAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587097822 SWBIOXBPKYCERO-ZLXGRDSLSA-N 356.381 2.992 0 1 FFAF CN(CC(=O)O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587505457 MJGUXLOTXOHSJM-KRWDZBQOSA-N 367.405 2.583 0 1 FFAF Nc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1N 587119878 KFPWCWNQNRLIAG-UHFFFAOYSA-N 350.348 2.870 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCOCC1 587872014 GTUVQCJUWHNQEJ-CQSZACIVSA-N 361.417 2.696 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncc(Cl)c3[nH]2)cc1 586925053 FDBHFTRMIQVROU-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3cn[nH]c3cc2[nH]1 587193925 IPPFSYJYQBFTPX-LBPRGKRZSA-N 358.446 2.957 0 1 FFAF CN(C)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nc1 587194798 OLRWTJRCTRCZKW-UHFFFAOYSA-N 361.409 2.750 0 1 FFAF C[C@@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592050 HGZGUYKIHVUFJZ-ONFKWDQZSA-N 367.401 2.958 0 1 FFAF Cc1n[nH]cc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138377 HRWCBIPURLUOIT-NEPJUHHUSA-N 364.427 2.510 0 1 FFAF CCc1c(C)[nH]c2cc([C@@H]3CCN(Cc4ccncc4C)C3)nn2c1=O 19521725 AYQNKECZBQFHJQ-MRXNPFEDSA-N 351.454 2.586 0 1 FFAF CC(C)n1nc(NC(=O)c2cc(-c3ccccc3)on2)c2c(N)ncnc21 1772613599 ZZTXWARDEWQAKL-UHFFFAOYSA-N 363.381 2.897 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCCN(C)C)c2cn1)c1ccccc1 1772615623 OTXMKWZJLHIHMS-CYBMUJFWSA-N 368.441 2.781 0 1 FFAF O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCSCC1 12707181 XVPXFZFUTRFWCL-UHFFFAOYSA-N 374.506 2.655 0 1 FFAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1CO 1857577095 USBMVYFHVVYEON-UHFFFAOYSA-N 374.510 2.763 0 1 FFAF Cc1ccc(OCCn2ccc(=O)n(CCc3ccccc3)c2=O)cc1 4784357 JPLBFFXIKUKJTP-UHFFFAOYSA-N 350.418 2.640 0 1 FFAF CN(C)c1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C 101210485 HUCKXVMPBACWLN-UHFFFAOYSA-N 351.406 2.587 0 1 FFAF O=C(C[C@@H]1C(=O)OC[C@@H]2CCCCN21)Nc1ccccc1C(F)(F)F 59866951 NWFBQPPWHUJOKI-SMDDNHRTSA-N 356.344 2.814 0 3 FFAF COC1(C(=N)/C=C(\O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 100936949 AYPQDJIHDUXYPT-MICBOSIMSA-N 372.421 2.670 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccccc2)=N1 101349134 JDDLKQYBXGUQKD-ZBFHGGJFSA-N 360.369 2.643 0 1 FFAF COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc2[nH]c(=O)c3c(c12)NCCC3 118734026 IDPFIWDWDZPGKK-CHWSQXEVSA-N 357.454 2.504 0 1 FFAF COc1ccc([Si](C)(C)c2cc(OC)c(OC)c(OC)c2)cc1OC 210382454 BKQXVLUNWDHMGA-UHFFFAOYSA-N 362.498 2.552 0 1 FFAF NC(=O)c1cccc2[nH]n(C3CCN(CC4CCCCC4)CC3)c(=O)c12 146849632 HTUDQMHOVIPNPF-UHFFFAOYSA-N 356.470 2.646 0 1 FFAF COc1cc2c(cc1O)[C@@H](CO)[C@@H](c1ccc(CCCO)c(OC)c1)O2 85996128 DTWUHAOZSGPUHQ-FOIQADDNSA-N 360.406 2.544 0 1 FFAF biogenic CS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCCC3)n3ccccc23)cc1 299851695 IMYKVKQKLWTHKT-UHFFFAOYSA-N 369.446 2.641 0 1 FFAF Cc1cccc(NC(=O)Cc2nc3nc(Br)c[nH]c-3n2)c1C 587238668 FJCQTHVHNIMENP-UHFFFAOYSA-N 360.215 2.865 0 1 FFAF Oc1ncnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183586 FCHHCDRYDYYFER-SNAWJCMRSA-N 364.146 2.834 0 1 FFAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587444041 RGIRBKZCGYYICU-KUHUBIRLSA-N 354.358 2.979 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cncn1C)CC2=O 587469875 HVTJVDZELZUWCL-FQEVSTJZSA-N 372.421 2.892 0 1 FFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(N)=O 587864231 HWQIKRGGCWXBME-UHFFFAOYSA-N 355.316 2.873 0 1 FFAF COc1ccc(CCNCCOc2cc(F)cc3c2OCC[C@@H]3O)cc1 13780391 CGLIIBDLSLHMID-SFHVURJKSA-N 361.413 2.861 0 1 FFAF CC(C)NC(=O)N1CCc2c(c(COc3cc(F)cc(F)c3)nn2C)C1 1857594820 PCNFAMHLBRQKPJ-UHFFFAOYSA-N 364.396 2.753 0 1 FFAF COc1ccc2nc3n(c2c1)[C@H](CNCc1ccc2c(c1)OCO2)COC3 2356358607 SNRVGFHZOCXNSG-CQSZACIVSA-N 367.405 2.635 0 1 FFAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1[nH]c(CC)nc1Cl 103288616 UZJCXNPNICABCP-ZDUSSCGKSA-N 367.833 2.596 0 1 FFAF NC(=O)C1CCN(C(=O)C2=Cc3sc4c(c3CS2)CCCC4)CC1 20557572 BIXFCKKPZBEISG-UHFFFAOYSA-N 362.520 2.939 0 1 FFAF COc1ccc(CNC(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 74377368 RQSIPQVANCMYJW-OALUTQOASA-N 365.433 2.948 0 3 FFAF O=C(NC/C=C/S(=O)(=O)c1ccccc1)c1cccc2cccnc12 1911580481 PLMKTJPKOBJPQQ-MKMNVTDBSA-N 352.415 2.952 0 1 FFAF O=S1(=O)N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1 49110670 VRQBYXDBZXNLRA-UHFFFAOYSA-N 357.907 2.583 0 1 FFAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 96286730 YAIXJKZQJNOCPD-CLWJZODNSA-N 374.868 2.538 0 1 FFAF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@]1(O)C2=O 238751417 PEWPCEZVXROTHG-MSIVRNRISA-N 350.411 2.553 0 1 FFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 261170552 SWNDMOZYPNNKSE-CTYIDZIISA-N 364.471 2.647 0 1 FFAF NCCNc1cccc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)n1 261148347 OJGZYVWJKNMWCA-JOCQHMNTSA-N 361.877 2.883 0 1 FFAF Cn1cnc2cc(CNc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)ccc21 473165278 AYJQYBUQWKNRMX-UHFFFAOYSA-N 360.425 2.741 0 1 FFAF C[C@@]1(c2cccc(O)c2)O[C@@H]2N3[C@H]1OC[C@H]3O[C@]2(C)c1cccc(O)c1 299829005 JSZCJTFFFLFQBJ-JAZQRGJZSA-N 355.390 2.599 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C(=O)O)cccc21 587484991 PETWVFPMDXKWKF-FQEVSTJZSA-N 367.357 2.856 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1F)[C@@H](C2)C3=O 587426833 QJXJNQXZZQVJAJ-SCLBCKFNSA-N 362.378 2.727 0 1 FFAF O=C(c1cccnc1F)c1c(CO)oc2cc(Br)cnc12 587275630 CPGUCKICCJAKKY-UHFFFAOYSA-N 351.131 2.848 0 1 FFAF O=C(O)C[C@H](O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586888092 HKWJUADZROJLLI-ZCFIWIBFSA-N 367.121 2.722 0 1 FFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N(C)C)c2cn1)c1ccccc1 1772630380 XBJMKKFCHLRPGH-OAHLLOKOSA-N 354.414 2.533 0 1 FFAF C[C@@](CO)(Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 2356315369 RGVFPSRGEDEIBA-IERDGZPVSA-N 372.417 2.536 0 1 FFAF CCCN1CCN(c2ncnc3sc(C(=O)NC(C)C)c(C)c23)CC1 21926782 VWSPJPIQUUWBGB-UHFFFAOYSA-N 361.515 2.670 0 1 FFAF c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(CO[C@@H]2CCCCO2)nn1)C3 64528296 RWDMJAICFFWIPX-VBKZILBWSA-N 367.453 2.517 0 1 FFAF CNC(=O)[C@H]1CCC[C@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132505 FMHSEGKHJWNGGA-LSDHHAIUSA-N 350.426 2.526 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 61904084 KPJQAKCEEBKRAG-OAQYLSRUSA-N 354.450 2.845 0 3 FFAF CC(=O)N1C[C@H](C)Sc2cc(S(=O)(=O)NCc3ccco3)ccc21 34145536 YDTTYBPEHHSZAR-NSHDSACASA-N 366.464 2.605 0 1 FFAF C[C@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O 36388985 GMTJRWMLUIEDSJ-COIBJMALSA-N 362.429 2.639 0 3 FFAF CC(=O)N1c2ccccc2[C@@]23CCN(C)/C=C4\[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 238742458 XZIACDKZDCVKKQ-SXWDBYEWSA-N 366.461 2.503 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC(C)=O)C[C@H]2CCC[C@H](C)[C@@]12C 238735657 IUCVWQKXCCLBGN-XZONLQQJSA-N 350.411 2.897 0 1 FFAF N[C@H](CCc1ccncc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 299839667 SXZZIOOVCGCZRP-SJORKVTESA-N 362.366 2.513 0 1 FFAF OC[C@H]1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1 299871731 ZCQZGZABGOPUNK-LBPRGKRZSA-N 354.458 2.518 0 1 FFAF Nc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1N 587149148 MAQAFSDHCOETQD-JTQLQIEISA-N 357.364 2.522 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 587392036 QKNXJGJTHZQKQZ-OAQYLSRUSA-N 362.385 2.887 0 1 FFAF CC1(C)C[C@@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596262 QFQBCCGTZCBHKZ-OXJNMPFZSA-N 353.374 2.781 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NC[C@H]3CCCO3)nc1)O2 587387104 NCTGUXHZBAKEEU-CXAGYDPISA-N 354.410 2.665 0 1 FFAF COCCN1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587768761 MKKHRTXVKXZNLT-MEDUHNTESA-N 357.267 2.670 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 587392837 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COc1ccc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)cc1OC 767841 XGADFVZPJOFDFC-OAQYLSRUSA-N 368.433 2.803 0 1 FFAF COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCc1ccc(OC)cc1 20489542 LZSROOLGZKYPTE-UHFFFAOYSA-N 368.389 2.860 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)c1 61905089 MOJOGGXUFPFVIF-GOSISDBHSA-N 351.406 2.537 0 3 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@@H](Cc2ccccc2)O1 29315343 RIVVOSUHDSFWNP-FXAWDEMLSA-N 373.449 2.656 0 1 FFAF CC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218977599 ZODXTERUIKRCKD-VQPPSCEASA-N 370.493 2.702 0 1 FFAF O=C1[C@H]2CCCN2C(=O)N1CCCCCNC[C@H]1CCc2ccccc2O1 73277201 ZWHWNKJCWDLNRI-QZTJIDSGSA-N 371.481 2.567 0 1 FFAF COc1ccc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1O 14760255 JSRLRXYURNHHDK-GJZGRUSLSA-N 356.374 2.704 0 1 FFAF biogenic CC[C@H](C)c1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231323 DDSRGJWSBKGMMI-AWEZNQCLSA-N 352.438 2.831 0 1 FFAF COc1cc2c(cc1OC)[C@H](Cc1ccc3c(c1)OCO3)N(C=O)CC2 40556647 AKVKUGHGZJTTBV-INIZCTEOSA-N 355.390 2.731 0 1 FFAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253639121 XXYXPBFLSNTPKS-NUEZBCEVSA-N 369.461 2.529 0 1 FFAF COc1ccc(C[C@@H]2COc3c(OC)c(OC)cc(O)c3C2=O)cc1O 473090291 OFVGXENPZWDWKV-LLVKDONJSA-N 360.362 2.558 0 1 FFAF COC(=O)C[C@H](C)Cc1nc2cccc(I)c2[nH]1 587787917 XUSLPOBZYYECJK-MRVPVSSYSA-N 358.179 2.909 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([C@H](N)N=O)cc3[nH]1)C2 587246028 CMUZDKROQWHALA-MJGOQNOKSA-N 351.410 2.638 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)Oc2ccccc21 587489197 BGWGBAMXPTWAKO-LJQANCHMSA-N 374.414 2.928 0 1 FFAF Cn1ncc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C1CC1 962981687 VPZXLXNFUVZKQQ-IUODEOHRSA-N 367.783 2.917 0 1 FFAF Cc1cc(Br)cnc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909221 KUHZODOAEWIFIQ-SWLSCSKDSA-N 365.202 2.980 0 1 FFAF CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCCc1ccccc1 13589431 RFEWJFWVZNENBU-INIZCTEOSA-N 362.470 2.998 0 1 FFAF O=C(O[C@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 169327496 OHNAGFMKBFJYRG-OLZOCXBDSA-N 367.188 2.570 0 1 FFAF COc1cccc2c1-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2 169704386 UWHHZZYDIJQVCB-UHFFFAOYSA-N 360.421 2.760 0 1 FFAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccccn4)c3)c2c1 164762621 MVGSHUAWAAJEKC-UHFFFAOYSA-N 371.400 2.905 0 1 FFAF CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@H]12 2356348768 FABFALSQMFMAOA-XRULBBBTSA-N 364.482 2.519 0 1 FFAF COc1ccccc1OC[C@@H](O)CCN1CCN(c2ccccc2)CC1 29481057 BAWIGKXFHFQKOL-IBGZPJMESA-N 356.466 2.647 0 1 FFAF COc1ccc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 26571493 HVRXOYQRUPGQGT-INIZCTEOSA-N 369.417 2.863 0 1 FFAF NC(=O)C=CC=C[C@@H]1C=C[C@@H]2C=C[C@@H]3O[C@H](C=CC=CC=CC(=O)O)[C@@H]1[C@@H]32 2356552036 AQEGYTZKJNBFQS-HLDKGHONSA-N 365.429 2.709 0 1 FFAF CC(C)c1cc2c3c(c1O)OC(=O)C[C@]3(C)[C@@H]1[C@@H](OC(=O)C1(C)C)C2=O 1623776 BRVFBXOJAHGUQS-QKLQHJQFSA-N 358.390 2.847 0 1 FFAF biogenic CN1C(=O)[C@](c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N 72183326 VCKGJRZFNMIOEB-LJQANCHMSA-N 366.421 2.980 0 1 FFAF Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O 45498036 UECVBKMBWUTOOU-DBOLQNLKSA-N 352.478 2.836 0 1 FFAF C[C@@]1(CO)C=Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1 140033418 LARJNWRIRVCJKK-FQEVSTJZSA-N 368.341 2.733 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@](OC)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 238769149 IPJDRQJBSLBGOM-RBDUFBIBSA-N 352.434 2.974 0 1 FFAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1C[C@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 238752427 NJKMRMVURXZVOC-ZRHPZAPZSA-N 358.390 2.534 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NCc1ccccc1 299839989 UGNNLUQGVANJGF-UHFFFAOYSA-N 363.797 2.787 0 1 FFAF COc1cc(/C=C/C(=O)Oc2ccc(O)cc2C(C)=O)cc(OC)c1O 653912176 LTJLTFZUBAIKDE-QPJJXVBHSA-N 358.346 2.936 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCN(C)C1=O)[C@@H](C2)C3=O 587435007 CTKKJQJZTNTJQJ-JLHGSKIFSA-N 363.413 2.816 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587772460 VNRGWILFJKEGKC-MHPDULNOSA-N 369.278 2.545 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799808 YUNUBYZPVXOPIJ-ZXLZKYRFSA-N 355.251 2.864 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 587558360 REVSEIOGTOWEIS-WCQYABFASA-N 372.425 2.865 0 1 FFAF C[C@H](NS(=O)(=O)c1ccc(OC/C(F)=C/CN)cc1)c1ccccc1 116195938 ZVFVOMFIUGHFMF-HNDQUVLASA-N 364.442 2.917 0 1 FFAF O=C(N/C(=C\C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 6111030 UUIGXPLOPDTINR-AUIRIZQPSA-N 362.429 2.873 0 1 FFAF COC(=O)C(C(=O)OC)[C@@H]1c2ccccc2C=C(C2CC2)N1C(=O)OC 13815291 XTHMLNOEULKFJN-INIZCTEOSA-N 359.378 2.523 0 1 FFAF O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12 169699712 COKCJGZKKCESIU-UHFFFAOYSA-N 362.385 2.892 0 1 FFAF COCCn1cc(-n2c(=O)[nH]c3ccccc32)cc(-c2ccccc2)c1=O 205859664 XHRDHPRZKQTZDI-UHFFFAOYSA-N 361.401 2.794 0 3 FFAF CCN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 3637757 ICEFTLYIAANHCD-ZDUSSCGKSA-N 373.428 2.511 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049309 OVKCQZKYKYWDLW-QBIMZIAESA-N 357.479 2.906 0 1 FFAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCOCCO 4212655 VGJDTVYZPXUESN-OALUTQOASA-N 362.470 2.826 0 1 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 104091803 FIQJVDDPBCHUFD-CQSZACIVSA-N 371.824 2.951 0 1 FFAF O=C(NC[C@@H]1CCCCN1)c1ccc(O)c2nc(-c3ccccc3)[nH]c12 118668443 HHWUJDYTPHLTIF-AWEZNQCLSA-N 350.422 2.807 0 1 FFAF O=C(c1cccs1)c1c2cc(F)c(Cl)cc2n2c(=O)[nH]c(=O)oc12 29475295 HOMKRNDTLYUMKY-UHFFFAOYSA-N 364.741 2.819 0 1 FFAF Cn1c(-c2ccc(OCCN3CCOCC3)cc2)cc(=O)c2ccccc21 66157445 ZFKSUZAYEUQQQN-UHFFFAOYSA-N 364.445 2.917 0 1 FFAF CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 61929947 JHESQKWJKRGYJB-GFCCVEGCSA-N 358.360 2.964 0 3 FFAF COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2)c2occc12 64527642 XEYFMDOPHFVJHL-UHFFFAOYSA-N 363.347 2.646 0 1 FFAF COc1cc(O)c2c(c1)C=CCC[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O 2356709103 OZWMOQDGIWAGRK-RCBQFDQVSA-N 350.411 2.645 0 1 FFAF O=C1Nc2ccc(Br)cc2[C@@]1(O)c1c[nH]c2c(O)cccc12 2356789169 CZEYDJOIQBTASB-MRXNPFEDSA-N 359.179 2.824 0 1 FFAF CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O 40848024 VZTHCZZPPWXYJE-UHFFFAOYSA-N 369.421 2.887 0 1 FFAF COc1cc(C(=O)NCc2cccc(C(=O)O)c2)ccc1-c1cn[nH]c1 221722483 FPNYVINXEGJSCQ-UHFFFAOYSA-N 351.362 2.714 0 1 FFAF CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 40165305 AOPOCGPBAIARAV-RQMPDHPVSA-N 350.455 2.905 0 1 FFAF in-man N=C(N)Nc1ccc(OCCCCCOc2ccc(NC(=N)N)cc2)cc1 45189639 UHWAQUGEHBRLRQ-UHFFFAOYSA-N 370.457 2.925 0 1 FFAF CCc1c(COC(=O)NC)c(COC(=O)NC)c2n1-c1ccccc1C2 43071260 GLXLBHFZTAGCRI-UHFFFAOYSA-N 357.410 2.656 0 1 FFAF COCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 49070338 XVVPYEHDUIZLSH-UHFFFAOYSA-N 374.506 2.807 0 1 FFAF O=c1[nH]c(-c2ccc(NS(=O)(=O)c3cccs3)c(O)c2)cs1 95601508 IRHWTKUUHQJNEM-UHFFFAOYSA-N 354.434 2.671 0 1 FFAF CC[C@H]1CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 238760192 LSPIQIBHDWRLMO-ALWUSEEYSA-N 356.466 2.598 0 1 FFAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@H]1CCC2=O 261494711 QIJNCQNMZUTUIF-LZDVPDMXSA-N 366.435 2.999 0 1 FFAF endogenous,world CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCc1cccc(Cl)c1 299850348 AUHJTBNCBWXACT-IBGZPJMESA-N 371.824 2.565 0 1 FFAF Cc1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc2c[nH]nc12 473150842 MUXQLNFGXDGLJG-UHFFFAOYSA-N 356.426 2.564 0 1 FFAF O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)c(F)c2)s1 653725025 NHPBGYJBMORPGF-UHFFFAOYSA-N 362.408 2.802 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\S(C)(=O)=O)nc2c1 586923573 QMRQLLNDAPOWKV-PLNGDYQASA-N 373.228 2.517 0 1 FFAF CCOC(=O)CCC(=O)c1c(CO)oc2cc(Br)cnc12 587273951 QHHPOFCNNDTENR-UHFFFAOYSA-N 356.172 2.609 0 1 FFAF C[C@H](F)[C@@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 587126767 YJGAQLVPJAMQCK-WVZVXSGGSA-N 352.005 2.841 0 1 FFAF O=C(O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O 587945546 GCXXJTHCSQHZEL-UHFFFAOYSA-N 362.401 2.578 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587058454 GPMRHDIUVZPPLZ-OAHLLOKOSA-N 365.842 2.548 0 1 FFAF CC(C)OC(=O)C1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC(F)(F)C1 587131534 MMSBSVJJDRLKND-UHFFFAOYSA-N 372.393 2.585 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)C2)N1 587844732 OWDAUFCRIDPDPH-OTYXRUKQSA-N 362.264 2.526 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cnc(N)c(Br)c1)[C@@H](C2)C3=O 587414520 WAWXGUOUCKFUAF-BONVTDFDSA-N 361.195 2.924 0 1 FFAF COC(=O)/C(=C\C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]31C)CO2)[C@@H]1CO1 13457011 DQKIVJKTAXWJRV-CDAGZRQYSA-N 364.482 2.857 0 1 FFAF COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(OC)cc1 13472843 LZXSTYYHVULMPO-UHFFFAOYSA-N 373.430 2.888 0 1 FFAF COc1ccc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)nc4c3)c2n1 169706543 FVPPAKFCBJHPMM-UHFFFAOYSA-N 373.376 2.797 0 1 FFAF O=C(O)Cc1c2n(c3cc(F)ccc13)C[C@H](Nc1ncc(F)cn1)CC2 203538920 UQFHBLFGFMVVQE-GFCCVEGCSA-N 358.348 2.764 0 1 FFAF COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C 1857747980 MTERRCUWEHAXPL-NZIWOHBDSA-N 362.466 2.893 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCOC 4153366 VIQQNXGYXJGVEN-HKUYNNGSSA-N 372.421 2.923 0 1 FFAF CCCCCCOC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)nc[nH]c32)O1 103297307 CTRRERUHCBIJKK-QWHCGFSZSA-N 364.402 2.531 0 1 FFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@H](CC(=O)C[C@]3(C)CO)[C@@H]2CC1 2356580223 NHDNEERFVCQDDL-COXXTLHVSA-N 364.482 2.641 0 1 FFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@H](NCC4CCCCC4)CO[C@H]23)n1 2356844676 NXWGAMKHRLVUSY-PSBWJHGTSA-N 374.529 2.891 0 1 FFAF Cc1ccc([C@@H]2CC(c3ccc(S(C)(=O)=O)cc3)=NN2C(N)=S)cc1 66259319 UISAGCHZHVJOQK-KRWDZBQOSA-N 373.503 2.793 0 1 FFAF CNC(=O)c1cc(C(=O)NC2CC2)cc2c1O[C@H](CF)[C@H]2c1ccccc1 1911583684 IEXNHDSBSIBGFK-MSOLQXFVSA-N 368.408 2.801 0 1 FFAF COc1cc2c(cc1S(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 49785116 AEKLOSHWBXMALL-QPWUGHHJSA-N 363.479 2.768 0 1 FFAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2ccccc2OC1 1911576516 LEYCLMJVTHBZIK-HNNXBMFYSA-N 364.781 2.808 0 1 FFAF C[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15219763 SUVZUTHVKIBYOH-KZULUSFZSA-N 358.401 2.852 0 1 FFAF biogenic CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 40390931 JOHQJQNTZCZUKW-YBSJANCESA-N 372.339 2.966 0 1 FFAF CNc1ccc2c(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)nc2c1 40900720 CLDCFWUIESBZIK-UHFFFAOYSA-N 362.393 2.969 0 1 FFAF CCN1CCN(c2ncc(C)c(NCCc3ccc(OC)cc3)n2)CC1 82202671 GWJLQSNHOAXIFW-UHFFFAOYSA-N 355.486 2.590 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@H]4c5ccccc5N[C@H]4[C@H]3C[C@H]12 238782022 PEYPCTZOXFDFFW-JNJCUVBRSA-N 354.450 2.750 0 1 FFAF Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(C)cc1N1CCCC1=O 95590356 XAKBMVVEBVZAFE-OAHLLOKOSA-N 350.484 2.993 0 1 FFAF CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 250687235 HHSFJHANGGIQHQ-QMLHBMHXSA-N 356.466 2.752 0 1 FFAF COc1ccc(CN2CC[C@@H](c3nc4c(C(N)=O)cccc4[nH]3)C2)cc1 51048303 DGSOEUUVLYIENB-CQSZACIVSA-N 350.422 2.660 0 1 FFAF biogenic CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F 299837653 OYAGCYYSLTYCSB-UHFFFAOYSA-N 369.433 2.967 0 1 FFAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)s1 587014160 HTPBJKAGAGZPKB-SECBINFHSA-N 366.468 2.740 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617209 JDFLXVDYTSEEFG-LJHODMEESA-N 372.398 2.771 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@@H]1C(=O)OC)CC2=O 587476608 QBSDTPBQMHQWFD-QRWLVFNGSA-N 361.438 2.564 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn(C)c2=O)N1 587775113 QNKGPUJNRWELHG-PSLIRLAXSA-N 351.219 2.911 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1cnccn1)([C@@H](C)C(=O)OC)CC2=O 587490066 OJBISMQVDKWKKY-FKIZINRSSA-N 370.405 2.805 0 1 FFAF CN1CCN(c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)CC1 586887563 UYDMSYMJMMMZEA-PMPSAXMXSA-N 350.466 2.954 0 1 FFAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O 587388398 BROZEOPVFMHFJA-QGZVFWFLSA-N 370.405 2.547 0 1 FFAF COc1ccc(OC)c(-c2nc3c(S)nc(S)nc3[nH]2)c1OC 587926648 KTADFYAGXVAJEE-UHFFFAOYSA-N 350.425 2.623 0 1 FFAF COC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353666 ZSAAHPUVNCJHIS-ICSRJNTNSA-N 374.364 2.839 0 1 FFAF Cc1nccc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 587182432 OPVMIDYSSLWIBW-VIFPVBQESA-N 367.194 2.985 0 1 FFAF COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)c(F)c1O 1857571012 SZMJCJJLEUHUGG-DAXSKMNVSA-N 362.176 2.969 0 1 FFAF COC(=O)C[C@H]1Oc2ccccc2-c2cc3c(c(C)c21)N(C)C(=O)C3=O 1772593889 POWPDPUPJZTFIQ-OAHLLOKOSA-N 351.358 2.818 0 1 FFAF CC(C)(C)c1cc(Cn2cc(CCNC(=N)N)nn2)cc(C(C)(C)C)c1 1772619761 AVNQSACDNNIERX-UHFFFAOYSA-N 356.518 2.947 0 1 FFAF NS(=O)(=O)c1ccc(-c2nn3cc(-c4ccccc4)nc3s2)cc1 1772593301 BVMZNBQRXKVSIF-UHFFFAOYSA-N 356.432 2.772 0 1 FFAF O=C(CCc1cccnc1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 11970780 KSFCPAATOCWZRO-KRWDZBQOSA-N 360.417 2.591 0 1 FFAF CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 14824988 SLWSWKGGZQCLDU-SFLUDCRBSA-N 373.449 2.846 0 1 FFAF endogenous,in-man CCN(CC)CC(=O)Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 169338236 OLUXLGVTBBWECY-NRFANRHFSA-N 351.450 2.729 0 1 FFAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@H]1N=CN2CCc1c[nH]c2ccccc12 1857574349 MNUXZVFMAVGUKB-RTWAWAEBSA-N 371.444 2.520 0 1 FFAF O=C(c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)N1CCOCC1 6772116 CKZJPBDKHYGJFY-QHCPKHFHSA-N 353.827 2.713 0 1 FFAF CN1CCN(c2nccc(-c3cnn(-c4ccccc4Cl)c3)n2)CC1 20450101 OFSJJGDLMHLOKN-UHFFFAOYSA-N 354.845 2.735 0 1 FFAF COc1c(O)c2c(c(OC)c1OC)O[C@H](c1ccccc1)[C@H](OC)C2=O 2356605822 SNDDQHPBNHSNNS-GDBMZVCRSA-N 360.362 2.749 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CC[C@@H](O)[C@](C)(O)CCC=C(CC1)C(=O)O2 2356823668 GNLWSSKGSXRXRI-AFYVEPGGSA-N 352.471 2.638 0 1 FFAF O=C(NCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1 64527531 ISOUPXKKYOUPJK-UHFFFAOYSA-N 368.412 2.519 0 1 FFAF COc1cc(OC)c2c(c1)[C@H](Cc1cc(OC)c3c(c1)OCO3)OC2=O 15117889 KKJXWSDUHIOQNM-ZDUSSCGKSA-N 358.346 2.895 0 1 FFAF biogenic CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 261497623 OYPPJMLKAYYWHH-BQWBUDIWSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cc1 263590267 FSDCDWJOEWACKS-MSOLQXFVSA-N 356.447 2.673 0 3 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)C 586932114 APVOQDVRIBTUSG-CQSZACIVSA-N 365.459 2.561 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587849789 NUMRTDFFKOUZGQ-YMTOWFKASA-N 364.280 2.772 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587853595 AIZHQRYEKSQORS-KPCOEVGBSA-N 374.275 2.854 0 1 FFAF N=C(N)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983558 DHUDHQCRAFUINN-GFCCVEGCSA-N 358.243 2.852 0 1 FFAF Oc1nc(O)c2ccc(-c3ncc(Br)cc3Cl)nc2n1 587365964 JBGUVDLODJYGAQ-UHFFFAOYSA-N 353.563 2.914 0 1 FFAF CC[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587618285 TXMDSZLOKYRLGH-RISOHXOYSA-N 352.342 2.984 0 1 FFAF CC(C)(C)OC(=O)Cn1cccc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962895953 JVXJKCASMXXIPT-YJBOKZPZSA-N 374.412 2.657 0 1 FFAF Cc1oc(CCC(=O)O)cc1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962900437 QMVJKASDHIFXJI-KXBFYZLASA-N 361.369 2.607 0 1 FFAF CC1(C)[C@@H]2CC[C@@]1([C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C(=O)C2 169333726 VDGABWROYPUGDF-VMRPVKRXSA-N 360.473 2.704 0 1 FFAF CC(=O)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1 1857583013 FULJTZHYLRICKI-UHFFFAOYSA-N 354.454 2.660 0 1 FFAF CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)cc2)n(C)c1C 1566167 FOZTXFYRZZNCMR-UHFFFAOYSA-N 363.389 2.852 0 1 FFAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4043503 VPIMZLABNPTKTM-IEBWSBKVSA-N 371.437 2.590 0 1 FFAF CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1=O 4078125 MTUQHNGGEFFKKD-XYJFISCASA-N 373.497 2.570 0 1 FFAF C[C@H](CCc1ccccc1)NC[C@H](O)c1cc(C(N)=O)c2[nH]ccc2c1 6036496 DEXHZSZLIVQAPC-KUHUBIRLSA-N 351.450 2.911 0 1 FFAF NC(=O)C12CC3C[C@@H](C1)C(N1CC[C@H](Cc4ccccc4)C1=O)[C@@H](C3)C2 101073148 GRPWDRHUGPCUBI-UFRDSMAPSA-N 352.478 2.758 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@H](C2)N(CC2CC2)CC[C@]314 101340141 YERVYLQWQFZZOC-CDXGVRFYSA-N 351.446 2.569 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3C2)n1 116822689 KYQDZVMSJLXAST-OKILXGFUSA-N 358.392 2.580 0 1 FFAF CN(c1ccc(Br)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 114365562 GKWPRMUJKHEUNS-GFCCVEGCSA-N 373.258 2.831 0 1 FFAF O=C(O)c1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)C2 27332177 MEQAOOCHTHQKRD-NSHDSACASA-N 365.838 2.732 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NCc2cn(C)c3ccccc23)cc1 2356616404 VWFVJDSPVKKJKD-JKLQHZFJSA-N 366.461 2.554 0 1 FFAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2C[C@H]3[C@H]1[C@@H]([C@@H](C)O)C2 2356733660 MPZAXUXGFQVJBO-QVOXGMNZSA-N 356.466 2.916 0 1 FFAF Cn1c([Si](C)(C)C)c(C2=NC[C@@]3(CN4CCC3CC4)O2)c2ccccc21 170194880 HEUINOGGWVVKAC-NRFANRHFSA-N 367.569 2.965 0 1 FFAF CCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1 71319128 RRVTZNDWIIXVHH-UHFFFAOYSA-N 350.418 2.864 0 1 FFAF O=c1[nH]cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc12 139674769 SBRYPIABEWNSAA-UHFFFAOYSA-N 354.373 2.619 0 1 FFAF CC(=O)Nc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1 40429285 JUJBQKWYSXKUPN-UHFFFAOYSA-N 362.393 2.552 0 1 FFAF O=C(Nc1ccn(S(=O)(=O)Cc2cccc(F)c2)c1)c1ccccn1 198486091 IJXSIQBKGMIWSH-UHFFFAOYSA-N 359.382 2.653 0 1 FFAF COc1c(O)c2c(c3c1[C@@H](CO)OC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 238769284 VFAWCZCJUTVMRS-IDFMNXDXSA-N 374.433 2.814 0 1 FFAF Cc1cc(C)cc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1 95591743 GXGIYMBWRUGTCN-UHFFFAOYSA-N 350.418 2.754 0 1 FFAF CC(C)NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 149196422 XKGQECQXYZMTBW-UHFFFAOYSA-N 358.417 2.909 0 1 FFAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 95600052 FSEFTGPYDVNYGC-SFHVURJKSA-N 357.431 2.922 0 3 FFAF CC(C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 238788139 GAYGJVDTHPROFS-MRXNPFEDSA-N 354.358 2.946 0 1 FFAF NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]ccc23)cn1 653845445 HVHIYKIHHXVIGO-HNNXBMFYSA-N 353.430 2.895 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc(COCC(=O)O)[nH]c3c2)cc1 587562847 HCLPDFYVFMCOFI-UHFFFAOYSA-N 356.334 2.743 0 1 FFAF Nc1cnc(-n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 587650762 CRHDTRVYXNFYLS-UHFFFAOYSA-N 351.591 2.779 0 1 FFAF COc1ccc(OC)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1OC 587927439 QNIPFOMBNSNXNB-UHFFFAOYSA-N 355.394 2.958 0 1 FFAF CC(=O)N(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O 587570431 IQRWMBHJXYQSEF-YLJYHZDGSA-N 369.373 2.508 0 1 FFAF C[C@@H]1CNC(=O)C[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962648315 WXXLISUSRDDKJY-LLBVYWAGSA-N 361.489 2.785 0 1 FFAF Cc1cc(Br)cc2c1NC(=O)[C@@]21NCCc2ccc(O)cc21 963351581 GXNKZBIECWFFIA-KRWDZBQOSA-N 359.223 2.805 0 1 FFAF C[C@H](O)[C@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976808 OHNFAQAUHXRIHL-MWTRNUEPSA-N 373.808 2.903 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)O1 13517455 BVPYVSBOBAVJSC-OXQOHEQNSA-N 359.422 2.786 0 1 FFAF NCCNc1cccc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)n1 169703718 OJGZYVWJKNMWCA-BETUJISGSA-N 361.877 2.883 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@H]3N)cc3c2C(=O)NCC3)c1 1857574018 MCKWNSLSBBIMNO-IAGOWNOFSA-N 365.481 2.523 0 1 FFAF CCc1c(-c2ccc(N3CC[C@H](N)C3)cc2)nc(O)c2c(O)nsc12 1857581844 KZTIOWHLMDBRAN-NSHDSACASA-N 356.451 2.869 0 1 FFAF C[C@@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1cccc(Cl)c1 772233 QYNZKPVAEQBLHS-YLJYHZDGSA-N 372.852 2.800 0 1 FFAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)Nc2ccc(F)cc2)Oc2ccccc21 2356301944 IJCLKWBGRVFPDX-GOEBONIOSA-N 355.369 2.856 0 1 FFAF Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc3ccsc3c(=O)o2)cc1 3633112 STCREHGGWMCNRS-JTQLQIEISA-N 350.421 2.597 0 1 FFAF CSc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4564640 FFYWQMPHBRVHHS-OGRXGRENSA-N 356.447 2.544 0 1 FFAF CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C2(CCCCC2)OC1=O 6746405 GVWCPVWDPNNBOZ-UHFFFAOYSA-N 354.450 2.911 0 1 FFAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1 103252453 WUBIIGDBLTUSQG-DLBZAZTESA-N 374.400 2.909 0 1 FFAF O=S(=O)(Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1)c1ccccc1 103272258 OISWPUOQBBLOJT-MRXNPFEDSA-N 371.462 2.615 0 1 FFAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 103284953 JNBTXWKHPDYFOE-MRVPVSSYSA-N 368.827 2.539 0 1 FFAF CC(C)c1n[nH]c2c1CN(C(=O)CCc1nc(-c3ccco3)no1)CC2 23367898 FXQWIBHYTAWYKU-UHFFFAOYSA-N 355.398 2.694 0 1 FFAF COc1cc(OC)c2c(c1)O[C@H]1c3cc(OC)c(OC)cc3CO[C@@H]1C2=O 2356570430 IDMPXVKBMCVCBV-VQTJNVASSA-N 372.373 2.936 0 1 FFAF O[C@H]1C[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(CC2CC2)C1 2356847044 OTDLWYJTQXSGAD-DZGCQCFKSA-N 351.809 2.971 0 1 FFAF NCCNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 35000155 RQOKMHCTFHXXMM-UHFFFAOYSA-N 366.446 2.920 0 1 FFAF COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OC 14436523 XJMLRDUBVCDIKJ-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1 72106330 WBWFDFRZXABYFZ-QGZVFWFLSA-N 363.279 2.987 0 1 FFAF COc1cc2c(cc1OC)[C@H]1Cc3c(cc(OC)c(O)c3C=O)CN1CC2 14713291 AGSHWMNEBIWZNQ-QGZVFWFLSA-N 369.417 2.886 0 1 FFAF biogenic CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 85758512 QKXSRJAHTPTJNG-RLZZYLKBSA-N 368.514 2.916 0 1 FFAF in-man Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@H](C)c1ccc(F)cc1 82203799 FOQIGRVAEINJHF-HIFRSBDPSA-N 357.433 2.799 0 1 FFAF CCOc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(CC2)CO3)c1 220717674 ZBXSCAQSUCUQMO-FQEVSTJZSA-N 351.406 2.860 0 1 FFAF CCCCOc1cccc(C(F)(F)CN(CCOC)CC(=O)N(C)C)c1 148700804 QCVFELWQJLUVRQ-UHFFFAOYSA-N 372.456 2.994 0 1 FFAF O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)cc1 42251333 DLWBYNVGFLTABL-KRXBUXKQSA-N 363.366 2.956 0 1 FFAF COC(=O)c1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 587234257 YNGVQHREUMXCGZ-WDEREUQCSA-N 360.414 2.905 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 586939721 RYOVJZLNQPLFHA-NSHDSACASA-N 360.439 2.710 0 1 FFAF COC(=O)c1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cn1 587174075 LMNIRRAPRPENFX-SFHVURJKSA-N 355.325 2.512 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Nn3cccc32)N1 587767184 ADGBAAIBSJAMTB-ABKXIKBNSA-N 364.218 2.641 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753251 AQJCOHPNCKMREJ-UOWDBTKRSA-N 353.239 2.836 0 1 FFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3ccccn3n2)N1 962976742 OFYLTOZMQNUHNZ-BBRMVZONSA-N 363.751 2.954 0 1 FFAF COc1ccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1CO 963029082 MWCRLZVBZGQDRG-ZSEKCTLFSA-N 352.434 2.504 0 1 FFAF C/C=C(/CO)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@H]3N2C(=O)[C@@]13COC 1772643324 NVGKVXIJMVITQP-BAKJLPQJSA-N 352.434 2.567 0 1 FFAF CN1O[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1F 205221710 RRUGHWQTTOMWIH-IBGZPJMESA-N 371.368 2.923 0 3 FFAF COc1cccc(CCN[C@@H](CO)c2ccc(O)c3nc(O)ccc23)c1 1857770081 YCKZXQWAUYNOTL-KRWDZBQOSA-N 354.406 2.520 0 1 FFAF COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(OC)cc1Cl 2904102 JZSBZZLZXMBWTG-QTGCHDBNSA-N 351.786 2.819 0 1 FFAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051583 ZAABBSDFYRKRDR-WKCGWZECSA-N 356.422 2.895 0 1 FFAF c1cncc(Cc2nnc(N3CCC4(CC3)OCCO4)c3ccccc23)c1 4906888 VVJXXJOLLSIBOA-UHFFFAOYSA-N 362.433 2.959 0 1 FFAF O=C(O)[C@@H]1CCCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 104416506 XPYCSPVGBUOATR-SNVBAGLBSA-N 352.316 2.858 0 1 FFAF CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1 27096606 AWVBRIUURRAPDO-UHFFFAOYSA-N 351.454 2.665 0 1 FFAF NCCCCOc1c(Br)cc(CCN)cc1Br 27899162 GFVJTTIBEQLPHA-UHFFFAOYSA-N 366.097 2.831 0 1 FFAF C[C@@]1(C(=O)NCC2CC2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61905071 DDLQAUMNWQKWMS-FQEVSTJZSA-N 352.390 2.697 0 3 FFAF COc1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c2c1OC 72177202 BBWGUNCGUMXOLE-UHFFFAOYSA-N 356.353 2.614 0 1 FFAF Cc1ccc2nc(C)c3nnc(-c4cc(OCCO)ccc4Cl)n3c2n1 145712254 ZSDUWOZPBUPSHE-UHFFFAOYSA-N 369.812 2.981 0 1 FFAF CC(=O)Nc1nc(CCc2ccc(CCc3c[nH]c(N)n3)cc2)cs1 96271639 AEIIDPFLJZBBFK-UHFFFAOYSA-N 355.467 2.977 0 1 FFAF CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccccc1 95895333 IBJWYNZKJSVCRK-BDTNDASRSA-N 364.489 2.998 0 1 FFAF CC(C)CCc1cc(O)cc2c1C(=O)C[C@@](O)(Cc1cc(O)cc(=O)o1)O2 238759882 WSKDFXRYQXJQNT-HXUWFJFHSA-N 374.389 2.536 0 1 FFAF N=C(N)SCCO[C@H]1CC[C@H]([C@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 253638762 AXHJHBJQQWLDTO-DRGHRCPLSA-N 358.504 2.584 0 1 FFAF Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12 299838849 RGMGLZVBKZSCTM-UHFFFAOYSA-N 358.375 2.612 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586931593 GINBSMXABMJQIL-UHFFFAOYSA-N 353.391 2.609 0 1 FFAF CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598148 WKEWIHZREIWMRZ-UYELDUJUSA-N 367.401 2.586 0 1 FFAF CCOC(=O)Cn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388778 AUPZYWGGFLESSE-INIZCTEOSA-N 357.410 2.660 0 1 FFAF O=C1C[C@@H](c2nc3c(Cl)ncnc3[nH]2)CN1Cc1ccc(F)cc1F 587151217 XJABOBLLPHLTKJ-SECBINFHSA-N 363.755 2.801 0 1 FFAF COc1ccc2c(c1Br)Cc1cc3c(O)nc(O)nc3nc1-2 587366662 OSTIOOSDQDHOLK-UHFFFAOYSA-N 360.167 2.778 0 1 FFAF COc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 587197885 WWZPYIRSPQFGCC-GFCCVEGCSA-N 362.430 2.883 0 1 FFAF CN(C(=O)c1ccc(C(=N)N)cc1)c1ccc2c(c1)C[C@@H](CC(=O)O)CC2 13781403 QBRGCZVCDZXRMW-ZDUSSCGKSA-N 365.433 2.827 0 1 FFAF NCc1cc(Oc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)ncn1 1857549586 SKZDTGBMVOXPLA-UHFFFAOYSA-N 364.361 2.678 0 1 FFAF Cc1cc2nccn2c2sc(C(=O)N[C@H]3Cc4cccnc4C3)c(N)c12 1857562697 CJRABJQHOMPBQD-LBPRGKRZSA-N 363.446 2.732 0 1 FFAF Cn1ncc2c(=O)n(-c3ccccn3)c(SCc3cccc(F)c3)nc21 1857640156 MGXCNIYSNDJLAZ-UHFFFAOYSA-N 367.409 2.946 0 1 FFAF NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21 1857744703 CVDOOUAVJKFFGB-UXHICEINSA-N 366.509 2.661 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@H]1[C@H]2C(=O)OC 2356449304 HZRZXZZTSRUSLH-ZWQIFLOQSA-N 354.450 2.813 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2cc3ncn(Cc4ccccc4)c3cc21 28093826 YRKWOSUWLWGUDC-UHFFFAOYSA-N 362.433 2.754 0 1 FFAF O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccccc1 67490346 SKHBFTJAZMYZRG-QFIPXVFZSA-N 352.478 2.763 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917284 AKYKYHKJUHUACD-WSGLSMIWSA-N 350.499 2.681 0 1 FFAF CCCc1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O 33487738 VIRAKHGYHAXNKS-UHFFFAOYSA-N 352.481 2.976 0 1 FFAF COc1ccc2nc(C)cc(N3C[C@H](CNC(=O)C4CCC4)OC3=O)c2c1 72120462 MXSIMTMTMNURHF-HNNXBMFYSA-N 369.421 2.793 0 1 FFAF C[C@H]1CCCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)C1 136872073 JSAASMWQWMCMJD-SEQUMDBASA-N 356.451 2.954 0 3 FFAF C[C@H]1CC=C[C@@H](O)CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299809847 QYXOHVDWSBSNSN-WDEREUQCSA-N 366.797 2.675 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 587106090 IEARJBAZFKBQSB-AGKSTNPPSA-N 356.381 2.759 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(C(=O)O)N1 587825836 FTPKEAYWIUWNEE-ANRSDYALSA-N 374.206 2.657 0 1 FFAF C[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361716 ZOFLGRWUNQCPNO-SJLPKXTDSA-N 364.394 2.694 0 1 FFAF Cn1cc(Br)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587651596 WVEROGKPXSNWGQ-UHFFFAOYSA-N 366.602 2.839 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]31)CC2=O 587482836 JRUOTIYWJRAOKE-WCYMFGLZSA-N 359.422 2.521 0 1 FFAF Cc1c(I)cnn1[C@H](C)c1nc2cccc(O)c2[nH]1 587182446 OZTMNXDMLVMTNZ-MRVPVSSYSA-N 368.178 2.987 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 587772466 VNRGWILFJKEGKC-XKMYXLIJSA-N 369.278 2.545 0 1 FFAF CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 11789194 RMOWVQKNBIMGGQ-IBGZPJMESA-N 360.479 2.552 0 1 FFAF Cn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2ccccc21 13447728 XGISVNPAZQTTIQ-UHFFFAOYSA-N 356.385 2.632 0 1 FFAF Cc1cccc(NC(=O)c2cc(N3CCc4nc(N)ncc4C3)ccn2)c1 169710061 CEFZSKFWKSGGDT-UHFFFAOYSA-N 360.421 2.577 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 169714746 MUMURSDPJHXUQI-WBVHZDCISA-N 361.394 2.585 0 1 FFAF O=C1CC[C@@H](N2Cc3c(SCc4ccccc4)cccc3C2=O)C(=O)N1 1857611414 AKCGNJSNWZEWFO-MRXNPFEDSA-N 366.442 2.740 0 1 FFAF CCN(CC)CCNC(=O)c1cc(-c2ccnn2C)nc2ccccc12 1857611786 FTEMEHRFENDHSD-UHFFFAOYSA-N 351.454 2.707 0 1 FFAF CC(C)Cn1cc(C(=O)N2CCOCC2)c2c3ccccc3n(C)c2c1=O 3909726 SDFOAZKSFMKURE-UHFFFAOYSA-N 367.449 2.622 0 3 FFAF CC(C)(C)n1ncc2c1CCCN(C1[C@H]3CC4C[C@H]1CC(O)(C4)C3)C2=O 101668587 WBAXTNRSLNUYJC-IYYAYNBDSA-N 357.498 2.966 0 1 FFAF O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1ccncc1 103294486 CLTMHRLGSQWDQW-LJQANCHMSA-N 372.384 2.935 0 1 FFAF O=C1Oc2ccccc2[C@@H](O)[C@@H]1Sc1c(O)c2ccccc2oc1=O 100360882 IDHBHFXFHJPAMQ-HIFRSBDPSA-N 356.355 2.612 0 1 FFAF CCOC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1 58522844 YFFCSWPASKXTLR-SFHVURJKSA-N 366.465 2.924 0 1 FFAF COc1cc(C=CC(=O)NCC(=O)c2c[nH]c3ccc(O)cc23)ccc1O 2356410181 CXZBWXCAWJVVHH-UHFFFAOYSA-N 366.373 2.600 0 1 FFAF CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 20766283 LUSKQLSWTWCLES-MXSMSXNCSA-N 366.527 2.993 0 1 FFAF Cc1c(Sc2ccccc2)n(COCc2cccnc2)c(=O)[nH]c1=O 28134164 FIHSKQXTGFGZFB-UHFFFAOYSA-N 355.419 2.566 0 1 FFAF COc1c(OC)c([S@](C)=S)c2c(c1N(C)C)CCS[C@@H]2OC 2356813052 CCTXITJLTQGQNC-NYHFZMIOSA-N 361.554 2.773 0 1 FFAF C[C@@H]1O[C@H](O)C[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 38696814 VNYPKNHJPZZNQO-XDKFSHSGSA-N 356.374 2.565 0 1 FFAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O 33819865 LHJSBTOSBYRXRM-UHFFFAOYSA-N 362.429 2.995 0 1 FFAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccsc3)c(=O)n21 82211790 YHBFIGBHIMIICO-GFCCVEGCSA-N 362.499 2.954 0 1 FFAF O=C(O)c1cnn(-c2nc(O)c3c(Cc4ccccc4)csc3n2)c1 1911586497 OYPXDKUFHFWISG-UHFFFAOYSA-N 352.375 2.872 0 1 FFAF Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1 49087987 CBRULMYFULTTGF-UHFFFAOYSA-N 372.432 2.901 0 1 FFAF COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)/C=C\c1ccc(OC)cc1 238744253 UYBDSERUMXMVGO-RNNBRSHQSA-N 369.417 2.618 0 1 FFAF C/C(=C/CCC1=CCC[C@](C)([C@H](O)CC/C(C)=C\CO)OC1=O)CO 238736568 SUTOKLTWMNXOJT-QFOKAEPBSA-N 352.471 2.807 0 1 FFAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(I)c1)N2 261102323 GPTFOAJWBIXTMY-FQUUOJAGSA-N 371.218 2.688 0 1 FFAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 586936823 APUOIQAQYOATIP-NSHDSACASA-N 361.471 2.633 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(OC)cc3[nH]1)C2 587247387 QSHBDVLXVVZTCP-HXUWFJFHSA-N 353.422 2.932 0 1 FFAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@@H](C)C(=O)O 587517866 WKPWQMVTKBLARW-ZSEKCTLFSA-N 369.417 2.879 0 1 FFAF CCOC(=O)[C@@]1(c2cnc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 587394297 SZEMPSGIGQYJNF-FQEVSTJZSA-N 365.389 2.649 0 1 FFAF COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C(F)(F)F)c1 587096805 BREBINUIHHJCFT-UHFFFAOYSA-N 371.340 2.905 0 1 FFAF O=C1c2ccccc2N/C(=C/Cl)N1Cc1ccc2c(O)nc(O)nc2n1 587368547 LEJZMEAJCVPFGG-QPEQYQDCSA-N 369.768 2.542 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SCC1(CO)CO 587412443 CKYUJWFHLXUKQT-HXUWFJFHSA-N 371.458 2.515 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCCCCC3)OCC1=O)O2 587399609 KVJKCLHHCIHNFM-NRFANRHFSA-N 370.449 2.640 0 1 FFAF Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1 1772617830 UYSLJWYWNNTFPF-UHFFFAOYSA-N 361.881 2.941 0 1 FFAF CN1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2ccncc2)nc1 11820708 DFVAGIYONLJMLW-GOSISDBHSA-N 353.470 2.693 0 1 FFAF Cc1nc(N(CCO)C2CCCCC2)c2nnn(Cc3ccccc3)c2n1 1347405 YYFLBSBQMIOTAQ-UHFFFAOYSA-N 366.469 2.709 0 3 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCOC 4153362 VIQQNXGYXJGVEN-MJGOQNOKSA-N 372.421 2.923 0 1 FFAF CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 4563968 YDIHMSYJSVIFEN-WBHUJUFNSA-N 360.454 2.710 0 1 FFAF CCNC(=O)Nc1nc2cc(-c3cncnc3)c(=O)n(C(C)C)c2s1 103263652 UCIJIBKSJFYGEO-UHFFFAOYSA-N 358.427 2.637 0 1 FFAF OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1C1CCCC1 101616308 AKNRRJRROLTKDX-QZTJIDSGSA-N 371.460 2.942 0 1 FFAF CC[C@H](C)C(=O)C(=O)NCCc1c(-c2ccc[n+](C)c2)[nH]c2ccccc12 29417088 RJHIMMDZJXBPIL-HNNXBMFYSA-O 364.469 2.933 0 1 FFAF COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1 29053552 DTNCOGJSSGSXAG-UHFFFAOYSA-N 364.449 2.969 0 1 FFAF CC[C@@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NCc1ccccc1 28111647 KDEIKFGXYSUMPJ-KDOFPFPSSA-N 365.437 2.720 0 1 FFAF Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(C(F)(F)F)cc3c2n1 73158881 YSQGTJGIASLDOZ-VIFPVBQESA-N 351.332 2.905 0 1 FFAF CCCC[C@]12C[C@@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 34821566 PILFFSFQSAQLOR-QZTJIDSGSA-N 364.829 2.701 0 1 FFAF CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC 72119642 LFTRJEGVGRCFEP-MRXNPFEDSA-N 361.467 2.514 0 1 FFAF CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C 82070024 DNVOEXMUFBPZCF-MRXNPFEDSA-N 369.531 2.783 0 1 FFAF CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O 85989448 IGMRYMQUDCGCFD-MSOLQXFVSA-N 360.362 2.890 0 1 FFAF biogenic COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OCC(=O)O)[C@@H](C2)C3=O 587438219 DCBXCDUFSUUUJR-XOBRGWDASA-N 354.358 2.956 0 1 FFAF O=C1COc2cc3[nH]c(-c4ccc5c(c4)NC(=O)CS5)nc3cc2N1 587044124 PBWLKZYMHLHBQU-UHFFFAOYSA-N 352.375 2.605 0 1 FFAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@H]1CCCO1 587392856 WJZDESFDFPRVRQ-JLTOFOAXSA-N 356.422 2.596 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)nc1)CC2=O 587488177 PHWGLBTUTOETIH-INIZCTEOSA-N 361.419 2.850 0 1 FFAF C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 587388581 DZTWUMQOKXUTSQ-OPSSOPACSA-N 370.449 2.837 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 587177101 PHDJJNGCKBMCJX-UHFFFAOYSA-N 368.821 2.592 0 1 FFAF Cc1c(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029889 VGCJYBGCGNMJRQ-UHFFFAOYSA-N 373.829 2.569 0 1 FFAF NC(=O)c1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586985053 XLYDKGRIJFHXMO-GFCCVEGCSA-N 359.227 2.667 0 1 FFAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1cnccn1)[C@@H](C2)C3=O 587429575 PWXNWTQFVDYMPN-OQWOBTCGSA-N 351.406 2.594 0 1 FFAF COC(=O)[C@](C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352923 PPBHJDHJZWTKHR-VDGAXYAQSA-N 374.364 2.573 0 1 FFAF Cc1ccc(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C 587651720 CZKQCSMIYAIHJE-UHFFFAOYSA-N 355.781 2.946 0 1 FFAF CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)NCCc2ccc(O)cc21 963344093 YJJJCJUKGCBUNZ-HXUWFJFHSA-N 373.836 2.957 0 1 FFAF COc1ccc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c(OC)n1 963054408 IQPWPRPXTHOPBD-IBGZPJMESA-N 351.406 2.891 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2CC/C=C/[C@@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169297759 WYGJZHIDGQTINZ-PQJCPAAESA-N 368.813 2.707 0 1 FFAF O=C(NC[C@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1ccco1 12022923 XXTYCNGUYZGMPL-QGZVFWFLSA-N 355.438 2.674 0 1 FFAF CC(=O)Nc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 19794496 RJYCPZFNCCFPJZ-NRFANRHFSA-N 359.514 2.846 0 3 FFAF CC[C@@H]1/C=C/[C@@H](O)[C@@H](O)C/C=C/c2cc(OC)cc(O)c2C(=O)O[C@H]1C 169320441 BBBYYQVMEHVGSS-BGAZWLGMSA-N 362.422 2.667 0 1 FFAF CC(=O)N1CCCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168761542 RUGKMJBVTQEPHN-CQSZACIVSA-N 350.426 2.833 0 1 FFAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4snnc4c3)CC2)cc1 205134241 ZLNQGNKLWTXOSE-UHFFFAOYSA-N 366.446 2.856 0 1 FFAF CS(=O)(=O)c1n[nH]c(-c2nc(-c3ccccc3)oc2C(F)(F)F)n1 1857636872 WDBWOZXMWUROGE-UHFFFAOYSA-N 358.301 2.549 0 1 FFAF CC[C@H](CN1NC(c2ccc(Cl)cc2)=CCC1=O)C(=O)CCC(=O)O 1575108 VTSQOBXOMJRRJN-GFCCVEGCSA-N 364.829 2.878 0 1 FFAF CO[C@@H]1CO[C@H](Oc2cc(C)c3c(c2)C(=CCl)CCN3)[C@H](OC)[C@H]1O 2356462598 YDKCHRURWAZULR-BZZMCLGOSA-N 369.845 2.516 0 1 FFAF COc1ccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1OC 116674247 BJNHEAMDRAPFMJ-UHFFFAOYSA-N 370.409 2.735 0 1 FFAF CC(=O)O[C@@H](C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1 107379315 YHWNKTBEAKNGST-GOSISDBHSA-N 368.393 2.779 0 1 FFAF CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 20105101 YDIHMSYJSVIFEN-QITLCBANSA-N 360.454 2.710 0 1 FFAF CNc1cc(Br)cc(NS(=O)(=O)c2ccc(N)cc2)c1 26670456 DUZZKSKYSWBUBE-UHFFFAOYSA-N 356.245 2.874 0 1 FFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@@H]1C 2356566702 QDAPAVNNGPQYEF-UWBHQEEUSA-N 373.497 2.891 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NC(C)C)O3)cc1 61930839 QOFAMBIXKDHSPY-FQEVSTJZSA-N 353.422 2.925 0 3 FFAF CC[C@H](O)COc1cc(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12 85569494 KRKUEWHVDHGJJR-NSHDSACASA-N 358.346 2.727 0 1 FFAF biogenic,in-vitro CC(C)=Cc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1 225558545 TVVGDJSWZQIQJZ-UHFFFAOYSA-N 362.437 2.722 0 1 FFAF COC1CCC2(CC1)Cc1ccc(C3CC3)cc1[C@]21N=C(N)N(C)C1=O 140873783 YWOOOFKOHLVWRU-VYHPPPRESA-N 353.466 2.678 0 1 FFAF COC(=O)c1cccc(O)c1-n1c(-c2cccnc2)nc2ccccc2c1=O 238749389 HFCODQQUOYPYRJ-UHFFFAOYSA-N 373.368 2.940 0 1 FFAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95866673 QAFUJIZSBCRCGH-VQTJNVASSA-N 354.494 2.628 0 1 FFAF COc1cc(/C=C/CN2CCN(CCC(C)C)[C@H](CCO)C2)ccc1O 263592124 NMJAKOOQGMMBBT-VZSQWMKGSA-N 362.514 2.829 0 3 FFAF Cc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1F 586931316 AEBMKVZSTZQLNO-UHFFFAOYSA-N 363.414 2.840 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608170 PPJGLNCXXCCQEV-JTDSTZFVSA-N 374.414 2.690 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757580 OVZWQXGYZZEPRN-JKYUHCHBSA-N 353.239 2.836 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@@H](O)c1ccccn1)O2 587393979 OVBQBWCQURVCQP-LEWJYISDSA-N 361.401 2.962 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccccc41)[C@@H](C2)C3=O 587454880 ZFOQYEPCIWFZBS-RBZFPXEDSA-N 350.326 2.699 0 1 FFAF N=c1[nH]c2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)nc-2c(Cl)[nH]1 587109184 URKIEPSWZQUCBN-UHFFFAOYSA-N 357.679 2.754 0 1 FFAF N=c1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c[nH]1 587019759 VUDFXANVMXBBGP-UHFFFAOYSA-N 356.436 2.732 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn(C)c2=O)N1 587775544 SZXBMXCWKQPMOP-BJOHPYRUSA-N 351.219 2.911 0 1 FFAF COc1cnc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1Cl 587064564 DBLJAVPRASYLED-UHFFFAOYSA-N 366.830 2.537 0 1 FFAF COC(=O)[C@H](OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796227 SNRSDEGRJQWZGB-IIRLODAESA-N 360.223 2.526 0 1 FFAF CN(C)C(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O 1772621956 GWHVVQIMOVIZTR-UHFFFAOYSA-N 367.236 2.548 0 1 FFAF COc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C 1772632269 YPOOJPDFTKZDEW-UHFFFAOYSA-N 358.419 2.656 0 1 FFAF CN(C)C(=O)[C@H]1[C@@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 13497258 NCMXJSUKDAAOHL-HLIPFELVSA-N 367.474 2.935 0 1 FFAF Cn1c(=O)sc2cc(CCN3CCN(c4ccccc4O)CC3)ccc21 13779681 XBYOOBNCVDFUQE-UHFFFAOYSA-N 369.490 2.670 0 1 FFAF CN1c2ccsc2C(=O)[C@@H](C(=S)Nc2ccccc2)S1(=O)=O 17525998 LVGVPWQVNRUEHB-ZDUSSCGKSA-N 352.462 2.519 0 1 FFAF COC(=O)[C@H]1C(=N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)cc1 169687145 MJSVCSSZGQDVCG-DZGCQCFKSA-N 360.797 2.638 0 1 FFAF Nc1c2c(nc3c1[C@H](c1ccc4c(c1)OCO4)NC(=S)N3)CCCC2 1857631706 HCMONNLOJLHXAS-INIZCTEOSA-N 354.435 2.661 0 1 FFAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 767422 KDIJDWNBCDDYQN-WBVHZDCISA-N 358.463 2.975 0 1 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356379639 CTPIEAJSDCCWDH-RHSMWYFYSA-N 356.401 2.706 0 1 FFAF NC(=O)C[S@](=O)[C@@H](c1ccccc1)c1cccc(Br)c1 103246735 UHAPVHXNAHJXQO-MGPUTAFESA-N 352.253 2.773 0 1 FFAF Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 104696153 LJUHFKGXUTUDLN-HNNXBMFYSA-N 371.396 2.931 0 1 FFAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@H]3C(=CC=CC(C)(C)O)COC(=O)[C@H]31)C2 2356567022 CUFNSNQMTXWTPT-YRJWVXGYSA-N 364.482 2.759 0 1 FFAF c1ccc(COc2ncnc3c2ncn3CCCNC[C@H]2CCCO2)cc1 61936005 GDEKUIZGBXTHAQ-QGZVFWFLSA-N 367.453 2.564 0 3 FFAF CCN(CCF)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 71316055 YLAQOBBMVDLMDI-UHFFFAOYSA-N 358.421 2.916 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC 40475012 REJMVOGSTMMWHW-BKTGTZMESA-N 369.373 2.532 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2C=O)ccc1O 221499866 WJCNWNKOLJMKJE-WARYXCEBSA-N 370.357 2.923 0 1 FFAF in-vitro C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2 145613149 DMNHLGOPJBTFQJ-IHPCNDPISA-N 369.396 2.758 0 1 FFAF in-vitro C[C@@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142943200 CFSZGVBQVHHAJP-VIFPVBQESA-N 374.338 2.917 0 1 FFAF COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3C[C@H]21)OCO4 85996281 GIVXYHGHGFITPJ-CQSZACIVSA-N 353.374 2.728 0 1 FFAF biogenic O=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccccc2)n1 299857566 NPEFVQLJZKNUJI-GOSISDBHSA-N 363.421 2.795 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccnc(Br)c3Cl)nc12 587008440 VWXTZSALBAUPAL-UHFFFAOYSA-N 358.608 2.825 0 1 FFAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C 587761282 OZPMQYJNCLJULW-FVMDXXJSSA-N 353.235 2.736 0 1 FFAF CC[C@]1([C@@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570889 JRCWYIUOUXQOIJ-FNHZYXHNSA-N 371.345 2.811 0 1 FFAF COc1cc2c(cc1[C@H]1NCCc3c1c(C(C)C)nn3C)OCCCO2 962922391 WKCUADUZNLWUDH-HXUWFJFHSA-N 357.454 2.949 0 1 FFAF CC(=O)Oc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963235739 RUAJBJLVFGHIFD-WOJBJXKFSA-N 362.385 2.848 0 1 FFAF CC(C)(C)OC(=O)N1[C@@H](COc2ccc([N+](=O)[O-])cn2)COC1(C)C 219736720 KKHYHPKAELWKPB-LBPRGKRZSA-N 353.375 2.741 0 1 FFAF biogenic CNC(=O)c1cccnc1Nc1nc(-c2cccc(OC)c2)cc2nccn12 1772648582 FFTWEINKYBHBDC-UHFFFAOYSA-N 374.404 2.903 0 1 FFAF Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c[n+]1[O-] 169700121 CKFKKGDOSWBOHE-OCCSQVGLSA-N 356.332 2.674 0 1 FFAF CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(N)=O 207732031 QRPHVTWXSRYQKX-ZDUSSCGKSA-N 373.375 2.519 0 1 FFAF COc1ccc(N(C(=O)NCCCn2cncc2C)C2CC2)cc1OC 1857549849 OIRQFILTVRLRRD-UHFFFAOYSA-N 358.442 2.977 0 1 FFAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(C)nc4)cccn3[nH]1)C2 1857751814 MSECXZDYGYTFKC-QGZVFWFLSA-N 373.464 2.707 0 1 FFAF COc1cc2c(cc1OC)[C@H](C(=O)NCCC(C)C)[C@@H]1CCCCN1C2=O 4563925 RQPAWEAIIHOEIK-LPHOPBHVSA-N 374.481 2.958 0 3 FFAF CC[C@@](C)(CO)CNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 26717675 MLGNCAXDEPBXNR-YIFZBPKDSA-N 367.493 2.562 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3C[C@H](O)[C@@H]12 2356713455 JFROLRTYTSCKNK-ZEJTXZPASA-N 362.466 2.893 0 1 FFAF C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F 72124568 CDWQVKCIKWCXMQ-SFHVURJKSA-N 365.426 2.592 0 1 FFAF CC(C)Oc1cc(N2C[C@H]3COC[C@H]3C2)nc2c(-c3cc[nH]n3)nccc12 1911572432 JQUZDFXQYLXQSC-OKILXGFUSA-N 365.437 2.890 0 1 FFAF C[C@@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@@H](C)O1 84652881 BPOGPSWQWXFRCB-HUUCEWRRSA-N 365.547 2.606 0 1 FFAF O=C(N[C@H]1COc2ncccc21)[C@H](CO)c1ccc(Cl)cc1Cl 144941665 DPNPLMFVTDNEQR-OCCSQVGLSA-N 353.205 2.714 0 1 FFAF CC(C)CN1C[C@H](CCCCN)NC(=S)c2nn(CC(C)C)cc21 140764912 SRDGVWFRHBVJPL-HNNXBMFYSA-N 351.564 2.778 0 1 FFAF CCOc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 587439155 KAODAZMWLMPBFT-JLTOFOAXSA-N 351.358 2.689 0 1 FFAF COc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588210 PQASLAYBNDSLCB-QFBILLFUSA-N 350.330 2.894 0 1 FFAF N=c1nc(O)c2nc(COc3ccccc3C3SCCS3)[nH]c2[nH]1 587044535 XOZQZSHXGMRHET-UHFFFAOYSA-N 361.452 2.529 0 1 FFAF CC(C)NS(=O)(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874704 AOIVZFBEIQPVPS-UHFFFAOYSA-N 374.397 2.866 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(N)=O)CC2)N1 587750318 STEIFCPRJLGHNE-CYWKSYIRSA-N 355.251 2.993 0 1 FFAF COc1ccc2c(c1)[C@]1(CCCc3nc(O)c(C(=O)O)cc31)N[C@@H]1CC[C@@H]21 962992494 GWEOSVURZFUZCM-IFCGJNOESA-N 366.417 2.923 0 1 FFAF NC(=O)Cn1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c2cccnc21 963117744 XVJDPMVTISGLIG-FOIQADDNSA-N 364.424 2.771 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cccc2c1C(=O)NC2 963611940 RFPYJMICECOZLW-GTJPDFRWSA-N 352.434 2.745 0 1 FFAF CCS(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 13675704 GTDDIUJHWPRGSU-UWVAXJGDSA-N 372.442 2.983 0 1 FFAF O=c1c2ccccc2nc(CSC2=NCCN2)n1-c1ccccc1F 169316425 IBFLDECNNQXWNU-UHFFFAOYSA-N 354.410 2.717 0 1 FFAF CCC(=O)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1 1857546903 IYLOXUHUDAESGR-UHFFFAOYSA-N 354.454 2.660 0 1 FFAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 3961901 HSJQAFINUTWIMP-UHFFFAOYSA-N 370.233 2.635 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO 4055226 BUECXFFCUXXCOD-SJLPKXTDSA-N 374.824 2.549 0 1 FFAF O=C([C@@H]1C[C@@H]1c1cccc(N2CCCC2=O)c1)N1CCN(C2CCC2)CC1 113831712 XAGDIZMJFDFBJY-WOJBJXKFSA-N 367.493 2.614 0 1 FFAF Cn1cc(-c2ccc3ncc(-c4cccc(NC5CCNCC5)n4)n3c2)cn1 29044795 DJJBCXGTFRZPIR-UHFFFAOYSA-N 373.464 2.961 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 26019685 GSYRQGVSSCQGOF-ZDUSSCGKSA-N 368.275 2.501 0 1 FFAF CN[C@H](C(=O)N[C@@H](COC(=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C 2356326371 WHLPINMHMWSWLW-APWZRJJASA-N 373.497 2.638 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)C=CC[C@@](C)(O)[C@H](O)CC1 2356529466 HWHKBVPFJUPSOY-ONCXSQPRSA-N 350.455 2.558 0 1 FFAF CCOc1ccc(CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1OCC 4601386 CEMDJRXKJDUJQM-FDCRZUCXSA-N 355.434 2.834 0 1 FFAF COc1c(C)c2c(c(O)c1C=O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 13481903 IGNSUVGZBUZHKW-GFCCVEGCSA-N 370.357 2.684 0 1 FFAF biogenic C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(F)c1F 221916600 FWULJMBJDVDQPS-OPQQBVKSSA-N 364.352 2.634 0 1 FFAF COC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1 42878097 OIGKTTFTKCPYQX-UHFFFAOYSA-N 354.370 2.528 0 1 FFAF COC1=CC(=O)O[C@H](c2coc(/C(=C\c3ccc(Cl)[nH]3)CO)n2)[C@@H]1C 238776773 ZFKNRTLKFAAYBN-WMETXBJESA-N 364.785 2.953 0 1 FFAF Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 299828020 GNOQGZBRNYQEDY-UHFFFAOYSA-N 372.402 2.920 0 1 FFAF O=C(NCCCN=c1[nH]c2cccnc2[nH]1)c1cc(Cl)cc(Cl)c1 473169264 MTQDOFVMTQLGPU-UHFFFAOYSA-N 364.236 2.919 0 1 FFAF CN(C)CCOc1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 587117944 MLAYCFAMRDFVAZ-UHFFFAOYSA-N 353.348 2.923 0 1 FFAF CCOC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794844 HJOJPYRBZJCPDO-QFYYESIMSA-N 374.250 2.917 0 1 FFAF CCOC(=O)CCCC(=O)NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511612 MDAPYJVTACZGJG-OAHLLOKOSA-N 373.449 2.749 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(C(=O)OC)c3[nH]2)c1 586920979 AUVKSRDEXVCNAN-UHFFFAOYSA-N 358.419 2.734 0 1 FFAF Ic1cnc2ccc(-c3nc4cnccc4[nH]3)cn12 587187620 JNTHZYQUHYEACJ-UHFFFAOYSA-N 361.146 2.877 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(CN)c3)[nH]c2c1 587247186 WWZMYZDIOVZLAU-UHFFFAOYSA-N 358.467 2.719 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1 586935036 DLYPGIAJRIKISI-UHFFFAOYSA-N 373.360 2.659 0 1 FFAF FC(F)c1c(-c2nc3c(Br)ccnc3[nH]2)cnc2ncnn12 587128218 JFCOXSFTRQBIII-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF Cc1cccc([C@]2(CCC(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c1 962926374 BTEMLNFEOLINMD-QFIPXVFZSA-N 366.461 2.951 0 1 FFAF N=C(N)N1CCc2ccc(OCC3CCN(c4ccncc4)CC3)cc2C1 12354931 RSQFOIAKJHXGMS-UHFFFAOYSA-N 365.481 2.629 0 1 FFAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCN(C)C2=O)cc1 13642999 YPRFZGADERCJFT-GFCCVEGCSA-N 353.426 2.901 0 1 FFAF COc1cccc(OC)c1OC(=O)[C@@H](c1ccccc1)N1CCOCC1 13864501 CSLVFDOJQMZCMM-GOSISDBHSA-N 357.406 2.683 0 1 FFAF COC(=O)[C@H]1C=N[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 169714623 FOJDNZXXDIBNGC-ZXBXUNHQSA-N 351.450 2.965 0 1 FFAF CCCCNC(=O)C[C@@H]1C[C@]2(C(=O)OCC)CCC3=C2N(CCC3)C1=O 203472384 SDAQBXJWCMSPQZ-FOIQADDNSA-N 362.470 2.533 0 3 FFAF CN[C@H](C)COc1ccc2ncc(-c3cc4c(OC)nccc4o3)n2n1 205344196 RZLRCYVNAIVXJZ-LLVKDONJSA-N 353.382 2.533 0 1 FFAF COc1cc2c(cc1OC)[C@@H](C(=O)NCCC(C)C)[C@@H]1CCCCN1C2=O 4563923 RQPAWEAIIHOEIK-QFBILLFUSA-N 374.481 2.958 0 3 FFAF COCn1ccnc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1 7078394 YKXPRPUXOVYZFA-UHFFFAOYSA-N 354.406 2.788 0 3 FFAF CCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O 27979454 SWUIOIMFTISPRN-UHFFFAOYSA-N 355.482 2.814 0 1 FFAF O=C(O[C@H]1CCCN(CCF)C1)C(O)(c1ccccc1)c1ccccc1 27520973 KDHBCIPPYVMWKR-IBGZPJMESA-N 357.425 2.900 0 1 FFAF CNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1 21289499 QBBDXJPRXHFUCL-UHFFFAOYSA-N 353.382 2.648 0 1 FFAF CC(C)C=Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)cc1O)O2 2356725244 AWVLLCIFSAKNJE-UXHICEINSA-N 372.373 2.856 0 1 FFAF COc1cccc2c1[C@@H](c1ccc3c(c1O)C(=O)C[C@@H](C)[C@H]3O)OC2=O 36374946 MOOPAAHERXFVGI-YZYVNEJNSA-N 354.358 2.917 0 1 FFAF Cc1ccc(S(=O)(=O)CCc2noc(-c3n[nH]c4ccccc34)n2)cc1 85823339 SDARHAZTHILEDF-UHFFFAOYSA-N 368.418 2.938 0 1 FFAF CC(C)(C)OC(=O)c1ncn2c1CN(CCF)C(=O)c1cc(F)ccc1-2 95593731 QGLFBTHAKKTGMT-UHFFFAOYSA-N 363.364 2.892 0 1 FFAF COc1cccc(Nc2nccnc2NS(=O)(=O)c2cccc(N)c2)c1 299825087 WDDTYSWVWLVIJF-UHFFFAOYSA-N 371.422 2.612 0 1 FFAF CC(=O)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F 473087634 LDQGPRGLZGHGOG-GFCCVEGCSA-N 366.133 2.612 0 1 FFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2N1 587125647 SHIYNKBEZRFIOB-HQJQHLMTSA-N 364.331 2.833 0 1 FFAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587436442 RAYOKHXQFDTACG-ZUOKHONESA-N 353.374 2.930 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 587380628 BCFUGEGKSHGQAF-KRWDZBQOSA-N 374.299 2.712 0 1 FFAF NS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587108825 XDFFXIYXOYBLBD-UHFFFAOYSA-N 355.341 2.820 0 1 FFAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587933938 ATBHJKTZOVVSPK-UHFFFAOYSA-N 369.446 2.791 0 1 FFAF CN(C)CC1CCN([C@@H]2CCC[C@]3(C2)NCCc2ccc(O)cc23)CC1 963341626 NTSTZFUBTYVQOD-DENIHFKCSA-N 357.542 2.949 0 1 FFAF CN1CCc2cnn(C)c2[C@@]12CCNc1c(F)ccc(Br)c12 963954046 GCIFEGCRUSBDAM-INIZCTEOSA-N 365.250 2.869 0 1 FFAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)c(C#N)cc2C(N)=O)c1 219562747 XAMCCSYNPOEISO-IAGOWNOFSA-N 364.453 2.786 0 1 FFAF CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1 1772601950 NVMIRTQMEMUHSJ-UHFFFAOYSA-N 357.479 2.958 0 1 FFAF CCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCC 13660852 VLVDAFJVDWIWPU-UHFFFAOYSA-N 362.455 2.642 0 3 FFAF Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCC2)n1 1857571859 ACGPZWKBROUREZ-UHFFFAOYSA-N 351.414 2.599 0 1 FFAF COc1ccc(C2(C(=O)NCCCn3cncc3C)CCC2)cc1OC 1857579843 CNVTZAYDFMURGV-UHFFFAOYSA-N 357.454 2.837 0 1 FFAF O=c1n(-c2cccc(F)c2)cc2nc(O)n(Cc3ccccc3Cl)n12 1857587760 QQUAPZQRVICWNA-UHFFFAOYSA-N 358.760 2.833 0 1 FFAF O=C1N(c2ccccc2)[C@]2(O)c3ccccc3C(=O)[C@@]2(O)N1c1ccccc1 1625511 GWUSSCXWEWTJSD-VXKWHMMOSA-N 372.380 2.863 0 1 FFAF CC[C@@H](C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 29561642 MCGFTDIDSXDGDC-WZYMTQMTSA-N 356.470 2.957 0 1 FFAF COc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1OC 28889750 NBLCRYNLAHMCIA-UHFFFAOYSA-N 367.409 2.697 0 1 FFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Br)cc1 104079136 JSTRTMOPBIHHGA-OCUQMRJBSA-N 350.176 2.547 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3)C1)C2 101505622 HBKRWXFJDGMODH-SQNIBIBYSA-N 371.481 2.643 0 1 FFAF CNC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1 28655360 YMDSHUUWMNADSA-UHFFFAOYSA-N 364.808 2.677 0 1 FFAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCCCC1 2356630152 DJDDDJVMHZSNPQ-IRXDYDNUSA-N 363.889 2.604 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@@H](C2)NCC3 2124086 YXVHYWZQBZJWHC-CYBMUJFWSA-N 357.406 2.837 0 1 FFAF biogenic COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3C[C@H]2OC(C)=O 15203910 UIOSDHZVQOEUNC-RVHYNSKXSA-N 371.433 2.734 0 1 FFAF biogenic COc1ccc(CCOc2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40936792 XDSYJFDIMNNMSV-UHFFFAOYSA-N 351.366 2.597 0 1 FFAF COc1ccc(Oc2cncc(NCCOCCO)n2)c2ccccc12 82068543 VCLGGYPLAZCZOI-UHFFFAOYSA-N 355.394 2.852 0 1 FFAF O=C(O)[C@@H]1Cc2ccccc2CN1c1nc(Cl)ncc1Br 82060738 XJJSEPUGCLCBPU-NSHDSACASA-N 368.618 2.908 0 1 FFAF Cc1cc(C(=O)NCCO)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12 222319550 ZIWPWJYKIWRJHS-UHFFFAOYSA-N 364.327 2.674 0 1 FFAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3ccccc3)ccc(=O)n1C2 25232746 RDGLMAUPMNSFHQ-WBVHZDCISA-N 372.490 2.674 0 1 FFAF biogenic CC(C)(O)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2)CO3)O1 238759399 GAPUQIONZCUUIW-CZUORRHYSA-N 356.374 2.531 0 1 FFAF O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96249661 FDKUDFCHXRRHLU-UYAOXDASSA-N 353.466 2.741 0 1 FFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587148484 BAZBAGPEHWEWSP-QMMMGPOBSA-N 353.350 2.629 0 1 FFAF NC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350331 ZEIJPNZUEVAVOR-QGZVFWFLSA-N 370.380 2.804 0 1 FFAF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)CC1 587638716 IZUKWYFAENWJQK-UHFFFAOYSA-N 358.394 2.590 0 1 FFAF O=[S@@](CCCc1nc2cncnc2[nH]1)c1ccc(Br)cc1 586959829 MOQVGPBFXUZNIE-NRFANRHFSA-N 365.256 2.856 0 1 FFAF COC[C@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660923 JXQDTKGUQWEXLN-LBPRGKRZSA-N 371.437 2.960 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCOCC2)N1 587769697 ZKZPZLDMJBBINY-BZNIZROVSA-N 357.267 2.670 0 1 FFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc[nH]c(=N)c2[nH]1 587199056 XZASXZAVTBPAPB-UHFFFAOYSA-N 358.405 2.896 0 1 FFAF FC(F)c1c(-c2nc3cc(Br)ncc3[nH]2)cnc2ncnn12 587127857 CBXSKOWWTANQDW-UHFFFAOYSA-N 366.129 2.763 0 1 FFAF Cc1cc(CNCc2cccc(OC[C@H](O)CN3CCCCCC3)c2)on1 12440918 QLHCHBQAZKIPKY-LJQANCHMSA-N 373.497 2.889 0 1 FFAF CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CC)c1=O 13478030 JKACQRNPANNUPM-MDZDMXLPSA-N 358.829 2.760 0 1 FFAF O=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1 13536339 AKDIWVSXUDYBMF-UHFFFAOYSA-N 353.466 2.679 0 1 FFAF COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n12 201415090 ZWNYSNVANDAZPD-UHFFFAOYSA-N 368.437 2.934 0 1 FFAF CCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc21 837006 CLYXERTWYIMBRP-UHFFFAOYSA-N 355.414 2.617 0 3 FFAF CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356348767 FABFALSQMFMAOA-KRZXBLKESA-N 364.482 2.519 0 1 FFAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(C)[C@@]15[C@H]2C)[C@@H]43 2356460387 SKCXCVICRJKXBC-VFGFUQHSSA-N 350.462 2.586 0 1 FFAF O=C(Nc1ccccc1)C1=CC2=N[C@H](C3CC3)C[C@H](C(F)(F)F)N2N1 104008501 ONYXXGBVDIBREY-GXTWGEPZSA-N 350.344 2.841 0 3 FFAF O=C(NC[C@@H]1CCCO1)c1onc(CSc2ccccc2)c1C(=O)O 8672406 KTLVGKRNOWPEIH-NSHDSACASA-N 362.407 2.574 0 3 FFAF O=C(NCc1ccc(F)c(Cl)c1)c1cc2cccc(O)c2n(O)c1=O 103253110 FLUZFOGDWLGQJR-UHFFFAOYSA-N 362.744 2.667 0 1 FFAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)C(F)(F)F 29123394 IRJXEJHJNCVKGL-ZJUUUORDSA-N 354.369 2.562 0 1 FFAF Nc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1 28526360 QDSCCNYUEDYRQW-INIZCTEOSA-N 355.463 2.755 0 1 FFAF NCCNc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12 66111578 QYCVGIKLACULSQ-UHFFFAOYSA-N 366.446 2.920 0 1 FFAF Cn1cc(NC(=O)c2ccc3cc4n(c3c2)CC2(CCC2)CNC4=O)cn1 218242716 DWDBPJSIHZJHQC-UHFFFAOYSA-N 363.421 2.541 0 1 FFAF COc1cc(C)c(C(=O)Oc2cc(C)c(O)c(C(=O)O)c2C)c(O)c1C=O 4164964 IGTAVCGEZLIHKG-UHFFFAOYSA-N 374.345 2.762 0 1 FFAF biogenic,in-vitro C=CC(C)(C)[C@]12C[C@@H]3C(=O)N[C@@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12 14860730 GFKUCJKLCHSSJN-DFPKUZHUSA-N 353.466 2.644 0 1 FFAF biogenic COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@H]([C@H](O)CO)OC2 73100880 IVJQHPFJFSRCHY-UHQZGXGZSA-N 356.418 2.753 0 1 FFAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](CC)N2 82208200 RJKBZAMGDDYFHD-CQSZACIVSA-N 362.474 2.533 0 1 FFAF O=C(O)c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40828332 OPURQRDIBOFOLY-OAHLLOKOSA-N 363.373 2.965 0 1 FFAF c1cc(OC[C@@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1 40379192 CCLHRWBVZOMXEV-NRFANRHFSA-N 360.498 2.541 0 1 FFAF CCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc(C)c2)n1 82160154 YCIWLXOSEXLEMZ-UHFFFAOYSA-N 369.469 2.530 0 1 FFAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)NC2)cc1OC 142698270 KHYBRVBOHNOXJY-UHFFFAOYSA-N 355.390 2.762 0 1 FFAF COCCN1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95553994 ZCODGLQHFMLQPJ-NRFANRHFSA-N 352.478 2.804 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 95798031 PTKQWCOSPHHWRV-YOVQGTCESA-N 362.473 2.891 0 1 FFAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H]1CO 95877472 MIIHJTNNRHDOHS-RCBQFDQVSA-N 365.271 2.559 0 1 FFAF COC(=O)[C@@]12C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]1CC[C@@H](O)C2 33829906 DJYUVQHOELNJST-ZXALIEMXSA-N 354.450 2.791 0 1 FFAF biogenic COc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 587112321 SVJKXZRCRPZAOD-UHFFFAOYSA-N 350.300 2.915 0 1 FFAF CC1=C(c2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)NNC(=O)C1 587151734 VEAURWUWCUJWLD-KRWDZBQOSA-N 369.375 2.645 0 1 FFAF CC1=C(c2ccc3nc(-c4cc(=N)[nH]c5ccccc45)[nH]c3c2)NNC(=O)C1 587253500 JRLDPSKMMJNTAJ-UHFFFAOYSA-N 370.416 2.946 0 1 FFAF O=C1CC=C(c2nc3cc4cn[nH]c4cc3[nH]2)NN1Cc1ccc(F)cc1 587163109 HKBUCBXNDYPTFD-UHFFFAOYSA-N 362.368 2.856 0 1 FFAF N[C@@H](Cc1cccc(Br)c1)c1nc2cnc(Cl)[nH]c-2n1 586984830 VCTSDYGQVZQSPV-VIFPVBQESA-N 352.623 2.963 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)C[C@@H]1C(=O)OCC)CC2=O 587480789 WGUMZAYPKYODQB-QRWLVFNGSA-N 361.438 2.564 0 1 FFAF CCOC(=O)COc1cccc([C@H]2NCCc3nc4ccccn4c32)c1 962984679 FVBQPBCTWBAHCS-LJQANCHMSA-N 351.406 2.511 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@H]2C=C[C@]1(O)C(=O)O2 11612569 AALLCALQGXXWNA-VSSGAAHASA-N 358.390 2.533 0 1 FFAF endogenous,in-man C[C@@H]1C(=O)N(C(=O)C2CCC2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13471492 RDGPTFKTYANQHR-RRQGHBQHSA-N 356.422 2.571 0 1 FFAF C/C(=C\Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12)CO 14762975 UFCGXNZEVGKUQA-WTDSWWLTSA-N 370.357 2.764 0 1 FFAF endogenous,in-man O=C(O)Cc1c2n(c3cc(F)ccc13)C[C@@H](Nc1ncc(F)cn1)CC2 203538918 UQFHBLFGFMVVQE-LBPRGKRZSA-N 358.348 2.764 0 1 FFAF CC[C@H]1C[C@H]2N3CC[C@]4(O)C(=Nc5ccccc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356412414 PEZABKYVKVIQFY-IZARDHJUSA-N 354.450 2.644 0 1 FFAF N=C(N)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](CC(=O)O)CC3)cc1 3825058 PBZHGABDBJBRAD-GFCCVEGCSA-N 351.406 2.803 0 1 FFAF Cn1cccc1C(=O)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 3955944 FLVVNSBDSDHECI-UHFFFAOYSA-N 352.482 2.939 0 1 FFAF CC(=O)c1ccc(N2C[C@@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1 29404131 WUUUCCODYRDPCB-HNNXBMFYSA-N 364.357 2.511 0 1 FFAF C[C@@H]1[C@H]2CC3=C(/C=C\[C@H]4O[C@@H]4[C@@]14C[C@H](c1ccoc1)O[C@H]4O2)C(=O)OC3 35051335 MWPURVLYOLKTOU-FYKWJHGJSA-N 356.374 2.669 0 1 FFAF CCOc1ccc(CCNc2nc(N3CCN(C)CC3)ncc2C)cc1 82202557 IOZHTHMDMKKRSA-UHFFFAOYSA-N 355.486 2.590 0 1 FFAF Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3N)nn2c(=O)c1C 147352663 KUJXGHTZZMMXBF-KRWDZBQOSA-N 365.437 2.589 0 1 FFAF c1ccc2[nH]c(N3CC[C@H](Oc4nccnc4C4CCOCC4)C3)nc2c1 96169023 SZHJJYPVSBBIHS-HNNXBMFYSA-N 365.437 2.905 0 1 FFAF COc1ccc2c(c1OC)C(c1ccc3c(c1)OCO3)=C1C(=O)OC[C@@H]1C2 238732430 CZEUIACCFFFCLU-ZDUSSCGKSA-N 366.369 2.964 0 1 FFAF Cn1cc(C2(Cn3cc(O)c(=O)c(C(=O)O)c3)CCCC2)c2ncccc21 144218586 YKBZPIPMXQQSFH-UHFFFAOYSA-N 367.405 2.651 0 1 FFAF N=c1[nH]cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550792 BRVGJYNZSOJZNA-BLLLJJGKSA-N 369.764 2.951 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(O)cc(O)n1)(C1CC1)O2 587411097 XPCMZVJHJDAIFY-SFHVURJKSA-N 373.434 2.685 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)O)cc2[nH]1 587194908 ZMSIFYMSGXHMBM-ZDUSSCGKSA-N 362.430 2.779 0 1 FFAF COC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797844 XTPQKVVYBMUFHC-BJOHPYRUSA-N 360.223 2.527 0 1 FFAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938659 YGJKISHAWYHUFR-MLCYQJTMSA-N 353.378 2.740 0 1 FFAF C[C@H]1CN(c2cnc3ccccc3n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 13472179 LGJJRSPXKQJVCL-QLFBSQMISA-N 364.453 2.577 0 1 FFAF C/C(=C\Cc1c(O)ccc2c1OC[C@@H](c1ccc(O)cc1O)C2=O)CO 14762898 VPCRIHAWNUNORJ-QJAKDZAUSA-N 356.374 2.643 0 1 FFAF endogenous,in-man C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162148 YIPMKFWEORGSOZ-WAXYWRFZSA-N 360.406 2.614 0 1 FFAF Nc1ccccc1-c1nc(SCC(=O)Nc2nc3ccccc3[nH]2)n[nH]1 1857646922 JQRHLOPTBCOFEO-UHFFFAOYSA-N 365.422 2.661 0 1 FFAF O=C(NCC(=O)N(CCO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1 3817262 YAFZVFCDUNEXRQ-UHFFFAOYSA-N 371.824 2.577 0 1 FFAF CCCCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356298588 MOTGDGKGLSJPSP-LSTHTHJFSA-N 367.497 2.970 0 1 FFAF CCN1CCN(C(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)CC1 58056265 KQLHCIZSEOTYFG-UHFFFAOYSA-N 363.465 2.815 0 1 FFAF COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1C 116828268 YLJWAAAZHFEDGV-CALCHBBNSA-N 366.465 2.619 0 1 FFAF COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@H]3C[C@]21CCN3C 102957225 GRTJJLDQBHAIRY-CIISACIHSA-N 352.228 2.524 0 1 FFAF CCCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 27303990 JNWPWBXAZQWUCW-HNNXBMFYSA-N 368.861 3.000 0 1 FFAF OCCc1c([C@@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccccc12 2356467828 GTKKLIYNQCXJMH-UXHICEINSA-N 350.418 2.669 0 1 FFAF CO[C@@H]1C[C@]2(CC[C@@]3(C)[C@@H]2CC[C@@]24C[C@H](CC[C@H]23)[C@](O)(CO)C4)C(=O)O1 2356555097 JGJQQOVNDDCZBN-RNEWWQCISA-N 364.482 2.632 0 1 FFAF C[C@@H](CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743862 XGHZIOVZCANMOF-SGTLLEGYSA-N 362.857 2.789 0 1 FFAF COC(=O)c1ccc2c(c1)C[C@@H](OC(C)=O)[C@@](C)(C/C=C/C(C)(C)O)O2 69482042 SWSDHHIUKXEGAW-JWLNDWNSSA-N 362.422 2.816 0 1 FFAF biogenic,in-vitro C/C=C1/CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 211242249 WHGSMDTWNZJGPS-QWCNWJGKSA-N 370.449 2.520 0 1 FFAF COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@H](N(C)C)CC2 13434563 MLHOGHQSSRAXKU-OAHLLOKOSA-N 371.433 2.994 0 1 FFAF biogenic O=C(O)CNC(=O)c1nc(-c2ccccc2)cc2c1ncn2-c1ccccc1 40422945 WGYLKBODGCGXHY-UHFFFAOYSA-N 372.384 2.902 0 1 FFAF Cc1ccccc1CC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 45370141 IPPHWQIXUDIHFZ-SFHVURJKSA-N 370.449 2.676 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cc1 253636448 ZYHSHBUXMTUHNX-GNBUJSLZSA-N 361.482 2.699 0 1 FFAF CCCc1c(O)ccc2c1OC1(CCN(CCC(=O)OC)CC1)CC2=O 587481119 XWIDIYNCFCCCGU-UHFFFAOYSA-N 361.438 2.708 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@H]([C@@H]1C(=O)OC)N2C 587489181 STYRFOYVBRMUKU-HMTMSYCRSA-N 373.449 2.704 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C 586933504 TWEMRCRASCJYHA-MRXNPFEDSA-N 367.471 2.751 0 1 FFAF COc1cc(C2(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC2)ccc1C 587926491 HVYBIFQEKFJULY-UHFFFAOYSA-N 357.435 2.607 0 1 FFAF N=c1[nH]cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc-2[nH]1 587018328 VSNWNJACCVPZGV-UHFFFAOYSA-N 360.406 2.554 0 1 FFAF O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)c(O)c1 13673945 GNCYCUKUNFCTIX-UHFFFAOYSA-N 352.705 2.845 0 1 FFAF Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 19172033 MXXRRQYMHUVGHJ-WOIUINJBSA-N 361.445 2.921 0 1 FFAF COc1ccc2c(c1)-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2 169704384 WYZIYTDSEGJTKJ-UHFFFAOYSA-N 360.421 2.760 0 1 FFAF COc1cc(OC)cc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726077 FZVGEJMLVMKKAZ-CVEARBPZSA-N 352.415 2.935 0 1 FFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 1142970 BTZIDJQRUXBZIL-OBMJPTGESA-N 361.397 2.942 0 1 FFAF C[C@@H]1CCCCN1CCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 2464933 CMCMCIBIOLOFFU-OAHLLOKOSA-N 374.481 2.800 0 1 FFAF COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 52969593 XJMMEKJKQHBMMQ-HNNXBMFYSA-N 351.443 2.890 0 1 FFAF CC=C(CCO)C(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356311851 SMNSOYCWHNOSGA-KRWDZBQOSA-N 358.390 2.747 0 1 FFAF CCOc1ccccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116828283 SVJABYULFNNZDM-IRXDYDNUSA-N 366.465 2.701 0 1 FFAF NC(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117621594 AHSKOFYKTBZUIW-PXNSSMCTSA-N 374.444 2.996 0 1 FFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@@H]1O 2356817904 DOOTWSIZSJRCPQ-VOYUGNDVSA-N 363.527 2.523 0 1 FFAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2O 38147683 OMYDADTZOQJGJY-IBGZPJMESA-N 354.337 2.735 0 1 FFAF COc1cc(-c2coc3cc4c(c(O)c3c2=O)OCO4)cc(OC)c1OC 14437442 MYRVHFCVBNAMRK-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF biogenic O=C(NC1CCCCC1)c1nnc2n1CCN(C(=O)CCC1CCCC1)C2 74376862 DXZJWESLRZGVKP-UHFFFAOYSA-N 373.501 2.653 0 3 FFAF O=Cc1c(O)ccc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 221063434 UPGHFKZELSWJCW-UHFFFAOYSA-N 362.385 2.892 0 1 FFAF COC(=O)Nc1noc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc12 142471141 FCNULDOBLQEJIA-UHFFFAOYSA-N 367.369 2.976 0 1 FFAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895209 CVNWYMQYTIAHNN-RZUBCFFCSA-N 370.493 2.798 0 1 FFAF CC(=O)O[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 238757236 DDRUVFKWNXGBTK-MDOTZSGJSA-N 354.450 2.790 0 1 FFAF COc1ccc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1O 238741191 RDQYZETVAPDYFY-FQNPWXFGSA-N 354.358 2.929 0 1 FFAF COc1ccc(-n2c(=O)cnc3cnc(Nc4cccc(N)c4)nc32)cc1 96933679 FZEFYHUOKWGELA-UHFFFAOYSA-N 360.377 2.510 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4oc(=N)[nH]c4c1)[C@@H](C2)C3=O 587434779 ZPIKXNAPQVEFEW-GTNSWQLSSA-N 352.346 2.746 0 1 FFAF CCOc1cc(C(C)=O)c(OCC)n1-c1c[nH]cc(Br)c1=O 587941453 OUWJJPFFLQPHEN-UHFFFAOYSA-N 369.215 2.928 0 1 FFAF O=C(O)COCc1nc2cc(Br)c(Br)cc2[nH]1 587563189 OVOAOVFERFAYJO-UHFFFAOYSA-N 363.993 2.689 0 1 FFAF COc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 587132121 KKPPLEFQOASVFQ-SECBINFHSA-N 354.357 2.936 0 1 FFAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CCNCC1 1772640913 HYRFAZNYCCTVKT-UHFFFAOYSA-N 358.833 2.854 0 1 FFAF Cc1nnc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C2CC2)N3)s1 13123776 YHWPRGCINJTQEI-SCZZXKLOSA-N 372.376 2.993 0 1 FFAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)cc3F)c12 169697372 YJSNJLPJDKIKLK-UHFFFAOYSA-N 367.388 2.690 0 1 FFAF CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)cc1C 4660804 GKXGEFVEXTYUBD-UHFFFAOYSA-N 362.407 2.761 0 3 FFAF CNC(=O)Nc1cc(Oc2cncc(OC)c2)c(C2CCOCC2)cn1 1857543569 NPKIDQHSXJPGIB-UHFFFAOYSA-N 358.398 2.923 0 1 FFAF Cc1nc(NC(=O)OC(C)(C)C)sc1-c1csc(=NCCO)[nH]1 1857547184 WWUPCEYMTCIFHX-UHFFFAOYSA-N 356.473 2.748 0 1 FFAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](O)CO 777254 AXHMCTVXFAWNAB-VIFPVBQESA-N 370.808 2.515 0 1 FFAF CCOc1sc2nc(C)n(CC(=O)N3CCC(C)CC3)c(=O)c2c1C 6724163 MSKJJPLFPFOWKB-UHFFFAOYSA-N 363.483 2.732 0 1 FFAF CCCn1c(=O)cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643168 XOUOEUATRAFRCX-HZPDHXFCSA-N 353.466 2.767 0 1 FFAF COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1 26397450 DOBJOTDRYIQQFO-UHFFFAOYSA-N 357.362 2.675 0 1 FFAF CC(=CCCC1=CCC[C@](C)([C@@H](O)CCC(C)=CCO)OC1=O)CO 2356427988 SUTOKLTWMNXOJT-AZUAARDMSA-N 352.471 2.807 0 1 FFAF CC(C)n1c(=O)n(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c2ccccc21 27083407 AJHCSFKCWMDCCD-MQVJKMGUSA-N 356.470 2.957 0 1 FFAF COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3[C@@H]2CO)ccc1O 2356554341 UVDICCHWGJQZBX-XOBRGWDASA-N 358.390 2.625 0 1 FFAF C=Cc1c(C)cc(O)c2c1[C@H](O)[C@H](O)[C@H]1[C@@]23C[C@H]3CC[C@@]1(C)C(=O)OC 2356669097 MQEUTRGOTKQOBL-DNHXZKOJSA-N 358.434 2.599 0 1 FFAF COC(=O)[C@H](CO)[C@H](O)CCCC[C@@H](C)CC(C)=CC(C)=CC(=O)O 2356711378 WKPLWDFQTVJLIX-KBRIMQKVSA-N 356.459 2.693 0 1 FFAF COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@@H]3C[C@]21CCN3C 31905115 GRTJJLDQBHAIRY-HPEXNQPKSA-N 352.228 2.524 0 1 FFAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298334 KTRFAYDIKHWOAQ-NXHRZFHOSA-N 367.497 2.925 0 1 FFAF biogenic NC(=O)N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 36381481 IEBDJJSNWSWVRL-UHFFFAOYSA-N 367.272 2.773 0 1 FFAF CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196197 JHOYYXXBJTZNFK-UHFFFAOYSA-N 354.410 2.597 0 1 FFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95794010 ZOVGZWZPHZVLOP-VQTJNVASSA-N 354.494 2.628 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CC3)[C@H]2CN(CC)C(C)=O)cc1 95895502 WZZBQVBPQMPBSP-KHLHJEJXSA-N 370.493 2.653 0 1 FFAF CN1CCN(c2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)CC1 587151197 QTLIAGFNWLVVDL-SFHVURJKSA-N 357.408 2.641 0 1 FFAF O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2CN1)-c1ccccc1C5=O 586989314 DOXXKWALUWGZEI-MFKMUULPSA-N 356.381 2.928 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 587252318 CGZUMYAXEPSPPX-UHFFFAOYSA-N 356.407 2.809 0 1 FFAF O=C1C[C@H](CCCNS(=O)(=O)C2CC2)Oc2c1ccc1c2CCCC1 587533734 VDUDIDVYLPXLCV-AWEZNQCLSA-N 363.479 2.761 0 1 FFAF COC[C@@]1(CCCCC2OCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457144 ZSGSNMJDNRXAAJ-FOIQADDNSA-N 362.422 2.761 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)N1 962954391 RBHZEDWAALJGGM-YLNDJPJSSA-N 370.449 2.660 0 1 FFAF Cc1cc2c(cc1O)[C@H](c1ccnc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963511078 SWIIYOOBDSILBL-WFASDCNBSA-N 352.312 2.803 0 1 FFAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc2c1OCO2 1772570127 TVQFNDFRRSORCP-LSDHHAIUSA-N 368.437 2.940 0 1 FFAF CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)Nc1ccnn1C 13583748 PCYJVFFBAYHRIP-ZDUSSCGKSA-N 366.462 2.649 0 1 FFAF O=C(NCCc1cccs1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 14999951 MDYLQCVXINRAPQ-KRWDZBQOSA-N 358.419 2.523 0 1 FFAF C[C@@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](C)C1 17188133 BQTZQFAWZXWIHI-RTXMHDOLSA-N 357.450 2.959 0 1 FFAF CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 169308319 DJRLVHJVKUASQC-GXTWGEPZSA-N 369.473 2.519 0 1 FFAF NC(=O)c1cc[n+](CCCCN2C=C(Cl)C(=CN=O)C(Cl)=C2)cc1 1857537095 JMHUUJXYXORTEY-UHFFFAOYSA-O 368.244 2.980 0 1 FFAF NC12CC3C[C@@](CCCO[N+](=O)[O-])(C1)C[C@@](CCCO[N+](=O)[O-])(C3)C2 1857768893 KBHZFCCAXXCBGA-LVDPKSTMSA-N 357.407 2.631 0 1 FFAF CC(C)Nc1nc(S[C@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 804848 MOIKEUPMHVSPFZ-GFCCVEGCSA-N 360.487 2.877 0 3 FFAF O=C(O)C[C@@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2cnccc2[nH]1 2356441241 LDEGOYLUSKGGRL-LSDHHAIUSA-N 365.437 2.508 0 1 FFAF O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc(Cl)cn1 2665232 IESJRBMBHBHFQC-GHMZBOCLSA-N 350.802 2.612 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100275713 YKLKQIKUUSJQGC-GZXFCSGKSA-N 365.429 2.652 0 1 FFAF CC[C@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)c1cccs1 20783661 WLTGNTMUEQPNAA-HNNXBMFYSA-N 360.483 2.563 0 1 FFAF CC(CC[C@]1(C)C(=O)CC[C@H](O)[C@]1(C)O)=C1C[C@H](c2ccoc2)OC1=O 2356614301 OXEYBYROEZOPME-VUBSUSDNSA-N 362.422 2.845 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](N)C[C@@H]2C(=O)N3)cc1 2356810758 BBDQMFJYEKMDSS-RDTXWAMCSA-N 367.474 2.960 0 1 FFAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)Nc1ccccc1 2356874890 ZWFRJVDUCDXHKM-ZHALLVOQSA-N 358.555 2.779 0 1 FFAF C[C@@]12C(=O)N(C3CCCCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 2087758 OJFYFJCBLZCHAF-OAQYLSRUSA-N 351.450 2.943 0 1 FFAF biogenic Cc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2cccnc2)cc1 37866894 AAKYALYUIAIXEB-OAQYLSRUSA-N 351.450 2.630 0 3 FFAF CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O 45357068 MVVWCXJLPQXNJG-UHFFFAOYSA-N 358.467 2.716 0 1 FFAF Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O 45496649 JTAMWNPJYHNWBD-IDCXYZFESA-N 370.468 2.975 0 1 FFAF CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCN2)n[nH]1 49050828 BOCYZSUKEUEUKP-LBPRGKRZSA-N 368.466 2.769 0 1 FFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCO)cn1 143195659 DRFVSJCRDHQNKN-UHFFFAOYSA-N 367.405 2.736 0 1 FFAF CNC(=O)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144793058 PDFJZEYOZBTUPH-QGZVFWFLSA-N 351.324 2.980 0 1 FFAF CCC(CC)(NC(=O)c1cc(OCC2CC2)c(C2CC2)cn1)C(=O)NC 146331231 CJQDLZDKTWSCGN-UHFFFAOYSA-N 359.470 2.782 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3nc(C)cnc3C)CC2)c1 95570532 OXHGSDLXZBXWLP-UHFFFAOYSA-N 356.499 2.624 0 1 FFAF O=C(/C=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1ccc(F)cc1 587167113 MQATWNVJLBCSLQ-BQYQJAHWSA-N 361.354 2.601 0 1 FFAF COCc1nnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)s1 587869455 KGXQMRPQHWVOEJ-UHFFFAOYSA-N 371.344 2.960 0 1 FFAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)C(C)(C)C 587205319 PHVSSNDNANRLPZ-MRVPVSSYSA-N 367.475 2.829 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ncnn3c1C)CC2=O 587481787 IEORVTJMTYRZGQ-LJQANCHMSA-N 352.394 2.971 0 1 FFAF CC[C@@H]1[C@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H](C(=O)[C@H]2CO)[C@@H]1N3C 1772604352 UGFONMYHUROHEF-UHSWJNIVSA-N 354.450 2.853 0 1 FFAF Cn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(O)n3)cc21 1772641745 RTKCTCZKDPTAQJ-LJQANCHMSA-N 354.385 2.648 0 1 FFAF CCNCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C 1772601546 ZXXCJPMCFOVLOG-ZSOIEALJSA-N 356.401 2.811 0 1 FFAF CCc1cc2c(cc3c(=O)n(CC(=O)N4CCCCC4)nc(CC)n32)s1 5131640 NESYKJPOCNDUTD-UHFFFAOYSA-N 372.494 2.848 0 1 FFAF CCc1c(-c2ccc(N3CC[C@H](O)C3)cc2)nc(O)c2c(O)nsc12 1857620801 JRIPFXGWBPUXDC-LBPRGKRZSA-N 357.435 2.903 0 1 FFAF CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)C=C[C@@H]1C 253986964 NULFXNYRJYPFQC-LAQRGFTBSA-N 362.422 2.515 0 1 FFAF CC(C)[C@@]12C[C@@H](O)C(=O)[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@]31O2 59779064 RSAYSRGOTMBJBX-SFVCOIAFSA-N 350.455 2.791 0 1 FFAF CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 28821282 VODYLGKYBHYDON-UHFFFAOYSA-N 362.514 2.537 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 2356663591 NJKMRMVURXZVOC-OHKDHJGCSA-N 358.390 2.534 0 1 FFAF COCCNC(=O)C[C@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 74373254 VIWPVDVIEOENLB-OAQYLSRUSA-N 367.449 2.846 0 3 FFAF CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)O)cs1 82071469 LOOGAENMISQDED-ZDUSSCGKSA-N 350.465 2.822 0 1 FFAF Sc1nc(S)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587043258 YGNOXCAVXKCSBB-VHSXEESVSA-N 361.521 2.877 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898409 KRDPRYUXYHDWRW-UHFFFAOYSA-N 357.435 2.599 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587828536 PCFXVCQOIKZCDL-AMWCCXIJSA-N 366.230 2.914 0 1 FFAF CCCc1nc(-c2nc3c(O)nc(S)nc3[nH]2)nn1-c1ccccc1F 587156768 YRBJEQVURSNHPG-UHFFFAOYSA-N 371.401 2.687 0 1 FFAF C=CC(=O)Nc1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587243728 KPWJRYZOZBNGIO-UHFFFAOYSA-N 370.434 2.605 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587454105 RSUOACNWYZXSBX-VBKZILBWSA-N 350.326 2.942 0 1 FFAF N=c1[nH]c2c(s1)-c1nc3nc(O)nc(O)c3cc1[C@@H](c1ccccc1)C2 587563151 FOXNSSQLOSFMFP-SECBINFHSA-N 363.402 2.660 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OCC(=O)O)[C@@H](C2)C3=O 587442489 YFVHNKTVGUWRKU-VBKZILBWSA-N 370.357 2.656 0 1 FFAF CC[C@]1([C@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570888 JRCWYIUOUXQOIJ-BJZITVGISA-N 371.345 2.811 0 1 FFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1nccs1 169080710 GDLJBFJWPRPWQB-UHFFFAOYSA-N 366.446 2.948 0 1 FFAF Nc1ncnc2c1C(=O)N(c1ccc(-c3ccccc3F)cc1)CCO2 169324850 ZWIZMLXNSSZFNG-UHFFFAOYSA-N 350.353 2.904 0 1 FFAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 209374041 QWXPRYBBALHARO-GFCCVEGCSA-N 355.398 2.866 0 1 FFAF CC(C)c1cc(C(=O)N2CCC[C@@](O)(c3cc4ncccc4[nH]3)C2)on1 1857539015 APJHEVLVYQBAGA-IBGZPJMESA-N 354.410 2.798 0 1 FFAF CCCC[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2o1 64539663 WNHLSUXSXXFTRC-CVEARBPZSA-N 371.437 2.696 0 1 FFAF C[C@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O 28524588 XKQFRDLXFMGRRR-NSHDSACASA-N 365.364 2.552 0 1 FFAF COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NC3CC3)no2)cc1 8623830 RYLHVVYAQBUVLH-HOTGVXAUSA-N 369.465 2.787 0 1 FFAF biogenic NC(=O)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 34216071 KPGKGVDBLBLLSF-UHFFFAOYSA-N 358.405 2.644 0 1 FFAF O=C(O)c1cc(Cl)ccc1N[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 96938814 JOKSROGBNNAGGJ-HOZXKAFVSA-N 352.818 2.682 0 1 FFAF CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@H]21 95894356 HLIDLPOCEKCMCM-GGPKGHCWSA-N 368.408 2.551 0 1 FFAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cc[nH]n2)n1 145095042 VEMPMCCILDQLIZ-OAHLLOKOSA-N 353.382 2.592 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586929821 ATPNKAMNUCBEME-UHFFFAOYSA-N 355.769 2.669 0 1 FFAF O=C(O)CC[C@@]1(c2ccccc2)CCCc2cc3c(O)nc(O)nc3nc21 587561533 SWSLDASLQKXZQZ-HXUWFJFHSA-N 365.389 2.923 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CCC(=O)O)c1C)[C@@H](C2)C3=O 587432063 MIQWIMOQXIOCON-XOBRGWDASA-N 370.405 2.646 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1Br 586979353 BAELQWMKKBGPCL-NSHDSACASA-N 365.191 2.838 0 1 FFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 587932609 QSDFCCWTUYOLQP-XIKOKIGWSA-N 357.435 2.664 0 1 FFAF CCOC(OCC)[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962647027 UEUHYFLLKRKLPX-LEWJYISDSA-N 372.465 2.948 0 1 FFAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)c2nn(C)cc2CCN1C 963956542 YBNBLNICRVZQOP-GOSISDBHSA-N 365.836 2.897 0 1 FFAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@@H]1CCCNC1 1772651594 ALFCMIDACCFSPY-LLVKDONJSA-N 358.833 2.854 0 1 FFAF O=C(Cc1ccsc1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 11822021 CSYGYANJKMQTFB-FQEVSTJZSA-N 369.490 2.727 0 1 FFAF COc1ccc(C[C@H]2CO[C@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642303 VHLUROMCVXTWNM-MRUHUIDDSA-N 372.417 2.799 0 1 FFAF endogenous,in-man NC1=N[C@H](c2c(Br)[nH]c3ccc(Br)cc23)CN1 15122149 WKESXLRJTZSTJI-QMMMGPOBSA-N 358.037 2.652 0 3 FFAF biogenic NC(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 150034427 FLVXUOOZOMZARL-GOSISDBHSA-N 365.433 2.704 0 1 FFAF CC(C)(CN)Cn1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)ccc1=O 205261674 CEQYRHVPNYLAKA-UHFFFAOYSA-N 374.448 2.834 0 1 FFAF CC(C)COC(=O)[C@H]1C(=O)Oc2ccccc2[C@@H]1C(=O)NC1CCCCC1 205523640 OCZYDCSUZZQPKY-ROUUACIJSA-N 373.449 2.954 0 1 FFAF CN1CCC[C@H](NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)C1 118674026 UHYZCMYXHGAMGC-NSHDSACASA-N 356.451 2.821 0 1 FFAF COCCOc1n[nH]c2cc(NC(=O)NC[C@H](C)c3ccccc3)ncc12 209379039 APNLHOVEQFBCKI-ZDUSSCGKSA-N 369.425 2.908 0 1 FFAF CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)s1 1379660 MUSDRYIBCNHBTF-GFCCVEGCSA-N 351.476 2.546 0 3 FFAF COCC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 3951608 DTJQBBHYRQYDEG-RLHIPHHXSA-N 368.477 2.882 0 1 FFAF COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@@H](C)CC(=O)C[C@H]1OC 4245626 IIUZTXTZRGLYTI-RIXGKMLKSA-N 354.786 2.685 0 1 FFAF COc1ccc(NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100446733 HOFGJNIUBPELBO-XAUMDUMWSA-N 352.390 2.662 0 3 FFAF COc1cccc(OC)c1OCCN[C@H]1COC[C@H](c2ccccc2)O1 103218952 DQYGZGICNZREJA-RTBURBONSA-N 359.422 2.786 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN[C@@H](C)[C@@]12CC[C@@H]2C 27744335 PERXRZUOQHGJMN-ZKBKOZIGSA-N 351.878 2.827 0 1 FFAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4Br)C[C@H]32)n1 116824798 GATCPBZBYFRAAH-SWLSCSKDSA-N 373.254 2.508 0 1 FFAF CC(C)[C@]1(O)C=C[C@@](C)(O)CC[C@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356600877 CUWYFUIWYABLKL-IJXRJRJASA-N 352.471 2.638 0 1 FFAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@](C)(O)[C@@H](O)CC1)[C@@H](C)C(=O)O2 2356653198 FZQSMOGFOFEWKN-UQZPWQSVSA-N 354.487 2.718 0 1 FFAF CC(C)NC(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 27517413 VKIJUPCSSYZIAR-HJWJTTGWSA-N 358.438 2.721 0 1 FFAF Oc1cccc(-c2cc(N3CCOCC3)nc(OCc3ccccn3)n2)c1 66251984 MXXPOENLOVLPTF-UHFFFAOYSA-N 364.405 2.660 0 1 FFAF COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)cc(OC)c3)O2)cc1 45253011 YWNKQWTWCLRXOZ-IBGZPJMESA-N 356.378 2.952 0 1 FFAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCNC(C)=O 82186421 AOHZERMZOYMPIP-UHFFFAOYSA-N 367.457 2.627 0 1 FFAF C[C@@H]1C(=O)N(C(=O)C2[C@@H](C)[C@@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 40374346 UOZDCCIXXAQPLF-NZEYMJGSSA-N 370.449 2.673 0 1 FFAF CCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1 225535085 QHFSOXWMGPTXHY-UHFFFAOYSA-N 366.469 2.949 0 1 FFAF CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82140888 MMWORSIERIBSRP-ZDUSSCGKSA-N 358.417 2.648 0 1 FFAF COc1cc([C@H]2C[C@@]2(CO)C(=O)Nc2ccccc2)cc(OC)c1OC 95593922 QOJRMWXYWWUAQY-QRWLVFNGSA-N 357.406 2.817 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895730 WCWJXTHBZWBNSK-UHFFFAOYSA-N 359.451 2.801 0 1 FFAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587938637 XZESQTOAUZOLST-GTNSWQLSSA-N 360.435 2.812 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S)ccc3F)[nH]c12 587142560 FJKOJEGLVRDONO-UHFFFAOYSA-N 351.428 2.908 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)O2 587398118 BXQAXZLLQVBKDB-YCRPNKLZSA-N 350.418 2.803 0 1 FFAF Cc1c(Br)cnc2[nH]c(CSc3nc(O)cc(O)n3)nc12 586967076 UHMBRPVGWPQRCO-UHFFFAOYSA-N 368.216 2.522 0 1 FFAF CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)CC2 587211628 VDXBTQPWXYOWCY-SFHVURJKSA-N 365.389 2.528 0 1 FFAF C[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)N(C)C 587191020 KIXAMLJQPYGEKV-ZCFIWIBFSA-N 362.069 2.976 0 1 FFAF COCC(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587563142 MXGOVXZHHZAQMQ-UHFFFAOYSA-N 367.121 2.982 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3ccc4ncccc4c3[nH]2)cc1 586947340 WGPRBGGNKHYFME-UHFFFAOYSA-N 366.446 2.804 0 1 FFAF CCOC(=O)c1c[nH]nc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962564197 GPGFJGYRYGYQMT-PIGZYNQJSA-N 359.426 2.569 0 1 FFAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)NCCc2ccccc2)cc1OC 5035895 GELUSSLIXXCJJG-OXQOHEQNSA-N 369.417 2.667 0 1 FFAF CCNC(=O)N(CCOC)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12507511 HMMSTUTWZZJMJY-KRWDZBQOSA-N 359.514 2.544 0 3 FFAF CC(=O)c1ccc(N2CCN(C(=O)c3cccc4c3OCO4)CC2)cc1 205134356 DMMCIDWTIANLLD-UHFFFAOYSA-N 352.390 2.580 0 1 FFAF COc1ccc(F)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccccc1 1857633989 BQGQNHDGVJEHRZ-LBPRGKRZSA-N 366.414 2.926 0 1 FFAF O=c1[nH]c2ccc(N3CCCC[C@H]3CCO)nc2nc1Cc1ccccc1 766842 WVNKXGQFWOEZKY-INIZCTEOSA-N 364.449 2.650 0 1 FFAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 2467469 DDCRJDFEKDNMLM-LPHOPBHVSA-N 350.418 2.679 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC 6385020 CUVDIPGTXCBTQZ-AWEZNQCLSA-N 368.449 2.526 0 1 FFAF C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839816 STZRZIMQWDRFEY-SWLSCSKDSA-N 373.478 2.683 0 3 FFAF CCCc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(F)cc2)cc1 7813535 FWECHTYYAYMCOJ-UHFFFAOYSA-N 371.455 2.788 0 3 FFAF COc1cc(O[C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 2356286294 IABRXERCCIPDNL-LHHVKLHASA-N 374.389 2.854 0 1 FFAF CC(=O)OCC(CCn1cnc2cc(Cl)c(Cl)nc21)COC(C)=O 27735710 UJNLIVFMTXGCOI-UHFFFAOYSA-N 374.224 2.871 0 1 FFAF CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 26378101 WEBCNVIMCWFUBF-JKSUJKDBSA-N 372.465 2.863 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CCC[C@H](C)[C@@]21C 2356498785 IUCVWQKXCCLBGN-DITQCUTLSA-N 350.411 2.897 0 1 FFAF COC(=O)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@H]2CO 14917804 SIZFHMVDXZLUER-OALUTQOASA-N 363.417 2.538 0 1 FFAF biogenic CCCNC(=O)c1coc(NC(=O)c2ccccc2Br)n1 84759511 AZXRINLMXIFDRC-UHFFFAOYSA-N 352.188 2.829 0 1 FFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1 144718637 MGWLMLAJIWEVCJ-SFHVURJKSA-N 363.335 2.938 0 1 FFAF O=C(NCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 141402129 FGPQYKHAVCWLAO-UHFFFAOYSA-N 373.796 2.691 0 1 FFAF Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)[nH]n1 144721767 ZMZDYRYLCXDKSP-MRXNPFEDSA-N 367.409 2.901 0 1 FFAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1 653786544 RDIHGEWQTUKWFJ-UHFFFAOYSA-N 366.400 2.965 0 1 FFAF COc1c[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1=O 587775015 YBDFFCTYYMVHIA-VPTHRUTESA-N 367.218 2.909 0 1 FFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 587125858 HAKKRNMOLNXCGT-INEUFUBQSA-N 372.742 2.541 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C(=O)O)cccc21 587484993 PETWVFPMDXKWKF-HXUWFJFHSA-N 367.357 2.856 0 1 FFAF O=C1C[C@@H](Cc2nc3ncc[nH]c-3n2)c2c(Br)cccc2O1 587004590 XMKHLXHNBJDKFG-MRVPVSSYSA-N 359.183 2.702 0 1 FFAF CN(C)C(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033876 BZNRMTPPTBCCMB-UHFFFAOYSA-N 368.462 2.745 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ncnc2[nH]1)C[C@H]1CCCO1 587196956 DKDBDXFDRXAPNH-SNVBAGLBSA-N 367.837 2.922 0 1 FFAF C[C@]1(c2nc3c(S)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173332 BPIIJEIUBRHPRM-OAHLLOKOSA-N 362.411 2.698 0 1 FFAF N=c1nc(O)c2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2[nH]1 587152241 YJPIYCFURPZJKU-AWEZNQCLSA-N 369.331 2.918 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCNC2=O)N1 587791061 DZFFQVQDPGYKMQ-SEFYAATASA-N 355.251 2.864 0 1 FFAF CCOC(=O)C1=C(C)N(CCC(=O)O)C(=O)N[C@@H]1c1ccccc1Cl 13125826 QWNXXUWMKIHCOI-OAHLLOKOSA-N 366.801 2.718 0 3 FFAF O=C(NCCn1cc(Cc2c[nH]c3ccccc23)nn1)c1ccccc1F 169328188 PFWLJEJZUWFZDM-UHFFFAOYSA-N 363.396 2.919 0 1 FFAF COc1ccccc1N1CCN(c2nc(O)c3c(n2)CC[C@H](C)C3)CC1 1857536174 UEQBNHNPGWISOI-AWEZNQCLSA-N 354.454 2.642 0 1 FFAF NCc1cc(Oc2cccc(C(=O)NCc3cc4cccnc4[nH]3)c2)ncn1 1857599065 GUXRXJWKOKTQNX-UHFFFAOYSA-N 374.404 2.534 0 1 FFAF O=C(O)CCC(=O)Nc1cc(Nc2cccc(Br)c2)ncn1 1857653629 QQXMRXPWWTVNEJ-UHFFFAOYSA-N 365.187 2.786 0 1 FFAF O[C@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(Cc2c[nH]c3ccccc23)C1 2356373675 FTVZBDFIYPGFDY-YJBOKZPZSA-N 361.405 2.921 0 1 FFAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1 2356298044 OVLJPFVDUKLKNT-ZOBUZTSGSA-N 350.532 2.922 0 1 FFAF O=C(NCCNC[C@H](O)COc1cccc2occc12)Nc1ccccc1 29214124 WXCAFHGKQVBFOE-INIZCTEOSA-N 369.421 2.584 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CCC[C@@H](C)[C@]21C 2356498786 IUCVWQKXCCLBGN-KCLPUUNOSA-N 350.411 2.897 0 1 FFAF COC(=O)c1ccccc1-n1c([C@H]2CCC(=N)N2)nc2ccccc2c1=O 2356581522 YRDOREWIUUVFFE-OAHLLOKOSA-N 362.389 2.574 0 1 FFAF O=C(c1cc2ccc3cccnc3c2[nH]1)N1CCN(C(=O)c2ccco2)CC1 20575454 QQWCUCKNGDIMAT-UHFFFAOYSA-N 374.400 2.907 0 1 FFAF COC(=O)C=C(C)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]21C 2356639176 HLWQPWKHHFLJCJ-ANDBQTFBSA-N 368.514 2.821 0 1 FFAF CC[C@]12CCCN3CC(=O)c4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 2356651812 CSZMJHLPPJDDBA-JBACZVJFSA-N 368.433 2.593 0 1 FFAF COc1ccc(C[C@@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1O 2356837570 LKVJCXLZBZBWSA-CQSZACIVSA-N 371.389 2.599 0 1 FFAF Cc1nc(C(=O)NCC(=O)O)c(O)c2c(Oc3ccccc3)cccc12 218413416 NYILPNIUMFHXBD-UHFFFAOYSA-N 352.346 2.856 0 1 FFAF CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 74377363 JVMVTCORFZDLSX-RBUKOAKNSA-N 370.474 2.981 0 3 FFAF CCOc1ccc2[nH]nc(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)c2c1 225562229 ADJWGMJOLPNBAB-OKILXGFUSA-N 351.410 2.786 0 1 FFAF O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2 40422692 ZHAPIVDSOYQLEM-UHFFFAOYSA-N 350.871 2.507 0 1 FFAF CCOc1cc([C@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)ccc1OC 40406092 IRYSEMPQXFLMBJ-HNNXBMFYSA-N 369.373 2.906 0 1 FFAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 82181275 YUPUJJMUHFUMJK-UHFFFAOYSA-N 356.455 2.513 0 1 FFAF N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142905858 VMVSNRMSJYGJSA-NEPJUHHUSA-N 354.332 2.755 0 1 FFAF CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O 238739709 ROAIDQLMFVFLRW-UHFFFAOYSA-N 372.373 2.986 0 1 FFAF COc1ccc(NC(=O)C(=O)c2cn(C[C@@H]3CCO3)c3ccccc23)cn1 653786557 VPLXOXHAKKBOBG-AWEZNQCLSA-N 365.389 2.655 0 1 FFAF O=C(c1cn[nH]c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659195 YZCJNAIASIGTGL-UHFFFAOYSA-N 352.300 2.753 0 1 FFAF COc1ccc(CNC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587655236 XVUVINZJKOQUHA-UHFFFAOYSA-N 359.838 2.981 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2cc3c(cc2[nH]1)OCO3)C(F)(F)F 587127116 MKEZMWVMJKKKJU-UHFFFAOYSA-N 371.296 2.647 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 586926933 QOPLHSOJOISJAW-UHFFFAOYSA-N 352.213 2.791 0 1 FFAF O=C(Nc1nc(Cc2nc3cccnc3[nH]2)cs1)c1cccc(O)c1 587019258 IXUAAUKLXQZEAE-UHFFFAOYSA-N 351.391 2.963 0 1 FFAF COc1ccoc1[C@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638786 NPDVTNMRJREQQJ-RNCFNFMXSA-N 357.284 2.875 0 1 FFAF C[C@@]1(c2ccc(N)c(N)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971002 RZEHMFYGMGQLPM-GUYCJALGSA-N 367.783 2.645 0 1 FFAF Cc1nc2nccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 206112822 QKUWPBOCGZKIAG-UHFFFAOYSA-N 350.426 2.825 0 1 FFAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccc(F)cc1 1772583749 HSCHCCUEBPJIKY-VTEWUSFYSA-N 369.392 2.981 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CCNC3)c2cn1)c1ccccc1 1772628598 NZLYPZYITRAUGE-OCCSQVGLSA-N 365.441 2.614 0 1 FFAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)C[C@H]4O)OCO3 14966500 BZJWIBFUENZRJZ-UONOGXRCSA-N 355.390 2.676 0 1 FFAF biogenic,in-vitro O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166658726 HUKQLRIIAYRCBJ-GOSISDBHSA-N 366.421 2.538 0 1 FFAF Cc1nnc2ccc(C(=O)NC3CN(c4ncccc4Cl)C3)cc2c1C 1857551952 BCWNKOOJQAPTCS-UHFFFAOYSA-N 367.840 2.914 0 1 FFAF Cc1cncc(-c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)n2)c1 1857751873 FLHMSRJSPDACJQ-UHFFFAOYSA-N 359.433 2.559 0 1 FFAF COc1cc(OC)cc(-c2nn3c(=O)cc(C(F)(F)F)nc3s2)c1 1857774696 HZODGRGRVACYLD-UHFFFAOYSA-N 357.313 2.854 0 1 FFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NC2CCCC2)C[C@H]1O 2356289672 XSMNXERXJGYSQR-XSDIEEQYSA-N 367.493 2.576 0 1 FFAF COc1cc2nc3c(O)n(CCN4CCCCC4)cnc-3c2cc1OC 8579781 SZEXTKBMNPOOBH-UHFFFAOYSA-N 356.426 2.745 0 1 FFAF CC[C@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN(C)C1=O 27983709 JTVBYLQKZNXSHK-LJQANCHMSA-N 355.482 2.812 0 1 FFAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@H]2c3cc4c(cc3C[C@@H]21)OCO4 2356477896 LUTHHZHBSYGWMF-KJYZGMDISA-N 351.358 2.868 0 1 FFAF Cc1cnc(N(C)CCN(C)C)nc1NCCCN(C)c1ccccc1 82202587 PVZZGWZKEOBREL-UHFFFAOYSA-N 356.518 2.721 0 1 FFAF CS(=O)(=O)Nc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 84636066 FYTPLMUJRNLUPI-UHFFFAOYSA-N 370.438 2.859 0 1 FFAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 40421544 OEIFMPRLVYLLFL-SFHVURJKSA-N 367.357 2.801 0 1 FFAF O[C@@H]1CN(C2CCN(Cc3ccco3)CC2)CC[C@H]1N1CCCCCC1 96441160 LPZSBWZIMUQESN-NHCUHLMSSA-N 361.530 2.555 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 587107661 SRJWVNCWJOFOIN-JSKPFOEOSA-N 370.408 2.834 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O 587438689 HJHDJELMGSYIMT-RBZFPXEDSA-N 351.358 2.689 0 1 FFAF Oc1cccc([C@@H](O)c2nc3ccc(I)cc3[nH]2)c1 586891299 OHQGPNJEDAFYEI-CYBMUJFWSA-N 366.158 2.955 0 1 FFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1Cc1ccc(Cl)cc1 587368532 LBYDULDSBDGYNA-UHFFFAOYSA-N 368.784 2.705 0 1 FFAF COC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793252 NBFYYYKWIBXVML-PSLIRLAXSA-N 360.223 2.527 0 1 FFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587969792 AADWQNSUJJWJRW-MUJYYYPQSA-N 352.346 2.641 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccccc1OCC(=O)O)O2 587402181 VOFZKJAQEKCOMV-FQEVSTJZSA-N 371.389 2.844 0 1 FFAF Cc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br 587259751 LFGVZNUTSDPKFQ-ZDUSSCGKSA-N 373.254 2.975 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCSC[C@H]1C(=O)OC)CC2=O 587494414 JXDLZZPUPHUMAU-SCLBCKFNSA-N 350.436 2.975 0 1 FFAF CC(=O)N[C@@H](Cc1nc2cc(=N)[nH]cc2[nH]1)c1ccc(Br)cc1 586986035 UVPLMLYTADANJG-LBPRGKRZSA-N 374.242 2.553 0 1 FFAF COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 586913531 MXSGJBDRRBSBBR-UHFFFAOYSA-N 353.378 2.547 0 1 FFAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431510 GMVXSFBRQFYFJO-BGFJZZDESA-N 367.401 2.697 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1ccc(Br)cn1)N[C@H](C(=O)O)C2 963511860 VMZWYTPZXASPJX-WFASDCNBSA-N 363.211 2.546 0 1 FFAF Cc1cc2c(cc1O)[C@@H](c1cn3cccc(Cl)c3n1)N[C@H](C(=O)O)C2 963553128 RMSJIHHSNDCHGO-BBRMVZONSA-N 357.797 2.690 0 1 FFAF O=C1Oc2ccccc2[C@@H](O)[C@@H]1Sc1c(O)oc2ccccc2c1=O 13604221 FARGPRAWHNFEMH-HIFRSBDPSA-N 356.355 2.612 0 1 FFAF CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1 13742424 HBRMXZZVKFXPPL-UHFFFAOYSA-N 363.527 2.572 0 1 FFAF COC(=O)[C@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@H]2CC[C@H]1N2C 169318591 LDJPMOIHMAEPSX-FKGLVLAHSA-N 353.260 2.771 0 1 FFAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 169687168 HHFOUSLXYUKTRS-MOPGFXCFSA-N 374.396 2.869 0 1 FFAF Cc1ccc(CNC(=O)c2[nH]c(-c3ccc(F)cc3)nc(=O)c2O)cc1C 205687962 KNVLMNKVHMDRKF-UHFFFAOYSA-N 367.380 2.828 0 1 FFAF COc1cc(S(=O)(=O)/C=C/c2ccc(O)cc2)cc(OC)c1OC 1857653358 OHIZUVLVFLQMFM-CMDGGOBGSA-N 350.392 2.863 0 1 FFAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@H](O)Cc1ccccc1 2356417545 DXWJXQSQVUJRNS-IWFBPKFRSA-N 372.461 2.914 0 1 FFAF CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1C 8659509 VSKXDVVFEUDKDM-UHFFFAOYSA-N 353.378 2.631 0 3 FFAF CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(NC(=O)c1cc(Cl)ccc1O)C2=O 101472957 NRQAGOUXTIHAPO-PIGZYNQJSA-N 350.802 2.502 0 1 FFAF CSc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 26738202 BIOGNSQXZMCYBL-UHFFFAOYSA-N 364.430 2.646 0 1 FFAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@H](C)N1 103282373 PPEAHANXFUBRRT-STQMWFEESA-N 355.438 2.611 0 1 FFAF CC1=N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC1CCCCCC1 103996957 XICGDBNECXRPRW-ARQFDQGBSA-N 357.406 2.743 0 1 FFAF CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 2356546558 NFUNVPXUVUEVKF-KKSFZXQISA-N 352.434 2.964 0 1 FFAF CC(=O)[C@@H]1C[C@@H](O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356688364 XNAJGYZYRDOIBO-UCPPYHMHSA-N 350.499 2.537 0 1 FFAF COc1cc2c(cc1OC)[C]1C=c3cc(OC)c(OC)cc3=C(C)N1C=C2 2356875170 FJRKBKOJRTWZMP-UHFFFAOYSA-N 364.421 2.510 0 1 FFAF CN1CC2(CNC(=O)c3c2[nH]c2c3Cc3cnc(-c4ccccc4F)cc3-2)C1 72111508 CGWPHUQUDGTDTM-UHFFFAOYSA-N 374.419 2.714 0 1 FFAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@H]1c1cc(F)cc(F)c1F 199085262 WDHNQFQQTBUVHA-HICWGWBUSA-N 354.401 2.717 0 1 FFAF COc1cc(C(=O)c2csc(-c3ncccn3)n2)cc(OC)c1OC 40862842 OBRBOXCVOZNKBV-UHFFFAOYSA-N 357.391 2.857 0 1 FFAF Cc1csc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)c1 199000251 POJQBEFVRWYHSK-KRWDZBQOSA-N 365.458 2.945 0 1 FFAF COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(Cl)n1 149916894 WCVQGPBNASZYPQ-CQSZACIVSA-N 365.792 2.796 0 1 FFAF c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(N2CCC2)n1 96176009 YSBJMOKIEHKIPA-UHFFFAOYSA-N 350.422 2.596 0 1 FFAF CC[C@@H](NC(=O)c1cc(C(=O)NC2CC2)n2c1COCC2)c1ccccc1 146111382 QPDAZRBCYPZZLO-QGZVFWFLSA-N 367.449 2.792 0 1 FFAF COc1ccc(C2=NN(c3ccc(S(C)(=O)=O)cc3)C(=O)CC2)cc1 96911502 IDAOKWPYSOIAJK-UHFFFAOYSA-N 358.419 2.630 0 1 FFAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587589895 YNBIFBUUKNBEIA-CRAIPNDOSA-N 350.330 2.894 0 1 FFAF CCS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587447897 GDPDAQYOLVMTLK-BEFAXECRSA-N 358.415 2.978 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 587408795 ITPQIJOSTLRMRG-IBGZPJMESA-N 374.462 2.708 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cnc(Cl)[nH]c-2n1)C[C@@H]1CCCO1 587197356 NSCUSQPPQUWMRN-JTQLQIEISA-N 367.837 2.874 0 1 FFAF N[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1COC1 587256034 XHFPXBLECQATPW-SECBINFHSA-N 366.137 2.870 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(N4CCN(C)CC4)c1)[C@@H](C2)C3=O 587444886 RYFZBHOSZSFFGZ-PGRDOPGGSA-N 364.445 2.936 0 1 FFAF COc1c(F)ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1N 587133628 WUONIEOUJKUWPD-UHFFFAOYSA-N 367.384 2.715 0 1 FFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 587125862 HAKKRNMOLNXCGT-NJGYIYPDSA-N 372.742 2.541 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596409 OLWYSMWCQQGKPQ-CFNLKKDLSA-N 354.358 2.922 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(O)ncnc2[nH]1 587001987 VHFLGHDRQURJPX-JTQLQIEISA-N 373.214 2.545 0 1 FFAF COC(=O)[C@@H]1CC[C@]2(CC1(C)C)NCCc1ccc(C(=O)N(C)C)cc12 962921705 DEPGXOKSTPGCIM-HRAATJIYSA-N 358.482 2.729 0 1 FFAF CC(C)(CN1CCCC1)[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232582 OPTKDQSIADUZIO-MOPGFXCFSA-N 353.466 2.997 0 1 FFAF COC[C@](C)(NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1 1772641364 VXRJRTIZGSRXKF-SFHVURJKSA-N 355.398 2.650 0 1 FFAF Cc1ccccc1-n1c(COC(=O)CCC(=O)O)nc2ccccc2c1=O 169316416 BGIZBIVPFHLDLR-UHFFFAOYSA-N 366.373 2.602 0 1 FFAF COc1cc(/C=C/C(=O)OCc2cn(-c3ccccc3)nn2)ccc1O 1857573780 WRRDZHYVGYWPKB-CSKARUKUSA-N 351.362 2.738 0 1 FFAF O=C(NCCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCC1 2933243 UJWZUCHEUICWCY-UHFFFAOYSA-N 356.470 2.604 0 1 FFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NC1CC1 4668375 HICQPBBZASHXCK-QHCPKHFHSA-N 352.843 2.831 0 3 FFAF COc1ccc(NC(=O)Nc2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1 102088561 JTCBRCLKKSHXAL-UHFFFAOYSA-N 374.784 2.721 0 1 FFAF CN(C(=O)Cc1ccccc1CN)[C@H](CN1CCCC1)c1ccccc1 28476831 MEKGZWQTRCXAFN-OAQYLSRUSA-N 351.494 2.983 0 1 FFAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 53250453 VFUBXJZFMGISAM-UHFFFAOYSA-N 374.466 2.578 0 1 FFAF Nc1ncc2c(n1)C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 114843853 LDYUPYYVZJQEQS-NHYWBVRUSA-N 364.858 2.553 0 1 FFAF O=C(OC[C@@H](O)CO)c1ccc(NCCCc2ccc(Cl)cc2)cc1 29204906 MKCRXGVLZUMBKW-SFHVURJKSA-N 363.841 2.895 0 1 FFAF CCS(=O)(=O)C[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890410 SJYZUVOETCPIFV-ZDUSSCGKSA-N 351.255 2.522 0 1 FFAF Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3c(c2)OCCO3)cn1 116771214 WVOVUXHMTCNEME-UHFFFAOYSA-N 354.366 2.560 0 1 FFAF CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)NC 61923236 CFKPSJINGJVDKY-SMDDNHRTSA-N 353.260 2.964 0 3 FFAF CCNC(=O)[C@@]1(C)CCN1CCC(=O)c1ccc(Br)cc1 61904463 PZEIFCBCTBHQBU-MRXNPFEDSA-N 353.260 2.622 0 3 FFAF COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1 38214980 YCUKNIRQPJXXQQ-UHFFFAOYSA-N 369.400 2.694 0 1 FFAF C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15219768 SUVZUTHVKIBYOH-XIKOKIGWSA-N 358.401 2.852 0 1 FFAF biogenic CNCc1ccc(CN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 45190864 RWFAOWSVNXKYGX-UHFFFAOYSA-N 367.453 2.585 0 1 FFAF Cc1n[nH]c(C)c1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3 223691328 NJZDWDXIZCWDJA-UHFFFAOYSA-N 368.510 2.987 0 1 FFAF O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1conc1-c1ccc(F)cc1 45230667 SMSAFNONAIEXSF-INIZCTEOSA-N 354.337 2.906 0 1 FFAF O=C1NCCc2[nH]c(-c3cccc4ccc(OC5CCNCC5)nc34)cc21 222373125 UOOCRVJWAMBPLA-UHFFFAOYSA-N 362.433 2.647 0 1 FFAF C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@]45CCC(=O)OC[C@]34C[C@H](C1=O)[C@H]25 238771365 XHPLEEWSTPHWRS-UZLWPMLYSA-N 355.478 2.966 0 1 FFAF COc1ccc(CN2CN3Cc4ccc(C)cc4[C@H]3CS2(=O)=O)cc1 96020134 KWQRZCITBFBKSS-LJQANCHMSA-N 358.463 2.663 0 3 FFAF COc1ccc(C(=O)[C@H](COC(C)=O)Oc2ccccc2OC)cc1OC 95639283 ODPYOMZIVHDXSD-IBGZPJMESA-N 374.389 2.906 0 1 FFAF in-vitro C/C=C1/CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 238733655 FCUKPABXXVEFHR-SDDBPWHASA-N 370.449 2.520 0 1 FFAF CN1C[C@@H]2C[C@H]1CN2CCCCNC(=O)c1ccc(-c2cccnc2)cc1 299867168 XOCRGXOIVXCGAP-SFTDATJTSA-N 364.493 2.647 0 1 FFAF Cc1cncc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202191 GKFBWIOVULEHMJ-CYBMUJFWSA-N 354.366 2.709 0 1 FFAF COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586683 LIXGSBNAJIROOP-QAPCUYQASA-N 350.330 2.894 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1)(C(O)O)O2 587382681 QYGWYPBALAMXRK-KRWDZBQOSA-N 367.323 2.767 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(C(=O)O)N1 587825839 FTPKEAYWIUWNEE-GLEZIHRCSA-N 374.206 2.657 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc3c(c1)OCCO3)CC2=O 587494078 WXHTUMVHGBYVOH-NRFANRHFSA-N 370.401 2.969 0 1 FFAF O=C(O)C[C@@H]1CC[C@@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962675972 XHGRAHKOBGVBOY-JDORSLCVSA-N 368.433 2.804 0 1 FFAF Cc1nc(O)ccc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970262 RHTWIUCHDJMECF-SJCJKPOMSA-N 368.767 2.890 0 1 FFAF O=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 11859141 OXRRYKXYECAQSB-TYNCELHUSA-N 370.352 2.852 0 1 FFAF Cc1cccnc1CNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11938418 LBFMYFLKBMPGPR-QGZVFWFLSA-N 369.440 2.627 0 3 FFAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1 13538277 MKNYKEVPTYCNNR-CQSZACIVSA-N 369.473 2.784 0 1 FFAF CCC[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759697 COMOYSAYNXMJSY-LBPRGKRZSA-N 359.480 2.850 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 14649874 TYPMTMPLTVSOBU-VQTPNMTRSA-N 352.434 2.963 0 1 FFAF Oc1ccc(CCCNC[C@@H](O)c2ccc(O)c3nc(O)ccc23)cc1 1857602096 UGZAIPRXVAACBG-GOSISDBHSA-N 354.406 2.607 0 1 FFAF CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@H]1c1cccn1-c1ccccc1 1650874 HCSNACQSVZNOHW-MSOLQXFVSA-N 354.406 2.543 0 1 FFAF CC=C(C)C(=O)O[C@@H]1[C@H](C(C)(C)O)CC[C@H](C)CCC[C@@](C)(O)[C@@H]1O 2356416362 QWQGNRPTPFJNKA-DIYQJYNUSA-N 356.503 2.964 0 1 FFAF CCn1c(S[C@@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc12 4138628 DWQYAOKPXPPNKM-HNNXBMFYSA-N 371.466 2.584 0 1 FFAF Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 101369497 BUAVLZBGBXSSBR-WOJBJXKFSA-N 365.477 2.678 0 1 FFAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccccc1F 28520875 XJQOPELNAXTARU-UHFFFAOYSA-N 362.382 2.667 0 1 FFAF Cc1ccsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 117376839 NWCBQNVGTYZIMG-UHFFFAOYSA-N 369.490 2.776 0 1 FFAF COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1 26400546 DEVNKUKDMGWNIK-UHFFFAOYSA-N 371.389 2.978 0 1 FFAF CC1=C2CC[C@H](C)[C@H]3CC[C@](C)(O)[C@@H](CC[C@@](C)(O)C[C@@H]2OC1=O)O3 2356835137 KOVBJQMWCQXYHR-UJUAOCSNSA-N 352.471 2.878 0 1 FFAF C[C@@H]1Sc2cc(S(=O)(=O)NCCc3ccccc3)ccc2NC1=O 34145520 YYSASLFYHAINHC-LBPRGKRZSA-N 362.476 2.640 0 1 FFAF C[C@@H](F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 218591525 UECKJWCZXJBAJH-NXEZZACHSA-N 374.351 2.715 0 1 FFAF COc1ccc2c(c1OC)[C@@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 13410122 RUNAFDLOXRYAAQ-QZTJIDSGSA-N 355.390 2.676 0 1 FFAF biogenic CNC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12 73224652 JNNQSTULXLHQBB-UHFFFAOYSA-N 368.462 2.742 0 1 FFAF in-vitro CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 49014028 OQBHXYORJFPRAU-UHFFFAOYSA-N 374.506 2.779 0 1 FFAF CC(=O)OC[C@@H](O)[C@]1(C)C=C2CC[C@@H]3[C@@H](CC(=O)C[C@@]3(C)CO)[C@H]2CC1 85510673 NHDNEERFVCQDDL-QHOCJJNXSA-N 364.482 2.641 0 1 FFAF biogenic,in-vitro CCOP(=O)(OCC)[C@H](O)c1cc2cccc(OC)c2n2nnnc12 49051250 MUMDFNWUTZKCSN-HNNXBMFYSA-N 366.314 2.543 0 1 FFAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2O)CC1)c1ccccc1 95572563 COTVVPLCYRJFJG-IBGZPJMESA-N 355.438 2.741 0 1 FFAF O=[n+]1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)n(O)c2ccc(Br)cc21 95578869 STDNGQPFFFERPN-IQJOONFLSA-N 352.212 2.551 0 1 FFAF COC(=O)[C@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527166 RIBNHDCGDOIRAU-CTNGQTDRSA-N 355.434 2.537 0 1 FFAF COc1ccc(OCC(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401131 QHLMLDRXTWJERT-KRWDZBQOSA-N 357.362 2.756 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C1CC1)CC2=O 587476670 ACXDHINQKCYJJZ-FQEVSTJZSA-N 360.406 2.981 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)cc(OC)c3[nH]1)C2 587247518 SZCJMGYEZIFVEC-HXUWFJFHSA-N 353.422 2.932 0 1 FFAF CCn1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962702344 LJJKWWCCLOGPRE-UONOGXRCSA-N 357.307 2.749 0 1 FFAF C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962929275 IHVYYNNESPCGQB-QSZISKGPSA-N 358.482 2.886 0 1 FFAF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 14710249 UHOKSUGCIDKRQZ-KUZCPNRJSA-N 356.466 2.895 0 1 FFAF C[C@H](c1nc(-c2ccccc2C(F)F)no1)[C@H](N)C(=O)N1CCCC1 14948401 ZUTXGDPQGGSLPL-GWCFXTLKSA-N 350.369 2.727 0 1 FFAF CC(C)(C)C(=O)NC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2)c1O 169691165 MIHKCTSWHSBRNT-RBZFPXEDSA-N 354.406 2.887 0 1 FFAF C[C@@H]1C[C@@H](O)/C=C\C=C\CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 202973019 AAIKDNQBGRZMEM-VPXRGEBUSA-N 366.797 2.675 0 1 FFAF Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 1857594461 WOQAPVRRXQVQMO-UHFFFAOYSA-N 363.446 2.732 0 1 FFAF CN1CCN(c2ccnc(CN(C)[C@H]3CCCc4cccnc43)c2)CC1 1857646170 BAXHMTUVQQKBED-FQEVSTJZSA-N 351.498 2.738 0 1 FFAF CC(C)CCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O 3056062 XFRZFJIZHLZNPI-UHFFFAOYSA-N 355.841 2.879 0 1 FFAF COCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O 8829363 BICXYCKWUQTKKQ-UHFFFAOYSA-N 370.814 2.695 0 3 FFAF COc1cc(CC[C@H](C[C@H](O)CCC[C@@H](C)O)OC(C)=O)ccc1O 2356363166 IHVRRERKANCGKN-KBRIMQKVSA-N 354.443 2.567 0 1 FFAF COc1cc2c(c(OC)c1O)-c1cccc(=O)cc1[C@@H](NC(C)=O)CC2 27762936 MJFNYVYTBQQVKP-INIZCTEOSA-N 355.390 2.560 0 1 FFAF COc1c(C)cnc(C[S@@](=O)c2nnc(-c3ccccc3O)o2)c1C 26639867 IUFREXRPGMPFOM-VWLOTQADSA-N 359.407 2.770 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](O)[C@H](O)[C@@]2(C)O 2356565440 CEDNNIXKNUOVGD-XVJCOFAPSA-N 354.487 2.733 0 1 FFAF c1ccc(-c2cn([C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]43)nn2)cc1 2356816705 DEBLZMCUHNOXES-BQJUDKOJSA-N 368.481 2.822 0 1 FFAF O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2ccc(F)cc2)CCCN1 49089494 GVQUNEGAEVHICF-NRFANRHFSA-N 359.489 2.577 0 1 FFAF CC(C)Oc1cc2c(-c3cc(N4CCOCC4)ncn3)n[nH]c2cc1F 221210016 HJDNESQNWZZMBD-UHFFFAOYSA-N 357.389 2.783 0 1 FFAF COc1ccc(-c2nc(N3CCNCC3)nc3ccccc23)c(OC)c1 40875252 CXOPQFMERMSLHZ-UHFFFAOYSA-N 350.422 2.724 0 1 FFAF Nc1cccc([C@H](O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)c1 1911571333 JBXSUIUQLMJZMJ-LJQANCHMSA-N 354.431 2.665 0 1 FFAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12 1911581416 WDEFFRJHKJGSLD-NWDGAFQWSA-N 373.428 2.656 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CO)C(C)C)cs2)c1 82082091 XJJLDKJEHKHVGL-AWEZNQCLSA-N 350.440 2.574 0 1 FFAF COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1 43077059 LYHPSWFRVIYURV-UHFFFAOYSA-N 365.481 2.985 0 1 FFAF C[C@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@@H](C)O1 84652879 BPOGPSWQWXFRCB-GASCZTMLSA-N 365.547 2.606 0 1 FFAF CCc1c(Sc2ccccc2)n(OCc2ccccc2)c(=O)[nH]c1=O 98084079 IFRIRQAEVWLZHY-UHFFFAOYSA-N 354.431 2.879 0 1 FFAF COc1cc(OC)c([C@@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)cc1OC 250276531 CLMGKNKTVLJDLP-LIRRHRJNSA-N 369.421 2.617 0 3 FFAF C[C@@H]1CC[C@@H]2C(=O)O[C@H](CO)CN2[C@H]1c1ccc(Br)cc1 299813006 MVTNSOOORIFBMO-AQNFWKISSA-N 354.244 2.508 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 586915109 AWIGUMAWAFYRMC-QRWLVFNGSA-N 374.404 2.755 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC(C(=O)O)=C2)N1 587832350 JOPUWAPUYXZSBE-VXJOIVPMSA-N 354.175 2.830 0 1 FFAF COC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1OC 587158328 WJRBAKJONHXMDI-BUXKBTBVSA-N 355.369 2.839 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)cc2[nH]1 586960536 ZLTLUCKTXAUSPA-OAHLLOKOSA-N 351.815 2.685 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1cn(C)nc1-c1ccccc1)N[C@H](C(=O)O)C2 963492520 RNHPRAXDZOQPAK-JXFKEZNVSA-N 363.417 2.789 0 1 FFAF COc1cc(CN2CC[C@@]3(CCCN(C)C3=O)C2)cc(Cl)c1OC 12204137 HLQYKWWOQUTYBR-SFHVURJKSA-N 352.862 2.802 0 1 FFAF CCCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)cc1 13447201 MVQSTEWBOWTUPA-CQSZACIVSA-N 354.834 2.610 0 1 FFAF O=c1cc(-c2ccccc2)ccn1C[C@H](O)CN1CCc2ccccc2C1 209700420 VNPIYIUOLQVDOR-JOCHJYFZSA-N 360.457 2.935 0 1 FFAF O=C1NCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857758353 XZZASUAWQQKFQK-AWEZNQCLSA-N 359.376 2.849 0 1 FFAF COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C)n3)n2)cc1 6751896 OHIMLYXUNASHLA-UHFFFAOYSA-N 353.382 2.524 0 1 FFAF O=C(NCCc1ccccc1)c1cccc2c1C(=O)N(C[C@H]1CCCO1)C2 6769991 PIAPFJNTCBJSRH-GOSISDBHSA-N 364.445 2.794 0 1 FFAF COc1ccc(Br)cc1CNc1nc2nc(C)cc(O)n2n1 100695394 BWTKVBVEIQJULO-UHFFFAOYSA-N 364.203 2.522 0 1 FFAF O=C(NCc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 101973585 GLBFPPQFFRYVGB-UHFFFAOYSA-N 371.396 2.704 0 1 FFAF O=C(O)c1nc(Cc2c(-c3ccccc3)[nH]c3ccccc23)[nH]c(=O)c1O 66167058 JONQCFJPPWOWOJ-UHFFFAOYSA-N 361.357 2.913 0 1 FFAF in-vitro COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c(n(C)c5ccccc45)[C@H]3C[C@H]21 504581644 WJFAYJMSIIWXBX-ZOXOGZHVSA-N 368.477 2.658 0 1 FFAF biogenic C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 34505605 QBIGZGHTQRWYFX-VPOIRTJDSA-N 362.422 2.570 0 1 FFAF biogenic COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(OC)c1OC 14437438 GNGPPTXVHWEWBQ-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic O=c1[nH]c([C@@H]2C[C@H](F)CN2)nc2c1oc1ccc(Br)cc12 84739489 SCHVVSMHPGRYLE-CBAPKCEASA-N 352.163 2.804 0 1 FFAF CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 84495529 WEBCNVIMCWFUBF-HZPDHXFCSA-N 372.465 2.863 0 1 FFAF CCc1nc(C(=O)N[C@@H](C(=O)OCCc2ccccn2)C(C)C)cs1 82070372 JDJLZPYNUKYACD-MRXNPFEDSA-N 361.467 2.641 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C=C/[C@@H](O)CCCC(=O)O 230058466 AOPOCGPBAIARAV-XDOPSAHOSA-N 350.455 2.905 0 1 FFAF in-man c1ccc(-n2cc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)cc1 96937458 RUELNBPHROFCEJ-UHFFFAOYSA-N 359.437 2.746 0 1 FFAF C[C@](O)(CO)c1cc2c3c(ccc2o1)[C@H]1COc2cc(O)ccc2[C@@H]1O3 85730640 JDKOSPKTKADBCU-UAOJZALGSA-N 354.358 2.948 0 1 FFAF biogenic O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]12Cn1nncc1CO2 473083631 CDEDAIAGTNYSKU-LJQANCHMSA-N 366.808 2.904 0 1 FFAF COC(=O)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 587007445 YETLHIMGJFTNBS-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF COc1cncc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197017 GOQOJFQFCVKPMF-GFCCVEGCSA-N 362.430 2.883 0 1 FFAF COc1ccc(C[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 587927809 XUEZFEDJELRZGO-LBPRGKRZSA-N 364.409 2.902 0 1 FFAF CCOC(=O)c1nnn(-c2c(C)[nH]c3cccc(F)c23)c1C(=O)OCC 587635471 IHSBJCQKXLSJDG-UHFFFAOYSA-N 360.345 2.550 0 1 FFAF O=C(O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588529 KYRBWZGCYINHTH-SUMWQHHRSA-N 352.302 2.516 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=C(C)N=C3N=NNN3C1)N(C)[C@@H](C)C2 962616581 AGSGXQLRUKDURV-WLRWDXFRSA-N 370.457 2.626 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccncc1)(c1ccccn1)NCC2 962927650 WWEFXMDNMUYHSG-QFIPXVFZSA-N 358.445 2.616 0 1 FFAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227134 FKWQADGUEGLUIT-VHFSOBRXSA-N 356.422 2.638 0 1 FFAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 147189311 NMMBOAVVJDOKHT-INMULRNOSA-N 352.814 2.991 0 1 FFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccccc1 1772656027 NNNYFDCXWYRGEZ-MRXNPFEDSA-N 366.425 2.677 0 1 FFAF O=C(Cc1ccccn1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 12387808 JHLZFZFMVNLURA-FQEVSTJZSA-N 364.493 2.780 0 1 FFAF NS(=O)(=O)c1ccc2c(c1)/C(=C(\c1ccccc1)c1ccc[nH]1)C(=O)N2 14962864 FESNXQRYCOTXKR-ZCXUNETKSA-N 365.414 2.573 0 1 FFAF COc1ccc(NC(=S)N2CCC(NC(=O)c3ccco3)CC2)cc1 15935863 OWJIWMBWUCHSIZ-UHFFFAOYSA-N 359.451 2.879 0 3 FFAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 169351117 YAIXJKZQJNOCPD-XLSPSMHOSA-N 374.868 2.538 0 1 FFAF Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 601673 QXWNESOGWFJDFR-WMLDXEAASA-N 360.408 2.734 0 1 FFAF O=S1(=O)NN=C(NCc2ccc(Cl)c(Cl)c2)c2ccccc21 1629787 BMKVFSSOTVSQBE-UHFFFAOYSA-N 356.234 2.737 0 1 FFAF O=C(Nc1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356385038 GVIUWLOHFVRGNX-UKRRQHHQSA-N 355.373 2.729 0 1 FFAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)cc1 3955987 BSEPYDCLNYQUCJ-HXUWFJFHSA-N 359.470 2.741 0 1 FFAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 4077493 SGNQFTJJYZZNPY-NVXWUHKLSA-N 360.797 2.884 0 1 FFAF CC[C@]12c3c4c5ccccc5n3[C@](O)(C(=O)OC)C[C@H]1CCCN2CC4 2356382082 MCUPLASQAWQHIW-XMDBHEJHSA-N 354.450 2.737 0 1 FFAF O=C(NCCCN1CCCC1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 20684854 YXXPFXDCCAQHMG-MRXNPFEDSA-N 356.470 2.646 0 1 FFAF COc1cc(C(=N)N)ccc1-c1cc(-c2ccc(C(=N)N)cc2OC)on1 28642785 PALSSTDKGLTYTI-UHFFFAOYSA-N 365.393 2.594 0 1 FFAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 26643436 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2.722 0 1 FFAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)o1 1857770407 QTWIOCLYEVHSLI-OXJNMPFZSA-N 363.417 2.638 0 1 FFAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NC[C@H](O)c1ccccc1 771739 FTZPDSDPPAJADB-UWJYYQICSA-N 368.433 2.676 0 1 FFAF CC(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 29050079 SREDJGDTFRKPKG-UHFFFAOYSA-N 354.907 2.831 0 1 FFAF COc1cc(CNc2ccc(C3=NNC(=O)CC3)cc2)cc(OC)c1OC 103290341 WTJCWGFFKGNJSJ-UHFFFAOYSA-N 369.421 2.939 0 1 FFAF C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26004726 ABSJHJJNVMBAHU-QZTJIDSGSA-N 361.804 2.866 0 1 FFAF CCn1ccc2cnc(NC(=O)c3ccc([C@@](C)(O)CO)c(C)c3)cc21 118585538 QJLUVUWHGZTKRP-FQEVSTJZSA-N 353.422 2.817 0 1 FFAF COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(Cl)cc2n1 28817377 GIAPMXUIVAVKSV-HUUCEWRRSA-N 352.818 2.965 0 1 FFAF CS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66103332 IJIWVTTYTBFUES-UHFFFAOYSA-N 373.400 2.819 0 1 FFAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)cc1 71316236 XZOGJLXYXXEFHY-UHFFFAOYSA-N 366.402 2.938 0 1 FFAF CCOC(=O)C(=CNc1ccc(Cl)c(C(=O)OCC)c1)C(=O)OCC 45364481 KLGZJJKKNZDTNU-UHFFFAOYSA-N 369.801 2.939 0 1 FFAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1COc2ncsc21 220866372 QNWQHNGAPGJLTL-GXSJLCMTSA-N 359.234 2.776 0 1 FFAF O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cccnc1 1911574712 SPBBTQBMHDKPDW-UHFFFAOYSA-N 361.327 2.670 0 1 FFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40379437 MCUWKSUFJANNRJ-AVHYGJPMSA-N 356.777 2.740 0 1 FFAF CCCCC[C@@H](O)CCCN(CCCCCC(=O)O)S(C)(=O)=O 43073122 WPTYIXZEPBHXPQ-OAHLLOKOSA-N 351.509 2.614 0 1 FFAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCCN1CCCC1 25429218 ZPFALMVSMKETRX-QUCCMNQESA-N 371.525 2.777 0 1 FFAF biogenic CC(=O)Cc1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 261135408 LYMOQCSTYMQVME-GSXCWMCISA-N 350.422 2.738 0 1 FFAF Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 261133388 LPLJCQTWKUNXIE-GOSISDBHSA-N 368.824 2.830 0 1 FFAF O=C(O)CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354839 RVYMAWWCJDKIDN-LPHOPBHVSA-N 374.320 2.578 0 1 FFAF COc1cc(Br)c([C@H](N)c2nc3cccnc3[nH]2)cc1OC 586975029 JCOURAMALUSZOR-ZDUSSCGKSA-N 363.215 2.786 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 587962580 GPOOYAJVJQAALZ-GFCCVEGCSA-N 367.471 2.685 0 1 FFAF CCN=c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587739347 ASHVNPRMGDCDQD-PSLIRLAXSA-N 365.250 2.856 0 1 FFAF NC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004347 TXJNMXQAIPUPSC-UHFFFAOYSA-N 356.183 2.968 0 1 FFAF N=c1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c[nH]1 587144590 OKRJMPXASWCFSH-JTQLQIEISA-N 350.195 2.515 0 1 FFAF CN1CCc2cn(C)nc2[C@]12CCc1c(F)ccc(Br)c12 963953674 CAWUOWDQGDLZER-MRXNPFEDSA-N 350.235 2.999 0 1 FFAF C[C@@]1(c2cccnc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962701495 RDMOLYQTHXMNCM-BBRMVZONSA-N 370.302 2.808 0 1 FFAF O=S(=O)(N[C@H]1CCc2ccccc2C1)c1ccc2c(c1)CN[C@@H](CF)C2 13581931 SNXPPNROWQROND-RBUKOAKNSA-N 374.481 2.506 0 1 FFAF CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1CO2)OCO4)OCO3 14513942 JGUHXZNEJZIAFG-HXUWFJFHSA-N 353.374 2.558 0 1 FFAF biogenic,in-vitro CCCC(=O)OCSc1ccccc1C(=O)NCC(=O)NC(C)(C)C 1857557473 MUYWBOOUCOWPEP-UHFFFAOYSA-N 366.483 2.724 0 1 FFAF CCOc1ccc([C@H]2c3c(N)nc(SC)nc3N=C3COC(=O)[C@H]32)cc1 1857613298 FMSAEQPDVWDQSW-CHWSQXEVSA-N 370.434 2.570 0 1 FFAF C=c1sc2c(C(=O)O)c(=O)c3cc(F)c(-c4ccc(N)cc4)cc3n12 3808907 JFYNXCWFWDRIOP-UHFFFAOYSA-N 354.362 2.730 0 1 FFAF COCc1cc(OC(=O)N(C)C)nc(COc2ccc(Cl)cc2)n1 1047373 YERRSCPVEUFULB-UHFFFAOYSA-N 351.790 2.916 0 1 FFAF NCCn1cc(S(=O)(=O)c2ccccc2C(F)(F)F)c2cccnc21 3927098 COKJEENNHXAWIT-UHFFFAOYSA-N 369.368 2.847 0 1 FFAF COc1cc(C[C@H]2COC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 6483747 LDYVVKWGJMWITK-AUSJPIAWSA-N 360.406 2.654 0 1 FFAF COC[C@@H]1CCCN1C(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O 2356294813 ROPIJFSVRSJNGT-JSGCOSHPSA-N 360.410 2.655 0 1 FFAF CC[C@@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)c1cccs1 20783658 WLTGNTMUEQPNAA-OAHLLOKOSA-N 360.483 2.563 0 1 FFAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2nonc2c1 117586676 LAYURGNLJVCMOR-UHFFFAOYSA-N 367.409 2.734 0 1 FFAF COc1cc2c(cc1O)C[C@H]1NCCc3c(OC)c(OC)c(OC)c-2c31 2356495857 HWDDNUKDQLZPKF-CYBMUJFWSA-N 357.406 2.837 0 1 FFAF CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 218564785 UOMUYZXEONWAOD-SNVBAGLBSA-N 372.429 2.715 0 1 FFAF COc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1O 71317707 ANXSVAOJTRHGIE-XVNBXDOJSA-N 352.390 2.960 0 1 FFAF CC(=O)N(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O 587570428 IQRWMBHJXYQSEF-XLIONFOSSA-N 369.373 2.508 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3[C@H]1CN[C@H]3C(=O)O)CC2=O 587488435 ZOFFKOMZMXRLIN-DOYHJNLTSA-N 359.422 2.521 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(C1CCS(=O)(=O)CC1)CC2=O 587489100 AVDOBGWZNGJSCW-GOSISDBHSA-N 352.452 2.893 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(CC(C)C)c(O)n1 587871749 CDCWFTFALLIFCG-UHFFFAOYSA-N 372.400 2.995 0 1 FFAF COc1ccc(CCNc2nc(NC(N)=O)nc3ccccc23)cc1OC 1772601054 FLDAYDCSQFECEJ-UHFFFAOYSA-N 367.409 2.792 0 1 FFAF CCC1=C(CC(=O)OC)[C@@](O)(c2nccc3c2[nH]c2ccccc23)OC1=O 1772587709 RBLMMGLQKIXPQH-FQEVSTJZSA-N 366.373 2.688 0 1 FFAF COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C=O 13375393 DUIBXZLCROUOFD-UHFFFAOYSA-N 374.345 2.762 0 1 FFAF biogenic,in-vitro N=C(N)c1cccc(Oc2ccc(N)c(Oc3cccc(C(=N)N)c3)n2)c1 13797392 QQSLTWQLYHGECT-UHFFFAOYSA-N 362.393 2.817 0 1 FFAF Cc1ccc2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1 13860746 WLKMUEVLHFKBMR-UHFFFAOYSA-N 365.414 2.990 0 1 FFAF Cc1nc(-c2ccccc2F)c2c(N3CCc4ncncc4C3)ncnn12 169711742 YKCJUYLUUDVLJK-UHFFFAOYSA-N 361.384 2.592 0 1 FFAF O=C(C1CCN(c2cnccc2-n2cc(C3CC3)cn2)CC1)N1CC(F)C1 209489807 AUMGLHCTJKFFBR-UHFFFAOYSA-N 369.444 2.541 0 1 FFAF O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1 28817941 VQNLGRLAIHYCGG-UHFFFAOYSA-N 364.401 2.917 0 1 FFAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 100106702 CAWBCHVZXPTSTR-WKCHPHFGSA-N 374.419 2.863 0 1 FFAF CCc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1N(C)CCC(C)C 61929938 ZYHOGEKUQKPLAJ-UHFFFAOYSA-N 371.529 2.767 0 3 FFAF COC(=O)[C@@H]1COCCN1C(=O)C(F)(F)Sc1ccc(C(C)C)cc1 28863792 LHDUVUPVXMFQMM-AWEZNQCLSA-N 373.421 2.895 0 1 FFAF N[C@@H](CCN1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F 38279145 BZWGYVRRYSOVGM-PMACEKPBSA-N 369.484 2.980 0 1 FFAF Cc1ccccc1-c1ccc2c(c1)N(CCN1CCOCC1)C(=O)COC2 74375101 JSQVJTQERFQWBQ-UHFFFAOYSA-N 366.461 2.857 0 3 FFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CC=CCC2)cc1F 216269613 NQLMFCJMQLGDPR-SNVBAGLBSA-N 361.822 2.904 0 1 FFAF O=C(O)C1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40420438 JLXJLERJOBFDSE-FQEVSTJZSA-N 365.433 2.911 0 1 FFAF COC(=O)C1=C[C@]23CC(C)=CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 85846447 YCCFPGXRDHAKID-GDGLLQIHSA-N 360.450 2.781 0 1 FFAF COc1ccccc1-c1nc2nc(N)nc(N)c2nc1-c1ccccc1OC 45227253 SURDRSFNAPBWKR-UHFFFAOYSA-N 374.404 2.935 0 1 FFAF CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(CC(C)C)c2-3)c1 146025770 ARMYNGCDLOKDLO-UHFFFAOYSA-N 359.455 2.760 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@@H]1C=CC[C@@H]32 96933110 OAXALZWGNZKDGA-HZTOIDEUSA-N 358.390 2.534 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cn[nH]c3)C[C@H]2CS1 230498999 KLYAOLDBWRAAEM-JJMVLAAESA-N 350.394 2.723 0 1 FFAF in-vitro COc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccnn2C)nc1N 473112312 CNEOXGXBLPJVNS-UHFFFAOYSA-N 357.801 2.979 0 1 FFAF C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473101583 KACGPOODXPEZQJ-LLVKDONJSA-N 371.347 2.752 0 1 FFAF COC[C@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757872 HXODUPNWKHHENH-QFYYESIMSA-N 368.250 2.746 0 1 FFAF Oc1cc(O)nc(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)n1 586966567 IVYDVGOBCZDGCC-UHFFFAOYSA-N 358.301 2.955 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587090909 BLYOKLGPUMILMB-UHFFFAOYSA-N 373.312 2.813 0 1 FFAF Cc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1F 587202801 LNSOSWMVVXPTJP-INIZCTEOSA-N 371.368 2.933 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNc3[nH]cnc32)N1 587804008 QLOKUNGBINARIH-VXJOIVPMSA-N 364.222 2.543 0 1 FFAF CCN(CCSc1ccccc1)C(=O)c1cn(C2CCC(N)CC2)nn1 77422508 YPTCKURGHNZLCL-UHFFFAOYSA-N 373.526 2.975 0 1 FFAF CCOC(=O)C(=O)[C@H]1COCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963115644 AMHDOPSPFXBLCQ-DYVFJYSZSA-N 372.248 2.503 0 1 FFAF O=C1Nc2ccc(Cl)c(Cl)c2[C@]12NCCc1nc3ccccn3c12 962986783 KMUJRTKEQQOUKR-QGZVFWFLSA-N 359.216 2.983 0 1 FFAF OCCN1CCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC1 1772625608 ZHOQCZHXZMAPEU-UHFFFAOYSA-N 370.884 2.993 0 1 FFAF Cc1c(C(=O)N[C@H](CO)Cc2ccccc2)[nH]c2ccc(Cl)cc2c1=O 1772592788 SMKYYKKGDKGDEM-HNNXBMFYSA-N 370.836 2.823 0 1 FFAF COc1cc(NC(=O)C(=O)NCc2ccccc2)ccc1-c1cnco1 13441244 CZZPDSSXQVRKDG-UHFFFAOYSA-N 351.362 2.605 0 1 FFAF O=N[C@@H]1CCc2cc(-c3cn(C[C@@H](O)CO)nc3-c3ccncc3)ccc21 169686114 CRTJFFQEWFIJPJ-VQIMIIECSA-N 364.405 2.719 0 1 FFAF Fc1cc(Br)c(OC2CCN(c3nccnn3)CC2)cc1F 166273222 JXZCSTOZZDRLND-UHFFFAOYSA-N 371.185 2.960 0 1 FFAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 768785 SGNQFTJJYZZNPY-DOTOQJQBSA-N 360.797 2.884 0 1 FFAF NC(=O)c1cc([C@@H](O)[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 6093929 SFSYYHIAWBPIFK-SWLSCSKDSA-N 353.344 2.528 0 1 FFAF N[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccccc1F 28388665 ZLDNEIMAZFUGLT-RTBURBONSA-N 356.441 2.556 0 1 FFAF CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@H]1c1cccn1-c1ccccc1 31872102 HCSNACQSVZNOHW-QZTJIDSGSA-N 354.406 2.543 0 1 FFAF COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c1 71280887 YVAHCWLEKOONFT-UHFFFAOYSA-N 364.405 2.788 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@]3(O)[C@H]1C5 31904990 YQNZUKAKYJMEFE-DZWOVHDNSA-N 374.440 2.792 0 1 FFAF CN(CCN1CCCCC1)C(=O)N1CCN(c2ccccc2Cl)CC1 40950021 RIIUHTQGDQYAKS-UHFFFAOYSA-N 364.921 3.000 0 1 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@@H](O)[C@@]32C)C(=O)O[C@H](C2=CCC=C2)C1 95912515 UGXXCRBYJNNERL-TWFHAPMSSA-N 356.418 2.908 0 1 FFAF biogenic,in-vitro Cc1noc(C)c1-c1nc([C@H]2CCCN(Cc3c[nH]cn3)C2)ccc1CO 257279091 OEZQLWMDWHCSLU-HNNXBMFYSA-N 367.453 2.948 0 1 FFAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)c1ccccc1 257520736 QFVFKNNOHLGRBN-IVDHNXQLSA-N 368.477 2.707 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccccc1OCC(=O)O)O2 587402185 VOFZKJAQEKCOMV-HXUWFJFHSA-N 371.389 2.844 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3cnc(Cl)[nH]c-3n2)CCC(=O)CC1 587234385 LSAMBMNIKVQEIP-UHFFFAOYSA-N 365.821 2.821 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 587053902 JIDYRPCPTHWCDH-UHFFFAOYSA-N 351.815 2.839 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 587235718 PPSWFOUVIRRYJG-RKDXNWHRSA-N 365.459 2.898 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@](c3cccnc3)(C3CCOCC3)c3cccc1c32 963029018 MTJKJRZFICYZKD-OYHNWAKOSA-N 363.461 2.805 0 1 FFAF O=C(NC1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1 168461505 KSGKPMLLGWMFIW-UHFFFAOYSA-N 366.465 2.697 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 2356442588 JDVAFOKXJXFBCK-DYXWJJEUSA-N 370.424 2.669 0 1 FFAF COc1cc([C@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC(=O)[C@@H]23)ccc1O 6453824 ADTULSGZUFJGNI-GBRSUSRYSA-N 370.357 2.731 0 1 FFAF OCCCc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1 59283052 MXLJGGDSSLTJIR-HNNXBMFYSA-N 364.449 2.701 0 1 FFAF COCc1ccc(C)c2c1C(=O)[C@@H](OC(C)=O)[C@@H](C(C)(C)OC(C)=O)C2 15151098 CIKRUAPTDKFNSL-LPHOPBHVSA-N 362.422 2.770 0 1 FFAF biogenic CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95874735 XYCHWFJUQDPBHN-VSKRKVRLSA-N 365.477 2.520 0 1 FFAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@H]32)C1 299872386 FFSMUXROXURAGP-OCNMBGLYSA-N 364.574 2.932 0 1 FFAF aggregator COC(=O)C(=O)C[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587397824 BSKFZJXFIYZCDN-OAQYLSRUSA-N 367.401 2.879 0 1 FFAF O=S(=O)(O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034006 BHYQAUVAIZJYOE-ZDUSSCGKSA-N 350.421 2.728 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)CC2=O 587482089 ZCRCHVZNJCEORC-FKIZINRSSA-N 373.405 2.658 0 1 FFAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(S)nc(S)nc2[nH]1 587175772 VTAYRKUNWNASJN-VIFPVBQESA-N 360.443 2.793 0 1 FFAF Cc1cc(-c2nnc(CCC(=O)NCCc3cccc(Cl)c3)o2)no1 12315171 PPLCIOLEEVKYRY-UHFFFAOYSA-N 360.801 2.978 0 1 FFAF Cc1nc(-n2ncc(C(=O)N3c4ccccc4C[C@@H]3C)c2C)nc(O)c1C 1857597701 CWIAUQJHHZYIQI-NSHDSACASA-N 363.421 2.885 0 1 FFAF Fc1ccccc1Nc1nc(NCc2ccco2)nc(N2CCOCC2)n1 910000 UWEFCLLTLZGATO-UHFFFAOYSA-N 370.388 2.796 0 3 FFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)CC[C@@]1(C)O 2356310701 DDUYMNONWMLEII-BHDDXSALSA-N 368.477 2.516 0 1 FFAF Cn1ccnc1C(=O)c1cc(SCC(=O)NC2CC2)nc2ccccc12 8642711 BKIAPFNTVFVOIU-UHFFFAOYSA-N 366.446 2.570 0 3 FFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(Br)c1 104000736 CDPOUXDVLDVDLI-OCUQMRJBSA-N 350.176 2.547 0 1 FFAF CNC(=O)c1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117623062 CBNQMPGBOVSDLI-XLIONFOSSA-N 374.444 2.867 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)[C@@H]2C(=O)N3)cc1 2356859178 SRTYLZFQJNRSFK-DOTOQJQBSA-N 353.447 2.569 0 1 FFAF COc1cc2nc(N3CCC(C)CC3)nc(NC[C@H](C)O)c2cc1OC 82128850 WAMLIDWJKXKGJH-ZDUSSCGKSA-N 360.458 2.676 0 1 FFAF CCN1CCN(c2ncc(C)c(NCc3cccc(OC)c3OC)n2)CC1 82202861 TYJUAGJOZGWZFM-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OC)c1 299821967 CSVYFAXKSBZKDP-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF Oc1cc(O)nc(SCc2nc3ccc(F)c(Br)c3[nH]2)n1 586966259 CWBVPEUCCWNEKI-UHFFFAOYSA-N 371.191 2.958 0 1 FFAF COC(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2n1 587951338 SQQVGCDATJGREP-CJKMCJCZSA-N 369.421 2.898 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587178040 MTWFURQTQGPLBP-UHFFFAOYSA-N 354.794 2.668 0 1 FFAF COc1ccc2c(C)c(CCc3nc4c(O)ncnc4[nH]3)c(=O)oc2c1C 586917379 ALEIPYKWVYJVGM-UHFFFAOYSA-N 366.377 2.576 0 1 FFAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587052654 FZRPRJGDRRUIHY-MRVPVSSYSA-N 357.723 2.925 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@H](c3c(Cl)nc(Cl)n3C)c3cccc1c32 963015193 AERUTHNQIMZWTI-ISVAXAHUSA-N 351.237 2.870 0 1 FFAF Cc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n2ncnc2n1 1772652436 PMUIGVOIIHXIPC-SFHVURJKSA-N 361.449 2.941 0 1 FFAF COc1ccc([C@@H]2OC(=O)[C@H]3[C@H](c4ccc(OC)cc4)OC(=O)[C@@H]23)cc1 5808602 PZMJZHHHLJVULL-BDXSIMOUSA-N 354.358 2.832 0 1 FFAF CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)Nc1cc[nH]n1 13583745 PORJGUPVXOCUGW-LBPRGKRZSA-N 352.435 2.639 0 1 FFAF C[C@H](C(=O)Nc1ccncc1)N(c1ccccc1Cl)S(C)(=O)=O 169305086 IMBCVWMORNKPFJ-LLVKDONJSA-N 353.831 2.528 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3NCc3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 2150801 RAKHRCAHNDHPHV-AUNWOLQUSA-N 360.457 2.986 0 1 FFAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@@H]4CCC[C@@H]3CN4)c(F)cc2c1=O 100960148 ACJIIVBPBQTKNA-WCQYABFASA-N 371.412 2.504 0 1 FFAF COc1cc(CCc2nc(N)nn2-c2ccccc2)cc(OC)c1OC 64460050 WALJVWIKQIXOAR-UHFFFAOYSA-N 354.410 2.661 0 1 FFAF CNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C[C@@H]1Cc1ccccc1 61923229 VORREMMGDXIJLT-QFBILLFUSA-N 352.434 2.653 0 3 FFAF CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2c1OCC2 29472310 VRMUQJZSWAAYCB-ZDUSSCGKSA-N 353.260 2.598 0 1 FFAF CN1CC[C@@H](n2cc(S(=O)(=O)c3ccccc3F)c3cccnc32)C1 28862206 KJXRVQNIBNKBRN-CYBMUJFWSA-N 359.426 2.885 0 1 FFAF COc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1)C[C@H](C)OC3=O 2356607071 OQZQJUQLPRKHJG-VIFPVBQESA-N 358.346 2.800 0 1 FFAF CC[C@H](O)C=CC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356707895 AOPOCGPBAIARAV-FHWLQOOXSA-N 350.455 2.905 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@](C)(O)[C@H]2CC[C@@](C)(O2)[C@@H](O)CC1 2356858397 SZTYJILCJAFDKH-OCBLOMHFSA-N 350.455 2.798 0 1 FFAF Cc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3[nH]2)cc1 72108794 TUMLTUVUMLLOOA-UHFFFAOYSA-N 350.422 2.809 0 1 FFAF O=S(=O)(Nc1cncc(-c2cnc3nccn3c2)c1)c1ccccc1 73158311 YUPJXCLJBQPXNQ-UHFFFAOYSA-N 351.391 2.592 0 1 FFAF CNCCCN1Cc2ccccc2N(c2cccc(OC)c2)S1(=O)=O 49111845 ZFGMAUXPSXKTKJ-UHFFFAOYSA-N 361.467 2.503 0 1 FFAF COCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82159689 FICAMQFYEXRDQI-UHFFFAOYSA-N 360.433 2.751 0 1 FFAF COCc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1C 82083165 ODTMMTDXZLDNJD-UHFFFAOYSA-N 358.398 2.884 0 1 FFAF CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224792997 NILPGVAXDRHXLG-UHFFFAOYSA-N 372.425 2.581 0 1 FFAF CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1cc(OC)ccc1OC 199214175 YQZQKXXLHMVZNP-IBGZPJMESA-N 373.457 2.528 0 3 FFAF C=CS(=O)(=O)Nc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1 148265898 NUNLLEDHQYKULH-UHFFFAOYSA-N 358.427 2.542 0 1 FFAF C=CS(=O)(=O)N(C)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485882 RNDVVLGDTVDMDH-UHFFFAOYSA-N 368.842 2.735 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)C[C@]4(C[C@@H]21)c1ccccc1N(C)[C@H]34 473170063 PRBYEVQYZLEFMG-BVASAZQOSA-N 350.462 2.729 0 1 FFAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CN)c1 653703944 LMMFJKQNMMSHMO-WAYWQWQTSA-N 372.421 2.789 0 1 FFAF O=C(O)C[C@H](O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892610 UPEJCDGINXNNFI-RXMQYKEDSA-N 367.121 2.722 0 1 FFAF Nc1cc(C(=O)O)ccc1Cc1nc2c(F)cnc(Br)c2[nH]1 587250194 PZVUAXPIJBUKGX-UHFFFAOYSA-N 365.162 2.731 0 1 FFAF Cc1cc2c(cc1O)[C@H](c1cn3cccc(Cl)c3n1)N[C@H](C(=O)O)C2 963553132 RMSJIHHSNDCHGO-XJKSGUPXSA-N 357.797 2.690 0 1 FFAF O=C1[C@@H](N2CC(c3ccc(O)cc3)C2)CCN1Cc1ccc(F)c(F)c1 1772636640 MNXQMDYGFBZPDD-IBGZPJMESA-N 358.388 2.871 0 1 FFAF CCN(CC)C[C@@H](O)CNc1ncc(C)c2c1c1cc(O)ccc1n2C 5139351 XYHNANURZLXZDK-HNNXBMFYSA-N 356.470 2.855 0 1 FFAF CCOc1ccc(OCC)c(NC[C@@H]2CCc3nc(N)nc(N)c3C2)c1 5845211 HGKWDWXLYOQMCF-GFCCVEGCSA-N 357.458 2.655 0 1 FFAF COc1cccc(-c2cnnc(NCc3ccccc3-n3cncn3)n2)c1 12710644 OUIFGOIZKUFYHO-UHFFFAOYSA-N 359.393 2.740 0 1 FFAF CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1 19367043 IXVCIBUMKQSKPD-SFHVURJKSA-N 358.490 2.572 0 3 FFAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C3CCC3)CC2)cs1 2356411368 NEQDBGPATNENMZ-INIZCTEOSA-N 365.543 2.590 0 1 FFAF O=S1(=O)CC[C@H](SCc2nc3sccn3c2Br)C1 4005184 YPTQAUIKTRZNOW-ZETCQYMHSA-N 367.315 2.579 0 3 FFAF CC(C)=CCN1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1 22940343 LDAMVALBMHXSAW-JOCHJYFZSA-N 356.510 2.827 0 1 FFAF CC[C@@H]1C[C@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40897698 MZMYOBYFXFJPSM-OCCSQVGLSA-N 352.822 2.701 0 1 FFAF CCCn1c(=O)n([C@@H](c2ccccc2)[C@H](O)CNC)c2cc(F)ccc21 43020761 ZOPKRUALFVBFRZ-MOPGFXCFSA-N 357.429 2.522 0 1 FFAF Nc1nc2cc3c(cc2cc1C(=O)NCCc1c[nH]c2ccccc12)OCO3 95599370 WNBZIJXYKUPXDE-UHFFFAOYSA-N 374.400 3.000 0 3 FFAF COc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(Cl)n1 587083704 HCPLXTPOOQKVLP-UHFFFAOYSA-N 366.830 2.537 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586921541 BXMQITRNDPOSEH-UHFFFAOYSA-N 373.478 2.964 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCOCC2)N1 587769977 ZVSGTEVMHUJCMW-ZBEGNZNMSA-N 357.267 2.670 0 1 FFAF COc1nccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587150361 SXCQEBZWDNLWQX-LLVKDONJSA-N 358.348 2.761 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(N(C)C)CC2)N1 587767696 JYKTVQWBZBHXPS-LLVKDONJSA-N 356.283 2.890 0 1 FFAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O 587446667 CZOKNLQFHQJKTP-HRAATJIYSA-N 350.370 2.911 0 1 FFAF CN(CC(=O)n1ncc2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C 587652496 SUJAHNHRRSIGJF-UHFFFAOYSA-N 351.790 2.557 0 1 FFAF Cc1c(F)ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 586931657 IDXUIDIYQAQAAM-UHFFFAOYSA-N 363.414 2.840 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(-c2cnn(C)c2)nc1 963607670 JWQQWDXARAILFQ-BLVKFPJESA-N 365.437 2.518 0 1 FFAF O=C1COc2ccccc2N1Cc1cn(Cc2ccc3ccccc3n2)nn1 1772580477 KOFCARREIJDUSQ-UHFFFAOYSA-N 371.400 2.800 0 1 FFAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(O)cc1 13601667 YUNMDDZUUKCCKX-FQEVSTJZSA-N 371.396 2.938 0 1 FFAF C[C@@H](C(=O)Nc1ccncc1)N(c1ccccc1Cl)S(C)(=O)=O 169305088 IMBCVWMORNKPFJ-NSHDSACASA-N 353.831 2.528 0 1 FFAF COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@H](C(=O)c2ccccc2OC)C(=O)N1 2963834 OABCLKMPOUYXKO-KLHJMIIUSA-N 367.401 2.915 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc21 4969141 LJVMOWDCTMATCW-CZUORRHYSA-N 350.484 2.843 0 1 FFAF CCOC(=O)n1c2cc(O)ccc2c2oc(C(=O)N3CCOCC3)cc21 26384953 NBRVHIXEJCIDCH-UHFFFAOYSA-N 358.350 2.570 0 1 FFAF CCc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 28949197 YWLUGCSTHSMDBG-HNNXBMFYSA-N 368.437 2.589 0 1 FFAF CC(C)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 64513178 MKJQNJOYGXZGII-UHFFFAOYSA-N 364.457 2.538 0 1 FFAF COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C=Cc1ccc(OC)cc1 2356678815 UYBDSERUMXMVGO-IBGZPJMESA-N 369.417 2.618 0 1 FFAF CC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26376941 LPVMGHAIQBNBCR-WMZOPIPTSA-N 368.389 2.868 0 1 FFAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)[C@@H]3C2=O)cc1 6137736 UCYUMKBMYOESES-SJORKVTESA-N 355.438 2.601 0 1 FFAF biogenic O=C(c1cc2ccccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1 73297121 UUGGFTCLISMWFD-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF COc1cccc(C2=N[C@@](C)(CC(=O)NCc3ccccc3F)ON2C)c1 74374473 DDGIVILSNLLCJI-HXUWFJFHSA-N 371.412 2.881 0 3 FFAF NC(=O)c1ccc(OCCOCCO)c(/C=C/c2ccc(Cl)cc2)c1 73197160 ORNUFYYTFLKWPC-DAFODLJHSA-N 361.825 2.997 0 1 FFAF OCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1 49046033 QLUFYDHSNDOTQX-UHFFFAOYSA-N 367.434 2.564 0 1 FFAF C[C@@H]1C[C@@H](O)[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O 238778361 UAPYBFIBSYIWBS-ZEDGTFNGSA-N 360.406 2.757 0 1 FFAF C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ccsc2n1 618020148 ZFKMKJXNIVVKLO-NSHDSACASA-N 353.407 2.778 0 1 FFAF COc1ccc([C@H]2CSc3nnc(-c4n[nH]c5c4CCC5)n3N2)cc1 653822658 NLLNVXXGIMOXRQ-CQSZACIVSA-N 354.439 2.556 0 1 FFAF O=C(O)CCN(CCc1nc2ccc(CCO)cc2[nH]1)Cc1ccccc1 587193969 VHSTZHFUULMMJG-UHFFFAOYSA-N 367.449 2.617 0 1 FFAF O=[S@@](Cc1nc2ccc(I)cc2[nH]1)CC1CC1 586960127 SLCLFBUORTUQPN-QGZVFWFLSA-N 360.220 2.826 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ncncc1Br)[C@@H](C2)C3=O 587413687 OURQBLZXNANWPX-QFYYESIMSA-N 361.195 2.911 0 1 FFAF COC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441544 HJWQEYJFSHXGQV-VFNWGFHPSA-N 368.385 2.910 0 1 FFAF CN1CCN(c2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)CC1 586909150 WCJZJKXZDWIHSK-CQSZACIVSA-N 364.449 2.896 0 1 FFAF CC(C)(C)OC(=O)NC[C@H]1CCCCc2cc3c(O)nc(O)nc3nc21 587555190 ORWDKRXEBLFSSK-LLVKDONJSA-N 360.414 2.771 0 1 FFAF CCOC(=O)[C@H]1CN(C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517901 WWTFQAMHJCVNHM-UTKZUKDTSA-N 357.450 2.784 0 1 FFAF C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C(=O)O)Cc1cccc(F)c12 962896181 KRUVQRFPYUNUBZ-DHUIEDIVSA-N 354.425 2.914 0 1 FFAF O=c1[nH]c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc12 5091909 OAGSGPDAMYXYIW-UHFFFAOYSA-N 370.821 2.877 0 1 FFAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)c(O)c1)C(F)(F)F 13760213 UNUVKEQXOBHOEQ-INIZCTEOSA-N 353.296 2.875 0 1 FFAF CCS(=O)(=O)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 169361291 GTDDIUJHWPRGSU-QKLQHJQFSA-N 372.442 2.983 0 1 FFAF C[C@H](O)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([C@@H](C)O)C3)cc2)C1 29550066 KNEWNBNAHYOQNG-GMQQQROESA-N 360.542 2.872 0 1 FFAF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1 66058912 CJTBKKDRGRCSSQ-UHFFFAOYSA-N 369.377 2.533 0 1 FFAF COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3[C@H]2CO)ccc1O 2356554337 UVDICCHWGJQZBX-JLTOFOAXSA-N 358.390 2.625 0 1 FFAF CSCC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cccc1 2356762197 HDWDTFDRUWOEOA-RYRKJORJSA-N 371.506 2.590 0 1 FFAF COc1cc(C)c2c(c1C)Oc1c(C)c(C(=O)O)c(O)c(CO)c1OC2=O 14514489 HKJWQQPQBBPECX-UHFFFAOYSA-N 374.345 2.841 0 1 FFAF biogenic O=c1cc(-c2cnc([C@H](O)CCCCCCc3ccccc3)o2)[nH]c(=O)[nH]1 36079973 OBGMHOHWGOKZNW-MRXNPFEDSA-N 369.421 2.945 0 1 FFAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 74377976 NWHHESQZLBQUIP-IRXDYDNUSA-N 360.410 2.558 0 3 FFAF NC(=O)c1ccc2nc(-c3ccc([C@H](O)C4CCOCC4)cc3)[nH]c2c1 137992342 FHORTESGVDDAKG-SFHVURJKSA-N 351.406 2.789 0 1 FFAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)C/C=C/[C@@H](O)[C@@H](O)CC/C=C/2 84604655 RARIQBVDTKXPRY-LBFSRXLXSA-N 362.422 2.724 0 1 FFAF COc1cc2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2cc1OC 40411807 PQRNECOKFJRURX-UHFFFAOYSA-N 363.377 2.936 0 1 FFAF C[C@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035482 MXCHFWLKPVDOPC-IUCAKERBSA-N 373.356 2.765 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@H]([C@@H](O)CO)OC2 195477569 IVJQHPFJFSRCHY-NVAVKKRISA-N 356.418 2.753 0 1 FFAF COc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)cc(Cl)n1 149916684 WCVQGPBNASZYPQ-AWEZNQCLSA-N 365.792 2.796 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CCC)C(C)=O)cc1 95895484 GVXOCTNGJVSBKO-QQDVYYJJSA-N 358.482 2.653 0 1 FFAF N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOC1 587247353 PWXMOSJGYJCACM-NSHDSACASA-N 350.138 2.919 0 1 FFAF CN1CCN(c2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)CC1 587245389 XEYNTAXFUURHQB-KTKRTIGZSA-N 361.449 2.967 0 1 FFAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587935735 ISNOELDPDYFEDB-QFYYESIMSA-N 362.407 2.655 0 1 FFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587176045 ZWIKXEXYQGFECW-CYBMUJFWSA-N 374.397 2.673 0 1 FFAF CCOC(=O)[C@H]1C(=O)c2cc(Cl)cnc2N(Cc2ccccc2)C1=O 957611444 GELKNRSRJPFGMO-AWEZNQCLSA-N 358.781 2.644 0 1 FFAF C[C@@H]1CNC(=O)C[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962648312 WXXLISUSRDDKJY-DHJUGAMNSA-N 361.489 2.785 0 1 FFAF O=C(O)CC[C@]1(c2cccc(F)c2F)NCCc2c(C(=O)O)cccc21 963129449 FAQURWHIGSPVLO-IBGZPJMESA-N 361.344 2.917 0 1 FFAF CC(C)Nc1nc(S[C@@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 804847 MOIKEUPMHVSPFZ-LBPRGKRZSA-N 360.487 2.877 0 3 FFAF CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 2465059 OYMKKATYCVEQKR-UHFFFAOYSA-N 374.418 2.515 0 1 FFAF O=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccc(Cl)cc1 2928136 MSLUQRXDGYSISJ-UHFFFAOYSA-N 367.839 2.757 0 1 FFAF O=C(N[C@H]1CCN2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2C1)c1cccs1 8378245 JLHFKPCNGPSRHM-GXTWGEPZSA-N 373.409 2.617 0 1 FFAF biogenic CN(CCc1cccc(I)c1)CCN1CCCC1 22872593 ZEXAWTKRIHYTFO-UHFFFAOYSA-N 358.267 2.861 0 1 FFAF CN1CCN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)CC1 103591450 ZOMNDBKPZXPMCN-UHFFFAOYSA-N 359.861 2.533 0 1 FFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2ccncc2)cc1 2356522598 MNVVDYWPYPALNP-GFCCVEGCSA-N 353.378 2.729 0 1 FFAF COc1cc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)ccc1O 2356607761 PYINQNNZGBAXJN-CQSZACIVSA-N 354.358 2.929 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2CNC1CCCC1 2356778812 DULRAFVTZYWWOW-XSTALWECSA-N 352.478 2.692 0 1 FFAF c1cc(NC2CCNCC2)nc(-c2cnc3ccc(-c4cc[nH]n4)cn23)c1 29044785 COCOHAYFJSWFBN-UHFFFAOYSA-N 359.437 2.950 0 1 FFAF COCc1ccc(C)c2c1C(=O)[C@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)C2 15151089 CIKRUAPTDKFNSL-VQIMIIECSA-N 362.422 2.770 0 1 FFAF biogenic O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(CC2CC2)C1 15675148 OTDLWYJTQXSGAD-HIFRSBDPSA-N 351.809 2.971 0 1 FFAF biogenic CCCCNC(=O)[C@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397944 DAEIOGYYGFMKJX-QFIPXVFZSA-N 371.525 2.948 0 3 FFAF CC1=NCC(c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)=C1 96175485 XWNHBFGJKXDYEE-UHFFFAOYSA-N 373.420 2.832 0 1 FFAF CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)CCCC(=O)O 95626180 AOPOCGPBAIARAV-OSEJDTMESA-N 350.455 2.905 0 1 FFAF in-man O=C1[C@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1Cc1cccc(F)c1 299841711 CIQNUZVYSLUWDS-OALUTQOASA-N 358.413 2.668 0 1 FFAF Cc1cnc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587203400 PAQAOXPKXNDUEK-AWEZNQCLSA-N 354.366 2.709 0 1 FFAF COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 587132122 KKPPLEFQOASVFQ-VIFPVBQESA-N 354.357 2.936 0 1 FFAF N=c1nc(O)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c[nH]1 587253305 GNLQTSABCWVOQJ-UHFFFAOYSA-N 374.120 2.919 0 1 FFAF COc1cc2c3c(c1)O[C@](c1cc4ccccc4s1)(C(O)O)[C@@H](C2)C3=O 587454712 ZXEKVBREYXPSBY-RNODOKPDSA-N 368.410 2.864 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCCO4)C2 587247610 UVCZSWSSXGBCGS-HXUWFJFHSA-N 351.406 2.686 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1nc[nH]n1)CC2=O 587485290 RTFOPSUCUCIFNM-IBGZPJMESA-N 350.378 2.767 0 1 FFAF Nc1ccnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 587004601 XTNKTDKYZCAKLJ-MRVPVSSYSA-N 373.210 2.938 0 1 FFAF Oc1ncnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586998454 KGOZGHPNWXHHHZ-OWOJBTEDSA-N 361.155 2.720 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 587793703 KJYGRBYLVBHSQP-ZIDLFYJRSA-N 368.206 2.807 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(C(=O)O)=COc2ccccc21 963602624 ADFDTXGPOQMOMW-GTJPDFRWSA-N 367.401 2.843 0 1 FFAF CC1=C(CC[C@]2(O)COC(=O)C2)[C@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C1=O 15110653 FCPONUSIIXWZOQ-QGZVKYPTSA-N 350.455 2.537 0 1 FFAF biogenic COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccco2)cc1OC 169729710 XKEVFYBJHFXTIW-IRXDYDNUSA-N 372.377 2.882 0 1 FFAF CC(C)[C@H](c1nnnn1Cc1ccccc1)N1C(=O)C(=O)c2ccccc21 206050864 VHWBZFRMUVYJDH-QGZVFWFLSA-N 361.405 2.648 0 3 FFAF CCNc1ncc2nc(-c3cccs3)c(=O)n(C[C@H]3CCCO3)c2n1 4238854 UKDRQUIXSUAECI-LLVKDONJSA-N 357.439 2.526 0 1 FFAF CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 100733814 HHSFJHANGGIQHQ-IZQPOCBFSA-N 356.466 2.752 0 1 FFAF COc1cc([C@@H]2CN=C(c3ccc4cncn4c3)O2)cc(OC)c1OC 27524655 XFGBQAXOJWXMCK-KRWDZBQOSA-N 353.378 2.878 0 1 FFAF CCC(=O)N1CCC(c2cc(Cc3ccc(OC)cc3)nc(N)n2)CC1 28761205 QLJLWTXMMFAELE-UHFFFAOYSA-N 354.454 2.774 0 1 FFAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O 27756562 UPFMWWOGIXICKQ-GGPKGHCWSA-N 371.525 2.772 0 1 FFAF COc1cccc2[nH]c3c([C@@H]4[C@@H](C(C)(C)O)CC[C@]4(O)CO)nccc3c12 2356603734 NDJNRBQJLNVWPV-GTXQTCRKSA-N 370.449 2.713 0 1 FFAF CC[C@H](O)C=CC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356707896 AOPOCGPBAIARAV-GBESFXJTSA-N 350.455 2.905 0 1 FFAF NC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N 73222452 NZSGGOJDVRRWTL-UHFFFAOYSA-N 354.222 2.928 0 1 FFAF COc1ccc(OC)c(CNc2ncnc3c2ncn3[C@@H]2CCCO2)c1 40916292 ALVFLAHXLRWIRY-HNNXBMFYSA-N 355.398 2.765 0 1 FFAF NC(=O)[C@@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 40620599 CNBKXUUHTVVJEP-BHYNMZESSA-N 362.904 2.504 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@H]25 85798194 UWJUSKOAJYNKFW-PAZSNEKJSA-N 366.417 2.774 0 1 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@]34CC(=O)[C@H]1C[C@]23Cc1ccc(O)cc14 95560148 WWZJATZYCGKHLQ-FBEWHJACSA-N 351.446 2.609 0 1 FFAF CC[C@H](C)CO[C@@H]1C[C@@H](CO)CC/C=C(\C)[C@@H](O)[C@H]2OC(=O)[C@H](C)[C@@H]21 238774521 IWFZPNVCTDXDMP-TVOYGJSRSA-N 354.487 2.695 0 1 FFAF C=CS(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 618020211 LLVIDFNPMQLTCO-UHFFFAOYSA-N 351.346 2.902 0 1 FFAF CCN=c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587753688 HVQGKIAAOGZBQN-PSLIRLAXSA-N 365.250 2.856 0 1 FFAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 586879102 DUIJFDKXKSLWEX-UHFFFAOYSA-N 369.446 2.894 0 1 FFAF COc1ccc(CNC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650313 JIIOMWIUCLIVNF-UHFFFAOYSA-N 372.446 2.818 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(-c3c(N)cccc3O)[nH]c2c1 587249800 KAFJQQPJYNWANM-UHFFFAOYSA-N 360.439 2.596 0 1 FFAF COC(=O)c1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cn1 587153905 BKJSTHWXISQNJG-GOSISDBHSA-N 354.341 2.675 0 1 FFAF CCOC(=O)C1CCN(C(=O)Cc2cc3c4c(cccc4n2)CC3)CC1 587211468 FEUPFVAHYGRGMK-UHFFFAOYSA-N 352.434 2.678 0 1 FFAF O=S(=O)(O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164836 CKLDQDPWGJMPEX-UHFFFAOYSA-N 372.381 2.861 0 1 FFAF CC(=O)N[C@H](Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccc(C)cc1 587216593 GNAIYJIKQXLYFX-QGZVFWFLSA-N 371.462 2.695 0 1 FFAF Oc1cc(O)nc(SCc2nc3cc(Br)c(F)cc3[nH]2)n1 586967243 VJPMITWFWINUNQ-UHFFFAOYSA-N 371.191 2.958 0 1 FFAF COc1ccc(OC)c([C@@H]2CCCc3c2cnc2nc(N)nc(N)c32)c1 5801155 MAKJOOFFSYGGBL-NSHDSACASA-N 351.410 2.675 0 1 FFAF CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)cn1 12227810 PSSNLMQDDVRTEI-QGZVFWFLSA-N 372.444 2.658 0 3 FFAF O=C1C(=O)N(Cc2ccccc2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 169687211 ZOEUBFKJBHQMPQ-ZWKOTPCHSA-N 360.369 2.826 0 1 FFAF COC(=O)C=C(C)CCC=C(C)CC[C@H](OP(=O)(O)O)C(C)(C)O 2356308918 JDMJTZPURCXYDX-AWEZNQCLSA-N 364.375 2.861 0 1 FFAF C[C@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O 1634821 DSNGQFFZCBJQKE-BQBZGAKWSA-N 350.626 2.740 0 1 FFAF O=C(O)[C@H]1Sc2nc(O)sc2[C@@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 1840406 GLRLETCXFWLLIY-WEDXCCLWSA-N 369.807 2.728 0 1 FFAF COc1cc(C[C@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)ccc1O 6018657 VVKJZDWKHOGKOG-CKJXQJPGSA-N 374.433 2.957 0 1 FFAF biogenic,in-vitro CCOCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6797032 DHMWZYWPZGISSJ-UHFFFAOYSA-N 371.462 2.736 0 3 FFAF COc1cc([C@@H]2OC[C@H](Cc3ccc(OC)c(OC)c3)C2=O)ccc1O 59587082 MPBLTTLWUVPJRH-XOBRGWDASA-N 358.390 2.917 0 1 FFAF biogenic,in-vitro NC(=O)c1cccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)n1 61905901 MHSBBMVMGRWSKD-CYBMUJFWSA-N 369.450 2.597 0 3 FFAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(CC3CC3)CCN21 2356303545 XTVAEVPDFMHHQX-GOSISDBHSA-N 361.917 2.971 0 1 FFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356811221 HPGWZMYAAOMWIK-VAMGGRTRSA-N 372.533 2.530 0 1 FFAF CN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)=C(O)C1=O 219145033 WQDGXNQDSQPULS-UHFFFAOYSA-N 356.353 2.518 0 1 FFAF C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95663665 OEBXSARLGHODSC-YOEHRIQHSA-N 362.470 2.952 0 1 FFAF NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1 95920911 KNFVNHRBTIJTNM-UHFFFAOYSA-N 356.432 2.796 0 1 FFAF in-vitro COc1cc(/C=C/C(=O)O)cc(OC)c1OC(=O)c1nc(C)c(C)nc1C 473135661 RFLCGUMKMUMMBT-VOTSOKGWSA-N 372.377 2.736 0 1 FFAF CCn1nccc1[C@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429863 BKXMUSXOMORPDL-APNNGBSVSA-N 353.422 2.630 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCCCCC3)OCC1=O)O2 587399610 KVJKCLHHCIHNFM-OAQYLSRUSA-N 370.449 2.640 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586959549 RBFHJBISTDRTIR-LJQANCHMSA-N 371.462 2.911 0 1 FFAF COC1(OC)CCOC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606478 DETNYBDTDCGGKB-APWZRJJASA-N 372.373 2.502 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232657 YDURDJXUEDNNDN-UHFFFAOYSA-N 353.407 2.897 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)O2 587409158 KPFPKAKVCNGVSR-QGZVFWFLSA-N 360.435 2.534 0 1 FFAF COc1cc2c3c(c1)O[C@](C)([C@H](N=O)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587426943 BJTNXUUAFGPMOW-QMIHWGKISA-N 366.373 2.975 0 1 FFAF O=S(=O)(CCc1nc2c(Cl)ncnc2[nH]1)c1ccc2c(c1)CCC2 586919877 ACYQQJJHVHLKLK-UHFFFAOYSA-N 362.842 2.511 0 1 FFAF Cc1cc2c(cc1O)[C@](C)(c1ccc3nc(O)sc3c1)N[C@H](C(=O)O)C2 963506176 FVVXGMUYERCGLM-LIRRHRJNSA-N 370.430 2.878 0 1 FFAF Cc1nn([C@@H](C)C(=O)NCc2cccs2)c(=O)c2cc3sccc3n12 5108669 MOBKNHKJJCRUSE-JTQLQIEISA-N 372.475 2.958 0 1 FFAF Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)n1 12079193 VJIICFIAIXFSDQ-HNNXBMFYSA-N 364.405 2.790 0 1 FFAF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1cncc(Br)c1)C(C)(C)C 13806325 PKMAANHPXVKISY-LOGQLAAJSA-N 352.232 2.699 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 13819463 HMIWADKNFBSLBZ-CQSZACIVSA-N 370.457 2.908 0 1 FFAF NC(=O)[C@H]1CCCN([C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 101403013 FBQPVRNOIUERMB-OJFPTFHUSA-N 365.468 2.591 0 1 FFAF O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1 1379674 ATOWVXQDPITWDC-LJQANCHMSA-N 351.450 2.720 0 3 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)O)CC3)cc1 1485191 BZNWTXRYYZHACY-LBPRGKRZSA-N 351.406 2.803 0 1 FFAF CCNc1cccnc1N1CCN(C(=O)c2nc3ccccc3o2)CC1 6385425 QEJJEVNEAXDLDN-UHFFFAOYSA-N 351.410 2.617 0 1 FFAF CCOCCCNC(=O)CCc1ccc(-n2cnc3cccnc32)cc1 6901005 ZQUBPPDQSCSGEW-UHFFFAOYSA-N 352.438 2.896 0 3 FFAF CCOC(=O)[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 26390384 KTZWUBDJHXVTDJ-KRWDZBQOSA-N 350.374 2.771 0 1 FFAF COc1cc2c3c(c1)[C@@H](C(=O)Nc1cc(F)ccc1F)C(=O)N3CCC2 26162561 APXCOTMRFGDODW-INIZCTEOSA-N 358.344 2.989 0 1 FFAF CC(CC[C@]1(C)C(=O)CC[C@H](O)[C@]1(C)O)=C1C[C@@H](c2ccoc2)OC1=O 2356614300 OXEYBYROEZOPME-UUXHPUJUSA-N 362.422 2.845 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NC(C)C)O3)cc1 61930840 QOFAMBIXKDHSPY-HXUWFJFHSA-N 353.422 2.925 0 3 FFAF CC[C@@H](O)/C=C\C=C/C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 231931450 AOPOCGPBAIARAV-SKJHYTNVSA-N 350.455 2.905 0 1 FFAF Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 143447500 AFPYUOYYEJVSQQ-GOSISDBHSA-N 373.334 2.965 0 1 FFAF C[C@]1(c2cccc(CC(=O)c3ccc(NC=O)cn3)c2)CCSC(N)=N1 96174273 ZYFSHFOSEFDJHG-LJQANCHMSA-N 368.462 2.742 0 1 FFAF O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)C1(c2ccccc2F)CC1 230571091 PNGCWYSRFUYNFJ-KJXMEXGPSA-N 354.425 2.751 0 1 FFAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CC=C[C@@H](O)[C@@H](O)CCC=C2 299816097 RARIQBVDTKXPRY-RRQGHBQHSA-N 362.422 2.724 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)=N1 299815463 GPBCQGAAWLZWIS-MQMNGKRASA-N 369.483 2.863 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2nc3nonc3nc21 587394164 CZGWKIXTDOUOGU-FQEVSTJZSA-N 371.356 2.793 0 1 FFAF N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1cccc2ccccc12 587258827 UHJHHOIYMCXYGH-INIZCTEOSA-N 366.446 2.606 0 1 FFAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587233762 AGTXOYPAKANXQJ-IUCAKERBSA-N 352.232 2.962 0 1 FFAF CCN(C)C[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925982 ROJPFHAXWOYHIR-PZJWPPBQSA-N 370.449 2.950 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@](Cn3ccnc3)(c3ccccc3)c3cccc1c32 963040014 ZXUMYJJROKDHTP-AOMKIAJQSA-N 358.445 2.880 0 1 FFAF COCCNc1c(-c2[nH]cnc2C)nc2ccc(Br)cn12 1857579560 NCLOKIBCPMIQJE-UHFFFAOYSA-N 350.220 2.854 0 1 FFAF CCOc1ccc(F)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857746211 SBIFDAHQVFNBRI-LBPRGKRZSA-N 366.414 2.974 0 1 FFAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCCN1CCCCCC1 2461791 BPMJQUCIXWYIJL-UHFFFAOYSA-N 357.454 2.791 0 1 FFAF COc1cc(O)ccc1-c1nc([C@H]2SC[C@@H](C(=O)O)N2C)cs1 103234739 UXFHEZQWEWULHT-SMDDNHRTSA-N 352.437 2.655 0 1 FFAF Cn1c(=O)c(Nc2cccc(NC(=O)c3ccno3)c2)nc2ccccc21 28523837 SPZWGYQRXMVURC-UHFFFAOYSA-N 361.361 2.917 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5cccnc45)C[C@@H]3C2)n1 116824254 YJTCYUPZJYYZLO-QZTJIDSGSA-N 373.460 2.850 0 1 FFAF CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccccc1 68728452 UFSUJWQOURKDBN-YDZRNGNQSA-N 358.397 2.510 0 1 FFAF Cn1cnc2cc(-c3ccc(C4(O)CCC4)cc3)nc(NC3CC3)c2c1=O 115625307 CBZADACPCUGYJZ-UHFFFAOYSA-N 362.433 2.941 0 1 FFAF CC[C@@]12CC[C@@]3(CO)[C@@H](CCC4=C5[C@@H](CC4)[C@H](C(=O)OC)C[C@]531)CN2O 2356518544 UPUSDFICAYQOLV-YBCGAOIWSA-N 361.482 2.908 0 1 FFAF COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1OC)OCO4)N(C)CC2 2356653114 BAXRCWPTHNMMEU-RTWAWAEBSA-N 369.417 2.757 0 1 FFAF CC(C)(C)[S@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@@H]1CCO 61943245 FDSKTHFLZUWLPV-HFJWLAOPSA-N 374.506 2.598 0 3 FFAF NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CCNCC4)cc3)nc2c1 28960158 UAGGEYIEZHEDQH-UHFFFAOYSA-N 350.422 2.707 0 1 FFAF COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc4occc4c3O[C@H]1CO2 6017850 KHAJUSVOOGYFIJ-PXNSSMCTSA-N 368.341 2.674 0 1 FFAF biogenic CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@@H](C)C5=O)[C@H]12 34435061 YPVJSAYFTDREBJ-YHDMYULQSA-N 362.466 2.960 0 1 FFAF Cc1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)o1 71316728 MTFKOJLUBNPXOJ-CYBMUJFWSA-N 370.340 2.564 0 1 FFAF C[C@H](CON1C(N)=NC(N)=NC1(C)C)Cc1ccc(Cl)cc1Cl 45192188 BHDZOHITMCDRIX-VIFPVBQESA-N 358.273 2.785 0 1 FFAF O=C(NC1(c2nccs2)COC1)c1cc(OCC2CC2)c(C2CC2)cn1 149235874 LHBFQYFMIYJROX-UHFFFAOYSA-N 371.462 2.860 0 1 FFAF Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F 95565720 ISVVCIBQUWCTCD-UHFFFAOYSA-N 369.387 2.547 0 1 FFAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O 261152863 PHUNDMDNZSZBDW-KRWDZBQOSA-N 354.797 2.820 0 1 FFAF C=CCC1=C[C@]2(OC)[C@@H](O)[C@H](C1=O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C 43123348 DMQHLPFSYZSVNQ-RHSWMZJBSA-N 372.417 2.605 0 1 FFAF biogenic CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 299880703 MSLDEDBADXHBHG-QKYXUNIQSA-N 368.433 2.674 0 1 FFAF COC(=O)c1cc(OC)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440169 AXJKGVXYBMTYIO-BEFAXECRSA-N 354.358 2.979 0 1 FFAF O=C(c1n[nH]cc1Cl)c1c(CO)oc2cc(Br)cnc12 587276619 PAHMOMSEVWEGDC-UHFFFAOYSA-N 356.563 2.690 0 1 FFAF CCNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432768 MZQOZXOEEJNEPL-IIBYNOLFSA-N 367.401 2.699 0 1 FFAF N[C@H](N=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228148 JMTDYEMUNHYMDF-QGZVFWFLSA-N 353.382 2.756 0 1 FFAF Cc1c(Br)cnc2[nH]c(CS(=O)(=O)C3CCCC3)nc12 586924138 IUKSSVHTWHRKEY-UHFFFAOYSA-N 358.261 2.886 0 1 FFAF CC(=O)N(C)[C@@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772645226 ICSAGNZCYOXTDK-LBPRGKRZSA-N 353.426 2.514 0 1 FFAF COc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)NCCc2ccccc2)cc1OC 5035896 GELUSSLIXXCJJG-UZLBHIALSA-N 369.417 2.667 0 1 FFAF CC(C)CC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130154 OUVYJWCXRAFJGR-UHFFFAOYSA-N 355.442 2.696 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302644 KHXJSERNUXHHSP-LSDHHAIUSA-N 355.438 2.763 0 1 FFAF CC1(C)O[C@@]2([C@H]3C[C@@H](Cc4ccc(=N)[nH]c4)C[C@@H](CO)C3)CC[C@H]1[C@H](N)C2 2356379590 ZVWAIVBUSQDSJF-ZNSTUHFMSA-N 373.541 2.736 0 1 FFAF COc1cc(OC)cc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)c1 6996814 KZTNAMOBVZMTIJ-SFHVURJKSA-N 356.403 2.589 0 1 FFAF CCN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1 101270897 IVZJROIOJSZARI-PIIMJCKOSA-N 372.900 2.914 0 1 FFAF CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@H]2C1=O 103260454 QLBYNJNJSAHWFL-RTBURBONSA-N 353.466 2.895 0 1 FFAF O=C1CC(=O)N(C(=O)OCc2ccccc2)[C@@H]1COCc1ccccc1 102903494 DHBYXSFRGLRNOF-QGZVFWFLSA-N 353.374 2.710 0 1 FFAF O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)CN1c1ccccc1 27980523 MGUGEGGOSCITJA-HXUWFJFHSA-N 366.461 2.618 0 1 FFAF OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1F 26495538 BJWKGTQPLVXLDV-GWOFURMSSA-N 355.580 2.585 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 61905557 ZUBKMJQHQHWRLM-QGZVFWFLSA-N 372.387 2.710 0 3 FFAF COc1cccc2c1c(CCN(C)C)cn2S(=O)(=O)c1ccccc1 36093378 GEORPUVVXOBYHO-UHFFFAOYSA-N 358.463 2.991 0 1 FFAF COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(C)=O 73273618 QLTMJCFLTYHLPY-UHFFFAOYSA-N 364.423 2.771 0 1 FFAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1ccnc(N)c1 45339480 JTGZBMUKWFGLIK-LJQANCHMSA-N 369.856 2.621 0 1 FFAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)c(N)c1 84615735 IUEIVYVQJYHSFS-MDZDMXLPSA-N 363.435 2.880 0 1 FFAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C#N)cnc12 140135065 JPOKMXYVDZDHCA-UHFFFAOYSA-N 361.384 2.999 0 1 FFAF CCn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276467 QIVNINCUWDOLFU-UHFFFAOYSA-N 368.162 2.669 0 1 FFAF CC(C)(CN1CCCC1)[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232585 OPTKDQSIADUZIO-RBUKOAKNSA-N 353.466 2.997 0 1 FFAF Cc1nnc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)o1 12057067 IPQOYXBCJJILJW-UHFFFAOYSA-N 356.382 2.834 0 3 FFAF C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)[C@H]2CC2(F)F)ccc1F 169702980 PUJNNEOQOMQHHE-WKPIXPDZSA-N 359.323 2.708 0 1 FFAF CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1OCC 167311747 CEMDJRXKJDUJQM-RGCFKVTRSA-N 355.434 2.834 0 1 FFAF O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(F)c1 1857578149 HYCAUDCLHDIUOR-UHFFFAOYSA-N 359.378 2.863 0 1 FFAF Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)c1 1534226 NRULKSIEDTYWQA-INIZCTEOSA-N 367.405 2.549 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)[C@@H]1C 4836432 HOLIECHQXGXZCZ-NOXMMZGTSA-N 359.422 2.913 0 1 FFAF CC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 6412153 LPVMGHAIQBNBCR-FUHWJXTLSA-N 368.389 2.868 0 1 FFAF CC1(C)C(=O)C(C)(C)C12SC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 103948564 BSZGZXJPWCSXJO-UONOGXRCSA-N 357.475 2.909 0 1 FFAF CO[C@H]1[C@@H](O)[C@H](OC)CO[C@@H]1Oc1cc(C)c2c(c1)C(=CCl)CCN2 2356462599 YDKCHRURWAZULR-LAVFITLUSA-N 369.845 2.516 0 1 FFAF CC=Cc1cc2c(o1)C(=O)[C@@](C)(OC(=O)c1c(C)cc(O)cc1O)[C@@H](O)C2 2356717179 JOYCBRUDRSSQCN-YWZLYKJASA-N 372.373 2.748 0 1 FFAF CC(C)(C)CN1CCC[C@H]1c1nc(C2=C[C](N3CCOCC3)NC=C2)no1 2356835727 NAGCLCHFUAYMDU-INIZCTEOSA-N 372.493 2.575 0 1 FFAF N=C(N)c1ccc(-c2cn3c(n2)CC[C@H](c2ccc(C(=N)N)cc2)C3)cc1 34462048 IPKPWAVSORLPCX-KRWDZBQOSA-N 358.449 2.848 0 1 FFAF CCOC[C@]1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O 49089704 CKPMOWXBASFJMZ-OAQYLSRUSA-N 371.433 2.795 0 1 FFAF CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 40873346 SLWSWKGGZQCLDU-PFQVVGMRSA-N 373.449 2.846 0 1 FFAF O=C1NC(=O)[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 82158213 CJTNODSVBHYQAY-YCRPNKLZSA-N 359.385 2.879 0 1 FFAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(CCC(=O)O)c1O2 84670391 GTIBLZWKICYMMJ-SZELWCTASA-N 362.422 2.893 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cc(CF)ccn3)CN1CC2 45355978 SSNJAKZRFZKNGS-SCTDSRPQSA-N 371.456 2.982 0 1 FFAF Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)nc2)n1 224725199 QCARKGQQXDDMAD-UHFFFAOYSA-N 357.377 2.952 0 1 FFAF COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)cc1OC 40917549 URTWTMWIAYYEGR-HNNXBMFYSA-N 355.398 2.765 0 1 FFAF CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208038 NMTDPTWYRIOGIM-MRXNPFEDSA-N 374.460 2.860 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](O)NC(C)=O)CC2=O 587471583 UFMMVMOVJHJVJT-RTWAWAEBSA-N 369.417 2.660 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)O2 587395665 DXAPELZHDVNMAZ-NRFANRHFSA-N 361.401 2.913 0 1 FFAF Cc1noc(C)c1CN1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772642799 UMRIVRAQUIHRGC-UHFFFAOYSA-N 351.414 2.590 0 1 FFAF CN(CCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Cc1ccccc1 169290293 JCQWKPHRUQWHIZ-MUJBESKKSA-N 350.462 2.562 0 1 FFAF COc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)c(OC)c1 1347808 QYFHABUZFDCWBA-UHFFFAOYSA-N 357.410 2.614 0 3 FFAF CC(C)COc1ccc(C2=c3ccccc3=NC(c3cccnc3)=NN2)cc1 6134901 VVWWHMKREKMTSG-UHFFFAOYSA-N 370.456 2.858 0 3 FFAF C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C=O 103298574 LVQYSXFIJXWEGP-MRVPVSSYSA-N 370.839 2.750 0 1 FFAF CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(S(C)(=O)=O)cc1 26935374 BXKQWMSQWNZDTH-UHFFFAOYSA-N 359.403 2.611 0 1 FFAF COc1cc2c(cc1OC)-c1c(N)c3cc(OC)c(OC)cc3c[n+]1CC2 29406918 LNADHEJNQOKVJL-UHFFFAOYSA-N 367.425 2.967 0 1 FFAF CCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]12CNC(=O)O2 29220757 CCGMAOINNDAIFH-UVFQYZLESA-N 360.454 2.902 0 1 FFAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 2356660736 RPWOFAVQGNBGTB-ZYUPJYIPSA-N 350.455 2.634 0 1 FFAF C[C@H](O)C[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 2356805539 ACQHZORIRZCPLG-NVBFEUDRSA-N 358.225 2.624 0 1 FFAF O=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1 35907011 RXIURVGGLQTWNU-UHFFFAOYSA-N 371.481 2.895 0 1 FFAF N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@H](C(=N)N)C4)cc2)cc1 40487375 AUDUAIQWVZGFHX-KRWDZBQOSA-N 358.449 3.000 0 1 FFAF CCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1 96921396 VOSBDRADKHZBAZ-SNVBAGLBSA-N 371.363 2.611 0 1 FFAF O=C(N[C@@H]1COc2ncccc21)[C@H](CO)c1ccc(Cl)cc1Cl 146600572 DPNPLMFVTDNEQR-TZMCWYRMSA-N 353.205 2.714 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586922866 UGPQVCAICNQWHQ-UHFFFAOYSA-N 370.356 2.708 0 1 FFAF NC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041975 GHJFUPVFHCGNKN-AWEZNQCLSA-N 372.837 2.971 0 1 FFAF Fc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)nc1Br 587156187 YNASFDGWNGHRFJ-UHFFFAOYSA-N 360.150 2.502 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1S(C)(=O)=O)[C@@H](C2)C3=O 587429498 VIFUIGPDXYVDKB-UGSOOPFHSA-N 362.378 2.727 0 1 FFAF COC(=O)c1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2ccccc12 587436909 VBMIRYCZADQJIV-XIKOKIGWSA-N 364.357 2.618 0 1 FFAF C[C@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590421 ZZPZROKAWUUMHN-QFBILLFUSA-N 350.330 2.765 0 1 FFAF COc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2n1 587259157 DUCDUWNYTLFTMJ-AWEZNQCLSA-N 369.425 2.673 0 1 FFAF CCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772636862 GLDHWRNHMTWDKJ-UHFFFAOYSA-N 359.474 2.609 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4CC[C@@H]3CN4)cc21 5834277 XRSXCUKNZCMZCH-VXGBXAGGSA-N 373.428 2.534 0 1 FFAF CCOc1ccc(OCC)c(NC[C@H]2CCc3nc(N)nc(N)c3C2)c1 5845224 HGKWDWXLYOQMCF-LBPRGKRZSA-N 357.458 2.655 0 1 FFAF O=C(O)C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857631173 KGUAZSKOPLEOMN-AWEZNQCLSA-N 373.748 2.850 0 1 FFAF COc1ccc([C@@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857632937 NBYIZSXXIVKRNP-SFHVURJKSA-N 373.449 2.813 0 1 FFAF O=S(=O)(c1ccncc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1190876873 WANGVFKIGPQLBV-ONCXSQPRSA-N 373.522 2.665 0 1 FFAF CCO[C@@H]1O[C@@H]2CN(C)[C@@H]3CC(OC)=CC[C@@]23c2cc3c(cc21)OCO3 2356427500 CQBZGAVUNOGFCS-WTGUMLROSA-N 359.422 2.725 0 1 FFAF NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@@H](O)CO)n1 114591482 XPEOHPFVNQOFMU-IBGZPJMESA-N 368.364 2.805 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@]2(O)[C@H]31 2356663592 NJKMRMVURXZVOC-WRRDTTDDSA-N 358.390 2.534 0 1 FFAF CCOC(=O)C(=CNc1ccc(C(=O)OCC)c(Cl)c1)C(=O)OCC 45393626 KOQOGPNRZWIIGJ-UHFFFAOYSA-N 369.801 2.939 0 1 FFAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(C(=O)O)cc(=O)n(C3CC3)c12 1911581486 CDMCKDTVSXZUSH-NWDGAFQWSA-N 373.428 2.656 0 1 FFAF CN(C)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144788103 SUERZZYAHNVIDL-KRWDZBQOSA-N 351.324 2.932 0 1 FFAF CC1=C2[C@H](C/C(C)=C/CC[C@H](C)[C@@H]3CC[C@](C)(O3)[C@H](O)[C@H]2O)OC1=O 140335107 UBMHMIZHPPOKIP-UNILHJLPSA-N 350.455 2.654 0 1 FFAF CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O 261497626 OYPPJMLKAYYWHH-NZGAELDRSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CCOc1ccccc1[C@@](N)(c1nc2cc(N)c(N)cc2[nH]1)C(F)(F)F 587092392 LURVFFWVNKWQDQ-MRXNPFEDSA-N 365.359 2.891 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cncc(Br)c2[nH]1 586961243 GQWVSMHAMQUWBA-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1C 586951619 RNZDTQNAONOWDL-UHFFFAOYSA-N 352.441 2.683 0 1 FFAF N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOC1 587248566 UEYPYMOTWBXBLD-NSHDSACASA-N 350.138 2.919 0 1 FFAF COc1ccc(-c2nnc(-c3ccc4c(c3)C[C@](N)(CO)CC4)o2)cc1C 1772593514 OQGAPYKRNGOUFA-NRFANRHFSA-N 365.433 2.899 0 1 FFAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2CO)c1 15153089 QXMSVIXIQRDNOM-FPZJGVQBSA-N 372.373 2.717 0 1 FFAF CC[C@]1(C)Cc2c(sc3nc(SCC(=O)OC)nc(O)c23)CO1 17971738 JBBLBKYSZJHABK-OAHLLOKOSA-N 354.453 2.903 0 1 FFAF COC(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1 169068227 SQPIIYGBMFSLFR-UHFFFAOYSA-N 352.398 2.663 0 1 FFAF C/C=C1\CN2C(=O)[C@@]3(c4ccc(OC)cc4NOC)C[C@@H]2[C@@H]2CO[C@H]3C[C@H]12 169664488 TWUIIOHPTBVCEV-MQVPABHZSA-N 370.449 2.502 0 1 FFAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)cc3C)c12 169697370 YEFQBZSJZYEQFZ-UHFFFAOYSA-N 363.425 2.859 0 1 FFAF O=c1[nH]c(O)c(/C=C/c2ccc3ccccc3n2)c(=O)n1-c1ccccc1 6393226 JOXUCKGIGRSNRL-OUKQBFOZSA-N 357.369 2.950 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl 1857600463 XGJHIDWTIGNILQ-UHFFFAOYSA-N 374.828 2.904 0 1 FFAF N=c1[nH][nH]c2ccc(-c3cnc(-c4ccccc4-n4cnnn4)s3)cc12 1857612321 ODIGOIQVBMQZDI-UHFFFAOYSA-N 360.406 2.742 0 1 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O 2356289684 XVHIBAHIVJXLAF-QKNQBKEWSA-N 358.482 2.796 0 1 FFAF CC[C@@H](C)C(=O)C(=O)NCCc1c(-c2ccc[n+](C)c2)[nH]c2ccccc12 29417085 RJHIMMDZJXBPIL-OAHLLOKOSA-O 364.469 2.933 0 1 FFAF Fc1ccc(OC[C@@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 27851346 QXWNESOGWFJDFR-RHSMWYFYSA-N 360.408 2.734 0 1 FFAF O=C(OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1CO)c1ccccc1 28865032 CDURXQQGCRVCMR-MGPQQGTHSA-N 372.812 2.506 0 1 FFAF COc1cc(C[C@]2(O)CC[C@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 2356468414 AIPSXMGLGCDLLD-VWKPWSFCSA-N 374.433 2.575 0 1 FFAF O=C1Nc2ccc(Br)cc2[C@]1(O)c1ccc(O)c2[nH]ccc12 2356794237 LBPCLLWDFLWBMJ-MRXNPFEDSA-N 359.179 2.824 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)[C@H](O)N3CCC[C@@H]3C[C@H]12 2356805661 VJFXOWNUUNFJBE-FUBXFKNMSA-N 367.449 2.679 0 1 FFAF Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 149653592 QURJBQQAYVMKHZ-LJQANCHMSA-N 373.884 2.877 0 1 FFAF O=C1[C@H]2Cc3ccccc3CN2C(=O)N1CCCN1Cc2ccccc2C1 299819239 AAIMRBAZLJIYQI-HXUWFJFHSA-N 361.445 2.781 0 1 FFAF C=CC(=O)Nc1ccccc1N=c1[nH]c(Nc2ccnn2C)ncc1Cl 474609900 WXMCOSHTOJTIFK-UHFFFAOYSA-N 369.816 2.897 0 1 FFAF CON(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336134 LSAXAGMHXLTMQS-LPHOPBHVSA-N 359.353 2.669 0 1 FFAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1 586973941 SHQMHGDVMCOHCN-MRXNPFEDSA-N 368.462 2.772 0 1 FFAF CCOC(=O)CCCC(=O)NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511608 MDAPYJVTACZGJG-HNNXBMFYSA-N 373.449 2.749 0 1 FFAF CN(C)CCOc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587024528 BWQBPGFHDNYKRA-UHFFFAOYSA-N 367.525 2.936 0 1 FFAF COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938660 YGJKISHAWYHUFR-XTZNXHDOSA-N 353.378 2.740 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)on1 587867531 IIOGDJGOLRCDLN-UHFFFAOYSA-N 352.272 2.957 0 1 FFAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)NCCc1cc2cccc(OC)c2nc13 963066052 LLRNSDTZNNNTRI-GWLAIFECSA-N 352.434 2.804 0 1 FFAF Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12836401 AZHBDAIXOQIHQZ-KRWDZBQOSA-N 374.529 2.957 0 3 FFAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1[C@H]2O)OCO4 14618299 FLSSXYPKPLFNLK-OALUTQOASA-N 355.390 2.579 0 1 FFAF biogenic O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccc(Cl)cc2)nc(=O)c1O 205694001 NFJPMOLYFYVIAP-UHFFFAOYSA-N 373.771 2.865 0 1 FFAF Cc1ccc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nn1 1857544538 HQSUYAAXSYOSQF-UHFFFAOYSA-N 364.453 2.793 0 1 FFAF CC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 601493 HCMZTUUUKUXOFC-HOTGVXAUSA-N 351.358 2.887 0 1 FFAF Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 104696158 LJUHFKGXUTUDLN-OAHLLOKOSA-N 371.396 2.931 0 1 FFAF COc1cc2c(cc1O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@H](C)O)C2 29390030 JXLOCCNKUYGHHM-GLQYFDAESA-N 358.390 2.988 0 1 FFAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 61903019 ALNCIWHYFLXTJM-MRXNPFEDSA-N 357.376 2.787 0 3 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@@]1[C@@]3(O)[C@H]2CNC1CCCC1 2356778809 DULRAFVTZYWWOW-IXTCDFJYSA-N 352.478 2.692 0 1 FFAF CN(c1ncc(F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 72317223 VWOIUAYZYVSQOQ-ZDUSSCGKSA-N 372.375 2.788 0 1 FFAF CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O 40848161 QPSOLTWXZHKGRP-UHFFFAOYSA-N 357.410 2.698 0 1 FFAF NC(=O)c1ccc2nc(-c3ccc([C@@H](O)C4CCOCC4)cc3)[nH]c2c1 137992454 FHORTESGVDDAKG-GOSISDBHSA-N 351.406 2.789 0 1 FFAF O=C(NCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133401 YFGBKAAWHJMRLR-UHFFFAOYSA-N 374.444 2.910 0 1 FFAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 255269387 SWVDHUZTLUXSGL-IPEZHXDMSA-N 364.526 2.783 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(=O)O)c1)[C@@H](C2)C3=O 587441239 RZJVIZDYWRFFEH-RNODOKPDSA-N 370.357 2.656 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(=O)N(C)C)c1)O2 587386015 GMEMJGXYODKPOU-GOSISDBHSA-N 354.406 2.751 0 1 FFAF CN(CCO)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334128 HLKCLRNVCLALEV-UYAOXDASSA-N 359.397 2.573 0 1 FFAF CCOC(=O)[C@@]1(c2csc(=N)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587536673 ZCFINSWMQUOKEM-IBGZPJMESA-N 372.446 2.858 0 1 FFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 587164601 XKTAPBMNACZJES-LLVKDONJSA-N 350.195 2.857 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCOCC1 587863640 OMPUGNJQTUCVIW-UHFFFAOYSA-N 369.343 2.550 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(=O)O)c(F)cc3[nH]1)C2 587247514 SYFPQLNPBSLBLG-IBGZPJMESA-N 355.369 2.752 0 1 FFAF C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 14649879 TYPMTMPLTVSOBU-ADVNRQGKSA-N 352.434 2.963 0 1 FFAF Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCOCC2)o1 19897387 VXPWPEJCDWXCFI-GOSISDBHSA-N 353.422 2.598 0 1 FFAF CC[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166426062 FYTSMTNYDJSVKF-KRWDZBQOSA-N 353.422 2.735 0 1 FFAF Cc1ccc2nc([C@](O)(c3ccccc3)c3cccc(=O)n3C)n(C)c2c1 1857608878 WGHCDAXCYFRWQN-QFIPXVFZSA-N 359.429 2.865 0 1 FFAF C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1cccc(Cl)c1 772234 QYNZKPVAEQBLHS-XLIONFOSSA-N 372.852 2.800 0 1 FFAF CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)s1 1379661 MUSDRYIBCNHBTF-LBPRGKRZSA-N 351.476 2.546 0 3 FFAF COc1ccc(-c2noc([C@@H]3C[C@@H](NCc4ccccn4)CN3C)n2)cc1 2356301232 ZQSBSXJPZNLZNZ-AEFFLSMTSA-N 365.437 2.675 0 1 FFAF Cc1ccccc1[C@H]1CC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 101708459 OYYGYVGHLSLCSL-HXUWFJFHSA-N 363.461 2.617 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(OC(C)=O)[C@H]2Cc1c3[nH]c2ccccc12 2356514860 ORKSTZFIQKROIC-LYSIVYOWSA-N 352.434 2.710 0 1 FFAF COc1ccc(CN2CC(=O)[C@H](SCCc3ccccc3)C2=O)cc1 38208658 QSWUGHOXZRQPOW-IBGZPJMESA-N 355.459 2.951 0 1 FFAF O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(F)cc1 40465124 RJPAZWDGQKZNNL-PZJWPPBQSA-N 355.409 2.699 0 1 FFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCCSC 82219724 LBORRRXNGFKXHD-KOBNLHKSSA-N 356.532 2.608 0 1 FFAF O=C(NCC1CCCCC1)c1nc(CCc2ccccc2)nc(O)c1O 1911577965 PBLQOOQJAAUXQW-UHFFFAOYSA-N 355.438 2.983 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 195429138 AALLCALQGXXWNA-WARWBDHMSA-N 358.390 2.533 0 1 FFAF COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 45375194 WVFYHTPKCKLCDM-QGZVFWFLSA-N 351.410 2.637 0 1 FFAF CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 95894052 WLJHDKMSTGEMPM-QRVBRYPASA-N 369.396 2.553 0 1 FFAF CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CC[C@@H](O)C3)nc2)cc1 96270036 AKDGDOFQGWPFQD-QGZVFWFLSA-N 369.465 2.968 0 1 FFAF CN1C(=O)N[C@@H]2c3ccccc3O[C@@]1(C)[C@@H]2COC(=O)c1ccccc1 95783860 OSBVUHHADVYINK-MDYRTPRTSA-N 352.390 2.965 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC2CC2)cc1 95894813 OIEGYFAFDUVRDN-KXNIXLNVSA-N 370.493 2.701 0 1 FFAF C[C@]12CC(=O)[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[C@H](O)CO 255244693 NGYONPIMXAHRCT-XEIOFSQYSA-N 350.499 2.538 0 1 FFAF NC(=O)c1cnn2cc(-c3ccccc3F)cc2c1NC1CCOCC1 261102261 GOYOSENLNOKZEA-UHFFFAOYSA-N 354.385 2.830 0 1 FFAF COC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 377845661 PRYWFCATFFJSSM-UHFFFAOYSA-N 357.186 2.617 0 1 FFAF Cc1ccc(N2C(=O)C[C@H](Sc3nncn3-c3ccccc3)C2=O)cc1 299867219 XRYMPEYWZQAWLC-INIZCTEOSA-N 364.430 3.000 0 1 FFAF CC(=O)N(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O 587570424 IQRWMBHJXYQSEF-FXAWDEMLSA-N 369.373 2.508 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(=O)O)cc21 587482777 JHLNZKKNCLOHJP-FQEVSTJZSA-N 367.357 2.856 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccnc2)N1 587775672 SZVBZOHZJLCEMT-XXFAHNHDSA-N 365.202 2.846 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1N(S(C)(=O)=O)CC3)O2 587408503 HBZJQTYKBZYIEW-KRWDZBQOSA-N 372.446 2.606 0 1 FFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 587202090 ABRZSOWUNXRQQV-UHFFFAOYSA-N 352.398 2.888 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccco1 587614294 BVTYTGNBSFXPGM-BEFAXECRSA-N 352.298 2.927 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598469 XTSPTYSXWINZPB-ZINOCKGTSA-N 353.374 2.639 0 1 FFAF C[C@@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C=C(c2ccccc2F)NO1 587153875 AXTHDGKTDLXKPT-IBGZPJMESA-N 366.352 2.824 0 1 FFAF COc1cc(CCC[C@H]2CCc3nc(N)nc(N)c32)cc(OC)c1OC 5888659 KMGSMVQZXMWFBL-LBPRGKRZSA-N 358.442 2.720 0 1 FFAF COCCc1ncc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)cn1 11702265 GAHLMNLBWKXEFS-NRFANRHFSA-N 358.530 2.754 0 1 FFAF COc1ccc(C(=O)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC 14637082 YLDBLMRCKFFWSK-UHFFFAOYSA-N 368.409 2.930 0 1 FFAF NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205476201 HNLHTKUVXSMOJF-MOPGFXCFSA-N 368.364 2.560 0 1 FFAF Cn1nc(C(=O)N(CCN)Cc2ccccc2)c2c1-c1ccccc1OC2 1857549848 NPZOLEBIGLVKET-UHFFFAOYSA-N 362.433 2.581 0 1 FFAF Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1 1857557422 HDKVQZPVWAAQSA-UHFFFAOYSA-N 366.446 2.547 0 1 FFAF O=C(NCc1cccnc1)c1cccc2c1C(=O)N(Cc1cccnc1)C2 4920024 QLWLLBMQSXPBQN-UHFFFAOYSA-N 358.401 2.563 0 3 FFAF CCC(=O)N1c2ccc(S(=O)(=O)NC3CCCCC3)cc2C[C@@H]1C 6730044 KCDAIXUFWANNMC-ZDUSSCGKSA-N 350.484 2.985 0 3 FFAF COc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1 113423860 BWPPXBNBCLYNSF-UHFFFAOYSA-N 362.437 2.935 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3C2)n1 116822692 KYQDZVMSJLXAST-KBPBESRZSA-N 358.392 2.580 0 1 FFAF O=C(O)c1ccccc1OC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 29327197 AZHQHZNUAUWFQZ-MRXNPFEDSA-N 353.374 2.524 0 1 FFAF Cc1nc(C(=O)NCC(=O)O)c(O)c2cc(Oc3ccccc3)ccc12 114016770 ZLDYCVXVGXUSBB-UHFFFAOYSA-N 352.346 2.856 0 1 FFAF O=C(N[C@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O 28820261 KTMKXZDZXDYLAP-LBPRGKRZSA-N 353.403 2.621 0 1 FFAF CC1(C)CCC[C@]23[C@H](CCC4=CC(=O)O[C@H]4O)[C@](C)(CC[C@H]12)O[C@H]3O 2356807428 WINVMGUEZGASDH-NTSLAIKJSA-N 350.455 2.898 0 1 FFAF CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 36378678 XWCKAUWZNDOCDX-XEGUMIITSA-N 352.471 2.895 0 1 FFAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2CC3)cc1 49046770 HVDBCHMIMRDBOY-UHFFFAOYSA-N 352.419 2.633 0 1 FFAF COc1cccc(NC(=O)N2CCN(c3ncnc4[nH]cc(C)c34)CC2)c1 45255003 FXQYSASDTKPUOS-UHFFFAOYSA-N 366.425 2.629 0 1 FFAF CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)CC1 82132663 TZFHAIKEIYZNDE-UHFFFAOYSA-N 366.465 2.852 0 1 FFAF COc1cc(C2=NCCN2)ccc1-c1cc2ccc(C3=NCCN3)cc2o1 40420433 HUAGDTDFNIIEKW-UHFFFAOYSA-N 360.417 2.808 0 1 FFAF CCn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(=O)[nH]3)cc21 231363339 BUSKMSQAPVYQAP-HXUWFJFHSA-N 368.412 2.718 0 1 FFAF NC(=O)c1ccc(-c2cnc3ccc(NCCc4ccccn4)nn23)cc1 96907639 XWQBSFFJYLWGDF-UHFFFAOYSA-N 358.405 2.545 0 1 FFAF O=c1[nH]c([C@@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1 145051349 IVFWFHHENYUJLU-UONOGXRCSA-N 351.410 2.527 0 1 FFAF c1ccc2[nH]c(N3CC(Oc4nccnc4C4CCOCC4)C3)nc2c1 146338381 AWZANWRMUFWQJJ-UHFFFAOYSA-N 351.410 2.515 0 1 FFAF CCOc1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)ccc1OC(F)F 587129993 INZZQOYPGRYZDZ-XQRVVYSFSA-N 364.308 2.935 0 1 FFAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)O)c1 587439623 LQUFDOOGRBCGKV-VLIAUNLRSA-N 370.357 2.656 0 1 FFAF N[C@@H]1CC[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C1 587246258 FGXRTBPSALHZLU-NTSWFWBYSA-N 362.602 2.811 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)C(C)C 586932105 AGTVHVLYNGRBJD-OAHLLOKOSA-N 353.444 2.708 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)O)cc2[nH]1 587194906 ZMSIFYMSGXHMBM-CYBMUJFWSA-N 362.430 2.779 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586942154 HLRIKCMUBHNRDY-UHFFFAOYSA-N 353.341 2.593 0 1 FFAF COc1ccc2c(c1)[C@](C)(CC(=O)Nc1nccc(C)n1)N[C@@H]1CC[C@H]21 962997677 RVTKLMFOUQOHQP-MDYRTPRTSA-N 352.438 2.887 0 1 FFAF CN1c2ccccc2[C@]2(CS1(=O)=O)c1c(F)cccc1C[C@@H]1CCCN12 963114644 VIPVBKKMDVOYQU-MGPUTAFESA-N 372.465 2.869 0 1 FFAF COc1ccc(CNc2nc(N)[nH]c3nc4ccc(O)cc4c2-3)cc1OC 1772650124 QQXOSHNOICWNIG-UHFFFAOYSA-N 365.393 2.980 0 1 FFAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCCN)c12 1772579244 HJJYRLAUIZJGEL-UHFFFAOYSA-N 356.451 2.854 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 5447849 LHQSXNQSQNPTRT-MVJTYMMSSA-N 368.433 2.774 0 1 FFAF Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 11699574 MRHLIEKBXCXEGS-OAHLLOKOSA-N 357.364 2.691 0 3 FFAF Cc1c(CC(N)=O)c2cc(OCCC(=O)O)ccc2n1Cc1ccccc1 13445831 ABTRNWUUJBQDHM-UHFFFAOYSA-N 366.417 2.879 0 1 FFAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 13560115 CYDFRMLIERPUGG-UHFFFAOYSA-N 373.472 2.657 0 1 FFAF COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 169373173 FKJWXENQWKBJRW-ZVADZRJFSA-N 367.489 2.751 0 1 FFAF NC[C@@H](N)CCC(=O)NC(CCc1ccccc1)CCc1ccccc1 1857541797 ZKAJNODOBGNCGU-FQEVSTJZSA-N 353.510 2.803 0 1 FFAF Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 580445 MAQRRFANFOCRSD-OAQYLSRUSA-N 355.478 2.674 0 1 FFAF O=C(NC[C@H]1CCCCN1)c1ccc(O)c2nc(-c3ccccc3)[nH]c12 118668446 HHWUJDYTPHLTIF-CQSZACIVSA-N 350.422 2.807 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(C)cc(Br)c1OC 27746000 RJRWIRZRHNAMJZ-NSHDSACASA-N 371.275 2.686 0 1 FFAF CCCCO[C@@H]1C[C@@H]2CCN(C)[C@@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]21)OCO4 2356583757 GEZHQZVRFGIEGQ-AUQCOVCCSA-N 373.449 2.947 0 1 FFAF Cc1cc(NC(=O)c2ccc3cc4n(c3c2)CC(C)(C)CNC4=O)no1 117695018 ZYLQWKJDCHREAH-UHFFFAOYSA-N 352.394 2.960 0 1 FFAF COc1cccc2c(O)c3c(c(O)c12)C(=O)C[C@](C)(O)[C@H]3[C@H](C)OC(C)=O 2356799798 UWKGMILNJMBASL-SUBKHZAZSA-N 374.389 2.632 0 1 FFAF Cc1nnc2c(NC3CCOCC3)cc(N(C)Cc3ccccc3)nn12 213517991 AANDIKQXVWVQHK-UHFFFAOYSA-N 352.442 2.660 0 1 FFAF O=C1c2cc(Br)ccc2O[C@H](c2ccc3c(c2)OCO3)[C@H]1O 72141813 OFXFLYMEGZWBEJ-JKSUJKDBSA-N 363.163 2.855 0 1 FFAF Nc1scc2c(C(=O)NC3CC3)nn(-c3ccccc3Cl)c(=O)c12 84672522 NPKPAIFRDLWPRS-UHFFFAOYSA-N 360.826 2.575 0 1 FFAF COc1ccc2c(c1)CN1C(=O)N(Cc3ccccc3)S(=O)(=O)C[C@H]21 96020194 KQVSDPZMUNNNDS-QGZVFWFLSA-N 358.419 2.518 0 3 FFAF COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 96914127 UOWWWPYFAPQMPE-HNNXBMFYSA-N 354.406 2.985 0 1 FFAF O=c1cc(-c2ccc(-c3nnco3)cc2)[nH]c2c(-c3ccccn3)cnn12 653680380 CAVKBKAIOSKDAW-UHFFFAOYSA-N 356.345 2.802 0 1 FFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(O)c2[nH]1 587202492 ITNWAMHDOYHEQN-ZDUSSCGKSA-N 355.350 2.711 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3ccc(CO)cc3[nH]2)C(F)(F)F)n1 587094736 USBNZROFXGZMNH-AWEZNQCLSA-N 357.357 2.813 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(Cl)c2[nH]1 586929441 CKRDJRBJQDUHSD-UHFFFAOYSA-N 351.815 2.751 0 1 FFAF N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCOC1 587248601 UVCJTGDUHHAFKP-LLVKDONJSA-N 366.137 2.798 0 1 FFAF NC(=O)c1c(/N=c2\oc3ccccc3cc2C(N)=O)sc2c1CCCC2 4177577 LQMFKZUPXHWIPX-PYCFMQQDSA-N 367.430 2.803 0 1 FFAF O=C(/C=C/c1ccccn1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 12078127 OLAACMSXUHZEHJ-FZMUQLTDSA-N 358.401 2.672 0 1 FFAF O=C(NCCCc1ccccn1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12431076 OYCHNSMXAHOHPG-KRWDZBQOSA-N 369.440 2.708 0 3 FFAF COc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1OC 12600586 CUVUPOUYAHKGCP-DZKIICNBSA-N 363.454 2.730 0 1 FFAF CN(Cc1ccc2c(c1)Cc1ccccc1-2)c1cnc2nc(N)nc(N)c2n1 1565343 SWMFXYFCNKWUPO-UHFFFAOYSA-N 369.432 2.792 0 1 FFAF COc1ccc(-c2noc(C(=O)NCc3ccncc3)c2[C@@H](C)O)cc1 2356369152 CONHYIDUBDKEJH-GFCCVEGCSA-N 353.378 2.729 0 1 FFAF COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc2c1OCO2 115731837 PJJMNCPXFJRIMQ-UHFFFAOYSA-N 370.365 2.526 0 1 FFAF Cc1nsc(-c2ccc(N3CCN(c4cccc(F)c4)CC3)nn2)n1 38153795 PQFLRSPEEGXPPY-UHFFFAOYSA-N 356.430 2.769 0 1 FFAF CC(C)CN1CCc2nc(N3CCN(c4ccccc4)CC3)ncc2C1 71928116 CUNANPGORRDOEB-UHFFFAOYSA-N 351.498 2.817 0 1 FFAF NC1CCN(c2nc(-c3ccnc4[nH]ccc34)cnc2N2CCCC2)CC1 45356125 PCXZUHDSZDJCNG-UHFFFAOYSA-N 363.469 2.548 0 1 FFAF O=C(c1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143448348 GWKYCYMGYPEXAP-SFHVURJKSA-N 363.335 2.803 0 1 FFAF COc1cc2c(c(O)c1C(=O)CCc1ccc(O)cc1)C[C@H](C(C)(C)O)O2 95586113 BFMJOSISVDMGFC-GOSISDBHSA-N 372.417 2.996 0 1 FFAF COc1cccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1 95592237 CLXRPRPXESZNAC-JKSUJKDBSA-N 353.422 2.561 0 1 FFAF COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O)ccc1OCc1ccccc1 96927462 VDSXVQGCVJHTKK-GOSISDBHSA-N 368.389 2.987 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=C[C@@H]1O[C@@H]1[C@H]32 238778813 DHKHOBTXWBNDOQ-XEIJLMOSSA-N 356.374 2.551 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448388 ITMHSCJZGJWXRR-KSSFIOAISA-N 359.403 2.555 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(C)n1)[C@@H](C2)C3=O 587427568 DRMXYQYUJJPUJT-VBKZILBWSA-N 352.390 2.934 0 1 FFAF CN(Cc1nc2c(F)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169999 MCECXMOXMIXOHX-UHFFFAOYSA-N 372.784 2.710 0 1 FFAF COc1ccc2c(c1)OCC[C@H]2[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963473266 SNMISERFLDSARU-OXFYSEKESA-N 369.417 2.916 0 1 FFAF CC[C@@]1(CC(=O)c2cccnc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963525451 MMGXYXYHKCFXHY-JXFKEZNVSA-N 354.406 2.573 0 1 FFAF CCn1nccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697110 LBDAIJUKCFXCQR-CZUORRHYSA-N 371.334 2.923 0 1 FFAF C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nnn2cnc3[nH]ccc3c12 1772596108 IVFATVRABARRFI-WCQYABFASA-N 356.430 2.966 0 1 FFAF CC(=O)N(C)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772571936 DVHRMIHPFZGCNV-LLVKDONJSA-N 352.398 2.823 0 1 FFAF CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(C(=O)OC)cc2)C1 12225231 JLCSYEGSHHPTKD-FQEVSTJZSA-N 363.454 2.655 0 1 FFAF CCCn1cnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)c1 13863002 CAOLWEYKTUSPPC-UHFFFAOYSA-N 353.209 2.721 0 1 FFAF CSCCc1n[nH]c2c1CN(C(=O)Cc1sc(C)nc1C)CC2 19789527 JHGKTPFGWUCVBW-UHFFFAOYSA-N 350.513 2.516 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1ncnn1 169213612 RCYPNJYDIWTRQK-UKSSEWCLSA-N 353.470 2.813 0 1 FFAF C=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 1857592179 SOXPERSPXCYAKB-UHFFFAOYSA-N 362.407 2.629 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccccc2)C1 767180 ALCHWCWPKGFQHT-YWZLYKJASA-N 373.453 2.553 0 1 FFAF CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 3895564 PEKCMECYPPYYMG-KKXDTOCCSA-N 370.474 2.954 0 1 FFAF Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 4903204 PVOGWTZROONFLE-PXNSSMCTSA-N 364.445 2.987 0 3 FFAF CC[C@@H](CC(=O)NCC[C@@H]1CCNC1)n1c(N)nc2cc(Cl)ccc21 58583196 SHGRFCHQDXOVIT-JSGCOSHPSA-N 363.893 2.729 0 1 FFAF COc1cc([C@H]2CN=C(c3ccc4cncn4c3)O2)cc(OC)c1OC 27524656 XFGBQAXOJWXMCK-QGZVFWFLSA-N 353.378 2.878 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@@H]2O)CCN[C@@H]13 28368938 JRMOEWHIBBNYTF-RNYDRNSESA-N 354.450 2.507 0 1 FFAF COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 29126838 YAEJSSQGTYFDJH-OBMJPTGESA-N 368.389 2.797 0 1 FFAF COc1ccc2[nH]c([S@@](=O)Cc3nccc(N(C)C)c3Cl)nc2c1 26144425 BHDTYAWLJKYGDD-XMMPIXPASA-N 364.858 2.994 0 1 FFAF O=C(Nc1cc(Cl)ccc1O[C@@H]1CC[C@@H](O)C1)c1cnn2cccnc12 113654306 WTUNZCQRKFMUHJ-CHWSQXEVSA-N 372.812 2.927 0 1 FFAF CC(C)(C(=O)NCc1ccco1)n1cc(-c2ccc3c(c2)OCCO3)cn1 74387627 BTNOPTMCMKKOET-UHFFFAOYSA-N 367.405 2.966 0 3 FFAF Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1[C@@H](C)C(N)=O 211028995 JRSJILWBSZUJGY-CQSZACIVSA-N 364.453 2.636 0 1 FFAF CC/C=C/C[C@@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O 33954019 OYPPJMLKAYYWHH-OOBDTGDHSA-N 368.470 2.545 0 1 FFAF in-man CCNC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210742498 AMZNLKMGGXSAGO-LLVKDONJSA-N 367.413 2.982 0 1 FFAF COc1cccc(C2=N[C@](C)(CC(=O)NCc3ccccc3F)ON2C)c1 74374468 DDGIVILSNLLCJI-FQEVSTJZSA-N 371.412 2.881 0 3 FFAF CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C 82070025 DNVOEXMUFBPZCF-INIZCTEOSA-N 369.531 2.783 0 1 FFAF COc1ccc(C[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@@H]2O)cc1OC 86043724 FDXPFHFRXMBVEU-ZOCZFRKYSA-N 372.417 2.799 0 1 FFAF endogenous,in-man O=C(N[C@H](c1ccccn1)C1CC(O)C1)c1cc(-c2ccsc2)n[nH]1 230609793 DXCCMJCNMJNMKW-FVKWTLKZSA-N 354.435 2.775 0 1 FFAF COc1ccc2[nH]c([C@@H]3CCN(S(=O)(=O)c4ccccc4)C3)nc2c1 51048174 MMZWZGUEBOAXRL-CYBMUJFWSA-N 357.435 2.750 0 1 FFAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 587790487 CZCUFOGULJJUFI-NZFNHWASSA-N 368.206 2.807 0 1 FFAF CCN1N=C(C(=O)O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587393156 CMQYICNBGXOKJX-FQEVSTJZSA-N 365.389 2.718 0 1 FFAF COc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1=O 587588995 SSUNTBYJOZXXHG-PXNSSMCTSA-N 365.341 2.792 0 1 FFAF N=c1[nH]cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc-2[nH]1 586961300 UKAJSPAFAPWION-AREMUKBSSA-N 363.446 2.755 0 1 FFAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587068739 COGFUISZWOGVCH-LLVKDONJSA-N 356.813 2.832 0 1 FFAF Nc1cccc(O)c1-c1nc2cc(I)cnc2[nH]1 587249773 JHVXBQVWVQVNFY-UHFFFAOYSA-N 352.135 2.517 0 1 FFAF NS(=O)(=O)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036672 JDJMKLIBJPKRCY-CYBMUJFWSA-N 351.478 2.651 0 1 FFAF O=C(c1ccc2nonc2c1)c1c(CO)oc2cc(Br)cnc12 587275504 CGJBYVAHMIWMTB-UHFFFAOYSA-N 374.150 2.850 0 1 FFAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(S(=O)(=O)C(F)F)cc1 963069409 MIGPNRGGXNCKNW-KRWDZBQOSA-N 352.406 2.796 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@]3(CCN(c4ccc(F)cc4)C3)c3cccc1c32 963020270 FAMFYKHPUGYTEC-SPLOXXLWSA-N 351.425 2.985 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H](O)C(C)C)ncc12 1772579673 ZLVGVXSUBMGOAD-SJORKVTESA-N 369.425 2.846 0 1 FFAF COc1ccccc1CCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1 203475256 KUJNYAIYTWCUHQ-UHFFFAOYSA-N 368.481 2.677 0 3 FFAF CC(C)c1cc(C(=O)N2CCC(O)(c3cc4ncccc4[nH]3)CC2)on1 1857577840 DDWCQAGHWSKDLV-UHFFFAOYSA-N 354.410 2.798 0 1 FFAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nccs1 1482432 NACAADVHQHZGOW-ZDUSSCGKSA-N 363.464 2.552 0 1 FFAF CC(C)[C@@]12CC[C@]3(O1)[C@](O)(CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C)[C@@H]2O 2356332460 FUMZEAQEADDMAG-JNBRIIMSSA-N 352.471 2.727 0 1 FFAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1 4393146 CHPKUAHVBYHZKC-KRWDZBQOSA-N 358.482 2.732 0 1 FFAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@H](O)CO)[C@@]3(C)CC(=O)[C@@H]12 118913125 NGYONPIMXAHRCT-GYWHJDSHSA-N 350.499 2.538 0 1 FFAF in-vitro CC1=C(N)N(CC(=O)c2ccc(I)cc2)[CH]C=C1 2356838297 WQWXCOXXOPJXAV-UHFFFAOYSA-N 353.183 2.698 0 1 FFAF NC(=O)c1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 221471240 SHHADIPWMCKJSS-UHFFFAOYSA-N 373.416 2.741 0 1 FFAF O=C1N[C@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 195513676 SFZWSXJPRKAORB-INDMIFKZSA-N 367.401 2.970 0 1 FFAF Cc1cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)no1 144150049 KTDHWPDLIPAPAG-UHFFFAOYSA-N 364.453 2.823 0 1 FFAF N=C(N)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148706 KHLHPCYBXGSTCN-GFCCVEGCSA-N 369.375 2.641 0 1 FFAF Fc1ncc(Br)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587178141 RQEJXRYLJULZPC-UHFFFAOYSA-N 360.150 2.502 0 1 FFAF COc1cc(C(C)=O)c(OC)n1-c1cc(C(=O)O)ncc1Br 587942303 VPZIAYRBOIUWMO-UHFFFAOYSA-N 369.171 2.553 0 1 FFAF Cc1c(Cl)ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586957576 BUUKMXLELPIPJE-MRXNPFEDSA-N 365.842 2.994 0 1 FFAF CCOC(=O)[C@]1(c2cc(F)cc(F)c2)NCCc2c1c(C(C)C)nn2C 962920312 RMJSOCRFXLTQPG-LJQANCHMSA-N 363.408 2.774 0 1 FFAF Cc1cn(C)nc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691301 CCGWBPGUBJLMBA-OCCSQVGLSA-N 357.307 2.575 0 1 FFAF Cc1c[nH]c(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1 12447208 KASKKXHHFNIFMZ-HXUWFJFHSA-N 356.445 2.872 0 1 FFAF Cc1nc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)sc1C 13916748 RTOJYNJWSUUREU-QGZVFWFLSA-N 356.495 2.757 0 1 FFAF C[C@H]1C[C@H](C)[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](O)C1 17188100 JPYMPXICULCYPW-RZMIDITASA-N 359.466 2.750 0 1 FFAF O=C1Nc2ccccc2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857601663 CDZVLUPXXHOPPI-UHFFFAOYSA-N 350.422 2.551 0 1 FFAF CCOC[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 206209812 VCXXAUHBGRFKPD-MRXNPFEDSA-N 356.470 2.719 0 1 FFAF CN(C)[C@@H](CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cn(C)c2ccccc12 4082915 NSLSUEQHSJDZJE-BXWFABGCSA-N 351.450 2.732 0 1 FFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCC1CC1 2356287115 CLKDDOJGSFAXNU-GGPKGHCWSA-N 360.429 2.931 0 1 FFAF CC(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@H]1C 2356674655 PWSFKAFOGDABJH-JYXTYLIXSA-N 350.411 2.847 0 1 FFAF CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273306 WKAHNIDYDJZSBO-SMDDNHRTSA-N 352.822 2.701 0 1 FFAF C#CCN(c1ccc(C#N)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143202019 IKPLTURZWKJFSO-OAHLLOKOSA-N 360.396 2.687 0 1 FFAF CN(C)c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565694 QVGZBSUFDMGUMX-UHFFFAOYSA-N 373.766 2.672 0 1 FFAF O=C(N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283280 QOUWYJJHAXVSLC-MFCSDITOSA-N 352.482 2.588 0 1 FFAF C/C=C1/CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC 238771253 YNZQTHCMRFWODK-MCBBHXORSA-N 368.477 2.595 0 1 FFAF CCCCNC(=O)c1cnc(NCCCC)nc1N[C@H]1CC[C@H](O)CC1 261176706 VAWPQSJYRPQHIP-SHTZXODSSA-N 363.506 2.934 0 1 FFAF CNC(=O)[C@@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 473137228 XABFBMUAEKKTJT-INIZCTEOSA-N 362.788 2.562 0 1 FFAF CCOC(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 587225377 QGKHTFJBSVDJPD-CYBMUJFWSA-N 367.405 2.823 0 1 FFAF O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587593236 IMGSUGWHIFGLQT-VXJLSDCPSA-N 365.385 2.639 0 1 FFAF COC(=O)c1ccc2nc(CCCc3ccc(OC)cc3OC)[nH]c2n1 587929621 ZCXLLWGVHJLCQN-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF COc1cncc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149169 MHYHCHDUOPPDMB-LLVKDONJSA-N 358.348 2.761 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775262 QGLMMINBFOPVKD-DAZKTRTLSA-N 368.206 2.721 0 1 FFAF COc1ccc(-c2cnnc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587653240 UDWNVYZNGWYSBA-UHFFFAOYSA-N 365.780 2.900 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)[C@H](C)C2=O)N1 587760902 MWLQORFPPCXRJZ-XIZWVBILSA-N 353.235 2.734 0 1 FFAF COc1cc2c(cc1O)NC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)C2 1772630616 HZUNXRGXNIKBMK-UHFFFAOYSA-N 374.393 2.974 0 1 FFAF CC(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169186861 GJFCCGNALMSJGQ-CYBMUJFWSA-N 350.426 2.689 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1CN1Cc1cnc2ccccc2c1 169328808 KVFXBBSEFMIRDB-BXWDTWGJSA-N 361.232 2.983 0 1 FFAF COCCOCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167212867 MLAIFPJCLKMNBN-UHFFFAOYSA-N 369.421 2.836 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 101472755 HQKOAEHQZLLCRE-NJPIHQLLSA-N 367.449 2.610 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N[C@H]3CCCc4ccccc43)c2C)n1 1857600837 BQXUPAUXQMSWQC-KRWDZBQOSA-N 363.421 2.792 0 1 FFAF Cc1c2cnn(CC(=O)NC(C)(C)C)c(=O)c2c(C)n1Cc1ccccc1 6807867 STZMONLEFLPTOD-UHFFFAOYSA-N 366.465 2.778 0 1 FFAF COCCN(CCOC)C(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1 8584284 XAKVUEHSFOCGJF-UHFFFAOYSA-N 367.449 2.889 0 1 FFAF COc1ccc(CCNC[C@@H](O)C2=COc3ccccc3O2)cc1OC 28095629 IVPKTYYMHHZYTH-OAHLLOKOSA-N 357.406 2.510 0 1 FFAF O=C(Nc1nnc(C(F)(F)F)s1)N1CC[C@@](O)(c2ccccc2)C1 20775532 PYVDRCSGZKUSAR-ZDUSSCGKSA-N 358.345 2.682 0 1 FFAF CC(=O)O[C@@H]1CC=C(C)[C@H](OC(C)=O)C[C@@H]2[C@H](C=C1C)OC(=O)[C@@H]2C 2356544862 GOGQNNWYPKCAMI-WRJYRGCMSA-N 350.411 2.714 0 1 FFAF C[C@@H]1C[C@]2(C)CC(C(=O)O)=CCC[C@@H]2[C@@]1(CO)CCC(=CCO)CO 2356593402 JCWINCIZDNXUMA-IXMYUCAJSA-N 352.471 2.514 0 1 FFAF CC(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1Br 61908903 XBKTYYADCRZGPN-MRXNPFEDSA-N 353.260 2.968 0 3 FFAF O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(F)cc1 40465123 RJPAZWDGQKZNNL-CTNGQTDRSA-N 355.409 2.699 0 1 FFAF CCCCNc1nc(N2CCC(O)CC2)nc2cc(OC)c(OC)cc12 82129200 YUSUJNWTWNEJKI-UHFFFAOYSA-N 360.458 2.820 0 1 FFAF C[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1 96167833 GBNYFNIWEOUHPN-VIFPVBQESA-N 365.376 2.518 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F 261141657 NEYKVBZVQYCLPF-VYUIOLGVSA-N 361.822 2.736 0 1 FFAF C[C@H](Cn1cncn1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923921 SBHUJKFMLWGBLH-LLVKDONJSA-N 363.468 2.577 0 1 FFAF Oc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587112683 LTOODTKYFFCBHZ-UHFFFAOYSA-N 360.299 2.989 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(N(C)C)n1 587867777 AMLOPMNUHAWURE-UHFFFAOYSA-N 364.331 2.818 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C(=O)C(=O)OCC)CC2=O 587479439 IISCSZXRMLYIKB-XOBRGWDASA-N 360.406 2.981 0 1 FFAF Cc1cc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c(C)n1 586925091 FUWQSICFYRDXOZ-UHFFFAOYSA-N 357.435 2.794 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@]3(CCN(c4ccc(F)cc4)C3)c3cccc1c32 963020271 FAMFYKHPUGYTEC-SZNDQCEHSA-N 351.425 2.985 0 1 FFAF N[C@@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1 13588773 CCVLFWJUTCIGQQ-MRXNPFEDSA-N 372.428 2.850 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@H](C)[C@H]21 15058648 OHMAVTDVTQMMMR-TVFXUZGJSA-N 350.411 2.714 0 1 FFAF endogenous,in-man C[C@H]1C[C@@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 169727706 UKVAEISSAVZLLZ-LRDDRELGSA-N 363.421 2.928 0 1 FFAF Nc1c(C(=O)Nc2ccc(C(=O)NC3CC3)s2)cnn1-c1ccccc1 1857596468 KOKSNHGTFSNKEL-UHFFFAOYSA-N 367.434 2.661 0 1 FFAF C[C@@]1(C(=O)NC[C@@H](O)c2ccccc2)CON=C1c1cccc(Cl)c1 772718 GUQIPQUQNMLHQN-VQIMIIECSA-N 358.825 2.930 0 1 FFAF Cn1cc(CNC[C@@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cn1 2356299248 CNBJYXOAKBMYPS-MRXNPFEDSA-N 357.845 2.626 0 1 FFAF COc1ccccc1C(=O)NC[C@@H]1Cn2c(-c3ccccc3)cnc2CO1 2356299547 KSUUUYLUISKHGW-MRXNPFEDSA-N 363.417 2.888 0 1 FFAF CCC[C@@H]1C[C@@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@H]2O1 2356336041 GYPXYJUUIBLXBA-RIEGTJTDSA-N 350.367 2.798 0 1 FFAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356402746 PJMSRJYOTNDEEP-LASMHQOLSA-N 350.499 2.537 0 1 FFAF COc1ccc2c(c1)C=C(CN1CCN(C3CCCC3)[C@@H](CCO)C1)CO2 20234791 GGSLKSRWHHCRLE-FQEVSTJZSA-N 372.509 2.782 0 3 FFAF C[C@H]1CCc2nc(S[C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)nc(C(F)(F)F)c2C1 101078374 HNXFHWAPCAKKHP-LWZBDFBTSA-N 374.384 2.795 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2 2356457877 DJANQNNGVQFNMT-NIMBFUQJSA-N 350.455 2.798 0 1 FFAF CN(CCc1ccccc1)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 28526317 VMUZNENHJXEESW-FQEVSTJZSA-N 363.461 2.550 0 1 FFAF CCCOC(=O)CCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66076573 BNXRYYVEKGZYHV-UHFFFAOYSA-N 360.863 2.987 0 1 FFAF CO[C@]12C[C@@H]3[C@H](C[C@H](O)[C@]4(O)C(C)(C)CCC[C@@]34C)[C@@H](C)C1=CC(=O)O2 2356426864 JNDRQMIRNBREKL-JOUCYRGUSA-N 364.482 2.797 0 1 FFAF CN(C)C[C@@H](O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28382537 JMXUDDPDPZDQBK-GFCCVEGCSA-N 367.877 2.936 0 1 FFAF CC1=CCC[C@](C)(O)[C@H](O)C[C@H]2CC[C@@](C)(OC(=O)[C@@H]2C)[C@H](O)CC1 2356615655 JYRNLNBXLZDLIM-QHLWVNNFSA-N 354.487 2.718 0 1 FFAF CC[C@@]12CCCN(C1)C(=O)C(=O)[C@@H]1C(=C(C(=O)OC)C2)Nc2ccccc21 2356756587 RPYIECDRRGSQMN-KKSFZXQISA-N 368.433 2.614 0 1 FFAF CC(C)CN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO 263592044 YWDNLGFCXNTJRO-LJQANCHMSA-N 370.497 2.794 0 3 FFAF COC(=O)C1=CNC=C([C@@H](C)O)[C@H]1Cc1nccc2c1[nH]c1ccccc12 86020426 LRVNKWMVNDXIIY-IUODEOHRSA-N 363.417 2.800 0 1 FFAF biogenic O=C(CCn1cc(-c2c[nH]c3ncccc23)nn1)c1c[nH]c2ncccc12 653784835 DXYKCEZXJRYHBE-UHFFFAOYSA-N 357.377 2.971 0 1 FFAF O=C(Cc1cc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658892 WAUSRGDJJXUUKI-UHFFFAOYSA-N 366.327 2.948 0 1 FFAF Cn1ncc(Cl)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587275976 IDAGMXSXLSCKAF-UHFFFAOYSA-N 370.590 2.701 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587449429 JPSJACFNTBWXET-FEKGSYAUSA-N 370.401 2.661 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)ncc2[nH]1 587094734 UQVQBVJJHGMVSE-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF C[C@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596270 QHCPVXCUTFAVFJ-DNVCBOLYSA-N 366.329 2.691 0 1 FFAF CCN1CC[C@@]2(CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767238 JHDYAJHMACWZPB-QFYYESIMSA-N 355.251 2.960 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587424763 UMFDVWKUHVXCQA-KPZWWZAWSA-N 362.378 2.727 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@]3(CCC(=O)O)c1cccnc1 963040325 WCUVIJQCYFYJJR-OAQYLSRUSA-N 363.417 2.893 0 1 FFAF CC(C)c1nn(C)c2c1[C@H](c1cccc3c1CCC31OCCO1)NCC2 962918216 NPXZBOBHZIUMKG-FQEVSTJZSA-N 353.466 2.924 0 1 FFAF CC(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12456749 ZJWMKAFWNVNDQF-OAHLLOKOSA-N 373.428 2.992 0 3 FFAF Cc1nc(C2(NC(=O)c3cnc(C4CC4)c(OCC4CC4)n3)CCC2)no1 207345136 BLCQCFSLZDMXMV-UHFFFAOYSA-N 369.425 2.643 0 1 FFAF O=c1nc(C(F)(F)F)ccn1C[C@@H]1C[N@]1Cc1cnc2ccccc2c1 1857742850 OCIXRDJANHBWSZ-PWECECGKSA-N 360.339 2.695 0 1 FFAF C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 768758 RLBFVBUAFZKKKZ-FXAWDEMLSA-N 372.852 2.800 0 1 FFAF CCN1CCN(CC(=O)N2CCC[C@H](CCc3ccccc3C)C2)CC1 20167869 XXSYTWNGCLAEQA-HXUWFJFHSA-N 357.542 2.804 0 1 FFAF COc1ccc2[nH]c([S@](=O)Cc3cc(N(C)C)c(Cl)cn3)nc2c1 26149935 PKDHWDASLUCPMI-DEOSSOPVSA-N 364.858 2.994 0 1 FFAF CC[C@@H](C)Cc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 29038998 DGYBDPIIHYQKMR-SECBINFHSA-N 362.377 2.673 0 1 FFAF CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3c2CCCC3)CC1 22931063 BMMQHMBKVRPTTF-UHFFFAOYSA-N 366.509 2.836 0 1 FFAF O=C1C[C@H](O)[C@@]2(Oc3cccc4c(O)ccc(c34)O2)c2c(O)ccc(O)c21 2356721622 KGZLWNLQQVXESZ-JXFKEZNVSA-N 366.325 2.528 0 1 FFAF O=c1cc(-c2cnc([C@@H](O)CCCCCCc3ccccc3)o2)[nH]c(=O)[nH]1 36079972 OBGMHOHWGOKZNW-INIZCTEOSA-N 369.421 2.945 0 1 FFAF CSc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1 38149994 QZGWOPNJRPKEEM-UHFFFAOYSA-N 357.479 2.860 0 1 FFAF O=C(O)c1ccccc1[C@@H]1SC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1 71317680 LYQBVIOEFCSPHI-RDJZCZTQSA-N 371.414 2.655 0 1 FFAF COc1ccc2c(CS(=O)(=O)c3nc4ccccc4o3)cc(=O)oc2c1 84758539 GFVFVHYLSBPIEZ-UHFFFAOYSA-N 371.370 2.917 0 1 FFAF Cc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@@H]2CCCC[C@@H]2O)CC1 95564686 MFKCGXDCHAFQQZ-MOPGFXCFSA-N 373.541 2.942 0 1 FFAF in-man CC(=O)O[C@H]1C2=C(C(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O 238775127 ZRLPTLKSJBPDJA-CYJAXWMASA-N 350.411 2.549 0 1 FFAF CC(C)=CCC/C(C)=C/CNCC(=O)N[C@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 254124504 IUZFKESOXYUGNF-QUVXAJIFSA-N 368.521 2.868 0 1 FFAF Cn1ncc(NC(=O)c2ccccc2)c1N1CC[C@@](C)(N)CC(F)(F)C1 473136378 QNBRZVFOXIKWRQ-QGZVFWFLSA-N 363.412 2.625 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587447551 BYDAZPSKRBHCMH-KXBFYZLASA-N 358.415 2.762 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COC1CCOCC1 587612464 UVYCSCUALXAMIY-MSOLQXFVSA-N 356.374 2.918 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596413 OLWYSMWCQQGKPQ-LTGQISBOSA-N 354.358 2.922 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNc3[nH]cnc32)N1 587802154 KGHIPIAXSYUFPR-VXJOIVPMSA-N 364.222 2.543 0 1 FFAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@](O)(c1nccn1C)C(F)(F)F 587638554 ZUEAIILCRGUOTB-HNNXBMFYSA-N 353.300 2.706 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2ccc(Br)nc2[nH]1 587228900 TVUUONFOYIIEIQ-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF O=C(N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)C(=O)O)OCc1ccccc1 587203381 OVIUKGQMDFGMPY-GFCCVEGCSA-N 374.784 2.533 0 1 FFAF CCN(CC)CCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 142372364 HMYHDHAYVFJEFQ-UHFFFAOYSA-N 351.454 2.707 0 1 FFAF COc1cccc2c(C(=O)NCc3cccc(C4CCC4)n3)nc(N)nc12 1772605096 GJNGFJWIAZMTNC-UHFFFAOYSA-N 363.421 2.813 0 1 FFAF NC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 13656462 UPEIICJDVPMDME-SWLSCSKDSA-N 359.344 2.694 0 3 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3COC3)c2cn1)c1ccccc1 209396702 GADGNWMLHILEQL-LLVKDONJSA-N 353.382 2.618 0 1 FFAF CS(=O)(=O)c1nc(-c2cc(Cl)cnc2OC2CCCCC2)n[nH]1 1857751783 BBNDMFPEWPUBRE-UHFFFAOYSA-N 356.835 2.635 0 1 FFAF CSCC[C@@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 6425197 MSLUEPNVDDGZPD-QGZVFWFLSA-N 371.458 2.783 0 1 FFAF C/C=C/C1=Cc2ccccc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 8682198 KIFSNTZKPAYVOZ-CDVVCGDMSA-N 359.378 2.689 0 1 FFAF CC1(C)C[C@H]1C(=O)N/C(=C\CCCSc1ncccc1O)C(=O)O 26020926 OYQQOAPDCGGIRP-RMCZBGCRSA-N 350.440 2.790 0 1 FFAF Nc1ccccc1NC(=O)c1ccc(N2CCN3CCCC[C@@H]3C2)nc1 28824518 AHCWVEIHIWKIES-MRXNPFEDSA-N 351.454 2.591 0 1 FFAF CCC(=O)C[C@@H]1C(C)(C)CCC[C@]1(C)[C@]1(O)CC[C@@](C)([C@H](O)CO)O1 2356331736 OJZVKDPZYTWJHP-CJGGRQNCSA-N 356.503 2.799 0 1 FFAF CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccn2)c1 29050549 SCAVBVPGSXYUND-UHFFFAOYSA-N 359.393 2.622 0 1 FFAF C/C(=C(/C)c1nc2cc(C(=N)N)ccc2[nH]1)c1nc2cc(C(=N)N)ccc2[nH]1 29467000 HRPYHSLZGNRNBS-MDZDMXLPSA-N 372.436 2.958 0 1 FFAF COc1ccc(Cc2c(Cc3ccc(OC)c(O)c3)n(C)c(=N)n2C)cc1 14611955 BHDJFTZFEZMCON-UHFFFAOYSA-N 367.449 2.747 0 1 FFAF biogenic COc1ccc2c(c1OC)-c1cc3c(cc1C[C@@H]1COC(=O)[C@@H]1C2)OCO3 14715058 NFJJJWVGDBCSKG-UKRRQHHQSA-N 368.385 2.987 0 1 FFAF biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2c(ccc3occc32)c1=O 71332294 VSMHHFILGGWROI-OAHLLOKOSA-N 368.345 2.730 0 1 FFAF COc1cc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)cc1NC(C)=O 73273602 PTFAPRDGLWOAMV-UHFFFAOYSA-N 368.386 2.602 0 1 FFAF CC(C)=CCC/C(C)=C\CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O 40861317 QUPQPFMDZTULIE-XIEDVDOYSA-N 364.331 2.527 0 1 FFAF O=C(c1cnc(NCc2ccccc2)nc1-c1ccco1)N1CCOCC1 82142227 DPQDPHWIWLDPFK-UHFFFAOYSA-N 364.405 2.821 0 1 FFAF CCCCCCCCCCCCNC(=O)[C@H]1CCN1C(=O)[C@H]1CCN1 148518069 KSHMXPLRJFLYJK-QZTJIDSGSA-N 351.535 2.986 0 1 FFAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cnccn2)C1)c1cccc(Cl)c1 95592343 WMELHJIVTWHZAR-GJZGRUSLSA-N 358.829 2.601 0 1 FFAF Cc1cc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc(Cl)c1C#N 149033249 HYZZDPGONQMQRP-GFCCVEGCSA-N 367.844 2.902 0 1 FFAF C=CC(=O)NCCCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 621485629 CEPJPUPTXPEHIC-UHFFFAOYSA-N 360.360 2.760 0 1 FFAF COc1cccc(CN2CCC3(CC2)CCN(C(=O)[C@H]2CCCO2)C3)c1 299843168 NPZKMBYOFZSLJP-LJQANCHMSA-N 358.482 2.689 0 1 FFAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCO)c2=O)CC1 299840987 XELUMSNYGOKMID-UHFFFAOYSA-N 371.481 2.868 0 1 FFAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1OC 587599520 GJHQSDCKYBMYFC-LPWQTFTOSA-N 356.374 2.916 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587232320 WQTQTSWQDCWXBW-UONOGXRCSA-N 373.453 2.761 0 1 FFAF NS(=O)(=O)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036673 JDJMKLIBJPKRCY-ZDUSSCGKSA-N 351.478 2.651 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587428072 MZSRDVBFJLSUGD-RNODOKPDSA-N 368.316 2.838 0 1 FFAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1 587019818 WZCMSAKLVDQVSL-UHFFFAOYSA-N 367.394 2.750 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)C(=O)O)n1C)O2 587380435 FDJUEASYAYYYRY-QGZVFWFLSA-N 364.348 2.973 0 1 FFAF NC(=O)c1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041769 FEUQQDWPRMQYNC-CYBMUJFWSA-N 372.837 2.971 0 1 FFAF CCn1cc(NC(=O)CCc2nc(-c3ccc(O)cc3)no2)c(C(=O)O)c1 116537963 VHZWNKNUKPIZDA-UHFFFAOYSA-N 370.365 2.533 0 1 FFAF COc1ccc([C@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 1772597259 YIOSTDZDYFFVHN-TUGWUVRDSA-N 364.438 2.621 0 1 FFAF Cc1ncc(CN2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 12308874 BNLNQXUTNFEDLB-OAQYLSRUSA-N 351.498 2.914 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@@H]2O)CCN[C@H]13 13385696 JRMOEWHIBBNYTF-BTKKNVJRSA-N 354.450 2.507 0 1 FFAF COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)O)(C2)[C@H]13 13522289 UJXMSPIANCHPAO-PZXGUROGSA-N 354.450 2.793 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@H]1C 13827427 KHLAUUIEUCVQRV-IFXJQAMLSA-N 359.422 2.901 0 1 FFAF Cn1ncc2c(=O)n(-c3cccnc3)c(SCc3cccc(F)c3)nc21 1857640452 PDPPOKCFTQHJIM-UHFFFAOYSA-N 367.409 2.946 0 1 FFAF C[C@@H]1C[C@@H](C)CN(C(=O)CCCn2ncn3c(cc4occc43)c2=O)C1 6807594 YSEQOSOXEAWEBV-ZIAGYGMSSA-N 356.426 2.527 0 1 FFAF CNC(=O)N1C[C@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 28012752 WDXVXBAWJUECKW-NSHDSACASA-N 352.394 2.508 0 1 FFAF COC(=O)[C@H](CCSC)NC(=O)c1cc2c3ccccc3nc-2c[nH]1 101969746 QODLLXCQQIJDTE-AWEZNQCLSA-N 357.435 2.692 0 1 FFAF C[C@@H]1[C@H]2C[C@@]34CO[C@H](O2)[C@@]1(C[C@H](O)c1ccoc1)[C@H]3CCC=C4C(=O)O 2356437966 NQGDTWVXUYEVGZ-HUKGDOPXSA-N 360.406 2.892 0 1 FFAF COc1cc2nc3occc3c(OC)c2cc1OCC[C@@H](O)C(C)(C)O 2356585917 GEWLVOSOCFBDLR-MRXNPFEDSA-N 361.394 2.899 0 1 FFAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 74377096 JXBDDXLVBQQGOX-IAGOWNOFSA-N 356.447 2.727 0 3 FFAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@H](C)c1ccc(F)cc1 82203709 IKMYPQXCMVVAPK-CYBMUJFWSA-N 357.433 2.799 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC)N2 82213051 SHJYPPJBLIEIOD-INIZCTEOSA-N 371.485 2.506 0 1 FFAF O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3ccnc(C4CC4)c3CCN12 149105996 MYSJBIKZGQCWQA-UHFFFAOYSA-N 369.375 2.779 0 1 FFAF Cn1cc(-c2ccc3n[nH]c(Sc4ccc5ncccc5c4)[n+]3n2)cn1 141108751 BCZUAADEACICHN-UHFFFAOYSA-O 360.426 2.643 0 1 FFAF in-vivo COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@@H]2CO)ccc1O 238785815 FHYQIQMSODIFCP-IMDSBXMSSA-N 372.373 2.717 0 1 FFAF O=C([C@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCCO1 299843567 UFXFZPYOIPABGK-GBESFXJTSA-N 362.445 2.607 0 1 FFAF N=c1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c[nH]1 587659833 FLZOHSOMZWWALQ-UHFFFAOYSA-N 360.348 2.699 0 1 FFAF NCCOCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587245513 UXRKRBVIKQLUNC-UHFFFAOYSA-N 354.126 2.699 0 1 FFAF CN1CCN(c2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)CC1 587154002 ITXYVRGSJKNSRL-HRAATJIYSA-N 365.456 2.795 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 587116676 BDIGUHKZNDLOKS-UHFFFAOYSA-N 358.345 2.776 0 1 FFAF COc1cncc(N)c1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 587253019 XWWFYCSRSZBGBK-UHFFFAOYSA-N 363.171 2.676 0 1 FFAF CCOC(OCC)C(=O)C[C@]1(C)NCCc2cc3cccc(OC)c3nc21 963036946 QCPWCQACQPZSAS-NRFANRHFSA-N 372.465 2.963 0 1 FFAF CCOC(=O)[C@@]1(c2c(C)cccc2C)N[C@H](C(=O)O)Cc2cccc(F)c21 962905234 ZBICBEBVDGLYKR-KKSFZXQISA-N 371.408 2.848 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@](C)(c3ccc(-n4ccnn4)cc3)c3cccc1c32 963026096 NFZNAKPLMKPAHU-SPLOXXLWSA-N 359.433 2.584 0 1 FFAF O=C1COc2ccccc2N1Cc1cn(Cc2ccc(Cl)cc2)nn1 1772647237 RVJGFNYYZPGCEL-UHFFFAOYSA-N 354.797 2.905 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 1772647887 CAILAZMVJTUMIE-CYBMUJFWSA-N 366.425 2.677 0 1 FFAF O=C(NCc1cc2ccccc2s1)c1cc(CN2CCC[C@@H](O)C2)on1 12056119 BQOVGJWMMJMGCF-CQSZACIVSA-N 371.462 2.776 0 1 FFAF Fc1cccc(-n2cc(NCCN3CCN(C4CCCCC4)CC3)nn2)c1 209669681 JOCJKGKYYAFPNY-UHFFFAOYSA-N 372.492 2.769 0 1 FFAF CCn1cc(-c2nc(NC(=O)c3ccccc3)n[nH]2)c(=O)c2ccc(C)nc21 1857612942 TWFQXXIKUFIUCO-UHFFFAOYSA-N 374.404 2.762 0 1 FFAF CC(=O)NCCCNc1cncc(-n2ncc3ccc(NC(C)C)cc32)n1 1857757183 DHSLBHAALNFVSZ-UHFFFAOYSA-N 367.457 2.574 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 770896 HMZKVCJGKRCXJV-IEBWSBKVSA-N 370.405 2.629 0 1 FFAF CC1(C)[C@H]2CC[C@](C)(O)[C@@H](CCC3=CC(=O)O[C@@H]3O)[C@@]2(C)CC[C@H]1O 2356411185 YGMAOOZMYPQPHU-BBPJHMRPSA-N 352.471 2.533 0 1 FFAF O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCC1=CCCCC1 3042025 GAKKFNAQMNWRAW-UHFFFAOYSA-N 370.449 2.630 0 1 FFAF COc1cc(O[C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O 59207320 OJVGWDJIYBTWDS-TUGJPZLJSA-N 372.373 2.869 0 1 FFAF in-vitro COc1ccc2[nH]c([S@@](=O)Cc3cc(N(C)C)c(Cl)cn3)nc2c1 26149929 PKDHWDASLUCPMI-XMMPIXPASA-N 364.858 2.994 0 1 FFAF Cn1cc(-c2cnn3c(NC(C)(C)C)cc([C@H]4CCCNC4)nc23)cn1 66105084 QOXFISGIIGUASU-ZDUSSCGKSA-N 353.474 2.807 0 1 FFAF CCOC(=O)CN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C1=O 26570839 CKDAXAPPJOLVCY-CABCVRRESA-N 374.437 2.620 0 1 FFAF COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2OC)ccc1O 2356655859 NOULHEAGJYQCHF-PKOBYXMFSA-N 356.330 2.992 0 1 FFAF COCCN1CNC(=O)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28566516 ANWNHTPZPKTJPB-PMACEKPBSA-N 371.525 2.583 0 1 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446684 LROJDEYJWCCVCX-BZUAXINKSA-N 372.471 2.673 0 1 FFAF Cc1ccccc1-n1cc(C2=CCN(CCN3CCOCC3)CC2)cn1 65403313 XPVGDLYRPAJBOZ-UHFFFAOYSA-N 352.482 2.602 0 1 FFAF C[C@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@@H]1O3 15203760 JDKOSPKTKADBCU-GKCIPKSASA-N 354.358 2.948 0 1 FFAF biogenic CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1ccccc1)cn2CCN(C)C 45287636 GXMUWMUQLNEQAS-UHFFFAOYSA-N 371.462 2.633 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@H]3C[C@H]12 238780143 PEYPCTZOXFDFFW-KZDZHFEISA-N 354.450 2.750 0 1 FFAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4ccccc43)cccc21 143482246 HWJXRZRYLKAWQG-OAHLLOKOSA-N 352.394 2.991 0 1 FFAF COc1cccc(CNC(=O)N(CCO)c2ccc(-c3cn[nH]c3)cc2)c1 95588389 NGAVHWOZWVFLIS-UHFFFAOYSA-N 366.421 2.794 0 1 FFAF COCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599731 ZNMUWRFAWACDKF-FXAWDEMLSA-N 372.373 2.692 0 1 FFAF COC(=O)Cc1c(-c2ccccc2N)[nH]c2ccc(S(C)(=O)=O)cc12 587650242 HSVJMZLPTCDXKW-UHFFFAOYSA-N 358.419 2.536 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=NN(CCC(=O)O)c3ccccc31)O2 587393889 NSORPQBFLZMRKW-HXUWFJFHSA-N 365.389 2.718 0 1 FFAF CN1CCN(c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)CC1 586887556 UYDMSYMJMMMZEA-OWCLPIDISA-N 350.466 2.954 0 1 FFAF O=C(O)[C@]1(c2ccc(Cl)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587368907 RIASIFBCUUYNEV-GOSISDBHSA-N 371.780 2.601 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC(C(=O)O)=C2)N1 587832344 JOPUWAPUYXZSBE-ANRSDYALSA-N 354.175 2.830 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(OCCN(C)C)cc2[nH]1 587094886 VOPZNUJDABCUOM-JTQLQIEISA-N 358.364 2.633 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncccc12 587592863 HWWVBTGKLLVJAS-QRWLVFNGSA-N 360.325 2.596 0 1 FFAF Fc1cnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 587111229 COYSFLUAVGTWHY-UHFFFAOYSA-N 363.278 2.818 0 1 FFAF O=C(CCc1nc2cccc(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024416 ZIHUIAPZNBIQKD-UHFFFAOYSA-N 366.406 2.753 0 1 FFAF Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 587649310 PJRQTFFPDJUBKA-UHFFFAOYSA-N 371.340 2.555 0 1 FFAF COC(=O)C[C@]1(c2cncnc2)c2ccsc2CCN1Cc1ccco1 962712003 RJYHMHGNKVNWJU-IBGZPJMESA-N 369.446 2.996 0 1 FFAF COc1ccc(C2([C@@H]3CC(=O)O[C@@H]3CO)SCCCS2)cc1OC 1772570899 PAOSXXLYQUCLTQ-IUODEOHRSA-N 370.492 2.651 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C[C@@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 5126451 GUAPJNKJZHLRHT-QAPCUYQASA-N 371.458 2.733 0 1 FFAF CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13116853 SFWQJLUQLRSSCF-FSDCSDTHSA-N 357.406 2.961 0 1 FFAF C[C@H](O)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662163 JMZJFYUZEADBKF-QPUJVOFHSA-N 369.309 2.646 0 3 FFAF CC(C)C(=O)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682561 KOALTMALKSJVNL-UHFFFAOYSA-N 373.293 2.980 0 1 FFAF O=C(Nc1cccc(N2CCOCC2)c1)n1sc2ccccc2c1=O 169311120 VRYGMTNRJQGMBD-UHFFFAOYSA-N 355.419 2.980 0 1 FFAF CCNC(=O)N1CCC[C@H](N2CCC(c3ncccc3OC)CC2)CC1 1857573616 KZOVGRHHJQWGNJ-KRWDZBQOSA-N 360.502 2.854 0 1 FFAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289668 XSMNXERXJGYSQR-PLACYPQZSA-N 367.493 2.576 0 1 FFAF CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC 100251625 XEGGZNIJBOUOJD-HOTGVXAUSA-N 372.425 2.950 0 1 FFAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3cn4ccccc4n3)cc2)S1 26825000 FMGLGZIWOLPVID-OAHLLOKOSA-N 353.403 2.807 0 1 FFAF CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305970 XABKFXJAZDZBDA-UONOGXRCSA-N 358.442 2.636 0 1 FFAF Cn1cc(-c2cnn3c(Nc4ccccn4)cc([C@@H]4CCCNC4)nc23)cn1 66101697 JABANGKXVZEAJQ-CQSZACIVSA-N 374.452 2.735 0 1 FFAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N1CCCC1)C3 27742355 NVKXEASZAMIQAR-CQSZACIVSA-N 372.465 2.653 0 1 FFAF COc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1OC 28822059 WWNRAVJSUQOMKN-UHFFFAOYSA-N 352.394 2.790 0 1 FFAF NC(=O)O[C@H](CCN1CCN(c2ccccc2O)CC1)c1ccccc1 95572562 COTVVPLCYRJFJG-LJQANCHMSA-N 355.438 2.741 0 1 FFAF CC1(C)OC(=O)C[C@H]1c1nc2cccc(I)c2[nH]1 586908863 KAJRQKCDIXJIFI-ZETCQYMHSA-N 356.163 2.977 0 1 FFAF COc1ccc(Br)c2c1-c1nc3nc(O)nc(O)c3cc1C2 587365461 CYBMDRSUPMAOQQ-UHFFFAOYSA-N 360.167 2.778 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@H]1C(=O)OC)CC2=O 587476607 QBSDTPBQMHQWFD-MGPUTAFESA-N 361.438 2.564 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1n[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O 587439183 KIHBCSDSRVAUDJ-SGTLLEGYSA-N 350.330 2.758 0 1 FFAF CN(C)S(=O)(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586932246 XOPYKWXLXPQHNI-UHFFFAOYSA-N 371.768 2.549 0 1 FFAF C[C@@]1(c2cc3cc(CO)ccc3o2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903518 VDTIHBJZUVSSGD-OXJNMPFZSA-N 355.365 2.927 0 1 FFAF O=C1[C@H]2[C@@H]3CC[C@@H](C3NCc3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 13136269 RAKHRCAHNDHPHV-MLVLIFOTSA-N 360.457 2.986 0 1 FFAF COc1cc(OC)c2c(=O)c(OC)c(-c3cc(O)c(OC)cc3O)oc2c1 14436492 YXRNTXFGNDFPHS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro C[C@@H]1O[C@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 17187648 VNYPKNHJPZZNQO-HNONPPJISA-N 356.374 2.565 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 169306658 AALLCALQGXXWNA-PUUVSLHASA-N 358.390 2.533 0 1 FFAF O=C(C1CCN(c2cnccc2-c2ccccn2)CC1)N1CC(F)(F)C1 1857619644 NAHVHXWKYCYEEI-UHFFFAOYSA-N 358.392 2.838 0 1 FFAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 101127082 IBOZZWGMZPMXBO-RQJABVFESA-N 371.218 2.688 0 1 FFAF CCN1C[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 101248069 DWMYNPYNEFTVSQ-IAGOWNOFSA-N 356.514 2.661 0 1 FFAF O=C(N1CCOCC1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1 103230856 NOPZTCNOVACUFO-UHFFFAOYSA-N 351.450 2.928 0 1 FFAF CC(C)(C)n1ncc(OCc2nnc(-c3ccco3)o2)c(Cl)c1=O 103215964 FPHCLMPHBCYULW-UHFFFAOYSA-N 350.762 2.874 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H]1CCCO1 29322480 NZOKUUUJIFFZKA-CYBMUJFWSA-N 369.893 2.552 0 1 FFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@H]1O 2356817903 DOOTWSIZSJRCPQ-QYCAQUSDSA-N 363.527 2.523 0 1 FFAF O=S1(=O)CCO[C@H]2CCCC[C@@H]2N1Cc1ccccc1Br 36382988 RTYBTIFNLOXKEY-GJZGRUSLSA-N 374.300 2.922 0 1 FFAF COc1cccc(-c2oc3c(O)c(OC)cc(O)c3c(=O)c2O)c1OC 14436467 QKHJALDYMOGGGX-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 135991403 LHQSXNQSQNPTRT-BURFUSLBSA-N 368.433 2.774 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)NCC2 238750513 UFZHGELLRRECQI-MSOLQXFVSA-N 369.373 2.531 0 1 FFAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1ccco1)C1CC1 473086184 BANBNWSAWFCAPQ-GOSISDBHSA-N 355.438 2.864 0 1 FFAF Cc1ccccc1C(=O)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 299842306 FUPZSIUNXZOATI-RXVVDRJESA-N 352.434 2.695 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)C[C@]4(C[C@@H]21)c1ccccc1N(C)[C@H]34 473170074 PRBYEVQYZLEFMG-KRARFDDCSA-N 350.462 2.729 0 1 FFAF COC(=O)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 587274672 YHOCPAKSZCNUPE-UHFFFAOYSA-N 356.172 2.609 0 1 FFAF COC(=O)c1cc2nc(COCCN)[nH]c2c(F)c1Nc1ccccc1 587245845 ZQAZOCKAQJFTDR-UHFFFAOYSA-N 358.373 2.708 0 1 FFAF Cc1nn([C@H](C)C(=O)NCc2cccs2)c(=O)c2cc3sccc3n12 5108672 MOBKNHKJJCRUSE-SNVBAGLBSA-N 372.475 2.958 0 1 FFAF CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cnccn2)C1 12315948 APVWWOHIBYIQRA-HXUWFJFHSA-N 352.482 2.575 0 1 FFAF COc1cc(C)ccc1OCc1nc(C(=O)NC[C@H]2CCCCN2C)co1 15078726 PZYJEOVVFIQIGE-OAHLLOKOSA-N 373.453 2.785 0 1 FFAF Cc1[nH]c2cc([C@H]3CCN(Cc4cccc(F)c4F)C3)nn2c(=O)c1C 19556051 NGXDPRPZKQRMAZ-ZDUSSCGKSA-N 358.392 2.907 0 1 FFAF CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccccc3)nc1-2 147721798 QZFSNBVNIFYAPJ-UHFFFAOYSA-N 362.437 2.814 0 1 FFAF O=C(O)CCC[C@H](O)C=CC=CCC[C@@H](O)CC=CCCCCC(O)O 2356284464 BZDHSIPNZCHPKA-ZWKOTPCHSA-N 370.486 2.673 0 1 FFAF CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 26438651 QYVJVKVNQLIHAQ-CQSZACIVSA-N 369.391 2.869 0 3 FFAF Cc1cc(C(=O)N2CC[C@]2(C)C(=O)Nc2cccc3c2CCCC3)nn1C 61906135 BXOVSHGGPBRCGD-OAQYLSRUSA-N 366.465 2.851 0 3 FFAF O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2nc(-c3ccccc3)[nH]c12 118661510 QUHAKLIRTFIRPF-CYBMUJFWSA-N 350.422 2.665 0 1 FFAF CC1=C(CC[C@]23COC(=O)C2=CCC[C@H]3O)C(=O)O[C@H](c2ccoc2)C1 2356695961 CWWUMNIILGRGJX-QKLQHJQFSA-N 358.390 2.989 0 1 FFAF Cc1nc2cc(Cl)ccc2nc1C#Cc1nc(N2CCCC2)nn1C 210607791 UXTWKEQQIIUEDU-UHFFFAOYSA-N 352.829 2.720 0 1 FFAF COc1cc2c(cc1O)[C@]13C[C@H](OC)[C@@H](OC(C)=O)C=C1CCN3CCC2 14440752 GRBIFEHYJNDLOS-ACRUOGEOSA-N 373.449 2.525 0 1 FFAF biogenic Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 49073202 PWAAGHQFYYZZAX-FQEVSTJZSA-N 364.445 2.641 0 1 FFAF Nc1ncc(-c2ccccc2-c2cnc(-c3cnc(N)nc3)c(F)c2)cn1 224760968 UQZVBYYNXCOHPQ-UHFFFAOYSA-N 359.368 2.966 0 1 FFAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccco3)c2=O)CC1 25236438 CMMOGKBTEMKNFQ-CVEARBPZSA-N 353.466 2.622 0 1 FFAF biogenic Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 95579823 CDZSRJONOQIGDJ-UHFFFAOYSA-N 374.495 2.718 0 1 FFAF COc1cc2c(cc1OC)N1C(=O)C[C@@]34C=CCN5CC[C@H]2[C@@]1(CC3)[C@H]54 85848961 IWRWXSVJPLAGIK-OOBDGNPPSA-N 352.434 2.701 0 1 FFAF biogenic CNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653724623 QUJYHRIZUONGII-GOSISDBHSA-N 361.401 2.690 0 1 FFAF CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](OC)O1 587616809 MCSZDUHBBLOQRA-GVQGQHRESA-N 372.373 2.704 0 1 FFAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(N)ncnc2[nH]1 587189995 FOKREVCHJMRLIF-ZDUSSCGKSA-N 354.414 2.891 0 1 FFAF N[C@H](N=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035758 ZNNPOAFGGTWWBU-MRXNPFEDSA-N 355.423 2.767 0 1 FFAF COC(=O)CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 587368508 RKAUFXMXDRYGFE-UHFFFAOYSA-N 357.341 2.738 0 1 FFAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2cccc3ccccc23)cc1 12352400 IZSPRRJOCQMXKB-UHFFFAOYSA-N 366.398 2.898 0 1 FFAF C[C@H](Nc1ncnc2[nH]ccc12)c1nn2cccc2c(=O)n1-c1ccccc1 205610092 KPIDZQFTGXTMSO-ZDUSSCGKSA-N 371.404 2.930 0 1 FFAF O=c1cc(OCCCN2CCN(c3ccccn3)CC2)c2ccccc2o1 1857588670 PFBJAGGQHQVUTL-UHFFFAOYSA-N 365.433 2.779 0 1 FFAF Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2 1650232 FOKAHYDSEWGOHN-UHFFFAOYSA-N 358.302 2.859 0 1 FFAF biogenic,in-vitro COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4050094 HINPPJLMUWIPCL-AZUAARDMSA-N 368.433 2.940 0 1 FFAF COCCn1c(CCC(=O)NCc2ccccc2Cl)nc2cccnc21 6803503 BOQYQAOLKMWBFR-UHFFFAOYSA-N 372.856 2.980 0 1 FFAF NC(=O)c1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621042 OBEIQVRUXRBRAZ-PXNSSMCTSA-N 359.429 2.988 0 1 FFAF C/C=C1\CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 103581749 SJKRPUOXUNOPOP-TWYBGABPSA-N 354.450 2.518 0 1 FFAF biogenic,in-vitro COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)CC[C@]1(C)O 2356310700 DDUYMNONWMLEII-BDTNDASRSA-N 368.477 2.516 0 1 FFAF CC=CC(=CC=C[C@H](c1cc(NC(C)=O)c(OC)cc1O)[C@H](C)O)CO 2356874235 YUAMXQIJNWAZMP-BBRMVZONSA-N 361.438 2.875 0 1 FFAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(CO)[nH]c2c1 43067609 SPBMREHIIXCLIL-UHFFFAOYSA-N 371.389 2.926 0 1 FFAF COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3OC)c2)c(O)c1 45286600 LPXXQZRBJNEFHG-UHFFFAOYSA-N 351.358 2.791 0 1 FFAF CN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O 40421605 VOSPMAIPFZNKCO-MPCGPATOSA-N 367.236 2.569 0 1 FFAF C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cn3)ccc2F)C=CSC(N)=N1 147054866 ISJLVXCWDQHGNL-KRWDZBQOSA-N 368.397 2.530 0 1 FFAF COC(=O)[C@H]1[C@H](O)CC=C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 238743264 YNBUWOBJOATOHI-GDAAHCPNSA-N 352.434 2.567 0 1 FFAF C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 587388579 DZTWUMQOKXUTSQ-DYCSCKHLSA-N 370.449 2.837 0 1 FFAF COc1ncc(F)cc1-c1nc2ncc(I)cc2[nH]1 587175506 FDUUXDNWSGCOJB-UHFFFAOYSA-N 370.125 2.772 0 1 FFAF CCOC(=O)Cn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431309 JRZAYHULWQPTSM-JLTOFOAXSA-N 370.405 2.560 0 1 FFAF COC(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2n1 587021598 OCXUCZWBDROONW-UHFFFAOYSA-N 351.391 2.948 0 1 FFAF O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]32 587602914 JWWPRJAOURXGOE-LYQZFFQSSA-N 364.353 2.689 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239985 PNJMRIGNAYXOKK-MVBJNABHSA-N 373.457 2.908 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccccc1NS(C)(=O)=O)[C@@H](C2)C3=O 587447405 AAIVVOOAIATVNM-SCLBCKFNSA-N 359.403 2.555 0 1 FFAF N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248846 XREQBYRYDXGACW-LLVKDONJSA-N 350.138 2.919 0 1 FFAF C[C@@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592052 HGZGUYKIHVUFJZ-QOEVCOJSSA-N 367.401 2.958 0 1 FFAF C[C@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592051 HGZGUYKIHVUFJZ-PLUMIXRBSA-N 367.401 2.958 0 1 FFAF Cc1cc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)no1 962643035 RXGNRFJQDBPMBH-IUODEOHRSA-N 356.300 2.744 0 1 FFAF Cc1sc2c(c1C)CCN[C@]21C(=O)Nc2ncc(Br)cc21 963019617 HWNUQFGYQSXWHZ-HNNXBMFYSA-N 364.268 2.864 0 1 FFAF O=C(O)C[C@@H]1CC[C@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962675983 XHGRAHKOBGVBOY-ZEWGMFERSA-N 368.433 2.804 0 1 FFAF O=C(Cc1ccccc1)NC1CCN(Cc2ccc3c(c2)OCO3)CC1 13470628 VQMSXQHNJUJNCY-UHFFFAOYSA-N 352.434 2.739 0 1 FFAF COc1cc([C@H]2OC[C@@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)ccc1O 14642227 GRYMYKQGSSTJBA-QEEYODRMSA-N 358.390 2.668 0 1 FFAF endogenous,in-man CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 169306615 AHJLSFJGPNXLKP-UHFFFAOYSA-N 365.418 2.830 0 1 FFAF O=Nc1c([C@@H]2C(=O)Nc3ccc(S(=O)(=O)O)cc32)[nH]c2ccccc12 169723261 ZSNHIQTXGFQNBW-CYBMUJFWSA-N 357.347 2.897 0 1 FFAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@H](O)C1 205246955 PLZFUAHYVSHHBG-HNNXBMFYSA-N 372.432 2.961 0 1 FFAF Cc1nc([C@H]2C[C@@H]2c2nc3ncccc3n2C)cc(-n2nc(C)nc2C)n1 205291795 PMBUVOJJFKGCEU-KBPBESRZSA-N 360.425 2.535 0 1 FFAF C[C@H](NC(=O)C1CCOCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356402552 KOYUEGDFFPQXLJ-JTQLQIEISA-N 362.357 2.783 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C 4079806 WQMDPWQKDSBDFJ-QUCCMNQESA-N 367.449 2.941 0 1 FFAF CCn1c(S[C@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc12 4138630 DWQYAOKPXPPNKM-OAHLLOKOSA-N 371.466 2.584 0 1 FFAF CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@H](O)C1(C)C 27769476 FTIQBISGSZPQKG-DWNHGRFWSA-N 357.494 2.997 0 1 FFAF OCCCc1ccc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2c1 59281880 MSRXZEPPHBVIHQ-HNNXBMFYSA-N 364.449 2.701 0 1 FFAF CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2o1 64539662 WNHLSUXSXXFTRC-HOTGVXAUSA-N 371.437 2.696 0 1 FFAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc([C@@H](C)O)cc1 29557204 UKDKNLDAQSYNLH-LLVKDONJSA-N 373.796 2.728 0 1 FFAF COc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H](O)[C@@H]2O)c1 72134918 ALNBBVCAIQVVKF-OWCLPIDISA-N 351.196 2.986 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)CCC1 137649401 QKXSRJAHTPTJNG-QPYXYYCYSA-N 368.514 2.916 0 1 FFAF endogenous,in-man CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 82072278 QCWQNEQQYBYDCL-UHFFFAOYSA-N 360.410 2.740 0 1 FFAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1cc(C(C)C)ncn1 96272375 LPGCHHIWVTYXEA-ZDUSSCGKSA-N 374.470 2.514 0 1 FFAF O=C(CN(Cc1ccccn1)Cc1ccccn1)NC1Cc2ccccc2C1 230558767 XUISNYLBJKFWPG-UHFFFAOYSA-N 372.472 2.762 0 1 FFAF CC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cn2)C1=O 653786005 MWSGEULLGNZZFT-UHFFFAOYSA-N 367.405 2.548 0 1 FFAF Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1 653786707 RFBOIDHBCYJRIH-UHFFFAOYSA-N 365.343 2.968 0 1 FFAF O=C(c1nc(-c2ccccc2)no1)n1ncc2ccc(Cl)cc2c1=O 587652376 QDMLXQMQYATTCK-UHFFFAOYSA-N 352.737 2.788 0 1 FFAF Cc1ccc(-n2cnnc2SCc2nc3c(O)ncnc3[nH]2)cc1Cl 586968547 UINQASKTCZYDQP-UHFFFAOYSA-N 373.829 2.893 0 1 FFAF COC(=O)CCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587430772 GYOWVZOWUOLVCI-VLIAUNLRSA-N 370.405 2.560 0 1 FFAF O=C1SCC[C@H]1NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772576187 STMLYAWCFJBSAW-YRGRVCCFSA-N 370.482 2.501 0 1 FFAF CNC(=O)c1cccnc1Nc1nc(-c2ccc(OC)cc2)cc2nccn12 1772598945 SDQBVWGDJVBCRJ-UHFFFAOYSA-N 374.404 2.903 0 1 FFAF CCOC(=O)[C@H](C)n1nc(-c2ccc(Br)cc2)ccc1=O 5397950 KQHIHMAVKVHVAP-JTQLQIEISA-N 351.200 2.797 0 1 FFAF Cc1ccc(OCc2cc(C(=O)NCCCN3CCCC3=O)no2)cc1C 12595129 SQYFLRYSIMXIAY-UHFFFAOYSA-N 371.437 2.613 0 1 FFAF Cc1c([C@@H](C)O)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O 14965052 HOBAZBKVMNJTCP-SNVBAGLBSA-N 353.371 2.686 0 1 FFAF CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C 150091866 QYRXPOVMJPLPCV-MRXNPFEDSA-N 359.470 2.638 0 1 FFAF CCn1cc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1 200615636 JETQBCUUZYCKST-UHFFFAOYSA-N 356.393 2.542 0 1 FFAF O=C1CCOc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2N1 1857746010 OZYQRGIXLDAWHO-CYBMUJFWSA-N 372.352 2.531 0 1 FFAF CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4ccncc4C)C3)nn2c1=O 19521726 AYQNKECZBQFHJQ-INIZCTEOSA-N 351.454 2.586 0 1 FFAF CCCCN(Cc1ccccc1)C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4564577 SZKGRJIVCQNTEH-HNJRGHQBSA-N 366.461 2.622 0 1 FFAF Cc1oc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1C(=O)O 6738771 XGUMONCOEKYFMX-UHFFFAOYSA-N 352.394 2.552 0 1 FFAF FC(F)(F)c1ccc(O[C@@H]2COCCN(Cc3ccccn3)C2)nc1 2356298930 KOUKXKLLCULUTD-HNNXBMFYSA-N 353.344 2.775 0 1 FFAF CCCCNC(=O)[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)[C@@H](C)CC 103229380 RSTPJIFAQBUBLP-LPHOPBHVSA-N 370.497 2.992 0 1 FFAF CC[C@H](C(=O)OCc1ccc(Cl)cc1)[C@H](CO)Cc1cncn1C 28090454 RVMOYVPASLXAJQ-YOEHRIQHSA-N 350.846 2.994 0 1 FFAF COc1cc(-c2nn[nH]c2-c2ccc3c(c2)OCCO3)cc(OC)c1OC 113775054 PMKMQVFQXFSHII-UHFFFAOYSA-N 369.377 2.936 0 1 FFAF CCCCCCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O 28222384 VQLAKBFYOTWPMJ-ZDUSSCGKSA-N 358.847 2.575 0 1 FFAF CC(C)C[C@@H](CN)CC(=O)OCCCOC(=O)CC1(CN)CCCCC1 26504643 YWIJDNFVRMWHFE-QGZVFWFLSA-N 370.534 2.773 0 1 FFAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccccn1 26575118 YDMQQVWBOQYJTA-HNNXBMFYSA-N 354.435 2.634 0 1 FFAF C[C@@H]1CC[C@@]2(O)[C@H](CC[C@H](O)C2(C)C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 34470622 YAGMCYJJNFHJLU-PGYBWPQXSA-N 352.471 2.533 0 1 FFAF CO[C@]1(c2ccccc2)c2cc(Cl)ccc2N(C)C(=O)CN1[N+](=O)[O-] 33829468 AZMXGBILURMXKC-QGZVFWFLSA-N 361.785 2.658 0 1 FFAF CC(C)[C@]12O[C@H]1C[C@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O 45337151 VUKHORQAZYZECW-OTHWBTSQSA-N 352.471 2.583 0 1 FFAF CCc1c(C(=O)NCc2ncccc2C)nc(N)nc1-c1ccc(C)o1 45393421 YOVOVQDSVQMVGL-UHFFFAOYSA-N 351.410 2.823 0 1 FFAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21 45299989 APGISPPDWLSWQA-AWEZNQCLSA-N 367.424 2.956 0 1 FFAF CC/C=C/c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911575695 CPWQKLYTIGAVKH-WEVVVXLNSA-N 367.497 2.567 0 1 FFAF CN(CCCCCN(C)c1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1 49114189 JFWYKDKWTSVVRI-UHFFFAOYSA-N 366.513 2.998 0 1 FFAF CN(CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)O)c1ccccc1 20463511 CAKJYGVHEYUTOE-HOTGVXAUSA-N 371.437 2.754 0 1 FFAF biogenic O=C(Nc1ccon1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 45495792 BDANJOPHOBYPMQ-UHFFFAOYSA-N 356.411 2.547 0 1 FFAF COc1cccc(Cn2[nH]c(C)c(Cc3ccc4c(c3)OCO4)c2=O)c1 148071235 LAJWRJPIATZTIV-UHFFFAOYSA-N 352.390 2.861 0 1 FFAF COC(=O)[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 473135200 MKCWQWYIYCCVRR-DIFFPNOSSA-N 354.362 2.543 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855953 HKPMUUFOBQENHG-SXKNGAHQSA-N 374.275 2.854 0 1 FFAF CN(Cc1nc2cc(F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169597 DCZUKGYODWVGRT-UHFFFAOYSA-N 355.341 2.801 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cccc(C(N)=O)c2[nH]1)C[C@@H]1CCCO1 587198165 ZUEVTEOZDQFCPP-LBPRGKRZSA-N 374.441 2.578 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1nc[nH]n1)[C@@H](C2)C3=O 587428526 NUFOIFWKAQDMLS-LIRRHRJNSA-N 351.337 2.644 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3ccccc3s1)(C(O)O)O2 587415471 SYYGIUJYBYCWLN-LJQANCHMSA-N 355.415 2.963 0 1 FFAF Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1COc1ccc(Cl)cc1 587076898 ZIQYDKJKZNHLLI-UHFFFAOYSA-N 373.756 2.960 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1OCC(=O)O)[C@@H](C2)C3=O 587442490 YFVHNKTVGUWRKU-XOBRGWDASA-N 370.357 2.656 0 1 FFAF CC/C=C/C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496572 OYPPJMLKAYYWHH-WYVSGJMJSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CN1C[C@@H]2C[C@@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1C2 13446474 XXWOCVWJOICKHA-PWIZWCRZSA-N 351.446 2.948 0 1 FFAF O=C([C@@H]1CSCN1C(=O)CCC1Cc2ccccc2C1)N1CCCC1 13737607 MBHHSYLJUPVCDU-SFHVURJKSA-N 358.507 2.706 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@]21O 1857573475 WDTUOLYNVPVKAD-GQNCEREXSA-N 358.390 2.534 0 1 FFAF Cc1ccc(NC(=O)CCc2cccc3c2B(O)OC3)cc1Br 1857600484 BTNDVMHOCKDSJQ-UHFFFAOYSA-N 374.043 2.547 0 1 FFAF COc1ccc(F)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857758296 IWUMZJCKPCCMLT-NSHDSACASA-N 352.387 2.583 0 1 FFAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1O)C(F)(F)F 1539876 GRZXMPCZLPYDIS-MRXNPFEDSA-N 353.296 2.875 0 1 FFAF CNc1ccc(C)cc1S(=O)(=O)Nc1onc(C)c1Br 1540807 KPISXONXINCUAB-UHFFFAOYSA-N 360.233 2.896 0 1 FFAF CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 4971494 QAYAKVQGGQUQDW-UHFFFAOYSA-N 362.495 2.796 0 3 FFAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1n1ccccc1=O 27872710 JOOAXWGGACJWCR-QGZVFWFLSA-N 353.422 2.905 0 1 FFAF COc1ncnc(Cn2cc(C(=O)NC[C@H](C)F)c3ncc(C)cc32)c1C 103248972 NMQSAHHGZYPJJS-LBPRGKRZSA-N 371.416 2.588 0 1 FFAF CCN(Cc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27181425 QDXFWCAUHSXDNJ-GOSISDBHSA-N 352.434 2.790 0 1 FFAF COc1cc(C=CC[C@]23C[C@@H](C(=O)O)N[C@@H]2Nc2ccccc23)ccc1O 2356549444 BJTCLTIDRHFSRO-ORYQWCPZSA-N 366.417 2.940 0 1 FFAF Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 74378098 WTDDYJLBNVEFFU-ZWKOTPCHSA-N 356.447 2.727 0 3 FFAF O=C(O)CCn1c(=O)n(Cc2nsc3ccccc23)c2ccccc21 72175133 UWTUPAGKZAKECK-UHFFFAOYSA-N 353.403 2.936 0 1 FFAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@]21N=C(N)N(C)O1 142032367 IIRSHWRFBYAKOT-VYHPPPRESA-N 371.481 2.951 0 1 FFAF CN(C)CC(C)(C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142954107 RDZHZIOZCVVQSC-UHFFFAOYSA-N 374.338 2.965 0 1 FFAF C[C@H]1CN2C[C@@H]3CC[C@@H]4CCC=C4[C@]4(CCC(N)=O)[C@H]2[C@H]1CC[C@]34CO 238758579 KJPPAWUWLMKICL-KFLJVBEWSA-N 358.526 2.707 0 1 FFAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 238784941 LCESTORIXPKFIW-UKGDJZQKSA-N 366.413 2.644 0 1 FFAF O=C(NCCCCO)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144797972 GGMREFZOYXQBJM-GOSISDBHSA-N 365.351 2.968 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427741 FRVJSJLDWZIBDF-XZUPSWAGSA-N 373.449 2.846 0 1 FFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 587936414 LBONCFPYVBSOCS-PELKAZGASA-N 363.215 2.913 0 1 FFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 586890305 OCXYSQFKLSXPHB-FZKQIMNGSA-N 373.478 2.959 0 1 FFAF CCOC(=O)C[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587520920 BREMHCZSRKAINI-FQEVSTJZSA-N 360.406 2.786 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)n2)N1 587743429 DPCULRXAZXNEHR-ANRSDYALSA-N 351.223 2.588 0 1 FFAF O[C@H]1CC[C@H](NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772582794 FKJCXGMVIYEUDT-BIAGXBKMSA-N 368.485 2.773 0 1 FFAF CCCCC[C@H](O)C(=O)C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 169692737 INQZQTKUJUVDRN-CRNRIYMUSA-N 368.470 2.532 0 1 FFAF CCCCC[C@@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 3815966 PAVYSSGJRYCIIJ-GOSISDBHSA-N 362.470 2.708 0 1 FFAF Cc1nc(N2CCOCC2)c2c(C(=O)N(C)c3ccccc3)c(C)oc2n1 8596936 GOLDXRHHFUXIPE-UHFFFAOYSA-N 366.421 2.953 0 1 FFAF CC(C)(CNC[C@@H](O)c1ccc(O)c(C(N)=O)c1)Cc1ccc(F)cc1 27744628 JTKGSPFDPQZIBZ-GOSISDBHSA-N 360.429 2.522 0 1 FFAF COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1F 38477235 LCBKYPGZLSAFPP-UHFFFAOYSA-N 352.174 2.732 0 1 FFAF CC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N 27207479 SCOFYUWGRMOYSU-BDJLRTHQSA-N 373.428 2.737 0 1 FFAF COc1ccc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356589878 VZYQBRRUDRSHTA-YJBOKZPZSA-N 369.396 2.951 0 1 FFAF O=C(O)[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 28330755 LXQKWUKMJDUEEO-HOTGVXAUSA-N 350.823 2.982 0 1 FFAF Cn1ccnc1C(=O)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 23542949 LSYMKMWTQCIOAN-UHFFFAOYSA-N 371.828 2.574 0 1 FFAF C[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743874 XGHZIOVZCANMOF-XIKOKIGWSA-N 362.857 2.789 0 1 FFAF CC(=O)c1c(-c2ccccc2)nn(CC(=O)O)c(=O)c1Nc1ccccc1 29557132 KPAQTEDCHASXKA-UHFFFAOYSA-N 363.373 2.941 0 1 FFAF COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 73138487 DRPZFPFMLAERPC-DNVCBOLYSA-N 367.405 2.724 0 1 FFAF O=C(O)COc1ccc(Cl)cc1CN1CCC2(CCNCC2)CC1 72165540 OLYJMNALFPMJKE-UHFFFAOYSA-N 352.862 2.769 0 1 FFAF CS[C@@H]1C(=O)N(C)/C(=C\c2ccc(OCC=C(C)C)cc2)C(=O)N1C 143658255 QXYMNBLAEDQYLV-KVVHSQDJSA-N 360.479 2.992 0 1 FFAF biogenic,in-vitro C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895014 FCQGTBRXXRMODJ-WYNYBAAUSA-N 370.493 2.653 0 1 FFAF C=CS(=O)(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 618020245 QNJGUZZQFGUZPE-LBPRGKRZSA-N 359.289 2.601 0 1 FFAF CN(Cc1cccs1)[C@@H]1CCC[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 299842137 JEMBQUQHLKBCFO-YXJHDRRASA-N 356.495 2.911 0 1 FFAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4ccccc4)nn3)ccc21 653737608 IYEGGYYEGKLCGS-CYBMUJFWSA-N 351.362 2.797 0 1 FFAF Cc1noc(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587277086 ZEEQYWNTJIONAG-UHFFFAOYSA-N 351.156 2.918 0 1 FFAF CC(C)NC(=O)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 169685446 LMZKIRCZNPJKJL-HUUCEWRRSA-N 362.405 2.549 0 1 FFAF c1cncc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)c1 205250258 BFKALRIDPJGPRZ-UHFFFAOYSA-N 358.405 2.919 0 1 FFAF C[C@@H]1CNC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644825 SNEKQIGUUXKDQP-RISCZKNCSA-N 359.376 2.847 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(F)c(O)c3)c(F)c2)C(=O)O1 1243050411 VGWRRDFPBPFDLB-ZDUSSCGKSA-N 362.332 2.799 0 1 FFAF CC(C)CCc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 1491305 GNQCIDFVHCZWGX-UHFFFAOYSA-N 362.377 2.673 0 1 FFAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCc3ccccc3)cc12 3045429 XFMCZHXUAWBOAL-UHFFFAOYSA-N 359.403 2.960 0 1 FFAF COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@H](C)C2)c1 22609860 CHYVAKAFGGCNES-TYNCELHUSA-N 374.466 2.704 0 3 FFAF c1coc(CNc2nc(NCCCN3CCOCC3)nc3ccccc23)c1 66075748 XKDHTBZBBCMHLN-UHFFFAOYSA-N 367.453 2.969 0 1 FFAF CC(C)(Cc1ccc(F)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 35792506 VIGWCKLXTREABD-KRWDZBQOSA-N 374.412 2.507 0 1 FFAF CC(=O)N1c2ccccc2C(=O)[C@H]1N1CCN(c2ccc(F)cc2)CC1 20579841 QARVMKHITSNGDR-FQEVSTJZSA-N 353.397 2.523 0 1 FFAF C[C@H](O)C[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 2356805540 ACQHZORIRZCPLG-WBIUFABUSA-N 358.225 2.624 0 1 FFAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)c(OC)c1 28567669 MNNZSKWCHHTGSA-UHFFFAOYSA-N 371.393 2.977 0 1 FFAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@H](CN(C)C)C3)cc2)cc1 73167986 UDNSIXFJDBUEQZ-KRWDZBQOSA-N 374.462 2.817 0 1 FFAF CC(C)[C@]12CC[C@@]3(O1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]3(O)[C@H]2O 45388214 FUMZEAQEADDMAG-CXJUCTJLSA-N 352.471 2.727 0 1 FFAF C[C@H]1c2nnn(-c3cnccn3)c2CCN1C(=O)c1ccc(Cl)cc1F 226010147 SOGYWUYAUACTLS-JTQLQIEISA-N 372.791 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367.405 2.667 0 1 FFAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccc(F)cc2)nn1 201478996 MFXMXPNBTPIWBO-UHFFFAOYSA-N 354.385 2.934 0 3 FFAF O=C1[C@H]2C[C@@H]2C(=O)N1c1cc(Cc2nnc(O)c3ccccc23)ccc1F 101037634 CKUVJWILNPUODE-KBPBESRZSA-N 363.348 2.575 0 1 FFAF O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)Nc1ccc(F)cc1F 103972300 UFISLGVECMREHS-UHFFFAOYSA-N 354.316 2.746 0 3 FFAF CCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O 100593966 OQLXZBCHTNEOPS-DBQILDTASA-N 353.378 2.872 0 3 FFAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 64453796 MSATYYBKPKURGO-FJDGTGBTSA-N 350.499 2.681 0 1 FFAF O=C(c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O)N1CCCCC1 21934039 JFKJODQWQICMHD-UHFFFAOYSA-N 370.428 2.694 0 1 FFAF CC(=O)NCn1cc(-c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)c(=O)o1 28525213 USROEZMPECUNII-UHFFFAOYSA-N 370.336 2.706 0 1 FFAF CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)/N=c1\[nH]ccn1C 29233994 SSOYSMQSZRBAFJ-UHFFFAOYSA-N 364.327 2.517 0 1 FFAF COc1ccc(CNC(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 74377377 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C=CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21 13820235 RLZIDJYDGXJRGH-MNEFBYGVSA-N 362.495 2.552 0 1 FFAF COC(C)(C)[C@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 201367010 KHYFBXFVIMYKJJ-HXUWFJFHSA-N 374.525 2.822 0 1 FFAF Cc1ccc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c1 1857667911 XGSNPGVCMDTHQS-UHFFFAOYSA-N 354.387 2.997 0 1 FFAF CCC(=O)C[C@@H]1C(C)(C)CCC[C@]1(C)[C@]1(O)CC[C@](C)([C@H](O)CO)O1 2356331735 OJZVKDPZYTWJHP-AFKBCAQJSA-N 356.503 2.799 0 1 FFAF O=C(Nc1cc(Cl)ccc1OCCCCO)c1cnn2cccnc12 113655642 IENAGJLPRLYHIH-UHFFFAOYSA-N 360.801 2.786 0 1 FFAF CC[C@@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28114065 CQSXDXGZMHUYRJ-CXAGYDPISA-N 357.458 2.853 0 1 FFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C)cc3)C2)CC1 68245536 JKJPQSZAVSDSPV-GOSISDBHSA-N 373.497 2.810 0 1 FFAF O=S1(=O)c2ccccc2O[C@H](COCc2ccccc2)CN1C1CC1 61944817 QJYMAXMWWWKACA-KRWDZBQOSA-N 359.447 2.818 0 3 FFAF CC[C@H](C)[C@H](NC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1 28114490 VZMCSBFDWDQKHG-YOEHRIQHSA-N 355.438 2.995 0 1 FFAF 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FFAF O=C(O)COc1ncnc2cc(-c3ccc4c(c3)CCC(=O)N4)sc12 72124418 BTIVHIFLTSHJBX-UHFFFAOYSA-N 355.375 2.706 0 1 FFAF Oc1cccc(-c2cn3cc(C(F)(F)F)nc3c(N3CCOCC3)n2)c1 73295506 CYHPIECDPXPPLI-UHFFFAOYSA-N 364.327 2.957 0 1 FFAF CCOC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 84758895 QXFDPMCSDJQLEK-LBPRGKRZSA-N 354.366 2.768 0 1 FFAF Cc1ccnc(-c2nc(O)c(O)c(C(=O)N[C@H](C)C3CCCCC3)n2)c1 1911578992 DCUQXQGOXKEJOF-GFCCVEGCSA-N 356.426 2.957 0 1 FFAF Cn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220359626 CESXVLQJLJLUOM-INIZCTEOSA-N 372.787 2.661 0 1 FFAF N[C@H](Cc1ccc(F)c(F)c1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 95588753 XIABLTGVFHRZRR-MRXNPFEDSA-N 367.359 2.834 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587441411 SQXZQBCBEUFFLL-ZWWNWMABSA-N 363.413 2.703 0 1 FFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnc3ccccc3c2[nH]1 586950711 BCRXFUYJCVCBRU-UHFFFAOYSA-N 359.436 2.915 0 1 FFAF N=c1[nH]ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587173610 XXVMVAZNWBWXBK-UHFFFAOYSA-N 353.332 2.965 0 1 FFAF C=CN1CC[C@H]([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394888 JWCPXEXOOBMICP-BTYIYWSLSA-N 363.417 2.825 0 1 FFAF CCCCC[C@@H](O)CCCN(C/C=C\CCCC(=O)O)S(C)(=O)=O 169346983 LDKWDKXUXHXTOO-CXOKCQFOSA-N 363.520 2.781 0 1 FFAF CCN1C=C(C(=O)O)[C@]2(NCCc3ccc(O)cc32)c2cc(OC)ccc21 963343765 WJNQTEBJYZULFW-OAQYLSRUSA-N 366.417 2.599 0 1 FFAF CCOC(=O)[C@@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962900433 QLXZPLOQIUUZII-PXNSSMCTSA-N 357.381 2.540 0 1 FFAF COc1ccc(C(=O)N2CCC[C@@H](c3cc(C)nc4ncnn34)C2)cc1C 1772618021 VSEBQNKGBAFSQB-MRXNPFEDSA-N 365.437 2.770 0 1 FFAF CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C(C(=O)O)=C1C(=O)O 13553477 OKZJXWRODZEZBB-OAHLLOKOSA-N 373.405 2.755 0 1 FFAF COc1cc(CC(=O)Nc2c(O)n[nH]c2-c2ccccc2)cc(OC)c1 169304815 XRQLCWMQFXGIEC-UHFFFAOYSA-N 353.378 2.981 0 3 FFAF CCNc1cccnc1N1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 6385399 XUPVEUROLPQTGK-UHFFFAOYSA-N 365.437 2.663 0 1 FFAF Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(N)=NN=C2N)cc1 53122832 MDWQUGAEHHYSIE-INIZCTEOSA-N 362.433 2.635 0 1 FFAF CCN(CCc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27179986 YNDZBKQPNYPOIS-LJQANCHMSA-N 366.461 2.832 0 1 FFAF C[C@@H]1C[C@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O 2356566847 WXMNNRDFSZJCML-YFAYWGPHSA-N 358.390 2.534 0 1 FFAF COC(=O)[C@@]1(Cc2ccccc2)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1 72119656 VGIBPUSULHUSGX-YCRPNKLZSA-N 353.418 2.828 0 1 FFAF CCC(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102143 QMQUQQHRKGHSDC-IBGZPJMESA-N 360.408 2.835 0 1 FFAF Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(-c3cccc(F)c3)cc12 144761230 UAFIOOSLWDLMRI-UHFFFAOYSA-N 351.381 2.876 0 1 FFAF CNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C 299862922 KIEUYMUJJNEEPZ-UHFFFAOYSA-N 367.496 2.674 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)n2)N1 587744668 HXWMLAFJVFICLA-AYVTZFPOSA-N 351.223 2.588 0 1 FFAF Cc1nn(CCO)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587767386 YUEVVEAOXFHQFW-JDNHERCYSA-N 368.250 2.709 0 1 FFAF Cc1cccc(-n2cnc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)n1 587653514 XRVWBRGLYCPFDJ-UHFFFAOYSA-N 365.780 2.628 0 1 FFAF CC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337536 PVCRLNHFPUVQJD-WSTZPKSXSA-N 355.365 2.928 0 1 FFAF COCCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656499 LUVVTXDCQUWLOC-UHFFFAOYSA-N 373.359 2.936 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(N)=O)c1)CC2=O 587469068 HPRFPEUVYVOEFX-GOSISDBHSA-N 355.390 2.915 0 1 FFAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586892467 SRIRVMQMOHKYMG-SCLBCKFNSA-N 373.478 2.959 0 1 FFAF COCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797524 VWOMNJUKAFEQKF-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCNC3=O)cc1)O2 587398047 DPUCPTOTULOLEQ-HXUWFJFHSA-N 351.406 2.987 0 1 FFAF COc1cc(C(=O)Nc2cc3nccnc3nc2C)cc(OC)c1OC 1772598702 XDGCFVLZEXXAOX-UHFFFAOYSA-N 354.366 2.611 0 1 FFAF COc1nc(C)c(C(=O)N2CCc3[nH]nc(Cc4ccccc4)c3C2)s1 19774537 RHYLTKRBAUHJDC-UHFFFAOYSA-N 368.462 2.973 0 1 FFAF O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cn1 205099534 KBHJJFHSYZKVLG-UHFFFAOYSA-N 356.332 2.796 0 1 FFAF CNc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 205284658 MMZUNRYMFIZVCH-ZIAGYGMSSA-N 374.452 2.874 0 1 FFAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2cccc(F)c2)[nH]1 1857560900 YFXAEGPBAHSFSY-KRWDZBQOSA-N 366.440 2.807 0 1 FFAF O=C(CNc1ccc2oc(=O)ccc2c1)N1CCN(c2ccccc2)CC1 1857566478 AKCQVKULWVLHMR-UHFFFAOYSA-N 363.417 2.554 0 1 FFAF O=C1[C@@H]2C[C@H]2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640903 NOOIIOJGBZCOSW-TUKIKUTGSA-N 356.372 2.912 0 1 FFAF Cc1cc2nc(CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2cc1C 2356328789 HUXAGUKATUZLQH-MAUKXSAKSA-N 357.433 2.652 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 101849451 NXUXUPDIDFKURE-POAQFYNOSA-N 371.458 2.892 0 1 FFAF C[C@@H]1C(=O)N(C(=O)C(C)(C)C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29478695 UTUGGFICDHIGEE-BPUTZDHNSA-N 358.438 2.817 0 1 FFAF Cc1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)c1 27737639 XLAKSMPCCWSUGC-UHFFFAOYSA-N 350.421 2.556 0 1 FFAF c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1 28644797 QCGVWURENBVVQG-UHFFFAOYSA-N 357.417 2.708 0 1 FFAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)ccc1O 2356455524 XRKOYXZGQNBIRK-HOTGVXAUSA-N 370.401 2.746 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CCC(=O)[C@](C)(O)CCC=C(CC1)C(=O)O2 2356798828 SWVXEUGODIFBMQ-AQNXPRMDSA-N 350.455 2.846 0 1 FFAF COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1 35983054 YUIMOAIVEUAFHF-NRFANRHFSA-N 372.465 2.745 0 1 FFAF O=C(O)CCC[C@@H](O)/C=C\C=C\CC[C@@H](O)C/C=C\CCCCC(O)O 85588758 BZDHSIPNZCHPKA-NSBXBVANSA-N 370.486 2.673 0 1 FFAF endogenous,in-man O=C(CCn1cccc1)N1CCc2[nH]nc(COc3ccccc3)c2C1 48205462 DLCBAMSHNYPJNE-UHFFFAOYSA-N 350.422 2.765 0 1 FFAF CCn1c(-c2nc(-c3ccc4c(c3)OCO4)cnc2N)nc2cnccc21 45211207 ZBEQRBKXCIQGJI-UHFFFAOYSA-N 360.377 2.886 0 1 FFAF Cc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 263590385 WTDDYJLBNVEFFU-MSOLQXFVSA-N 356.447 2.727 0 3 FFAF O[C@H](CCN1CCN(C(=S)NC2CCCCC2)CC1)c1ccccc1 473134391 BTSBVRFGULSZAS-LJQANCHMSA-N 361.555 2.935 0 1 FFAF CN(Cc1cccs1)[C@H]1CCC[C@H]2CN(C(=O)c3cnccn3)C[C@@H]12 299842136 JEMBQUQHLKBCFO-LESCRADOSA-N 356.495 2.911 0 1 FFAF Cc1cccc(NC(=O)Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1C 587239190 LIRPSEKIJWPNAP-UHFFFAOYSA-N 357.435 2.764 0 1 FFAF C=C1C=C(C)N2N=C(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)NC2=N1 587875901 OSQSJKXAEMXOEY-UHFFFAOYSA-N 350.313 2.441 0 1 FFAF O=S(=O)(/C=C\c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 586924460 QKMSUJXMUAMNFC-SREVYHEPSA-N 365.212 2.512 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3nncn3c1C)CC2=O 587488296 IQIATJAIIFBEIY-LJQANCHMSA-N 352.394 2.971 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1c(N)cc(OC)cc1OC)[C@@H](C2)C3=O 587434021 ZXHNLUWPUVYWMP-RBZFPXEDSA-N 355.390 2.957 0 1 FFAF O=C(/C=C/c1ccccc1)OCC(O)COC(=O)/C=C/c1ccccc1 13451928 WJAOMUJLXZIEEN-PHEQNACWSA-N 352.386 2.861 0 1 FFAF biogenic,in-vitro COc1cccc([C@H]2Oc3ccc(Br)cc3[C@H](O)[C@@H]2O)c1 169355601 ALNBBVCAIQVVKF-HRCADAONSA-N 351.196 2.986 0 1 FFAF CCSCCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 169686649 GRBKZWVDAPXSJX-LSDHHAIUSA-N 364.423 2.553 0 1 FFAF O=c1n(-c2cccc(Cl)c2)cc2nc(O)n(Cc3cccc(F)c3)n12 1857578991 ICPXGCKBYAOXAH-UHFFFAOYSA-N 358.760 2.833 0 1 FFAF COc1ccccc1N1CCN(C(=S)SC(=S)N(C)C)CC1 1857629165 HXOMGWWJMWTLLB-UHFFFAOYSA-N 355.554 2.682 0 1 FFAF CNC(=O)c1nc2nc3cc(-c4c(C)noc4C)c(OC)cc3c-2c[nH]1 1857653374 SMYWDSZXWMKRLF-UHFFFAOYSA-N 351.366 2.703 0 1 FFAF C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@H](CO)C(=O)OC 33833755 JGKCGXVOATXMRM-LZLXCTOHSA-N 354.450 2.671 0 1 FFAF C[C@@H](c1ccccc1)N1CN(C(=O)OCc2ccccc2)[C@@H](CO)C1=O 1638209 FPBXZYZWVPTLNA-YJBOKZPZSA-N 354.406 2.547 0 1 FFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)C1CCC1 2356320455 IKVDYCUBXDJEJH-NSHGMRRFSA-N 370.449 2.709 0 1 FFAF Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)o1 4101964 NICRJXXZPLAFMD-GYSYKLTISA-N 374.340 2.753 0 1 FFAF COc1cc(O[C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)ccc1O 6453817 OJVGWDJIYBTWDS-RYMBOPBQSA-N 372.373 2.869 0 1 FFAF endogenous,in-man Cn1ncc2c1C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 102051958 ZNIINFIWHBSEGX-IUODEOHRSA-N 351.859 2.914 0 1 FFAF CC(C)(C)CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356387259 NBVWSQGSERBFMY-ZIAGYGMSSA-N 372.469 2.876 0 1 FFAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 58582478 VFSCBASJPGZOGO-HOCLYGCPSA-N 356.447 2.996 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H](O)C2=C(C)C(=O)O[C@H]2C1 2356604110 UBMHMIZHPPOKIP-BPCRPFJNSA-N 350.455 2.654 0 1 FFAF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3)OCO2 27188070 SHJYJGGCNNVRPY-UHFFFAOYSA-N 351.358 2.856 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC 6403378 RIBQNZSBOGKTHR-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF biogenic NS(=O)(=O)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40897335 XZBFBJMQHOJIMB-UHFFFAOYSA-N 361.467 2.646 0 1 FFAF in-vivo CC(=O)N1c2ccccc2[C@@]23CCN(C)/C=C4/[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 138574402 XZIACDKZDCVKKQ-XBJDSYLLSA-N 366.461 2.503 0 1 FFAF COc1ccc(CNc2nc(N3CCSCC3)ncc2C)cc1OC 82202821 MCDKPAIVLOLBNU-UHFFFAOYSA-N 360.483 2.968 0 1 FFAF COC1CCC([C@H](C)Nc2nc(N3CCCN(C)CC3)ncc2C)CC1 82202646 WUDOYLGNBAWTTL-AOCRQIFASA-N 361.534 2.933 0 1 FFAF CC(C)c1ccccc1OCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O 96933078 XQESVFGFBSUFAA-SFHVURJKSA-N 373.497 2.985 0 1 FFAF COc1cc([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 98085790 FLHMFQZNJJPWBH-DLCPYMQGSA-N 364.438 2.621 0 1 FFAF COc1ccc(Cn2nnc3c2[C@](C)(O)CC[C@H]3OC(=O)NC(C)C)cc1 263620303 CDAJJINZTVFCPA-DNVCBOLYSA-N 374.441 2.512 0 1 FFAF in-vitro O=C(c1ccc(CN2C(=O)c3ccccc3[S@@]2=O)cc1)N1CCCCC1 299825701 NCMKPJLBHSCRQP-SANMLTNESA-N 368.458 2.991 0 1 FFAF C[C@@]1(c2cccc(O)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(O)c1 299828999 JSZCJTFFFLFQBJ-HVTWWXFQSA-N 355.390 2.599 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587761714 CKPJBPYBQOONDL-XXFAHNHDSA-N 368.250 2.709 0 1 FFAF O=C1CN(c2ncccc2-c2nc(-c3ccc(F)cc3)cs2)CCN1 587922866 IKMOPYSKEOEKMR-UHFFFAOYSA-N 354.410 2.947 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443899 MOWKKDHYNYTZEN-UHTBIJDUSA-N 357.406 2.965 0 1 FFAF O=C(O)CCc1ccc(C[C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962924695 UQSFVVYDHGTHAU-ROUUACIJSA-N 357.381 2.726 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2C[C@@H]1O 13383657 FJVQQAWOOLFVQM-KRWDZBQOSA-N 354.358 2.946 0 1 FFAF biogenic O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F 13477154 BUCDFNRRQGAPCD-HNNXBMFYSA-N 351.324 2.924 0 1 FFAF CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl 1344392 SFUAWSOFPMVCMA-UHFFFAOYSA-N 355.785 2.835 0 3 FFAF C[C@H]1Cc2c(Br)c(O)c(Br)c(O)c2C(=O)O1 2356456890 UVCOWJRDRUGLFA-VKHMYHEASA-N 351.978 2.724 0 1 FFAF CC=C1[C@H]2CCN[C@H]1[C@]1(CC)C(=Nc3ccccc31)[C@@]2(CO)C(=O)OC 2356510548 CTIFWXHLJCBKTR-NVGWVTIJSA-N 354.450 2.510 0 1 FFAF Cc1csc(NC(=O)[C@H]2CCC[C@H](NC3CCC3)CN(C)C(=O)C2)n1 2356316429 JKZMRWAOYFWXOT-ZFWWWQNUSA-N 364.515 2.549 0 1 FFAF NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114800 CCHLSEPSYHUUJN-UHFFFAOYSA-N 363.461 2.547 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@H]2C1 103241036 NNAXJFVHJMELKL-TWMKSMIVSA-N 357.454 2.653 0 1 FFAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3O[C@@H](C)CCN)c12 118736943 AEZIQAFYPBDDDR-VIFPVBQESA-N 373.438 2.953 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NC(C)C)O3)c1 61896194 ZMEQQOVKMWPUAC-HXUWFJFHSA-N 353.422 2.925 0 3 FFAF CC[C@H]1CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356759869 GLLCWAAMMJOGIH-NONKOEHBSA-N 362.429 2.737 0 1 FFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCC(C)C)C(=O)[C@@]31C 2108796 WIDAHMIHWQREFT-OAQYLSRUSA-N 369.465 2.665 0 1 FFAF biogenic CCN1CCC[C@@H]1CNC(=O)c1c(OC)c(Cl)cc(OC)c1OC 34343051 MPKKCEUANNGJTC-LLVKDONJSA-N 356.850 2.580 0 1 FFAF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O 40917744 DCEBFZXQYUBEHY-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF CCOC(=O)[C@@H]1CC(C(=O)c2ccccc2N)=NN1Cc1ccccc1 40402649 QBYLGUXGNDYFDQ-SFHVURJKSA-N 351.406 2.645 0 1 FFAF N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142906015 VMVSNRMSJYGJSA-RYUDHWBXSA-N 354.332 2.755 0 1 FFAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccccc2F)ON1C 95591115 OVSGGRFQBBLVIC-KGLIPLIRSA-N 360.322 2.992 0 1 FFAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@@H]2CO 95665590 NRZNOJBDZSVXJK-PEYYIBSZSA-N 353.260 2.559 0 1 FFAF CN(CCCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Cc1ccccc1 253664943 JCQWKPHRUQWHIZ-YDRVBMSGSA-N 350.462 2.562 0 1 FFAF COc1cc2c(cc1O)C[C@@H](Cc1cc(O)c(OC)c(OC)c1)N(C)CC2 59064561 DDZFGDDTJVGKMY-MRXNPFEDSA-N 373.449 2.765 0 1 FFAF biogenic,in-vitro COC(=O)[C@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442730 LDHQLQGCHNJHJA-IIBYNOLFSA-N 352.386 2.987 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797277 VYLVMIHSLDUPEB-MIUALZABSA-N 360.223 2.526 0 1 FFAF COC(=O)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587043438 ZMMZMRXBMOXFLE-JKSUJKDBSA-N 354.435 2.691 0 1 FFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccnc2[nH]1 586953851 TUHHXCVTPAIFLD-UHFFFAOYSA-N 357.420 2.882 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(F)CCOC2=O)N1 587722532 SHDGFLQHYIFMFU-UKXDHYTESA-N 360.198 2.993 0 1 FFAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)c1ccccc12 587533975 SZMBQNAJKYHUMY-SIKLNZKXSA-N 362.381 2.552 0 1 FFAF Cc1ccnc2c1CCN[C@@]21CSC2(CN(C(=O)OC(C)(C)C)C2)C1 963078502 XWMILASTYGHHHG-IBGZPJMESA-N 361.511 2.857 0 1 FFAF Cc1ccn2c(C)c([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)nc2c1 962908363 VVQMFFKPNDZBSH-JXFKEZNVSA-N 353.397 2.953 0 1 FFAF O=C(OCCCc1c[nH]cn1)c1ccccc1I 13747346 AVYKVIPNQOLGOF-UHFFFAOYSA-N 356.163 2.804 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2cccc(F)c21 169313316 ZTHWPJIQTINHPT-AIMAZDRCSA-N 371.364 2.579 0 1 FFAF NC(=O)c1cc([C@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 169334898 KAJMGOVCKGGONI-MEBBXXQBSA-N 367.371 2.918 0 1 FFAF CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)N1CCCC1)C2 203472566 KQWIPFSMWKVZHY-KKSFZXQISA-N 374.481 2.629 0 3 FFAF COc1ccc(S(=O)(=O)NCCCC(=O)c2ccc(F)cc2)cc1 1857547068 DAWMCICHXQRKKX-UHFFFAOYSA-N 351.399 2.776 0 1 FFAF CCOc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)cc1 2722178 WOPPRJXESONZBQ-UHFFFAOYSA-N 372.446 2.989 0 3 FFAF O=C(Cn1c(=O)c2cccn2c2ccccc21)N1CCc2ccccc2C1 6750678 DBGRMJUKWITLIM-UHFFFAOYSA-N 357.413 2.839 0 1 FFAF C[C@H]1CCC[C@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)[C@@H]1C 6807625 FFXAWHZUOJBTLU-ZNMIVQPWSA-N 370.453 2.963 0 1 FFAF O[C@H](CN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 103464865 OKSUXSKEZHORAD-MRXNPFEDSA-N 362.271 2.700 0 1 FFAF NC(=O)c1cccc([C@@](O)(c2cncnc2)c2ccc(Cl)cc2F)c1 72102766 GQAAMYYFJIPREV-GOSISDBHSA-N 357.772 2.652 0 1 FFAF COc1ccc(/C=C2/C[C@@](CO)(COC(=O)C3CCCCC3)OC2=O)cc1 40872359 RTXGEYLCNCAZMP-DGJFXRHUSA-N 374.433 2.880 0 1 FFAF CNC(=O)c1cccc(-c2n[nH]c3cc(C)nc(OC4CCOCC4)c23)c1 144949139 XZFRQKCRCWTJFK-UHFFFAOYSA-N 366.421 2.851 0 1 FFAF CCCn1c(=O)n(C(C)(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 299861710 IQUAXSVTVCVTAD-UHFFFAOYSA-N 356.426 2.638 0 1 FFAF C[C@@]1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1 299850798 PGEYXEWWULQRQB-FQEVSTJZSA-N 360.454 2.974 0 1 FFAF CCCn1c(=O)n(C(C)C)c2cc(C(=O)c3c(C)nn(C)c3O)ccc21 299869076 TYSWWCRTMZUUEI-UHFFFAOYSA-N 356.426 2.772 0 1 FFAF CNc1cc([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1 299850839 WMMRGSWARIQLJL-CQSZACIVSA-N 352.394 2.546 0 1 FFAF CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440045 YRZHDNSIDIXKCD-ZUOKHONESA-N 369.373 2.913 0 1 FFAF C[C@@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590419 ZZPZROKAWUUMHN-APWZRJJASA-N 350.330 2.765 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(O)c2[nH]1 586965211 LOWVTZCONVFMNT-UHFFFAOYSA-N 369.454 2.725 0 1 FFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(=N)[nH]cc2[nH]1 586985692 ZUQVYNYEAGRPTA-ZDUSSCGKSA-N 374.242 2.553 0 1 FFAF Oc1nc(NCc2ccccc2)c2nc(-c3cnc(Cl)nc3)nc-2[nH]1 587086255 ZMCFEVQBHQAYSN-UHFFFAOYSA-N 353.773 2.733 0 1 FFAF COc1cc(OC)c(OC)cc1C[C@]1(C)NCCc2nc3ccccn3c21 962987114 UOIFCOGXQGDCJG-NRFANRHFSA-N 367.449 2.964 0 1 FFAF CCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772614313 RCWUUMJJJVFQSV-UHFFFAOYSA-N 373.501 2.999 0 1 FFAF Cc1ccccc1N1C(=O)CN(C(=O)c2scc3c2OCCO3)C[C@H]1C 14884495 AQVQBKIAWOYIJY-CYBMUJFWSA-N 372.446 2.705 0 1 FFAF C[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1 15941920 VLTZYXZFTVVPPP-ZDUSSCGKSA-N 358.463 2.980 0 3 FFAF O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC[C@H](c2ccccn2)NC1=O 209289251 CTYDDGCCDRLNIQ-NVXWUHKLSA-N 364.449 2.888 0 1 FFAF O=C(c1ccco1)N1CCc2nc(=NCc3cccc(Cl)c3)[nH]cc2C1 1857586142 SQMQYRQLKVCFCS-UHFFFAOYSA-N 368.824 2.956 0 1 FFAF Cc1cc2nc(CO[C@@H]3CN(C4CCN(C)CC4)C[C@@H]3F)[nH]c2cc1C 2356331325 YZLZPCKZBQNMED-QFBILLFUSA-N 360.477 2.813 0 1 FFAF O=C1O[C@@H](COc2ncccn2)CN1c1ccc(C2=CCOCC2)c(F)c1 27413194 DUKCFLLNVJLRJQ-OAHLLOKOSA-N 371.368 2.824 0 1 FFAF COc1cc(C[C@]2(O)CC[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 2356468413 AIPSXMGLGCDLLD-GCKMJXCFSA-N 374.433 2.575 0 1 FFAF Cc1c(Nc2csc3ncnc(N)c23)c(=O)n(-c2ccccc2)n1C 72120445 RVGVUANNBDWMAM-UHFFFAOYSA-N 352.423 2.815 0 1 FFAF CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@@H](O)OC4=O)C(=O)C[C@H]12 13376637 RCYGSCAXXOLSIX-PEECDGGASA-N 360.406 2.716 0 1 FFAF biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc(Nc2ccccc2)o1 35876859 PEVOMCOIDIUZEI-UHFFFAOYSA-N 365.393 2.902 0 1 FFAF Cc1ccc(C)c(Cn2c(Sc3cccc(N)c3)cc(=O)[nH]c2=O)c1 84668946 CLSNXJCVOKCMQP-UHFFFAOYSA-N 353.447 2.935 0 1 FFAF O=C(CCCCCCCc1ccccc1)OC[C@@H](O)COP(=O)(O)O 1911586622 WGTPQPFTUNRITF-MRXNPFEDSA-N 374.370 2.583 0 1 FFAF C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccccc3)c(=O)n21 82211574 BXEGTZUADJFPIV-AWEZNQCLSA-N 356.470 2.893 0 1 FFAF C[C@H](O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 143287989 JPUORMGBAFLKFE-ZDUSSCGKSA-N 371.458 2.835 0 1 FFAF CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 148073507 ZRTJBYXLLBVJEV-UOIKSKOESA-N 373.888 2.806 0 1 FFAF COc1ccc(Cn2cc(-c3nnn[nH]3)c(=O)c3c(F)ccc(F)c32)cc1 96906819 NUFKXKIFCVUJQB-UHFFFAOYSA-N 369.331 2.517 0 1 FFAF CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@H]1c1ncc2cnc3[nH]ccc3n12 254145317 LUPCHAFIKZSOOK-TYNCELHUSA-N 373.482 2.565 0 1 FFAF C[C@H]1C[C@@H](C)C[C@H](O)[C@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 254076657 JPYMPXICULCYPW-YQSJPPHNSA-N 359.466 2.750 0 1 FFAF NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530048 DGKVFAYJCOZFHF-GOSISDBHSA-N 357.431 2.919 0 1 FFAF CCOC(=O)C[C@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452141 JLGHQZQQSVIHFS-FOIQADDNSA-N 360.406 2.561 0 1 FFAF CCOC(=O)Cc1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586926815 QNFQIMKKKGCFMQ-UHFFFAOYSA-N 358.419 2.739 0 1 FFAF CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441754 MCZRXWBALMOIIX-IIBYNOLFSA-N 368.385 2.997 0 1 FFAF COc1cccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 586940821 GZEOKYUTKPUJGR-ZHACJKMWSA-N 357.435 2.970 0 1 FFAF Cc1nonc1CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11715670 YOQLRTSRBGYKDZ-CQSZACIVSA-N 373.363 2.578 0 3 FFAF CCC[C@@H](O)C1=C(Br)/C(=C\I)OC1=O 13379592 KCFLZMAPXDKUEQ-YWSOBTQUSA-N 372.984 2.630 0 1 FFAF CC(=O)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC(C)=O 16051983 GARHCDOTUULBOQ-PKNBQFBNSA-N 367.401 2.909 0 1 FFAF in-vivo Fc1ccc([C@]2(CNc3ccc(Oc4nnn[nH]4)cc3)CCOC2)cc1 19739956 SCGZJSOFKXDBMP-SFHVURJKSA-N 355.373 2.901 0 1 FFAF CC(=O)NC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1 38244339 CSRHPCOGCXTMMQ-UHFFFAOYSA-N 355.467 2.785 0 1 FFAF CO[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)CNCCS(=O)(=O)O)C2(C)C 2356414075 OMVQPKQKZVZTMM-XUGFYTTLSA-N 373.559 2.967 0 1 FFAF CCCn1c(=O)c2[nH]c([C@@H]3CCc4ccccc4C3)nc2n(CCC)c1=O 3809566 BTEWZIBVDSSLRZ-MRXNPFEDSA-N 366.465 2.979 0 1 FFAF CS(=O)(=O)Nc1cccc(-c2nc(-n3ccnc3)c3ccccc3n2)c1 4239428 NOWQTGPYUUYCKO-UHFFFAOYSA-N 365.418 2.854 0 1 FFAF O=C(CCn1c(=O)c2cccn2c2cccnc21)N1CCc2ccccc2C1 20512338 KAIKXXAHRBPMBL-UHFFFAOYSA-N 372.428 2.624 0 1 FFAF C[C@]1(O)C[C@@H]2OC(=O)[C@H]3[C@@H]4CC[C@H]([C@@]15C[C@H](c1ccoc1)O[C@@H]5O4)[C@@]23C 2356411661 WFNOPFDDUYBCLS-UEZQJXOQSA-N 360.406 2.565 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(OCCn2ncc3ccccc32)cc1 27559825 NDAWUINATPEPPR-SFHVURJKSA-N 369.465 2.853 0 1 FFAF COc1cc([C@@H]2CN=C(c3ccc4nccn4c3)O2)cc(OC)c1OC 27525630 OXMOWFIQTZQADK-INIZCTEOSA-N 353.378 2.878 0 1 FFAF CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273314 WKAHNIDYDJZSBO-BXUZGUMPSA-N 352.822 2.701 0 1 FFAF C[C@@H]1C=C2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@H]([C@@H]24)[C@@H]1C)OCO5 5124912 WTXORUUTAZJKSN-HKQFUZPPSA-N 354.358 2.887 0 1 FFAF biogenic COc1ccc2c(c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@@H](O)CN1C 13410118 HJDHOTUYSIOWTP-KBPBESRZSA-N 355.390 2.676 0 1 FFAF biogenic CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1 73295804 LQUFPDKZSGCLHK-UHFFFAOYSA-N 368.340 2.752 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@H]32)cc1 253917085 FDDPSZVKVPUOOD-LZJOCLMNSA-N 359.385 2.868 0 1 FFAF CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@H]32)nc2ccccc21 618014467 QQSOZAOOQPVZMP-XJKCOSOUSA-N 369.469 2.539 0 1 FFAF COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)[C@H](OC)C=C1CCN3CCC2 85662446 QANHDQASCQVEMJ-BLIXFSHQSA-N 373.449 2.631 0 1 FFAF biogenic CCCCc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nnnn34)cc12 653764481 XEVKOVDYHFZSIT-UHFFFAOYSA-N 351.366 2.649 0 1 FFAF O=C(O)COCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587563181 OINJSXUICIYOFZ-UHFFFAOYSA-N 369.093 2.825 0 1 FFAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(=N)[nH]c(Cl)c2[nH]1 587147679 QJZITDIZCHNIJT-UHFFFAOYSA-N 361.743 2.765 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)C(C)C 586933499 TUTBYAUDGPFOJK-AWEZNQCLSA-N 353.444 2.678 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587441403 SQXZQBCBEUFFLL-ULYRPOKDSA-N 363.413 2.703 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(COC(=O)c1ccccc1N)[C@@H](C2)C3=O 587427553 DODSUARBZABJMS-XOBRGWDASA-N 353.374 2.641 0 1 FFAF O=C(N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)C(=O)O)OCc1ccccc1 587204500 ZANHGMAQAKYAJL-ZDUSSCGKSA-N 374.784 2.533 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346201 HVLQUPHFUPZQBR-IMFGXOCKSA-N 374.364 2.837 0 1 FFAF COc1cc2c3c(c1)O[C@](C)([C@@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O 587453751 GURDXVXJZKDXER-WJPUGNRLSA-N 350.370 2.983 0 1 FFAF COC(=O)c1cnc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cn1 961318240 FXNUEXCELVYLGS-OAHLLOKOSA-N 374.238 2.793 0 1 FFAF CN1C(=O)C[C@H]2CN[C@](CCC(=O)O)(c3ccccc3F)c3cccc1c32 963036349 XIUYRIYNEXGVCU-YEJXKQKISA-N 368.408 2.987 0 1 FFAF COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@@H]2O)c1 169355600 ALNBBVCAIQVVKF-JYJNAYRXSA-N 351.196 2.986 0 1 FFAF CN1CCC(n2[nH]cc3nc(-c4cncn4Cc4ccccc4)nc2-3)CC1 103594607 KSNLFLHDTYOMJS-UHFFFAOYSA-N 361.453 2.890 0 1 FFAF COc1ccc(S(=O)(=O)Oc2cccnc2NC(=O)c2ccco2)cc1 29405175 XAMHFUUQZSGQCA-UHFFFAOYSA-N 374.374 2.703 0 1 FFAF CN1CCC(NC[C@@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)CC1 2356299548 KSVZFWBLYLVIDC-CQSZACIVSA-N 368.403 2.810 0 1 FFAF COc1cc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc2c1OCO2 116828987 PSDNQBQDZMNVKM-CQSZACIVSA-N 352.350 2.571 0 1 FFAF CN1CCC(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)CC1 28959990 JNDMRSCVAIUCCH-UHFFFAOYSA-N 350.422 2.802 0 1 FFAF COC(=O)C(C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1 118093566 QRIBEDBOVWHYJL-PWHKKFIBSA-N 366.369 2.752 0 1 FFAF O=C([C@@H]1CCCN(c2ccncc2)C1)N1CCN(c2ccc(F)cc2)CC1 33128839 PPBXERHBLGQSKB-QGZVFWFLSA-N 368.456 2.786 0 1 FFAF CNC[C@]1(C)CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27525946 BKDXLSJIQAABDJ-FQEVSTJZSA-N 373.428 2.610 0 1 FFAF CCCC(=O)Oc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14645184 TZSJAFZOKOZXHG-UHFFFAOYSA-N 372.329 2.988 0 1 FFAF biogenic COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)ccc1O 40402020 NHAOGCZSDZVMDC-OAHLLOKOSA-N 355.398 2.852 0 1 FFAF CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C)n2)c(F)c1 224731969 OVDXIGDVKVQNRW-UHFFFAOYSA-N 372.425 2.748 0 1 FFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@H]1CO 95092788 HRTOUPQLDWWXIX-UONOGXRCSA-N 367.401 2.651 0 1 FFAF CCOC(=O)N1CCC(CN2CC(N3Cc4ccccc4NC3=O)C2)CC1 473148654 GQDQXNDPLXGENL-UHFFFAOYSA-N 372.469 2.587 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587439712 MOAHHQBNYXVLCD-RBZFPXEDSA-N 370.357 2.656 0 1 FFAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587430309 DBZLINSXHAVFKJ-FCDDRNRXSA-N 367.449 2.764 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CCC(=O)O)c1C)O2 587390194 LBTIOUXKDKKTRI-IBGZPJMESA-N 357.410 2.746 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccccn1 587870692 PKSMNROJCBQZAC-UHFFFAOYSA-N 354.341 2.762 0 1 FFAF Cc1cc2c(cc1O)[C@@](C)(c1ccc3c(c1)cc(O)n3C)N[C@H](C(=O)O)C2 963553015 QKUPPLNEYSNXMB-HRAATJIYSA-N 366.417 2.760 0 1 FFAF COC(=O)c1ccc2[nH]cc([C@H]3NCCc4c(C(=O)O)cccc43)c2c1 963129478 FKIQWFFAISNFDW-SFHVURJKSA-N 350.374 2.888 0 1 FFAF CN(C)c1nc2sc3c(c2c(=O)o1)CCN(C(=O)c1ccccc1)C3 13678167 DZXJXBFNYWTJJO-UHFFFAOYSA-N 355.419 2.514 0 1 FFAF CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCc2cn(C(=O)O)c3ccccc23)NC1=O 14636209 RPOAITLDEGVXBM-MJEQTWJJSA-N 371.437 2.519 0 1 FFAF biogenic CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)[C@@H](C)N=O 169713207 NDPJNYXVIMENNG-VXGBXAGGSA-N 370.881 2.916 0 1 FFAF CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 4424094 NKPUUXQXIWFEOT-UHFFFAOYSA-N 368.227 2.611 0 3 FFAF N[C@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 28891643 VVJKDHDXWRSOBK-SFHVURJKSA-N 369.856 2.565 0 1 FFAF COc1cc(-n2c(-c3ccc4c(c3)OCO4)coc2=O)cc(OC)c1OC 26838701 XMHWKGCSSCYSER-UHFFFAOYSA-N 371.345 2.852 0 1 FFAF CCCc1cc(OC)c(O)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 34343078 DLPRWZRVRSUBEK-AWEZNQCLSA-N 350.459 2.576 0 1 FFAF C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 49748493 XITMABSZYZIVCB-SNVBAGLBSA-N 359.451 2.559 0 1 FFAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCC2)c2cc[nH]c2c1=O 146480559 PRQLMCVQNWUHQM-UHFFFAOYSA-N 372.446 2.868 0 1 FFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@](CCO)(CC[C@@H]12)[C@H]43 238747619 IKGCNOXJYOBUNZ-KDXIVRHGSA-N 370.493 2.786 0 1 FFAF CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccc3ccccc3n2)O1 299842365 NNJCWAFTNNCDKV-XUVXKRRUSA-N 353.466 2.881 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccnc1 299835260 CTXBWYDUHKJEND-UHFFFAOYSA-N 350.758 2.504 0 1 FFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586882490 VYJPWISQTMYKGW-UHFFFAOYSA-N 370.430 2.895 0 1 FFAF COc1ccc2nc(-c3cncc(I)c3)[nH]c2n1 587185079 PJISTKIJZTXBSC-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)C 586932113 APVOQDVRIBTUSG-AWEZNQCLSA-N 365.459 2.561 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3F)c(S(C)(=O)=O)c2c1 587650576 ZTLOXBLFHOBBPA-UHFFFAOYSA-N 367.423 2.781 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(O)c3[nH]2)cc1 587227949 BVJHIQAUKWISMZ-UHFFFAOYSA-N 354.366 2.767 0 1 FFAF CCn1nccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697109 LBDAIJUKCFXCQR-CJNGLKHVSA-N 371.334 2.923 0 1 FFAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)n1 1772581732 JQPFBPKZRBMCCY-GFCCVEGCSA-N 352.394 2.980 0 1 FFAF C[C@@H](N=c1c(C(N)=O)c[nH]c2ccc(-c3cccnc3)cc12)c1ccn(C)n1 1857599950 KCBCGZCZHKEUPT-CYBMUJFWSA-N 372.432 2.724 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 1857606488 FIDRRYSVIRIHOV-WOJBJXKFSA-N 373.449 2.829 0 1 FFAF COc1cc(C[C@H]2COC(=O)C2=Cc2ccc3c(c2)OCO3)ccc1O 2356340083 GXUFGVFUODGOIH-AWEZNQCLSA-N 354.358 2.929 0 1 FFAF Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 103283306 FXEJEZMKUPYQJG-UHFFFAOYSA-N 363.389 2.937 0 1 FFAF NC(=O)c1ccccc1OCCN1CCN(c2ccccc2Cl)CC1 103204049 QOAPXQWAEQHJIZ-UHFFFAOYSA-N 359.857 2.640 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@]12O 2356537170 JDRASYJDBQMJOH-VPGBUXFSSA-N 350.499 2.683 0 1 FFAF COC(=O)Cc1nnn2c1[C@H](C)[C@@H](OC)c1cc(Br)ccc1-2 199723242 WVSZQKQMIUVEIT-VXJOIVPMSA-N 366.215 2.550 0 3 FFAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ccc(Cl)c21 45285428 KHRFOVWWZXOPTG-UHFFFAOYSA-N 369.745 2.991 0 1 FFAF COC(=O)c1ccc(Cn2cnc3c(Nc4cccc(N)c4)ncnc32)cc1 40935375 NJGWYVGFHQXJEC-UHFFFAOYSA-N 374.404 2.987 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1 95911422 QKXSRJAHTPTJNG-ZXKIXMLFSA-N 368.514 2.916 0 1 FFAF biogenic,in-vitro CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299874531 BNPBVBSGOADZPG-YQQAZPJKSA-N 362.813 2.912 0 1 FFAF O=C(O)C[C@@H](O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892612 UPEJCDGINXNNFI-YFKPBYRVSA-N 367.121 2.722 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)CS[C@H]1C(=O)OC 587493743 GMCLCNHNGOFCQJ-MENVHETRSA-N 350.436 2.973 0 1 FFAF CC(C)(CN1CCCC1)[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232583 OPTKDQSIADUZIO-OALUTQOASA-N 353.466 2.997 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(OCC(N)=O)cc1 963258566 OLKXDQJNOIGJCO-IBGZPJMESA-N 360.841 2.622 0 1 FFAF COC(=O)C[C@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962623791 KVROBKJRYACLJC-QKKBWIMNSA-N 370.449 2.782 0 1 FFAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1 142297788 BHDPFSLFZXFXCO-KRWDZBQOSA-N 354.431 2.928 0 1 FFAF CC1(C)OC[C@H](Cn2cc([C@@H](O)c3ccc(C(F)(F)F)cc3)nn2)O1 1772592366 CQDIITHCXYUYOT-JSGCOSHPSA-N 357.332 2.530 0 1 FFAF COC(=O)c1c[nH]c2cc(N3CCN(c4ccccc4)CC3)ccc2c1=O 1772582424 LCPAVKNJSZDGRT-UHFFFAOYSA-N 363.417 2.641 0 1 FFAF CN(Cc1nccn1C)C(=O)CCc1nnc(CCC2CCCCC2)o1 12306906 UVJFTTPYFGIEMO-UHFFFAOYSA-N 359.474 2.907 0 3 FFAF C[C@]12C[C@H](O)[C@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO 12493505 RHQQHZQUAMFINJ-WOCMSMNJSA-N 350.499 2.538 0 1 FFAF endogenous,in-man COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 13139556 OABCLKMPOUYXKO-XERREHJYSA-N 367.401 2.915 0 1 FFAF COc1cc2oc(C)cc(=O)c2c2c1C[C@@H](C)[C@@]1(C[C@H](O)C[C@H](C)O1)O2 13385305 MHQCFVVDBXCFCK-UVIPZXLTSA-N 360.406 2.937 0 1 FFAF biogenic,in-vitro CO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O 169702038 SUYFLKVYVRWKMI-IIAWOOMASA-N 359.344 2.868 0 1 FFAF O=C(Cc1cccnc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167734826 YUXAUXWTECPCFK-UHFFFAOYSA-N 374.444 2.816 0 1 FFAF COc1cc2oc(-c3cc(O)cc(O)c3OC)cc(=O)c2c(O)c1OC 205293007 GVHGTNNZZZKNML-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c1 4918051 IGJOCUNNQQUEGL-UHFFFAOYSA-N 361.448 2.721 0 3 FFAF Cc1ccc(NC(=S)[C@H]2C(=O)c3ccccc3N(C)S2(=O)=O)cc1 8670318 SQBRCNSWQOTIAJ-MRXNPFEDSA-N 360.460 2.765 0 1 FFAF CNC(=O)N1C[C@@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 28012747 WDXVXBAWJUECKW-LLVKDONJSA-N 352.394 2.508 0 1 FFAF CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)CC2 101097179 CVCIBCNUVGMNFI-UHFFFAOYSA-N 368.220 2.516 0 1 FFAF COC(=O)[C@]1(Cc2ccccc2)CC(=O)N1C(=O)N[C@@H](C)c1ccccc1 28474501 BJHWMKKBQRZXLG-BTYIYWSLSA-N 366.417 2.844 0 1 FFAF O=c1cc([C@H]2CCCN(Cc3ccc(-c4csnn4)cc3)C2)nc[nH]1 23191593 UREQVPOXUQBESD-HNNXBMFYSA-N 353.451 2.668 0 1 FFAF C[C@@H]1C(=O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 14447986 YQLKOOGRXMGOOT-GLXKHTEVSA-N 354.358 2.848 0 1 FFAF biogenic O=P(O)(O)[C@@H](CCc1cccc(Oc2ccccc2)c1)S(=O)(=O)O 40405547 MZTGGNAWLSMCLZ-OAHLLOKOSA-N 372.335 2.803 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](NS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 84671945 QLIJDTTVUNSTPX-HLUDHZFRSA-N 368.543 2.760 0 1 FFAF CC(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49088428 SBBDRSPWLDISOC-UHFFFAOYSA-N 362.842 2.821 0 1 FFAF O=C(O)C(=O)N(c1cc(O)ccc1C(=O)O)c1cccc2ccc(O)cc12 43019097 GTXBZCKJDSDNMF-UHFFFAOYSA-N 367.313 2.699 0 1 FFAF COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1 653705293 GHFOPFSNXRAKEW-UHFFFAOYSA-N 356.363 2.559 0 1 FFAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073146 CWNJPZUHPIISCS-UHFFFAOYSA-N 353.817 2.996 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(N)=O)CC2)N1 587744542 CCSPBCYQRQPWBM-CYWKSYIRSA-N 355.251 2.993 0 1 FFAF CN(C)c1ccc(-c2nc3ncc(I)cc3[nH]2)nc1 587194249 BGGKKTPPBKKVKN-UHFFFAOYSA-N 365.178 2.691 0 1 FFAF O=c1c(-c2nc3cnnc(O)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173154 RHEXFTFWXZQTOK-UHFFFAOYSA-N 355.304 2.654 0 1 FFAF CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)NCCc2ccc(O)cc21 963343389 VIKOLFHBDZHJCO-HXUWFJFHSA-N 352.390 2.532 0 1 FFAF CCn1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)n1 962693544 GCKVDEZAJHPZCZ-CZUORRHYSA-N 371.334 2.923 0 1 FFAF Oc1ccc2c(c1)[C@@H](c1c(I)ccnc1F)NCC2 963329383 NOCUNXWUZFQMSO-ZDUSSCGKSA-N 370.165 2.766 0 1 FFAF CNc1nc(-c2nc3cccnc3n2Cc2ccccc2)cn2c(C)nnc12 209377516 ACNYFFICYHWMRO-UHFFFAOYSA-N 370.420 2.934 0 1 FFAF CCNC(=O)c1sc(N2CCOCC2)cc1OCCc1ccccc1 1857761982 DNJWBKNYWWMWEI-UHFFFAOYSA-N 360.479 2.956 0 1 FFAF COc1ccc([C@H](c2ccccc2)N2C(=O)CC[C@@H]2C(=O)O)cc1OC 1645049 AAAGUOJHUURVQP-BEFAXECRSA-N 355.390 2.869 0 1 FFAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@@H](COC)C(C(=O)O)=C3C1 2356369972 WNXJTFWLHDLHTP-DZFIUHNSSA-N 373.497 2.830 0 1 FFAF CC1(CCc2c(O)c3cccnc3n(-c3ccccc3)c2=O)OCCO1 100818137 LDDOPSZHXULJHU-UHFFFAOYSA-N 352.390 2.787 0 1 FFAF Oc1ccc(C(=S)NNC(=S)Nc2cccc(Cl)c2)c(O)c1 103167874 KVTBKDAVZTYVFP-UHFFFAOYSA-N 353.856 2.918 0 1 FFAF CCc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C 28105956 HNHIMUZXGSMXPS-UHFFFAOYSA-N 357.477 2.731 0 1 FFAF Nc1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 28826537 LMWKBTHPJVCDEN-UHFFFAOYSA-N 371.400 2.674 0 1 FFAF C=C=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356672396 IBSJROLODHILHS-SCTDSRPQSA-N 352.434 2.580 0 1 FFAF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1N 40976697 VOZCSSCNJFEMHI-UHFFFAOYSA-N 373.361 2.782 0 1 FFAF COc1ccc(-c2cc(NC(=O)CCCCN3CCOCC3)[nH]n2)cc1 84740982 RPLWNHKGFXWLSL-UHFFFAOYSA-N 358.442 2.526 0 1 FFAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207621 UBCPYEFPYCMDDY-OAHLLOKOSA-N 356.344 2.570 0 3 FFAF CC1=NO[C@H](CNC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1 261116370 IVQNQVKGKQQMLQ-ZDUSSCGKSA-N 365.397 2.615 0 1 FFAF Cc1cc(O)nc(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)n1 299826427 ZXSSNMSRZHBWAU-UHFFFAOYSA-N 357.819 2.775 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587448893 MPPOSPZOSFMAIK-JXFKEZNVSA-N 372.442 2.984 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795353 IOMMLQHKPRRVQE-FVMDXXJSSA-N 372.234 2.860 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCN(C)C1=O)O2 587394803 JBJRJHMOCMHDFR-KKSFZXQISA-N 350.418 2.916 0 1 FFAF CCCCc1cc(=O)oc2cc(OCc3nc4c[nH]c(=N)[nH]c-4n3)ccc12 586919239 XUOKYZBGSOXOBB-UHFFFAOYSA-N 365.393 2.745 0 1 FFAF COCC(=O)Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587563837 XRJDZSWVIIBSID-UHFFFAOYSA-N 354.362 2.900 0 1 FFAF N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1COC1 587255903 TXUNNRDFUHSNKX-MRVPVSSYSA-N 361.037 2.734 0 1 FFAF COC1(OC)CCOC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836877 YJHSWKNPWTVHJE-BMIGLBTASA-N 374.250 2.727 0 1 FFAF CCS(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587782187 HRMQEPUPZXDPBI-UHFFFAOYSA-N 358.419 2.642 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N=c1cc(C)o[nH]1)CC2=O 587470461 NYWRZGKMWLNJGD-IBGZPJMESA-N 358.394 2.816 0 1 FFAF Clc1ccc2c(c1)CCN[C@H]2c1cnc(Cl)nc1N1CCOCC1 963381183 RCGJYHNJSKZKBQ-OAHLLOKOSA-N 365.264 2.855 0 1 FFAF COc1cccc(OC)c1OC(=O)[C@H](c1ccccc1)N1CCOCC1 13864500 CSLVFDOJQMZCMM-SFHVURJKSA-N 357.406 2.683 0 1 FFAF Cc1cc(C)cc(N=c2cc(NC3CCC3)c3ncc(C(N)=O)n3[nH]2)c1 1857648673 KHHOUSOYYOKZNO-UHFFFAOYSA-N 350.426 2.575 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]3C[C@@H]([C@](O)(CO)[C@@H](O)CO)C[C@@]3(C)CC[C@H]12 2356337635 YYLNWEORJBWPMV-NHGFTMMOSA-N 354.531 2.722 0 1 FFAF COc1cc(OC)c([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1OC 4104069 RVSYJYUMWHPOMR-ROUUACIJSA-N 371.389 2.708 0 3 FFAF COc1cc(N[C@@H](C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1 28476995 NSJWPTVJSCPBSB-AWEZNQCLSA-N 356.470 2.992 0 1 FFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)c1ccco1 2356859935 TZVKSWXJWOOGRX-QYZOEREBSA-N 365.477 2.783 0 1 FFAF Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NC3CCOCC3)nc21 71315780 VJXNYZFUSWOVCO-UHFFFAOYSA-N 370.384 2.851 0 1 FFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2cc(Cl)ccc2OC1 1911570641 PZLIPWDZKHAOJV-CYBMUJFWSA-N 371.172 2.681 0 1 FFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](Cl)c1ccccc1 16921919 CWMHUPHLHLCPCS-CVEARBPZSA-N 367.854 2.795 0 1 FFAF biogenic NC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c2cncnc12 144833727 IANWVBSWOAAFOJ-UHFFFAOYSA-N 367.840 2.709 0 1 FFAF COc1cc2c(cc1CC=C(C)C)[C@]1(O)Oc3cc(O)ccc3[C@]1(O)CO2 59729348 ISOLZQOIKIVKTK-RTWAWAEBSA-N 370.401 2.727 0 1 FFAF biogenic O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587602922 JWWPRJAOURXGOE-RFXBSOHPSA-N 364.353 2.689 0 1 FFAF CCOC(=O)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582141 KENFAVFJPNPROQ-UZLBHIALSA-N 369.373 2.955 0 1 FFAF CCOCCCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 587434958 CPIVRENDBZNWMV-SOIKWTOOSA-N 359.466 2.950 0 1 FFAF COc1cc(N)c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(OC)c1 963038555 ZFSMATRZWRPRMQ-XUSGNXJCSA-N 367.449 2.603 0 1 FFAF Cc1cc2c(cc1O)[C@H](c1cc(-c3cccs3)nn1C)N[C@H](C(=O)O)C2 963523406 HRPUCKWPDSCVOO-KBXCAEBGSA-N 369.446 2.851 0 1 FFAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2c1ccc[n+]2[O-] 1772616816 BWSDZSHYAHYYLT-ZDUSSCGKSA-N 353.205 2.728 0 1 FFAF COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 5999110 MHXCIKYXNYCMHY-BXTJHSDWSA-N 360.406 2.654 0 1 FFAF biogenic,in-vitro CCOC(=O)/C=C1/C(=O)N(C(=O)OCC)c2ccc(Br)cc21 169328909 BVEGKUKTIGODBX-DHZHZOJOSA-N 368.183 2.899 0 1 FFAF NC(=O)c1c[nH]c2cc(F)c(-c3cccnc3)cc2c1=NC1CCOCC1 1857592832 SSDIRQKLGUFBIG-UHFFFAOYSA-N 366.396 2.548 0 1 FFAF CCOC(=O)CCc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O 766649 JCRSCJRYTRCSHB-ZIAGYGMSSA-N 372.469 2.829 0 1 FFAF COC(=O)[C@]12CCC[C@]3(OC)C=CCN(CCc4c1[nH]c1ccccc41)[C@@H]32 2356374943 KVLQNTRAADGZNE-ILWGZMRPSA-N 366.461 2.944 0 1 FFAF COc1cc2c(cc1O)[C@H]1C(=O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 2356441802 FTUQYTBHWUCZQR-AEFFLSMTSA-N 353.374 2.639 0 1 FFAF COc1cc(-n2c(-c3ccccc3)cn(C(C)=O)c2=O)cc(OC)c1OC 29130365 UIAVBXFHPNFXJV-UHFFFAOYSA-N 368.389 2.992 0 1 FFAF Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2CCN2CCOCC2)cc1 20213426 RZHFQDMWIQFFGZ-FQEVSTJZSA-N 351.450 2.894 0 3 FFAF O=C1c2ccccc2O[C@@H](CCN2CCOCC2)CN1Cc1ccccc1 26278425 ZXWVERUXDGSJGM-IBGZPJMESA-N 366.461 2.812 0 1 FFAF COc1ccc(OCCCN2CCN(c3ccc(Cl)nn3)CC2)cc1 34423054 SYTORMJGKJSEBQ-UHFFFAOYSA-N 362.861 2.730 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)[C@H]2C(=O)N3)cc1 15708880 SRTYLZFQJNRSFK-RDJZCZTQSA-N 353.447 2.569 0 1 FFAF biogenic O=C1NCCN1c1ccc(S(=O)(=O)Oc2cccc(Cl)c2)cc1 72108520 STHJDLWVEMBTGO-UHFFFAOYSA-N 352.799 2.637 0 1 FFAF CC(=O)NC[C@H]1CCC2(CCN(c3nccc(C4CCCC4)n3)CC2)O1 71764724 KOZBZARUZDJFHX-QGZVFWFLSA-N 358.486 2.788 0 1 FFAF CCCCOCCOc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1 45335758 LDARFJWFCBYLPJ-UHFFFAOYSA-N 350.440 2.924 0 1 FFAF CN1CCN(c2ccc(Nc3ncc(N)c(NC4CCCC4)n3)cc2)CC1 144873692 GFYYZWRCSFQYGB-UHFFFAOYSA-N 367.501 2.909 0 1 FFAF COc1cc(OC)c2c(C)c(C(=O)NCc3ccccc3)oc2c1C(N)=O 96933646 WMPZVYUOXMSPQS-UHFFFAOYSA-N 368.389 2.787 0 1 FFAF Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)n(CCO)c2cc1C 230561823 SNAZFULXPXUFDR-UHFFFAOYSA-N 366.417 2.951 0 1 FFAF O=c1ccn(CCCCCOc2ccc(Br)cc2)c(=O)[nH]1 96906997 OZMQRTVBPLSDQW-UHFFFAOYSA-N 353.216 2.548 0 1 FFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@]12O 255220839 JDRASYJDBQMJOH-UVSIJDHLSA-N 350.499 2.683 0 1 FFAF CCOC(=O)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582140 KENFAVFJPNPROQ-OXQOHEQNSA-N 369.373 2.955 0 1 FFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1 586913606 REAQCHGEJLQRBE-GFCCVEGCSA-N 373.434 2.876 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)[nH]c(=N)n1 587868857 UZPZRKGUPYCWDX-UHFFFAOYSA-N 370.722 2.818 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CO)on2)N1 587793178 KDCUWUBYNATDFY-AYVTZFPOSA-N 355.207 2.866 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587432603 XCWHHRIQUDGPDV-LHSJRXKWSA-N 362.385 2.624 0 1 FFAF CN1CCN(c2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)CC1 587781911 FROBZWUUROWECI-UHFFFAOYSA-N 364.449 2.601 0 1 FFAF Cc1cc(F)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 586931988 RHYCPYKEBLGFCT-UHFFFAOYSA-N 363.414 2.840 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(F)c3[nH]2)cc1 586947405 XOZLIJVYNSCBKU-UHFFFAOYSA-N 351.378 2.534 0 1 FFAF CC(C)OC(=O)c1ncccc1[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905264 PEHYGIPTCVZTFD-OXJNMPFZSA-N 372.396 2.648 0 1 FFAF COCOc1ccc([C@]2(O)Oc3cc(OCOC)ccc3[C@@H]2C)c(O)c1 5854100 AFZNGIUUSDOHOB-HXPMCKFVSA-N 362.378 2.699 0 1 FFAF C[C@@H]1C(=O)N(c2nccs2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443250 KVRRIYWBMBXQKV-AEGPPILISA-N 357.435 2.906 0 1 FFAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@@H]1CCCCN1 169302636 LNOUDWPQEHYKOB-HOTGVXAUSA-N 360.408 2.786 0 1 FFAF CCOc1ccc(CNC(=O)n2sc3ncccc3c2=O)cc1OC 169711343 BLOYMFKUTBXZFT-UHFFFAOYSA-N 359.407 2.623 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3CCC(=O)N23)OCO4)cc1 1856972 MREHBXFNHVGEBG-CDHQVMDDSA-N 353.374 2.551 0 1 FFAF Cc1cc(C)n(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 3209467 MXDDUMHXOMXCTO-HNNXBMFYSA-N 367.858 2.647 0 3 FFAF Nc1ncc2c(n1)C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 58540948 LDYUPYYVZJQEQS-ABAIWWIYSA-N 364.858 2.553 0 1 FFAF CC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100965744 HCMZTUUUKUXOFC-IYBDPMFKSA-N 351.358 2.887 0 1 FFAF c1ccc(COC2(OCc3ccccc3)C[C@@H]3O[C@@H]2[C@@H]2N=NN[C@@H]32)cc1 105494470 USZKXDLHMKNUDS-INDMIFKZSA-N 351.406 2.995 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CN)n1 2356816548 DCKBBOCQTCSAEI-QXAKKESOSA-N 351.498 2.655 0 1 FFAF CN1CCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 139371627 MMGLONZJABWBLI-UHFFFAOYSA-N 374.492 2.771 0 1 FFAF NCCC(=O)N1CCc2c([nH]c3ccc(F)cc23)[C@@H]1c1cccc(O)c1 45337372 UPRAPYOVWHBPCL-FQEVSTJZSA-N 353.397 2.836 0 1 FFAF O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 45372660 ROBGGBFLUNTBTH-IYWMVGAKSA-N 369.417 2.664 0 1 FFAF COc1cc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc(OC)c1 45196300 YYZQHQYNTSUHCG-UHFFFAOYSA-N 356.382 2.990 0 1 FFAF COc1ccc(CCCN[C@H]2CCCC[C@@H]2N2CCOCC2)cc1OC 142261631 VCXYAFYYEPQPBY-OALUTQOASA-N 362.514 2.869 0 1 FFAF CCC(=O)N1[C@@H]2CN(C(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO 95894358 HLIDLPOCEKCMCM-HBFSDRIKSA-N 368.408 2.551 0 1 FFAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 618016997 DGPYHUBZHJLEGP-VIFPVBQESA-N 366.336 2.578 0 1 FFAF COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(O)c3C2=O)cc1O 473123939 MPESWUJJECCEJX-NSHDSACASA-N 360.362 2.558 0 1 FFAF Cc1cc2nc(CCNC(=O)c3cccc(-n4cnnc4)c3)[nH]c2cc1C 299856585 CUZIZLPPDPZKFU-UHFFFAOYSA-N 360.421 2.733 0 1 FFAF O=c1c2cccnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 653735491 SAMJQPAXJHTPPP-UHFFFAOYSA-N 367.796 2.661 0 1 FFAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccccc2[nH]1 586946449 QINJFYLHHJXAIW-AWEZNQCLSA-N 371.462 2.996 0 1 FFAF N[C@@H](Cc1ccc(I)cc1)c1nc2cnccc2[nH]1 587184896 HERDOQYSCGTMJH-NSHDSACASA-N 364.190 2.805 0 1 FFAF O=S(=O)(Cc1ccccc1-c1nc2cnncc2[nH]1)c1ccccc1 586922068 PWFDNDGLDFIRBI-UHFFFAOYSA-N 350.403 2.994 0 1 FFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519250 WVTQMVZJIYPUCM-YZHKUDHRSA-N 369.461 2.925 0 1 FFAF COc1ccc2c(c1)OCC[C@@H]2[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963473267 SNMISERFLDSARU-RIFZZMRRSA-N 369.417 2.916 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(C2)N[C@H]2Cc4c3ccnc4C2=O)C1 963290135 UIJFIIJMKQLSGF-JHVJFLLYSA-N 369.465 2.799 0 1 FFAF CO[C@]1(C)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169329943 QTGPFHRVNUSSMG-HXUWFJFHSA-N 365.437 2.801 0 1 FFAF COc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1OC 169726070 GTMBZEOBOHHWJK-GOEBONIOSA-N 352.415 2.935 0 1 FFAF N#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 204977152 HXAPBPDFLXXIAB-LKFCYVNXSA-N 363.780 2.619 0 1 FFAF COc1cc(NC(=O)Nn2c(C)nc3sccc3c2=O)cc(OC)c1 1857753295 OQIXAGWZIBBQJA-UHFFFAOYSA-N 360.395 2.559 0 1 FFAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2cnccc2[nH]1 2356441240 LDEGOYLUSKGGRL-HUUCEWRRSA-N 365.437 2.508 0 1 FFAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(O)c(OC)c2)N1 3136032 BGCTZYDFAWJFDE-QAPCUYQASA-N 352.390 2.659 0 1 FFAF CCOc1cc2c(cc1OC)CCN1C[C@H](CC)[C@@]3(CNC(=O)O3)C[C@@H]21 29221772 FTAXMOSMLPNDHE-UVFQYZLESA-N 360.454 2.902 0 1 FFAF CC1(C)OC(=O)C(Oc2ccncc2)=C1c1ccc(S(C)(=O)=O)cc1 26850314 KSFXYDRCNSJZCV-UHFFFAOYSA-N 359.403 2.611 0 1 FFAF COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)NCC3 6017807 QIWWOPQLJARYLV-ZDUSSCGKSA-N 357.406 2.837 0 1 FFAF biogenic C[C@@H]1c2nnn(-c3ncccn3)c2CCN1C(=O)c1ccc(Cl)cc1F 225992556 YQGQAZLRHHTSGD-SNVBAGLBSA-N 372.791 2.609 0 1 FFAF CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(S(C)(=O)=O)C2 1911575971 WQEVIVDRGVUEPK-ZMLPJBHDSA-N 360.523 2.882 0 1 FFAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)cs1 82069668 PUZKMGFABMRLEO-AWEZNQCLSA-N 373.478 2.739 0 1 FFAF C[C@H]1C[C@@H](C)C[C@H](O)[C@H]1[C@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 254076655 JPYMPXICULCYPW-SPUDWWFNSA-N 359.466 2.750 0 1 FFAF CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CC1 618013213 OAZKIMIHMNJQAJ-WWNBULGVSA-N 372.513 2.623 0 1 FFAF O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 653680467 PQOKBQCVPUXWDC-FQLMCAECSA-N 368.481 2.902 0 1 FFAF NCCOCCOCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587245660 CDKXBHRJEHXFSG-UHFFFAOYSA-N 355.438 2.676 0 1 FFAF CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587956097 TYRMHXHMYBSPIX-UHFFFAOYSA-N 364.345 2.900 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=N)N)cc3[nH]2)CCC(=O)CC1 587234312 JGQFVEWBTWJBDI-UHFFFAOYSA-N 371.441 2.710 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(N(C)C)CC2)N1 587767697 JYKTVQWBZBHXPS-NSHDSACASA-N 356.283 2.890 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587177470 YEODVIRIUPYIPG-UHFFFAOYSA-N 368.821 2.592 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN2[C@@H]3C[C@H](O)C[C@H]2C[C@@H]1C3 587481580 GURCSVRSFJMPLK-LLUXACTFSA-N 357.450 2.666 0 1 FFAF COc1cc2c(cc1OC)[C@H](c1cnc(SC)nc1N)N(C)[C@H](C)C2 962625333 MZLFHCXSPLRKSC-QLJPJBMISA-N 360.483 2.764 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=CC=CN3C=CN[C@@H]13)N(C)[C@H](C)C2 962617273 BZKZTJQXKINKDY-IFZYUDKTSA-N 353.466 2.952 0 1 FFAF COC[C@@](C)(NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1 1772641362 VXRJRTIZGSRXKF-GOSISDBHSA-N 355.398 2.650 0 1 FFAF COc1ccc(-c2nn3c(c2C(N)=O)NCC[C@@H]3c2ccccc2N)cc1 1772651817 MBXBWLLSTVFGIE-MRXNPFEDSA-N 363.421 2.645 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 169714748 MUMURSDPJHXUQI-NVXWUHKLSA-N 361.394 2.585 0 1 FFAF COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1ccccc1 3589011 XQJJLJLOUMYMST-GUYCJALGSA-N 353.374 2.686 0 1 FFAF CC(C)NC(=O)C[S@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 28468751 TVJWNQXHBUULSP-ICKUNSISSA-N 370.946 2.649 0 1 FFAF CN(CCO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289062 FJHAVJDRZOHMAT-UHFFFAOYSA-N 374.242 2.959 0 1 FFAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4nnn[nH]4)cc3)c1C2 28954373 NDAAHSGATZAMOW-UHFFFAOYSA-N 360.377 2.845 0 1 FFAF in-vitro CC=C1[C@H]2CCN[C@H]1[C@@]1(CC)C(=Nc3ccccc31)[C@@]2(CO)C(=O)OC 2356510547 CTIFWXHLJCBKTR-LPNJYYIDSA-N 354.450 2.510 0 1 FFAF Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1Oc1ccc(Br)cc1 29556987 JBKFPCICCUHONT-UHFFFAOYSA-N 374.194 2.784 0 1 FFAF O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)O[C@@H](CCO)CC3 2356665487 IEYZRXXFPOGRTP-GFCCVEGCSA-N 370.357 2.653 0 1 FFAF Cc1ccc2c(CN3CCN(C4=CC=C[CH]N4)CC3)cc(=O)oc2c1C 2356816833 QOCMKFKMRFGYHU-UHFFFAOYSA-N 350.442 2.690 0 1 FFAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1 66251869 DQHFFFCZUKEEDS-SFHVURJKSA-N 360.410 2.927 0 1 FFAF COc1cc2c(cc1O)CCN(C)[C@@H]2[C@@H]1OC(=O)c2c1ccc1c2OCO1 14414497 IDRRBLYLLIIGSH-ZWKOTPCHSA-N 369.373 2.570 0 1 FFAF biogenic Cc1cc(-n2cccn2)ccc1CN1CCN(CC(C)C)[C@H](CCO)C1 38149510 NFZRURYVUIYHEA-OAQYLSRUSA-N 356.514 2.705 0 3 FFAF CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1CO2)OCO4)OCO3 14513939 JGUHXZNEJZIAFG-FQEVSTJZSA-N 353.374 2.558 0 1 FFAF biogenic CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 36378677 XWCKAUWZNDOCDX-OPTDIUSFSA-N 352.471 2.895 0 1 FFAF C[C@@H](c1nc2ccccc2[nH]1)N(C(=O)C1=NNC(=O)CC1)c1ccccc1 199395946 WCBLAUFSPXLFFH-ZDUSSCGKSA-N 361.405 2.923 0 3 FFAF Cc1cc(NC(=O)c2ccc3cc4n(c3c2)CC(F)(F)CNC4=O)no1 147852856 MEDOCVPCDFJXKR-UHFFFAOYSA-N 360.320 2.569 0 1 FFAF COc1cc([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 98085789 FLHMFQZNJJPWBH-QTUIHCGYSA-N 364.438 2.621 0 1 FFAF O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1 142852494 FZKLAHBCRAGPPC-UHFFFAOYSA-N 350.378 2.850 0 1 FFAF COc1cc2[nH]c3c(c2cc1C)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C 653845335 OYPMFJQCOUWFGF-AFAVFJNCSA-N 369.465 2.844 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1O)[C@@H](C2)C3=O 587424423 YSQXLEOUWUSMFT-SDBXPKJASA-N 354.284 2.642 0 1 FFAF CN1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(F)(F)F)N1 587502326 DRVWGPAPVMTZGQ-KMFMINBZSA-N 354.372 2.896 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587175998 DVZFNOWQDQGUSX-UHFFFAOYSA-N 356.382 2.903 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587156938 CRQFTEOKRGALBN-UHFFFAOYSA-N 370.203 2.930 0 1 FFAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(O)nc(S)nc2[nH]1 587109669 RQTVLAOSPCPMMQ-UHFFFAOYSA-N 356.285 2.731 0 1 FFAF O=C1COc2cc3[nH]c(-c4cn(-c5ccc(Cl)cc5)nn4)nc3cc2N1 587076328 PXWRXWYHDZYTTJ-UHFFFAOYSA-N 366.768 2.795 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)ccnc3[nH]2)cc1 586924814 ASIFMYYDBZDKOK-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF Cc1cncc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202192 GKFBWIOVULEHMJ-ZDUSSCGKSA-N 354.366 2.709 0 1 FFAF Cc1n[nH]cc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138392 HRWCBIPURLUOIT-VXGBXAGGSA-N 364.427 2.510 0 1 FFAF C[C@]1([C@@]2(C)CCCO2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636115 OZWWTKDOFMGPHV-XZJROXQQSA-N 359.344 2.968 0 1 FFAF CCn1cc(Br)c([C@]2(C)NCCc3nc4ccccn4c32)n1 962989297 ZMQINXKDLQBRNR-INIZCTEOSA-N 360.259 2.722 0 1 FFAF CCCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1772645065 AXCAEKNVLVHEQJ-UHFFFAOYSA-N 361.405 2.918 0 1 FFAF CCc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 13445847 USLXEJHBBSQMLD-UHFFFAOYSA-N 366.417 2.743 0 1 FFAF COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O 13560156 VNNMLVMVVPXAQV-UHFFFAOYSA-N 374.481 2.715 0 1 FFAF Cc1cc2nccn2c2sc(C(=O)N[C@@H]3Cc4cccnc4C3)c(N)c12 1857562696 CJRABJQHOMPBQD-GFCCVEGCSA-N 363.446 2.732 0 1 FFAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)[C@@H](CO)OC2=O)cc1 1857773841 LCMPXRZYTONWNC-QGZVFWFLSA-N 356.374 2.541 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 770894 HMZKVCJGKRCXJV-MJGOQNOKSA-N 370.405 2.629 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NCc2cnc3ccccc3c2)cc1 2356287370 HVLAZSKFCJBSJA-JKLQHZFJSA-N 364.445 2.611 0 1 FFAF O=c1c(NCc2ccc3c(c2)OCO3)nccn1-c1ccc(F)c(F)c1 10273199 DDLGXPUVPJWCDJ-UHFFFAOYSA-N 357.316 2.852 0 1 FFAF CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@H](C(C)(C)O)O3)O2)O1 26148480 RWTJAWXRNLZFQP-LWDKGXHOSA-N 356.503 2.951 0 1 FFAF NCC1(CC(=O)OCCOC(=O)CC2(CN)CCCCC2)CCCCC1 26571437 XVDOPNDINKCNQH-UHFFFAOYSA-N 368.518 2.671 0 1 FFAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(C)[C@@]15[C@@H]2C)[C@@H]43 2356460384 SKCXCVICRJKXBC-CRYBVNICSA-N 350.462 2.586 0 1 FFAF O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356566219 CMJGAYUQSLJSCR-CQSZACIVSA-N 352.342 2.943 0 1 FFAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356776696 JHBBZIAPXDEPET-RZCSTDKDSA-N 350.499 2.537 0 1 FFAF COc1cc(C)c2c3c(c(O)c4c2c1[C@](C)(O)C4=O)C(C)(C)[C@@](C)(O)O3 2356801892 RTQXOIUEMIKKMN-PMACEKPBSA-N 358.390 2.645 0 1 FFAF CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1 42922611 BGKKQDRMVVBUET-UHFFFAOYSA-N 350.894 2.608 0 1 FFAF CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 142060411 LTWZOXXGMBQDHB-OAHLLOKOSA-N 361.409 2.572 0 1 FFAF COc1cc([C@@H]2C[C@]2(CO)C(=O)Nc2ccccc2)cc(OC)c1OC 95595159 QOJRMWXYWWUAQY-MGPUTAFESA-N 357.406 2.817 0 1 FFAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N(C)C(=O)C(C)C)c2)nc1 143711695 IPHDWHHBIVDHRN-HNNXBMFYSA-N 369.465 2.786 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)C[C@@H]3O 85944440 IBXMDNCFGSBKCQ-STQMWFEESA-N 357.406 2.661 0 1 FFAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H]3CCOC3=O)c1)O2 587411760 KCKPAZYZTNKIQL-QZTJIDSGSA-N 353.374 2.978 0 1 FFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(=N)N)cc3[nH]2)cs1 587014266 NQKAWPWDXLDXPR-UHFFFAOYSA-N 372.454 2.995 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587230490 HFEHEFNUPINLNU-NWDGAFQWSA-N 350.850 2.956 0 1 FFAF COc1cc2c3c(c1)O[C@](CC[C@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587431323 FPVCRVDVJQGUCY-CKJXQJPGSA-N 367.401 2.530 0 1 FFAF O=C(COc1ccc([C@H]2NCCc3ccc(O)cc32)cc1)N1CCCC1 963328180 DFHQCBBUAFPOJU-OAQYLSRUSA-N 352.434 2.629 0 1 FFAF CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)O 100038188 IQSFEAHJUMVILC-OUMXFNKQSA-N 370.449 2.612 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1 13538274 MKNYKEVPTYCNNR-AWEZNQCLSA-N 369.473 2.784 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1 13819467 BKTQIZMNIGSJKP-CQSZACIVSA-N 370.457 2.908 0 1 FFAF COc1cc(OC)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)n1 169351455 FGQNUONRZTVZNW-CQSZACIVSA-N 353.350 2.551 0 1 FFAF NC1=N[C@@H](CCc2ccc(Nc3ncc(Br)cn3)cc2)CO1 169701186 DWTZJEKWYKXWPB-ZDUSSCGKSA-N 362.231 2.629 0 1 FFAF CN1CCN(c2ccc(-c3cc4c(Cl)cccc4c(=O)[nH]3)cn2)CC1 204919676 LXGJXBNLJBEOLE-UHFFFAOYSA-N 354.841 2.995 0 1 FFAF CCOC(=O)CSc1nnc(Cc2ccccc2)n1C[C@@H]1CCCO1 904425 DWEODNPTNPKGAK-HNNXBMFYSA-N 361.467 2.703 0 3 FFAF O=C([C@H]1CCCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCSC1 26187726 QZYIRGJJFRDKBY-CRAIPNDOSA-N 358.507 2.706 0 1 FFAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](NC(=O)c2cccc3ccccc23)C1 27988552 WLQMEUCBATXXEH-QKLQHJQFSA-N 365.477 2.688 0 1 FFAF CN1C(=O)C(NCCc2ccc(F)cc2)=C(c2c[nH]c3ccccc23)C1=O 64417333 ZMFZFJWHLKXBDK-UHFFFAOYSA-N 363.392 2.849 0 1 FFAF Cc1cc(=O)c2c3c(c4c(c2o1)[C@@H](O)[C@H](O)C(C)(C)O4)C=CC(C)(C)O3 13404283 FJUWPFOBWFPQGG-KDOFPFPSSA-N 358.390 2.851 0 1 FFAF biogenic COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 15148300 ZAVWGRCRKSHIMO-OALUTQOASA-N 355.390 2.676 0 1 FFAF biogenic O=C(c1cnc(NC2CCCC2)nc1-c1ccccc1)N1CCOCC1 82132370 IURYAERFOMJFMT-UHFFFAOYSA-N 352.438 2.971 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1cccnc1 49110376 FPYSFTPLUFNAKW-GJZGRUSLSA-N 368.824 2.518 0 1 FFAF CC[C@@H]1C[C@@H]2N3CC[C@]4(O)C(=Nc5ccccc54)[C@]2(C(=O)OC)C[C@@H]1C3 238748928 PEZABKYVKVIQFY-XSVYTKKDSA-N 354.450 2.644 0 1 FFAF N=C(Nc1ccc2c(c1)CCCN2CCCNCCO)c1cccs1 95552455 XRXMFXYNMHVIGE-UHFFFAOYSA-N 358.511 2.910 0 1 FFAF C=C=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@@H](CO)C(=O)OC 238762457 IBSJROLODHILHS-YQVWRLOYSA-N 352.434 2.580 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccccn2)CC1 299815677 XFIGGKNEKYAMSF-BKZIPGMISA-N 367.449 2.610 0 1 FFAF c1cc2ccc1CNc1cc[n+](cc1)CCOCC[n+]1ccc(cc1)NC2 299826487 LZKIZNWRJKELIT-UHFFFAOYSA-P 362.477 2.516 0 1 FFAF O=C(N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)C(=O)O)OCc1ccccc1 587204178 VJVHOLYDTRRIOL-LBPRGKRZSA-N 374.784 2.533 0 1 FFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cncn1 587391849 OYJKXPQKIOULLG-LJQANCHMSA-N 364.405 2.932 0 1 FFAF N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1COC1 587255551 KOVMDFUGVXXRTA-SECBINFHSA-N 350.138 2.990 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587057485 ACFPCZSBWGJZLF-HNNXBMFYSA-N 365.842 2.548 0 1 FFAF Cc1c(I)cnn1[C@H](C)c1nc2cc(F)cnc2[nH]1 587182236 NIHIBAQKUBOWCZ-SSDOTTSWSA-N 371.157 2.816 0 1 FFAF CC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 586932054 UKEBIGANFVYTFC-UHFFFAOYSA-N 373.434 2.595 0 1 FFAF O=S(=O)(CCc1nc2ccc(CCO)cc2[nH]1)c1ccc2c(c1)CCC2 586921490 AYAJSCCZPKEFSP-UHFFFAOYSA-N 370.474 2.603 0 1 FFAF CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=S)NN 958021770 OZRWODCINGJIJL-UHFFFAOYSA-N 351.453 2.761 0 1 FFAF C[C@]1(c2c(N)cccc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232442 NRDILSZVMYHUPN-PXNSSMCTSA-N 351.381 2.819 0 1 FFAF CC(=O)NCc1ccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963019755 FJOFDYRNTLQKHG-ZUOKHONESA-N 369.490 2.701 0 1 FFAF COc1cc2c(cc1OC)[C@@H](c1cnc(SC)nc1N)N(C)[C@@H](C)C2 962625332 MZLFHCXSPLRKSC-QFYYESIMSA-N 360.483 2.764 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(C=C(C(F)F)OC(C(F)F)=C2)N1 962909471 MPAGUMMRXLJKNO-VIFPVBQESA-N 361.266 2.948 0 1 FFAF O=C1NCN([C@H]2CC[C@H](CN3CC[C@@H](F)C3)CC2)c2c1c[nH]c1nccc2-1 1772573090 QXACWYBLWOLTDJ-RBSFLKMASA-N 371.460 2.624 0 1 FFAF CC(=O)OCC[S@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584846 ZUHFHBFMBYNBLT-QDOIMOTRSA-N 357.903 2.687 0 1 FFAF COCc1ccc(C)c2c1C(=O)[C@H](OC(C)=O)[C@@H](C(C)(C)OC(C)=O)C2 15151092 CIKRUAPTDKFNSL-QFBILLFUSA-N 362.422 2.770 0 1 FFAF biogenic,in-vitro CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(/C)CC/C=C(\C)CC[C@H]32)CC1 169367876 MBHDDUWLICMNCR-NLEZHOBBSA-N 360.498 2.775 0 1 FFAF CC(C)OCCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167488722 KAPCAXRXFUTEKS-UHFFFAOYSA-N 368.437 2.784 0 1 FFAF CCCCNC(=O)c1c(NC(=O)COc2ccccc2)nc2ccccn12 1857575978 UPIKEBTXJOEEFF-UHFFFAOYSA-N 366.421 2.882 0 1 FFAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)o1 1857770056 QTWIOCLYEVHSLI-UZLBHIALSA-N 363.417 2.638 0 1 FFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CF)nc12 6718850 XLBLTGCZHQLTHS-UHFFFAOYSA-N 369.379 2.992 0 1 FFAF NC(=O)C[S@@](=O)[C@@H](c1ccccc1)c1cccc(Br)c1 103246729 UHAPVHXNAHJXQO-YWZLYKJASA-N 352.253 2.773 0 1 FFAF CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103215072 YFTUQUCGVBYSGB-SMDDNHRTSA-N 354.838 2.995 0 1 FFAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccccn2)O3)S1 26968665 AMTQQJLWTMFLBO-RDJZCZTQSA-N 354.431 2.912 0 1 FFAF O=c1ccc(-c2ccccc2)nn1CCNC(=S)Nc1ccccc1 27212522 WGSFJMNZSXPOLC-UHFFFAOYSA-N 350.447 2.897 0 1 FFAF COc1ccc([C@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@H]32)OCO4)cc1OC 26851869 REJMVOGSTMMWHW-ZNZDAUKMSA-N 369.373 2.532 0 1 FFAF CC=C1CNCC[C@@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@@H]3C(=O)OC 2356569126 IWHCGBPCBYWRBB-CJXUKZFBSA-N 368.477 2.666 0 1 FFAF CCOC(=O)CCN1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 26850495 DBQZRVQSIMTCRY-HZPDHXFCSA-N 353.846 2.872 0 1 FFAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 14765555 MAGPJVVGBCSWPF-HNNXBMFYSA-N 357.406 2.779 0 1 FFAF biogenic CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 45286489 WSFPEOPUUJFNEF-LNRXMEIDSA-N 371.569 2.967 0 1 FFAF O=C(O)CCC(=O)N1CCc2c(n(Cc3ccccc3)c3ncccc23)C1 1911570412 DPIAUOVJFHOQRJ-UHFFFAOYSA-N 363.417 2.834 0 1 FFAF O=C(NCc1ccccc1[S@](=O)c1ccccc1CO)C(F)(F)F 45303065 QXLRKZZDHOMFSQ-XMMPIXPASA-N 357.353 2.524 0 1 FFAF COc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(OC)n1 49538467 MSTAYHPMRRUSJE-SECBINFHSA-N 365.821 2.727 0 1 FFAF CC(C)N1CCCC[C@@H](NC(=O)c2ccc(Br)cc2)C1=O 199718903 QOOPGRZGFRPRAM-CQSZACIVSA-N 353.260 2.968 0 3 FFAF CC(C)NC(=O)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccc3ccccc3n2)C1 299842290 FORATGYRGRHDRG-FFZOFVMBSA-N 353.466 2.739 0 1 FFAF COC(=O)c1ccnc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc12 586914214 WXSKAGZEZOFLLE-UHFFFAOYSA-N 353.378 2.547 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586920832 RUGWCHPICNWBIP-UHFFFAOYSA-N 371.340 2.959 0 1 FFAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587026995 LQSWQDRGRKGXKK-UHFFFAOYSA-N 374.447 2.826 0 1 FFAF CCN(CC)c1ccc(-c2nn(C(=N)O)c(=O)c3ccccc23)c(O)c1 587665466 PYYQQNZBQTVSOC-UHFFFAOYSA-N 352.394 2.956 0 1 FFAF COC(=O)c1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cn1 587117706 UZYCOCIREBAOHW-UHFFFAOYSA-N 359.695 2.817 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cncc(Br)c2[nH]1 586961244 GQWVSMHAMQUWBA-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccccc2[nH]1 586946450 QINJFYLHHJXAIW-CQSZACIVSA-N 371.462 2.996 0 1 FFAF C[C@]1(c2c(N)cccc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232445 NRDILSZVMYHUPN-XLIONFOSSA-N 351.381 2.819 0 1 FFAF COC1=CN(c2ccc(F)cc2)C(CO)=C[C@]12NCCc1c(C)ccnc12 963064595 BCEXOYYHOVBUAZ-NRFANRHFSA-N 367.424 2.754 0 1 FFAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ncccn2)N1 963168112 FZXZBLPFMDVBLG-CABZTGNLSA-N 357.719 2.837 0 1 FFAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(=O)OC)CCC2 14966524 CQONVFYJFFOPQX-UHFFFAOYSA-N 369.469 2.576 0 1 FFAF CCN(CC)CC(=O)Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 169338238 OLUXLGVTBBWECY-OAQYLSRUSA-N 351.450 2.729 0 1 FFAF Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)s1 208948419 MVEPOHGJXQNVFV-UHFFFAOYSA-N 351.439 2.834 0 1 FFAF N#CN1CC[C@@H](NC(=O)c2ccc(-c3c[nH]nc3C(F)(F)F)cc2F)C1 1857558226 IPXOEJLZCIZKQP-SNVBAGLBSA-N 367.306 2.520 0 1 FFAF CO[C@@H]1CC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857757673 JDHUWVSIHYESBZ-HUUCEWRRSA-N 374.387 2.681 0 1 FFAF COc1ccc(N(C)C(=O)c2c(O)c3c(OC)cccc3n(C)c2=O)cc1 101475394 RXVKFTKSEGTNHB-UHFFFAOYSA-N 368.389 2.538 0 1 FFAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N1CCCC1)C3 27742369 NVKXEASZAMIQAR-AWEZNQCLSA-N 372.465 2.653 0 1 FFAF O=S(=O)(c1ccccc1F)c1cn([C@H]2CCCNC2)c2ncccc12 28862357 RBISNFWRLAJWTP-ZDUSSCGKSA-N 359.426 2.933 0 1 FFAF Cc1ccc(C)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1 116822794 ZSFLBBUZWXXXKC-HDICACEKSA-N 350.466 2.919 0 1 FFAF Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@@H](c1ccccc1)C3 28871426 OAGUCUHDIIWNIE-QGZVFWFLSA-N 363.461 2.946 0 1 FFAF COC(=O)[C@H](CO)[C@H](O)CCCC[C@H](C)CC(C)=CC(C)=CC(=O)O 2356711377 WKPLWDFQTVJLIX-IAOVAPTHSA-N 356.459 2.693 0 1 FFAF Cn1c2cc(C(=O)O)sc2c2cnn(Cc3ccccc3F)c(=O)c21 36380243 WCOKZAANTSFGNG-UHFFFAOYSA-N 357.366 2.835 0 1 FFAF COc1cc(-c2oc3c(C)c(O)c(OC)c(O)c3c(=O)c2OC)ccc1O 14437990 LKMJVLAOXQAMCD-UHFFFAOYSA-N 374.345 2.911 0 1 FFAF biogenic Nc1n[nH]c2nc3scc(-c4ccc(Br)cc4)n3c(=O)c12 49089049 PXQUBCNCTQHDNS-UHFFFAOYSA-N 362.212 2.644 0 1 FFAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4coc(C)n4)C3=C2)cn1 149174751 CKGJMPDTCMOZRO-UHFFFAOYSA-N 373.416 2.841 0 1 FFAF CCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2nc(C)nc12 147862689 HXQCURDPVMRVTF-UHFFFAOYSA-N 358.409 2.564 0 1 FFAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O 144315224 XSTMCTGXVAPZAT-QMMMGPOBSA-N 350.371 2.654 0 1 FFAF O=C(Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@H](O)CO 95575432 OATWERQKYPGQRR-GOSISDBHSA-N 368.364 2.972 0 1 FFAF Cn1c(=O)c2c(cc(/C=C/c3ccc(Br)cc3)n2C)n(C)c1=O 95596672 KXIAPZBSMUEUCE-RMKNXTFCSA-N 374.238 2.509 0 1 FFAF Cc1cc2nc(SCC(=O)N3CCCC3)n(Cc3ccco3)c(O)c-2n1 299850963 QSJVCUWFRMJMTE-UHFFFAOYSA-N 372.450 2.753 0 1 FFAF Cc1c(O)nc(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1C 299828149 RYLAQALHOUHXOC-UHFFFAOYSA-N 371.481 2.869 0 1 FFAF COc1cc2c3c(c1)O[C@]1(c4ccoc4CC[C@H]1CC(=O)O)[C@@H](C2)C3=O 587454981 HHVOWLGGWAVUHC-UHBVIIIMSA-N 354.358 2.968 0 1 FFAF N=c1[nH]ccc2nc(-c3cc(I)ccc3F)[nH]c12 587182097 FDEZTZCBGSZZQO-UHFFFAOYSA-N 354.126 2.781 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3cnc4ccccc4c3[nH]2)cc1 586947141 USCDKVCOPPLFIX-UHFFFAOYSA-N 366.446 2.804 0 1 FFAF CC(C)(CC(=O)O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587956379 ZBLNXVYIYKSXKA-UHFFFAOYSA-N 355.398 2.666 0 1 FFAF COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584422 XUTAZUIYGMLBTP-MRXNPFEDSA-N 369.373 2.955 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 586967501 ACIKUQOJJCZRMB-UHFFFAOYSA-N 354.391 2.686 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(Cc4cscn4)CC1)[C@@H](C2)C3=O 587452422 MVXZCWJUXKHGPJ-HNNXBMFYSA-N 356.447 2.934 0 1 FFAF Cc1sc2c(c1C)CCN[C@@]21C(=O)Nc2ncc(Br)cc21 963019620 HWNUQFGYQSXWHZ-OAHLLOKOSA-N 364.268 2.864 0 1 FFAF COCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 11813390 QRIRSFZHESOHNX-UHFFFAOYSA-N 370.453 2.644 0 3 FFAF N=C(N)NCCNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857760343 JNYPLTGIECZZLJ-UHFFFAOYSA-N 360.465 2.692 0 1 FFAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 2467466 DDCRJDFEKDNMLM-APWZRJJASA-N 350.418 2.679 0 1 FFAF CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 4563971 YDIHMSYJSVIFEN-PNPHSEOMSA-N 360.454 2.710 0 1 FFAF COC(=O)c1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(O)CCCC1=N2 102651622 IMVOMHRWYFWRCU-HNNXBMFYSA-N 354.366 2.745 0 1 FFAF O=C1NC(=O)[C@H]2c3c[nH]c4cccc(c34)Oc3[nH]c4cc(O)ccc4c3[C@@H]12 2356722980 VLBHCPDDRYCSDJ-RDJZCZTQSA-N 359.341 2.984 0 1 FFAF CCOC(=O)[C@@H](C)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 507033847 ABISLJZHMMKTNH-JTQLQIEISA-N 354.453 2.848 0 1 FFAF Fc1ccc(Cn2cc(CSc3nnc(-c4cnccn4)o3)nn2)cc1 1911573404 XZLAQQCLNUEJBH-UHFFFAOYSA-N 369.385 2.598 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)co2)cc1 82070806 NFEYCHSRMOUIKL-AWEZNQCLSA-N 373.453 2.652 0 1 FFAF Cn1cc(Nc2ncc3cnn(C4CCC5(CC4)CC5)c3n2)cc1C(N)=O 84605000 DINLHKGZVRGQQO-UHFFFAOYSA-N 365.441 2.903 0 1 FFAF O[C@H](CSc1nnnn1-c1ccccc1)Cn1ccc2ccccc21 84688382 VLOVKMSYSMMSOH-INIZCTEOSA-N 351.435 2.770 0 1 FFAF O=C(CNC(=O)c1csc(-c2ccccc2)n1)OCCc1ccccn1 82072239 LXKFFHHCEUFISY-UHFFFAOYSA-N 367.430 2.721 0 1 FFAF O=C1COc2cc3[nH]c(C4(O)CCC(C(F)(F)F)CC4)nc3cc2N1 587125338 DOBQHNFRPSOJQN-UHFFFAOYSA-N 355.316 2.834 0 1 FFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586906098 JDCXEJUTZRTWCL-MRVPVSSYSA-N 353.172 2.833 0 1 FFAF OCc1ccc(F)c(-c2nc3cc(I)cnc3[nH]2)c1 587140540 MSWJBDFMBSTYPX-UHFFFAOYSA-N 369.137 2.861 0 1 FFAF CC(=O)c1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 587023429 ATBUNULYSVQTBF-UHFFFAOYSA-N 373.438 2.977 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O 587427115 GUCRCQYSMYXKHB-PJFSTRORSA-N 363.385 2.770 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)nc12 586917693 UQNSRTJDMWCOPQ-VBKZILBWSA-N 365.389 2.961 0 1 FFAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 587189635 BYXIOKNQBNZYJX-GFCCVEGCSA-N 371.397 2.720 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705368 NIIXGTUTBZXZNU-HTNFSKGQSA-N 372.362 2.895 0 1 FFAF CCn1cc(Br)c([C@@]2(C)NCCc3nc4ccccn4c32)n1 962989300 ZMQINXKDLQBRNR-MRXNPFEDSA-N 360.259 2.722 0 1 FFAF CC(C)N1CCC[C@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962642378 ZGVNNYVMUJYZDG-NVXWUHKLSA-N 372.387 2.884 0 1 FFAF COc1ccc([C@@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2)cc1 1772655657 VUPCXEVKEVCDEX-SFHVURJKSA-N 351.406 2.941 0 1 FFAF CC[C@@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(=O)O 169622096 JQFGUBLRJFEKMI-BLYIVVCWSA-N 350.455 2.905 0 1 FFAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCC3CC3)ccc1-2 209697754 MHGVKCIHBUUROS-QGZVFWFLSA-N 368.433 2.813 0 1 FFAF CC=C1CN2[C@@H](OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356468366 YTVBFWHIYAUPOK-HEFCMCLBSA-N 368.433 2.689 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049517 KGMZEZVYHCEUSU-DOTOQJQBSA-N 362.788 2.679 0 1 FFAF CC[C@]12C=CCN3C[C@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 2356513443 ZPFAJIIDARZSTK-AGOPTVSRSA-N 366.461 2.846 0 1 FFAF c1ccc(-c2cn([C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CCCCC3)nn2)cc1 2356816706 DEBLZMCUHNOXES-NCYKPQTJSA-N 368.481 2.822 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@H]2CC[C@@](C)(O2)[C@@H](O)CC1 2356858398 SZTYJILCJAFDKH-VBYALHQYSA-N 350.455 2.798 0 1 FFAF Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc3c2c1 73240661 BVFLIOSLDNOXBH-UHFFFAOYSA-N 374.364 2.915 0 1 FFAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141825 DBFWDRCSIMUFNZ-GASCZTMLSA-N 372.469 2.985 0 1 FFAF Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)[C@H](O)C2 49072092 UJVVWLDFOHEJIT-NHCUHLMSSA-N 368.452 2.831 0 1 FFAF Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccnc43)cc2)n1 49115715 CIJKWWGOTUIBJB-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 40873341 SLWSWKGGZQCLDU-BDCJCWEESA-N 373.449 2.846 0 1 FFAF O=P(O)(O)COc1cccc2c1-c1nc(Br)sc1C2 45358514 LBMVGDXARSKAAT-UHFFFAOYSA-N 362.141 2.991 0 1 FFAF NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCCO 49089336 GPEKJFJSKYUJIU-UHFFFAOYSA-N 358.829 2.783 0 1 FFAF NC(=O)c1cccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)c1 221471468 HYVZWZLSOOUAQK-UHFFFAOYSA-N 373.416 2.741 0 1 FFAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CC(=O)N(C2CC2)C1 43205882 NIRHZAGRDKJTAO-SNVBAGLBSA-N 360.763 2.986 0 1 FFAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCCN(C)CC3)ncc2C)C1 82202644 HQXBZMKDVKZPAU-OKZBNKHCSA-N 361.534 2.933 0 1 FFAF COc1ccc(/C=C2/C(=O)OC[C@@H]2Cc2ccc3c(c2)OCCO3)cc1O 238759948 GRODRRJBLWFRFZ-WNLSXJKCSA-N 368.385 2.971 0 1 FFAF NC(=O)CNc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 299860766 HBBJVUHNBRGSHO-UHFFFAOYSA-N 368.372 2.706 0 1 FFAF CN1CCN(c2nc(/C=C/c3ccc(Cl)c(Cl)c3)nc(=N)[nH]2)CC1 473154072 DUVPEOVYGWGHPX-HWKANZROSA-N 365.268 2.513 0 1 FFAF COC(=O)CCCN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 473135729 UAFKHKMLMDSULZ-LJQANCHMSA-N 368.389 2.935 0 1 FFAF COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444803 VCGHDJNHQPIEDR-FYINFDKHSA-N 350.370 2.694 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587773469 IZPNZPRNXTUNHF-DAZKTRTLSA-N 368.206 2.721 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 586936015 LFGOMDOHTCHOHV-VIFPVBQESA-N 365.846 2.750 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587774596 OLHNNWGKZYAZSZ-UFOLMUJCSA-N 369.278 2.545 0 1 FFAF C[C@]1([C@@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554487 IERVEXKBEAZWPN-MDASCCDHSA-N 358.321 2.768 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(F)(F)F)c2[nH]1 587202075 BQPBZGJWJKRCND-LLVKDONJSA-N 356.348 2.661 0 1 FFAF O=C(CCCCC(=O)OC[C@H]1CC[C@H]2O[C@H]2C1)OC[C@H]1CC[C@H]2O[C@H]2C1 100049382 DJUWPHRCMMMSCV-ARAZSQDJSA-N 366.454 2.768 0 1 FFAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ncccn2)N1 963168113 FZXZBLPFMDVBLG-JOYOIKCWSA-N 357.719 2.837 0 1 FFAF Nc1cccc2c1C(=O)N(C(=O)/C=C/c1cccc(Br)c1)C2=O 5691266 DGFNGIZXCZHTQK-BQYQJAHWSA-N 371.190 2.867 0 3 FFAF CNC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737482 LJLQBMVVQVFJKG-YJBOKZPZSA-N 366.446 2.810 0 1 FFAF NCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 14966858 BJPCOPXWUUFQEY-ZDUSSCGKSA-N 371.300 2.671 0 1 FFAF CC(=O)OCCN1c2c(ssc2=O)Sc2ssc(=O)c21 169349394 ULCTUORFRHRNPU-UHFFFAOYSA-N 365.504 2.819 0 1 FFAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(F)cc1)C2 20599378 PAPJMRCXQLSVQT-INIZCTEOSA-N 358.461 2.781 0 1 FFAF CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 101698052 GFEUNVMURRUASI-NBEPNCHPSA-N 354.450 2.961 0 1 FFAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 26643442 NARVEOXKUHYBBS-HXUWFJFHSA-N 366.804 2.801 0 1 FFAF COC(=O)c1cc(N(C)C(=O)/C=C/c2ccco2)ccc1N1CCOCC1 64503773 JCTCZGOZTAPCGQ-SOFGYWHQSA-N 370.405 2.579 0 1 FFAF COc1cc(C(=O)n2ccc3c(N)c(OC)ccc32)cc(OC)c1OC 40420476 WBXUPMPELWLUHW-UHFFFAOYSA-N 356.378 2.946 0 1 FFAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2O)c(O)c1 14436534 DXWMVLJCXZDYTI-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1ccc2c(c1O)-c1c(OC)c(OC)c(O)c3c1[C@@H](C2)N(C)CC3 14639567 ZLDNXEZNXWTKLG-GFCCVEGCSA-N 357.406 2.876 0 1 FFAF biogenic CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82212376 MOFDBHSAYICYNW-HNNXBMFYSA-N 374.485 2.533 0 1 FFAF CCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195064148 XXYXPBFLSNTPKS-RLAXGUCKSA-N 369.461 2.529 0 1 FFAF CC1=C2CC[C@@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O 238771684 HWHKBVPFJUPSOY-QAWXLNDUSA-N 350.455 2.558 0 1 FFAF CN(CCCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Cc1ccccc1 253664942 JCQWKPHRUQWHIZ-RPZLJYRGSA-N 350.462 2.562 0 1 FFAF CC(C)(O)[C@@H]1Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 59728636 ASFWAKDAUOGISP-KRWDZBQOSA-N 354.358 2.946 0 1 FFAF biogenic COc1ccc(-c2c(C)nn(C)c2C)cc1S(=O)(=O)NC1CCCC1 473112050 CNAIJQDSBREPHB-UHFFFAOYSA-N 363.483 2.933 0 1 FFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587785818 OXKOSYWXIVYCOX-ZIAGYGMSSA-N 372.402 2.753 0 1 FFAF CC(C)[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCc1ccccc1 587198331 FLIFBFAPLCIMNO-AWEZNQCLSA-N 354.414 2.901 0 1 FFAF COCCN(C)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587428192 IHLFHCOKCRQRDE-FOIQADDNSA-N 354.406 2.662 0 1 FFAF COC(=O)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587034763 LHZLWTDBODXKNN-UHFFFAOYSA-N 355.419 2.830 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(OCCN(C)C)cc2[nH]1 587094887 VOPZNUJDABCUOM-SNVBAGLBSA-N 358.364 2.633 0 1 FFAF CCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC 13660828 KEZKQHGDGQDNOA-UHFFFAOYSA-N 362.455 2.642 0 3 FFAF O=C(O)c1ccc2c(c1)nc(NCCN1CCOCC1)c1ccsc12 167743414 VDJJALNPPUZUKQ-UHFFFAOYSA-N 357.435 2.892 0 1 FFAF CN1CCN(C[C@@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 1857754494 CFOXFRAOQLQYIQ-HXUWFJFHSA-N 368.433 2.561 0 1 FFAF COC(=O)c1cc2c(OC[C@@H](N)Cc3ccccc3)ccc(OC)c2n1C 103224958 VTLYZHJVNBGNAZ-HNNXBMFYSA-N 368.433 2.922 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4C)C[C@@H]3C2)n1 116825674 ITGYKTHFPTWTCL-HZPDHXFCSA-N 354.429 2.749 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 61896312 CATQKSJSOBFUCI-NRFANRHFSA-N 354.450 2.845 0 3 FFAF CO[C@@H]1[C@@H](Oc2cc(C)c3c(c2)C(=CCl)CCN3)OC[C@@H](OC)[C@H]1O 2356462600 YDKCHRURWAZULR-NRSFXHEJSA-N 369.845 2.516 0 1 FFAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@]21C 2356549791 KNOYIRAECGPNAK-ATFHBJSOSA-N 364.482 2.556 0 1 FFAF C[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2N)[C@@H]1C 20467649 GYIWDYRRVHWRII-IQJOONFLSA-N 362.293 2.529 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CO)n1 2356860017 UAQDQCLPDPZLNI-YTQUADARSA-N 352.482 2.688 0 1 FFAF CCCn1c(=O)c2[nH]c(C34CC5C[C@@H](C3)[C@@H](C5)C4)nc2n(CCC)c1=O 38149751 IDHJABAMUQNMKF-BLLDWGMFSA-N 356.470 2.784 0 1 FFAF in-vivo CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O 40421607 VOSPMAIPFZNKCO-VTGPQGOBSA-N 367.236 2.569 0 1 FFAF CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95894050 WLJHDKMSTGEMPM-GBESFXJTSA-N 369.396 2.553 0 1 FFAF COc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565498 YECDPAWZYOWPSX-UHFFFAOYSA-N 360.723 2.615 0 1 FFAF C=CC(=O)Nc1ccccc1N=c1[nH]c(NC2CCOCC2)ncc1C 474609327 PKRRWXXVUMOSGN-UHFFFAOYSA-N 353.426 2.666 0 1 FFAF Cc1nc2[nH]c(CCNC(=O)Cc3ccccc3)nc2cc1Br 587228702 PZUDZUIQFFYIDT-UHFFFAOYSA-N 373.254 2.930 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCNC4=O)cc1)[C@@H](C2)C3=O 587442984 KGQQZBYJLAPKOB-HRAATJIYSA-N 364.401 2.888 0 1 FFAF Cc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2n1 587182003 KPEZFLRZIIUZAX-VIFPVBQESA-N 367.194 2.985 0 1 FFAF CC1(C)C[C@]2(C=C(C(=O)O)O1)c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962570131 HVVOLGJKNMXRKJ-KBXCAEBGSA-N 363.797 2.700 0 1 FFAF CC(C)c1nn(C)c2c1[C@@H](c1cn(CC(=O)O)c3ccccc13)NCC2 962917599 FZUFLWTXMPDPLV-HXUWFJFHSA-N 352.438 2.818 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cccc2c1C(=O)NC2 963611948 RFPYJMICECOZLW-XUSGNXJCSA-N 352.434 2.745 0 1 FFAF CCOC(OCC)C(=O)C[C@@]1(C)NCCc2cc3cccc(OC)c3nc21 963036948 QCPWCQACQPZSAS-OAQYLSRUSA-N 372.465 2.963 0 1 FFAF O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N(C2CC2)C1 12473036 PMAYRAINNZGMOF-ZDUSSCGKSA-N 354.372 2.765 0 3 FFAF CCOC(=O)CCCn1cc(C(C)=O)c2cc(OC)c(OC)cc2c1=O 13800926 FGPDEDKBKCVWFK-UHFFFAOYSA-N 361.394 2.565 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)O 13803824 WJFKRCVNGHZYFA-INIZCTEOSA-N 351.399 2.880 0 1 FFAF O=C(O)c1cc(=O)c2c(Cl)c3c(cc2[nH]1)-c1ccccc1S3(=O)=O 169319968 FPAUZKAULOOECY-UHFFFAOYSA-N 361.762 2.693 0 1 FFAF NC(=O)c1cc([C@@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 169334893 KAJMGOVCKGGONI-BONVTDFDSA-N 367.371 2.918 0 1 FFAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CC[C@H](C)OC3)CC2)c(C)c1 1857549324 MFGODBJUGINSMT-KRWDZBQOSA-N 366.527 2.833 0 1 FFAF Cc1cc(CCCOc2c(C)cc(-c3noc(C(N)=O)n3)cc2C)on1 28768385 XMCFDQOOGDFBGW-UHFFFAOYSA-N 356.382 2.760 0 1 FFAF COc1cccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)c1OC 27896442 XNQAJGZWGRXPBB-UHFFFAOYSA-N 368.437 2.539 0 1 FFAF CCN(CC)[C@H](C)CCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27561961 LBOJQBIKUHKFSE-VFNWGFHPSA-N 358.482 2.846 0 1 FFAF COC(=O)c1ccc2c(c1)[C@H](C(=O)OC)[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 2356764921 YNEPSWZBQIGSBT-LVNJIZSUSA-N 374.433 2.981 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2C/C=C/C[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 42920140 PNDBSKWNNXDDGR-QTTDQXRNSA-N 368.813 2.707 0 1 FFAF Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12 38494590 PTHJOKZGPLNYAC-UHFFFAOYSA-N 355.405 2.966 0 1 FFAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 34961882 JSDWWNLTJCCSAV-LGLVWUKQSA-N 372.502 2.993 0 1 FFAF COc1cc(=O)n(CCc2ccccc2)c(=O)n1CCc1ccccc1 71316215 XWTGHCNFOYRJCL-UHFFFAOYSA-N 350.418 2.504 0 1 FFAF COc1c(O)cc2c(c1O)C(C)(C)O[C@@H]1Cc3c(O)cc(O)cc3O[C@H]21 15149807 UEYVPAAGIXRIKF-RHSMWYFYSA-N 360.362 2.828 0 1 FFAF biogenic COc1cc(O)ccc1-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1OC 14436536 VPCSAGVHBAHHIW-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC(=O)N(C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 45284102 IFSAKYXOHQHUQS-UHFFFAOYSA-N 367.380 2.992 0 1 FFAF C[C@H]1C[C@H](O)[C@]23COC(=O)[C@@H]2CCC[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 238751647 YIPMKFWEORGSOZ-QNDCPBSISA-N 360.406 2.614 0 1 FFAF CCn1nccc1-c1cnn2c(=O)cc(-c3ccc4c(cnn4CC)c3)[nH]c12 143357507 CDCLTQVEAFMJMC-UHFFFAOYSA-N 373.420 2.943 0 1 FFAF CN1CCN(c2nc(N(C)C)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 95595115 ICYXOXQWSOQPPE-UHFFFAOYSA-N 354.433 2.582 0 1 FFAF COc1cc2c(cc1O)[C@@H](CO)[C@H](c1ccc(CCCO)c(OC)c1)O2 85996129 DTWUHAOZSGPUHQ-QRWLVFNGSA-N 360.406 2.544 0 1 FFAF biogenic CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)=N1 299815465 GPBCQGAAWLZWIS-YHYUZPOISA-N 369.483 2.863 0 1 FFAF CCNCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655950 JDAPDAQORWOMMY-UHFFFAOYSA-N 357.360 2.982 0 1 FFAF O=C1COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2N1 587520386 ACDIULKEVKXOAR-QGZVFWFLSA-N 350.374 2.998 0 1 FFAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cn1 587244268 BYOACAKYSMSUMR-UHFFFAOYSA-N 360.468 2.977 0 1 FFAF CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)CC(=O)c2cc(C)cc(N)c2O1 587408470 NENVUBNNMQWXMM-NRFANRHFSA-N 367.401 2.936 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587044359 ULFYPNVQGWSMRD-UHFFFAOYSA-N 359.432 2.678 0 1 FFAF Cc1c(Cl)ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 586929553 XQFQQGYULQCENG-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF COCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575832 GMGBFKJYIBQSCV-VQIMIIECSA-N 366.373 2.938 0 1 FFAF O=C1OC[C@@H]2Cc3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)[C@@H]12)OCO4 5541502 SCTKDFCQZSBHEE-NXXSPTCGSA-N 352.342 2.621 0 1 FFAF biogenic C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 169303763 MVTNSOOORIFBMO-QZKOUSHUSA-N 354.244 2.508 0 1 FFAF NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)ncn3)cc2)CO1 169701160 MBNWOYZXWZOFQG-LBPRGKRZSA-N 351.332 2.885 0 1 FFAF Cn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccccc2)c1 1857549571 KRSXEEUTIGGBEL-DLBZAZTESA-N 350.422 2.556 0 1 FFAF O=C(O)Cn1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1 103258488 CGHVVJICEMVGRW-UHFFFAOYSA-N 365.324 2.886 0 1 FFAF CC1=CCC[C@](C)(O)[C@@H](O)CC[C@](C)(O)C=C2OC(=O)C(C)=C2CC1 2356450631 CJOCJMYRALTVRM-IHPCNDPISA-N 350.455 2.907 0 1 FFAF Cc1ccc2nc3n(c2c1)[C@H](CNC(=O)COc1ccccc1)COC3 2356299496 IXINNJNODIYWBF-OAHLLOKOSA-N 351.406 2.611 0 1 FFAF COc1ccc(Nc2nc(NCCO)nc(Nc3ccccc3)n2)cc1 28713179 YBAOORGMQSYFFK-UHFFFAOYSA-N 352.398 2.772 0 1 FFAF C[C@@H](CCc1ccccc1)NC[C@@H](O)c1cc(C(N)=O)c2c(ccn2C)c1 25969542 IIVGKARVLHONDS-MGPUTAFESA-N 365.477 2.922 0 1 FFAF CCOC(=O)CN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C1=O 26570843 CKDAXAPPJOLVCY-GJZGRUSLSA-N 374.437 2.620 0 1 FFAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CC(=O)N4CC[C@]12[C@H]3CC5 2356716635 SSPSJUOUNMQACS-LLUDDFSJSA-N 366.417 2.613 0 1 FFAF CC(C)c1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1 73166343 STEGDORTCWIWKF-IYBDPMFKSA-N 351.454 2.508 0 1 FFAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C(=O)O)[C@@H]1CC[C@@H]2C(=O)CO 85588991 RUPOMAOZPOVHQZ-OWVDYMSYSA-N 360.450 2.761 0 1 FFAF endogenous,in-man CN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1 49113930 PYVMVOYKFZPUEW-UHFFFAOYSA-N 363.421 2.528 0 1 FFAF CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@H]32)nc2ccccc21 618014464 QQSOZAOOQPVZMP-DVOMOZLQSA-N 369.469 2.539 0 1 FFAF CN(C)CCOc1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968395 NWWJRWCQEGOMRX-UHFFFAOYSA-N 372.450 2.889 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cnn[nH]1)[C@@H](C2)C3=O 587426202 AJWUTQCCYQOQFO-LIRRHRJNSA-N 351.337 2.644 0 1 FFAF COc1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587163898 NHWGHGFYMZIWDT-UHFFFAOYSA-N 352.369 2.989 0 1 FFAF Cn1ncnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584308 ZPZXBEHVJCAGLD-JXFKEZNVSA-N 363.373 2.788 0 1 FFAF N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1 586996295 DDQUYZGXAMYONQ-SECBINFHSA-N 352.623 2.963 0 1 FFAF COc1ccc(-c2nn3c(c2C(N)=O)NCC[C@H]3c2ccccc2N)cc1 1772651816 MBXBWLLSTVFGIE-INIZCTEOSA-N 363.421 2.645 0 1 FFAF COc1ccccc1C(=O)NCc1nnc(S)n1Cc1ccccc1 13524443 UYVDNWXZSVTHPJ-UHFFFAOYSA-N 354.435 2.554 0 3 FFAF O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CO)c1cc2cc(Cl)ccc2[nH]1 13780536 HGOGIPVRTZDUSO-WMZOPIPTSA-N 358.825 2.516 0 1 FFAF O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCOCC1 13824824 FAHWRRQOBFWCIG-UHFFFAOYSA-N 356.813 2.611 0 1 FFAF Nc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1F 169685205 IUNKWRMKIQXHKM-VIFPVBQESA-N 369.805 2.878 0 1 FFAF CCOC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 4295443 RNWCZVRWDKQYAD-NSHDSACASA-N 359.448 2.947 0 3 FFAF C[C@H]1CCC[C@H](NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)[C@@H]1C 8490145 BBYZFDLIOPJXSE-LZWOXQAQSA-N 374.510 2.653 0 1 FFAF c1ccc2c(CNCCCCNCCCCN3CCNCC3)cccc2c1 28823679 QWGJUFJODIXEGY-UHFFFAOYSA-N 368.569 2.985 0 1 FFAF Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)[nH]n1 114768195 IICYJPSPLINCAL-UHFFFAOYSA-N 374.408 2.672 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCCN2CCCC[C@@H]12 58529308 NRDFDFBBHZSEKP-WBMJQRKESA-N 351.878 2.925 0 1 FFAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 61711218 AQODJJSXRAHXIU-JEBQAFNWSA-N 350.422 2.629 0 3 FFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1Cn1nncc1-2)OCO3 28872608 UXRFNOCRSBGLOY-UHFFFAOYSA-N 367.361 2.728 0 1 FFAF CO[C@@H]1C[C@]2(CC[C@@]3(C)[C@@H]2CC[C@@]24C[C@H](CC[C@H]23)[C@@](O)(CO)C4)C(=O)O1 2356555095 JGJQQOVNDDCZBN-HCMGWXKDSA-N 364.482 2.632 0 1 FFAF CC[C@@H](C)C(=O)NC(=O)c1coc([C@@H](OC(C)=O)c2ccccc2)cc1=O 2356787073 TYALAHHUSALVLR-XIKOKIGWSA-N 371.389 2.595 0 1 FFAF CC[C@H](C)[C@@H]1NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1 2356790496 FQQOZLHPNGWWQX-TUKIKUTGSA-N 359.426 2.551 0 1 FFAF Cn1cc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 219747695 RSAMXXSITAJXFV-NRFANRHFSA-N 363.461 2.885 0 1 FFAF COc1ccc(C2=C(OCCNC3CCCCC3)COC2=O)cc1OC 72173603 GYCFWRYSVGNSQJ-UHFFFAOYSA-N 361.438 2.911 0 1 FFAF O=c1oc2ccc(S(=O)(=O)N3CCCCC3)cc2cc1Br 1911583147 YTXVPYXORFEPFG-UHFFFAOYSA-N 372.240 2.730 0 1 FFAF COc1ccc(C[C@@H]2COc3c(C=O)c(O)c(C)c(OC)c3C2=O)cc1 199432526 VEAIFZUUXITIHM-CYBMUJFWSA-N 356.374 2.964 0 1 FFAF CC[C@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@@H]13 238748115 WBKBNNAWNPDPHB-ZPYPVQIUSA-N 354.450 2.920 0 1 FFAF COc1ccc(-n2cnc3c(sc4ncnc(N(C)C)c43)c2=O)c(C)c1 95562883 YRTMNSNXHYTZJL-UHFFFAOYSA-N 367.434 2.773 0 1 FFAF CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 96911117 WTXOAXKLYNBCDT-UHFFFAOYSA-N 371.098 2.609 0 1 FFAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1 261166926 SBQXHJZXGWOSEK-IYBDPMFKSA-N 355.438 2.775 0 1 FFAF O=C(NCc1ccccc1)[C@H]1CCCCN1C(=O)COc1ccccc1 299859373 XFTRMWRAPFMOTC-LJQANCHMSA-N 352.434 2.763 0 1 FFAF CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(F)cc3[nH]2)CC1 586953735 YUNFFOIJQMLLDZ-UHFFFAOYSA-N 355.435 2.630 0 1 FFAF Cc1cc2c(Br)ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2o1 587004679 YIUDUBMBWPGBQN-UHFFFAOYSA-N 360.171 2.955 0 1 FFAF CCCn1c(O)nc(-n2nc(-c3cccc(F)c3)cc2OCC)cc1=O 587871915 FDZDOONLIUAELO-UHFFFAOYSA-N 358.373 2.749 0 1 FFAF CN1CCN(c2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)CC1 587958688 GDWLPZFDCNUTOW-UHFFFAOYSA-N 364.449 2.533 0 1 FFAF O=C(CCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Cl)cn1 587081901 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O=C(Nc1ccccc1O)c1c(NCCO)cc(-c2ccccc2)oc1=O 473153323 AJEOHOIRAJDGQX-UHFFFAOYSA-N 366.373 2.669 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 299880145 LTPRHQFXAUPTQK-XFQXTVEOSA-N 351.450 2.845 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 587229910 DKEOMMUGQHXHIS-KGLIPLIRSA-N 361.442 2.617 0 1 FFAF Oc1nncc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183962 MJHLLNRORMWKDK-PLNGDYQASA-N 364.146 2.834 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(CC(N)=O)c3ccccc13)O2 587389004 CUOYZSQKEDVWTR-NRFANRHFSA-N 363.417 2.898 0 1 FFAF COc1nc(OC)c(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587394456 VHSYJGVDPDXLPT-CYBMUJFWSA-N 374.393 2.713 0 1 FFAF NC(=O)c1cccc(N=c2nc(OCC3CCCCC3)c3nc[nH]c3[nH]2)c1 584905644 XAOVCENYRWWHPR-UHFFFAOYSA-N 366.425 2.576 0 1 FFAF in-vitro NS(=O)(=O)c1cccc2nc(-c3cc(F)cc(Br)c3)[nH]c12 587161208 MZDQEIFRLUDXDQ-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)CC2=O 587482097 ZCRCHVZNJCEORC-MPBGBICISA-N 373.405 2.658 0 1 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Cc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807367 RGBFTQMMGMUVDU-OUCADQQQSA-N 356.426 2.807 0 1 FFAF O=C1OC[C@H]2CCN(S(=O)(=O)c3ccccc3)Cc3ccccc3N12 2356291406 TTWQJYVDOHEWIP-OAHLLOKOSA-N 358.419 2.606 0 1 FFAF COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13 100376527 DTJQBBHYRQYDEG-BGXPRYDISA-N 368.477 2.882 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(COc3ccccc3)cnc21 27657881 ONFVZBNZVUTPHM-UHFFFAOYSA-N 373.412 2.723 0 1 FFAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@]21C 2356575656 VTJBUEPNESMAHX-NDPBJDSJSA-N 364.482 2.699 0 1 FFAF COC(=O)C=C(C)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C 2356639177 HLWQPWKHHFLJCJ-JOPJSMJBSA-N 368.514 2.821 0 1 FFAF CC(C)[C@@]12C=C[C@@](C)(O)CCC(=O)[C@@]3(C)CC[C@@H](O3)[C@@H](CC1)C(=O)O2 2356825083 HBTAJGAWUIDLHK-MNRMEVMPSA-N 350.455 2.942 0 1 FFAF COCc1cc([C@@H](O)CN[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 39238203 ITELRECMSVOHPU-ACJLOTCBSA-N 359.422 2.522 0 1 FFAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@H]1O 40810580 KEMICGMUYDFMDW-IKGGRYGDSA-N 360.458 2.597 0 1 FFAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C\C(=O)O)CO 49034294 HDDUFLXOIIGGHU-HRNGRBLSSA-N 352.471 2.752 0 1 FFAF O=C(NCCN1CCOCC1)c1ccc(-c2nccc3ccccc23)cc1 84724774 JZHDIGBWZULPFR-UHFFFAOYSA-N 361.445 2.964 0 1 FFAF in-vitro O=C(O)CNC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 84586609 DZUXZMWQJXFBFP-UHFFFAOYSA-N 374.481 2.902 0 1 FFAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 149959972 LIMBVZKBIGDVRK-UHFFFAOYSA-N 373.420 2.979 0 1 FFAF Cn1cc2cc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)C3(CC3)CO4)ccc2n1 149419689 LYIYOHNNHUSMFQ-NRFANRHFSA-N 360.417 2.953 0 1 FFAF Cc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)O)c3c2)cc1 95572256 KKOXITMCURSUOL-UHFFFAOYSA-N 366.377 2.935 0 1 FFAF O=C(CNC(=O)Nc1ccccc1)Nc1ccc2[nH]c(C(=O)O)cc2c1 95579628 AJZTWHXVKQVOPU-UHFFFAOYSA-N 352.350 2.626 0 1 FFAF O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc(O)n(-c2ccccc2)n1 618020169 BAIPAOOENUFDCQ-OAHLLOKOSA-N 363.417 2.949 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2nc3nonc3nc21 587394167 CZGWKIXTDOUOGU-HXUWFJFHSA-N 371.356 2.793 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cccc3[nH]2)o1 586931332 AJLPZZSUBTUSOA-UHFFFAOYSA-N 370.228 2.836 0 1 FFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnccc2[nH]1 586945828 MJRQYRVGNFZBGS-UHFFFAOYSA-N 360.420 2.758 0 1 FFAF O=C(O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587164877 XWKYIWOLQJTLDZ-UHFFFAOYSA-N 366.352 2.678 0 1 FFAF COc1nccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587237230 NCAUUKAABPEPID-UHFFFAOYSA-N 362.430 2.621 0 1 FFAF COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1ccc(OC)cc1 12478627 KMMXBSAYKSSFQT-INIZCTEOSA-N 361.419 2.504 0 3 FFAF COc1ccccc1-c1cc(Nc2cccc(P(=O)(O)O)c2)ncn1 169346831 KEJSIFQISWZRTF-UHFFFAOYSA-N 357.306 2.699 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@@H]3N)cc3cnnc(O)c23)c1 1857555772 USOMMSHSFFBVGU-JKSUJKDBSA-N 364.453 2.886 0 1 FFAF O=C(O)c1nc2ccccc2nc1Nc1cccc(N2CCOCC2)c1 1857630827 HDXVVXPARDDJNW-UHFFFAOYSA-N 350.378 2.908 0 1 FFAF 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CUWYFUIWYABLKL-GSEOLPGOSA-N 352.471 2.638 0 1 FFAF CC(C)(O)[C@@H]1Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 2356619503 IKHVEPGZVCECES-RDJZCZTQSA-N 372.373 2.584 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)[C@H](O)N3CCC[C@@H]3C[C@@H]12 2356805663 VJFXOWNUUNFJBE-SPGALJOBSA-N 367.449 2.679 0 1 FFAF O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)N1CCOCC1 40901535 OXNWFWJEAQTXFF-UHFFFAOYSA-N 364.401 2.634 0 1 FFAF CC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1 221312794 JHYVPQOVIVDZRZ-UHFFFAOYSA-N 351.410 2.788 0 1 FFAF N#Cc1ccc(N(CC2CC2)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 149543445 FWXJTNOOTLFTHZ-MRXNPFEDSA-N 359.437 2.720 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)[C@@H]2CNC(=O)NC(C)C)cc1 95867922 ACQIUIIZIOPNLC-CKXRVBFISA-N 371.525 2.966 0 1 FFAF C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1OC 261188275 YEVVICJQWKRFLF-UHFFFAOYSA-N 366.377 2.935 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCOCC3)ccc1N)O2 587398401 GHLQHTSUOLPSNL-OAQYLSRUSA-N 367.449 2.877 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCO)nc1)CC2=O 587468059 GWRDAFDKRKOMAR-SFHVURJKSA-N 356.422 2.875 0 1 FFAF COCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797526 VWOMNJUKAFEQKF-QFYYESIMSA-N 374.250 2.917 0 1 FFAF O=C(c1csc(N2CCOCC2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587875363 DJNJJAHPBPCYIO-UHFFFAOYSA-N 372.381 2.777 0 1 FFAF CC1=C([C@@]2(C)c3cccc(Br)c3CCN2C)CN2NC=NC2=N1 963290992 ZJJRHVNONNGUNC-QGZVFWFLSA-N 374.286 2.644 0 1 FFAF CCc1cc(C(=O)N2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1 1772613453 UWYRRHICZDZAIZ-CQSZACIVSA-N 364.453 2.706 0 1 FFAF Cc1ccc(OCc2cc(C(=O)N(C)CCc3ccccn3)no2)cn1 11937995 UKFCQLYDLZJNNA-UHFFFAOYSA-N 352.394 2.667 0 3 FFAF CC[C@@](O)(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 13730906 YYTBMHOKZFPJNJ-HXUWFJFHSA-N 358.461 2.816 0 1 FFAF CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)C2CCCCC2)C[C@H]1c1ccccc1 169341867 KQAJWHWSMXVXMF-ACRUOGEOSA-N 372.509 2.996 0 3 FFAF CCOc1ccc(CNC(=O)[C@H](C)N2C(=O)COc3ccc(C)cc32)cc1 3060363 YTIOMAPQOZZTDC-HNNXBMFYSA-N 368.433 2.824 0 1 FFAF CO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4F)cc3C(=O)N2C1 8299653 VLKXLYDTGIXQCJ-PXAZEXFGSA-N 358.344 2.813 0 1 FFAF biogenic Cc1nn(-c2ccccc2)nc1C(=O)c1c(C)[nH]n(-c2ccccc2)c1=O 104308786 BEIXSMQARALPIW-UHFFFAOYSA-N 359.389 2.594 0 3 FFAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@H](N)C2 2356821068 XUFCNOJUQFAYIF-CGSRYZMKSA-N 374.549 2.568 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccc(C)cc5c4CCN3C[C@H]2CC[C@H]1O 2356821758 GELZMWSFAYTMRI-KLMGCUKVSA-N 368.477 2.956 0 1 FFAF CCCCCCN1CCN([C@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 72139568 FMJYOBZXQSQQOH-IBGZPJMESA-N 371.591 2.531 0 3 FFAF COCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136232 SMLQEPUFUIYLLV-UHFFFAOYSA-N 358.417 2.871 0 1 FFAF CC(C)n1ncc2c(=O)[nH]c([C@@H]3CN(Cc4ccccc4)C[C@H]3C)nc21 44713305 PUGMRQMXTZPAIZ-RHSMWYFYSA-N 351.454 2.936 0 1 FFAF in-vitro O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1ccncc1 49036479 SLRTUQXBTOKZDJ-HUUCEWRRSA-N 368.824 2.518 0 1 FFAF CCS(=O)(=O)c1ccc(NC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146341165 BMZKXDVTPUCPKE-UHFFFAOYSA-N 371.462 2.902 0 1 FFAF COc1ccc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)cc1O 96909762 XHXLNNWXXBFXNM-UHFFFAOYSA-N 354.358 2.934 0 1 FFAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 96916340 VQOKWGNGONANPR-SNVBAGLBSA-N 351.384 2.629 0 1 FFAF CCNC(=O)Nc1cc(-c2cccnc2)c(C(=O)Nc2cccnc2)cn1 299824547 HOEIMWSKVWVSFK-UHFFFAOYSA-N 362.393 2.932 0 1 FFAF O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCNCC1 653742680 QPVQOPSMQFJCMD-WOJBJXKFSA-N 368.408 2.974 0 1 FFAF CCN=c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587753687 HVQGKIAAOGZBQN-BJOHPYRUSA-N 365.250 2.856 0 1 FFAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCCNC(=O)CC(C)=O)c2c1 587640586 BHTSKLHLFZMALV-LBPRGKRZSA-N 357.454 2.815 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 587380633 BCFUGEGKSHGQAF-QGZVFWFLSA-N 374.299 2.712 0 1 FFAF COc1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(F)c1 587149338 QVWAMOCEINXQLK-UHFFFAOYSA-N 363.414 2.552 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C 586932397 DUXQBVRMYWPGGO-AWEZNQCLSA-N 367.471 2.766 0 1 FFAF COc1cc(OC)cc([C@@]2(CCC(=O)O)NCCc3c(C)ccnc32)c1 963073348 PSFVAUSWVMGXKU-HXUWFJFHSA-N 356.422 2.661 0 1 FFAF CC1=Nc2ccccc2/C1=C/c1sc(=O)n(CC(=O)N2CCCC2)c1O 1779851135 RGBOLFMOHDURIQ-GXDHUFHOSA-N 369.446 2.884 0 1 FFAF Cc1c(F)c(N2CC[C@](C)(CN)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 13649767 BDHLFYRJPDRCBK-HXUWFJFHSA-N 373.428 2.657 0 1 FFAF COc1cccc([C@@H](O)CNC2CCN(Cc3ccccc3)CC2)c1OC 13779921 DDKCQCRIRIGWFA-FQEVSTJZSA-N 370.493 2.991 0 1 FFAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 169687167 HHFOUSLXYUKTRS-RBUKOAKNSA-N 374.396 2.869 0 1 FFAF NC1=N[C@@H](CCc2ccc(Nc3ncc(C(F)(F)F)cn3)cc2)CO1 169701190 JAUSXZVANDJZHC-ZDUSSCGKSA-N 351.332 2.885 0 1 FFAF CN(CCCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 169718911 WUNHBJWPQMYWSA-UHFFFAOYSA-N 363.461 2.830 0 1 FFAF CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1 203741615 CLKZDZYGBHNPSM-AWEZNQCLSA-N 363.469 2.564 0 1 FFAF in-vitro C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@H]1CCC2=O 2356314510 QIJNCQNMZUTUIF-YVVSIOMPSA-N 366.435 2.999 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 2488102 FPCLYQYSMOWVEC-KRWDZBQOSA-N 373.497 2.593 0 1 FFAF CN1C(=O)C(c2ccccc2)=C(c2cn(CCCN)c3ccccc23)C1=O 29125188 RLUKSBBRGCRSPS-UHFFFAOYSA-N 359.429 2.900 0 1 FFAF COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@@H]3CC(C)C 61921413 HAEXEZXDQCJGJG-MRXNPFEDSA-N 364.405 2.620 0 3 FFAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C4CC4)C=C[C@@]31CCN(C)C2 27657414 JCVPJLWNIDZKSV-WJPUGNRLSA-N 355.434 2.811 0 1 FFAF OC(c1cccnc1)(c1cccnc1)[C@H](c1ccccc1)N1CCOCC1 34634948 WPLZJOHYEBBPRT-NRFANRHFSA-N 361.445 2.786 0 1 FFAF in-vivo COc1c2c(cc3c1OCO3)[C@]13C[C@H](OC)[C@@H](OC)C=C1CCN3CCC2 15148619 QANHDQASCQVEMJ-MDKPJZGXSA-N 373.449 2.631 0 1 FFAF biogenic CC(C)Oc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1 35075420 JEOUWGCAMDIIJZ-UHFFFAOYSA-N 369.465 2.925 0 1 FFAF CN1C(=O)[C@](c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N 72183328 SXYPETJOWBBGQK-LJQANCHMSA-N 366.421 2.980 0 1 FFAF COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1 139581416 ZKYGEVYKGMFLJI-KRWDZBQOSA-N 373.413 2.667 0 1 FFAF COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43 238765823 ZRSBOAUHWZBBQX-RYFAJOAYSA-N 370.493 2.699 0 1 FFAF Cc1cc(Br)c(Nc2nc(N)nc(N)n2)c(Br)c1 299821539 FUAKOEQUOZBHQH-UHFFFAOYSA-N 374.040 2.613 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 586982042 HFVQHPJQYXDWOF-UHFFFAOYSA-N 360.167 2.987 0 1 FFAF O=C1C[C@@H](Cc2nc3cnncc3[nH]2)c2c(Br)cccc2O1 587003461 KSWIHZHUFFJYLK-MRVPVSSYSA-N 359.183 2.751 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)ncc2[nH]1 586961128 FVUBUXPEUMREMC-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF COc1cccc(-c2cc(F)cc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c1 587160034 CSVMZRFNOKPFDC-UHFFFAOYSA-N 351.341 2.953 0 1 FFAF COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588208 PQASLAYBNDSLCB-APWZRJJASA-N 350.330 2.894 0 1 FFAF O=C(Cc1ccc(-n2cnnn2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587875151 GNNYZJKITBITAQ-UHFFFAOYSA-N 362.324 2.654 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccnc(Cl)c3[nH]2)s1 587023758 HNSCMPPFRRRMGC-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF Clc1cc2nc(-c3nccnc3I)[nH]c2cn1 587186263 GLSRRNMZIYNQRR-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 587125733 SSTQUUNSFZLRDE-UJURSFKZSA-N 371.348 2.518 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)nc2O)N1 587775260 QFVGIWSBJQIHLF-ZIDLFYJRSA-N 368.206 2.587 0 1 FFAF COCCOc1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962926513 PKLPVMNXGNXVAA-QFIPXVFZSA-N 368.477 2.823 0 1 FFAF CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCn1cnnn1 12429604 SSPVYJWOBDEZND-KRWDZBQOSA-N 352.442 2.717 0 1 FFAF CC1(C)[C@@H]2CC[C@@]1([C@@H](O)CN1CCN(c3ccc(F)cc3)CC1)C(=O)C2 169333723 VDGABWROYPUGDF-JJXUHFIVSA-N 360.473 2.704 0 1 FFAF CCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169343994 XXYXPBFLSNTPKS-WRJWKURHSA-N 369.461 2.529 0 1 FFAF CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 2457377 QDMANWBXMCTCCC-UWJYYQICSA-N 373.497 2.930 0 1 FFAF Cc1cc2nc(S(=O)(=O)Nc3cc(Cl)ccc3C)nn2c(C)n1 103211198 ZCSRKJWIVPIKTL-UHFFFAOYSA-N 351.819 2.504 0 1 FFAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 61905589 BEQBKRSWCKJHMH-CQSZACIVSA-N 360.479 2.906 0 3 FFAF O[C@@H]1CN(C2CCCCC2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 20637788 ZUWIQHQDABAJSJ-DHIUTWEWSA-N 371.569 2.615 0 3 FFAF O=C(Cn1cnc2c(NCc3ccccc3)ncnc21)NCc1ccccc1 61945280 SUNFJCOVITZQMA-UHFFFAOYSA-N 372.432 2.755 0 3 FFAF CCCO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272151 JLPQWCJOYFLTTI-HNNXBMFYSA-N 352.822 2.845 0 1 FFAF CSc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 49113125 UNZVQIJLQQYQLN-UHFFFAOYSA-N 366.450 2.540 0 1 FFAF O=C(NCC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 144767438 FWTUJSPGGAHOLP-GFCCVEGCSA-N 355.467 2.806 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C(=O)OC)[C@@]1(C[C@H]2OC)C3=Nc2ccccc21 238774136 FNXBCZCMPCVOPU-BNZIYCHVSA-N 352.434 2.826 0 1 FFAF COc1ccc(-c2cc3c(C)nc(N)nc3n(CCC3CC3)c2=O)cn1 140926914 WHCDPTNSCYDFNC-UHFFFAOYSA-N 351.410 2.553 0 1 FFAF Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cccc(Cl)c3)c2n1 95576465 HCHBQMYGEZFZQS-UHFFFAOYSA-N 353.773 2.607 0 1 FFAF COc1cc(OC)c(-c2coc3cc(O)cc(O)c3c2=O)c(OC)c1OC 238744390 WAFFTIYDAJTGFX-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)cc2F)s1 653723541 NAMHILCVUBIGQZ-UHFFFAOYSA-N 362.408 2.802 0 1 FFAF C[C@]1(c2nc3c(S)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 587155138 IAHMKKALTVJNNZ-OAHLLOKOSA-N 361.427 2.861 0 1 FFAF O=C(O)CC[C@]1(c2ccccc2)CCCc2cc3c(O)nc(O)nc3nc21 587561532 SWSLDASLQKXZQZ-FQEVSTJZSA-N 365.389 2.923 0 1 FFAF Nc1cc(F)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1N 587136884 YBBDIKWVICESHH-UHFFFAOYSA-N 365.162 2.994 0 1 FFAF COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@H]1C(=O)O)CC5 587211700 HVOWUXIIZZXGCZ-JDFRZJQESA-N 366.417 2.905 0 1 FFAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586892469 SRIRVMQMOHKYMG-UGSOOPFHSA-N 373.478 2.959 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)O2 587396797 WGIILUHDLOHZLZ-BTYIYWSLSA-N 372.465 2.863 0 1 FFAF Cn1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)n1 963182622 PGPKKCVFOOAMDP-MEBBXXQBSA-N 373.762 2.955 0 1 FFAF COc1ccoc1[C@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638792 NPDVTNMRJREQQJ-ZANVPECISA-N 357.284 2.875 0 1 FFAF Cc1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)Cc2c[nH]cn2)ccc1F 91807779 ABORJUNHBTVOPQ-SOXMVSPVSA-N 356.445 2.664 0 1 FFAF Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@H]3F)cc2c[n+]1[O-] 169700123 CKFKKGDOSWBOHE-TZMCWYRMSA-N 356.332 2.674 0 1 FFAF CCN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 167782152 ZLMFZZNLVHHKFB-MRXNPFEDSA-N 371.462 2.881 0 1 FFAF CC=C(C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)O[C@@H](C(C)(C)O)C3 2356427875 PWBQERDUTAUICC-MRXNPFEDSA-N 374.389 2.582 0 1 FFAF Cc1cccc(N2CCN(C(=O)CN3CCOc4ccccc43)C[C@H]2C)c1 3061060 CZPRGEPAYYCPGJ-GOSISDBHSA-N 365.477 2.931 0 3 FFAF COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1 4238650 QEGLPUPFRXDEMI-UHFFFAOYSA-N 358.401 2.970 0 1 FFAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1 28635538 SWGWTBOZTKJVHF-UGKGYDQZSA-N 365.477 2.643 0 1 FFAF CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 100733809 HHSFJHANGGIQHQ-SIHWBGBFSA-N 356.466 2.752 0 1 FFAF CC(C)[C@@]1(O)C=C[C@](C)(O)CCC(=O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356465097 ZRSVCIGMOMWILW-AQNXPRMDSA-N 350.455 2.846 0 1 FFAF NCCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27867745 WJRRNCUZSOIRET-IRXDYDNUSA-N 366.417 2.689 0 1 FFAF CC(C)C1=C[C@H](O)[C@@](C)(O)CC[C@@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356470004 KTSWSNYADQZTSZ-LCLWPZTBSA-N 352.471 2.638 0 1 FFAF COc1ccc([C@@H]2Oc3c(O)cc(C=CC(=O)O)cc3[C@H]2CO)cc1OC 2356496580 KPVRDBJJSXNPDY-KUHUBIRLSA-N 372.373 2.717 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@H]1CCN1CCc2ccccc21 2356828624 IJHMJOPMAYTVHD-QZTJIDSGSA-N 356.466 2.789 0 1 FFAF C[C@H](CF)N1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 36289014 APJOLOBANNPDKL-APWZRJJASA-N 357.425 2.898 0 1 FFAF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1C(=O)[C@@H]2O 14816086 WDPAWIPMFRGQCE-WIBUTAKZSA-N 362.422 2.986 0 1 FFAF biogenic Cc1cc(-c2ccccc2S(=O)(=O)N(C)C)ccc1-c1cnc(N)cn1 224805402 NJOKIIVNSNJHBM-UHFFFAOYSA-N 368.462 2.952 0 1 FFAF CC(=O)OCC[S@](=O)C[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 195127218 ZUHFHBFMBYNBLT-DLYSWHJUSA-N 357.903 2.687 0 1 FFAF Clc1cncc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 149707085 QURJBQQAYVMKHZ-IBGZPJMESA-N 373.884 2.877 0 1 FFAF Cc1cn2c(Cl)c(C(=O)N3CCN(C4CCCC4)C(=O)C3)nc2s1 299851434 GHJRAVGBBHXJRM-UHFFFAOYSA-N 366.874 2.585 0 1 FFAF Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1F 586954394 BBZQMZJYUTXBOF-UHFFFAOYSA-N 374.441 2.577 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(C)c2[nH]1 586964782 DOESEPOPUPOQPD-UHFFFAOYSA-N 368.470 2.723 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCCC4)nc1)[C@@H](C2)C3=O 587443894 MNXGKAMKADMGPU-HNAYVOBHSA-N 351.406 2.964 0 1 FFAF Nc1ncnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587081889 XRRUKXNYYDBDNR-UHFFFAOYSA-N 362.784 2.965 0 1 FFAF CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 587211142 CQQUNCPKCCZJQN-ACJLOTCBSA-N 367.401 2.600 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(=O)O)N1 587808555 ZQKFZPXESJLCGW-SREIQFSDSA-N 354.179 2.633 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@](c3cccnc3)(C3CCOCC3)c3cccc1c32 963029028 MTJKJRZFICYZKD-QRQCRPRQSA-N 363.461 2.805 0 1 FFAF COc1cc2nc(N3CCCC3)nc(NC3CCN(C)CC3)c2cc1OC 1772575265 PGVIWADEDHEJGB-UHFFFAOYSA-N 371.485 2.753 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 5126446 GUAPJNKJZHLRHT-CRAIPNDOSA-N 371.458 2.733 0 1 FFAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(F)c(Cl)c1 13612293 NYFBVOSSMFVUMQ-UHFFFAOYSA-N 373.727 2.630 0 1 FFAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCS2(=O)=O)cc1 13643011 RLTFKHPSPUGIRA-LBPRGKRZSA-N 374.466 2.569 0 1 FFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2oc(=O)ccc2c1 15967862 VLNWQYONJLEAQX-MRXNPFEDSA-N 366.373 2.699 0 1 FFAF biogenic NC(=O)c1c(N)n(-c2ccc(F)cc2)c2cc(-c3ccncc3)ccc2c1=O 585622 YCPHWKVVKDFNGI-UHFFFAOYSA-N 374.375 2.873 0 1 FFAF COc1c(C)cnc(C[S@](=O)c2nnc(-c3ccccc3O)o2)c1C 26639873 IUFREXRPGMPFOM-RUZDIDTESA-N 359.407 2.770 0 1 FFAF Cc1ccc(CNCC2(O)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)nc1 101369500 BDVXLXLWIPWOCW-ROUUACIJSA-N 371.506 2.739 0 1 FFAF COc1ccc(-c2ccc(S(=O)(=O)Cn3cccc(O)c3=O)cc2)cc1 29130070 SMWUMKAFRZUPSV-UHFFFAOYSA-N 371.414 2.661 0 1 FFAF Cc1cn([C@@H]2C[C@H](c3ccccc3)N(Cc3ccccc3)O2)c(=O)[nH]c1=O 64409149 ZRAVHBGWJBRXSG-MOPGFXCFSA-N 363.417 2.922 0 1 FFAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 73138317 UZUFFDJWFAJFQO-UHFFFAOYSA-N 351.815 2.670 0 1 FFAF Nc1ncnn2c(C3(O)CCCCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 224964472 QCUYUVQBHIYSJO-UHFFFAOYSA-N 374.391 2.901 0 1 FFAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)nc(N(C)C(C)(C)C)[nH]c34)[nH]c21 222205280 XUPURJISFWXKAO-SNVBAGLBSA-N 365.437 2.957 0 1 FFAF COc1cccc(CNc2nc(N3CCSCC3)ncc2C)c1OC 82202816 ORJXNDJTNWUZBQ-UHFFFAOYSA-N 360.483 2.968 0 1 FFAF COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1 45339393 BKPNHETWBVUDLZ-UHFFFAOYSA-N 371.828 2.900 0 1 FFAF CCc1ccc2c(nc(-c3ccc(P(=O)(O)O)o3)n2CC(C)C)c1N 45260664 ZEKHNHDJIBLFHB-UHFFFAOYSA-N 363.354 2.900 0 1 FFAF O=C(C1CCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95866439 VZZQLBIEWDIUMC-DAXOMENPSA-N 365.271 2.925 0 1 FFAF COC(=O)C(C(=O)OC)c1ccccc1NC(=O)OCc1ccccc1 95570056 VISBCGICNILTEE-UHFFFAOYSA-N 357.362 2.865 0 3 FFAF Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587509683 INKWRPWSBNAXEH-OAQYLSRUSA-N 366.417 2.954 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCOCC2)N1 587769971 ZVSGTEVMHUJCMW-BZNIZROVSA-N 357.267 2.670 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C(C)C 586932155 BPYVWITWNZYNLE-AWEZNQCLSA-N 371.434 2.817 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1C=C[C@@H]2[C@H](C(=O)O)C1 587612783 WHNWVYVHNLNEMC-XABNAAFQSA-N 364.353 2.999 0 1 FFAF COC(=O)c1ccc(OC(C)C)c(-c2ccc3c(O)nc(O)nc3n2)c1 587553856 DWGCVYDVDLGLJZ-UHFFFAOYSA-N 355.350 2.677 0 1 FFAF N[C@@H](N=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035757 ZNNPOAFGGTWWBU-INIZCTEOSA-N 355.423 2.767 0 1 FFAF CC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19500693 ATAPSLWJMJTOLG-QGZVFWFLSA-N 360.531 2.794 0 3 FFAF COc1ccc([C@H](C)NC(=O)n2sc3ncccc3c2=O)cc1OC 169711332 LTXBHPWMOKGCHN-JTQLQIEISA-N 359.407 2.794 0 1 FFAF COc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12 204335989 GJNYFLRNHHMEJY-VBKZILBWSA-N 354.450 2.889 0 1 FFAF CNc1ccc([C@@H]2CN=C3c4ccc(C(=O)OC)cc4NC(=O)N3C2)cc1 216180488 VMDISULGNMLXFL-CQSZACIVSA-N 364.405 2.906 0 1 FFAF O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NC2CC2)ccc1F 217064508 MBYIPMHTMVSGCL-UHFFFAOYSA-N 370.352 2.797 0 1 FFAF CC=C1CN2[C@@H](OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356468368 YTVBFWHIYAUPOK-WNYOCNMUSA-N 368.433 2.689 0 1 FFAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@H](CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O 2356470496 CFRJFTPTDARZKT-CMBDLQSPSA-N 362.466 2.999 0 1 FFAF O=C(CCS(=O)(=O)c1cccc2nsnc12)Nc1ccc(F)cc1 2457730 FSHJOUUZAVHNER-UHFFFAOYSA-N 365.411 2.633 0 1 FFAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccco1 100276035 QVKBSDQFAPAQBF-IAGOWNOFSA-N 365.341 2.730 0 1 FFAF COc1cc([C@@H]2Oc3cc4c(cc3O[C@@H]2CO)CC=CO4)cc(OC)c1O 2356565025 MHEZAZVUYYHZAE-QUCCMNQESA-N 372.373 2.731 0 1 FFAF O=C(NCCN1CCCC1)c1ccc(-n2sc3ccccc3c2=O)cc1 64693646 RLRAGKGBFIOSKB-UHFFFAOYSA-N 367.474 2.878 0 1 FFAF CCOc1ccc(-n2nc3c(N4CCCNCC4)nnc(C)c3c2C)cc1 72108960 GEHGVVUONLLQIR-UHFFFAOYSA-N 366.469 2.631 0 1 FFAF COc1ccc2nc(Nc3nc(=O)c4cccc(OC)c4[nH]3)nc(C)c2c1 40936749 GSGRTHRZIIMIOZ-UHFFFAOYSA-N 363.377 2.936 0 1 FFAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCC(C)C)ncnc21 82178043 FXPUPGSTSSIYIC-UHFFFAOYSA-N 358.471 2.759 0 1 FFAF O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 45245952 UAYPYQFHJWZHQA-CQSZACIVSA-N 366.845 2.805 0 1 FFAF CC[C@]12C=CCN3C[C@@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 238786501 ZPFAJIIDARZSTK-KDXIVRHGSA-N 366.461 2.846 0 1 FFAF Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCCO)cc1n2CCO 299844591 IPWLXDYLLSQBJS-UHFFFAOYSA-N 357.474 2.800 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 299880144 LTPRHQFXAUPTQK-MOXGXCLJSA-N 351.450 2.845 0 1 FFAF COc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)c(OC)c1 653684761 JKDZNOLORJSYQN-OAHLLOKOSA-N 356.426 2.842 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1nccn1C)CC2=O 587471439 QFZTUXMXXGCXIQ-HXUWFJFHSA-N 372.421 2.892 0 1 FFAF Sc1nc(S)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587043255 YGNOXCAVXKCSBB-UWVGGRQHSA-N 361.521 2.877 0 1 FFAF COC(=O)COc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587438201 CZZGXSGVLCBPAM-QRWLVFNGSA-N 354.358 2.736 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(CCO)ccc2[nH]1 587038501 JVBLRIMQOXYDLI-UHFFFAOYSA-N 361.427 2.963 0 1 FFAF O=C1C[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1c1ccccc1 587654836 NVIUEDFLTYVOAZ-CYBMUJFWSA-N 367.792 2.743 0 1 FFAF CCN=c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587753692 HVQGKIAAOGZBQN-VFZGTOFNSA-N 365.250 2.856 0 1 FFAF Cc1ccc2nc(O)c([C@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2c1 963492940 UKMIKJVCZKTALJ-HKUYNNGSSA-N 364.401 2.951 0 1 FFAF CC(C)C(OC(=O)N[C@@H](C)C(=O)C(=O)NCc1cccs1)C(C)C 13559102 WURMWVFVZOJZQZ-LBPRGKRZSA-N 354.472 2.729 0 1 FFAF O=C(O)C[C@@](O)(CSCCCc1ccc(Cl)cc1Cl)C(=O)O 13758084 ITLFLRQRHMHRIQ-CQSZACIVSA-N 367.250 2.950 0 1 FFAF COc1cc(Cc2nc3c(N)ncnc3n2CC(C)C)cc(OC)c1OC 13839077 VYQTYIGJXLQXOZ-UHFFFAOYSA-N 371.441 2.681 0 1 FFAF COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)C2=S)cc1OC 1857761944 FAFUSVKOQQKMQB-UHFFFAOYSA-N 360.410 2.977 0 1 FFAF COc1cc(C[C@@H]2COC(=O)C2=Cc2ccc3c(c2)OCO3)ccc1O 2356340084 GXUFGVFUODGOIH-CQSZACIVSA-N 354.358 2.929 0 1 FFAF COCCN(C)c1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1 3961854 GMBQUUCZMIXCEQ-UHFFFAOYSA-N 356.257 2.574 0 1 FFAF CCCN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCN2)C1 55906568 RDZZVWULKPBWOC-INIZCTEOSA-N 355.313 2.891 0 1 FFAF O=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 28384782 PZTNEHOTRRRWBW-UHFFFAOYSA-N 369.490 2.795 0 1 FFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCC2CCCCC2)n1 2356289340 UBSOOAQPILZKKD-NMLBUPMWSA-N 361.530 2.670 0 1 FFAF C[C@@H]1[C@H](O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 2356454846 ZINGKVZTZNKXIN-CBFCQTLXSA-N 356.374 2.699 0 1 FFAF CC1(C)Oc2c(-c3coc4cc(O)cc(O)c4c3=O)ccc(O)c2C[C@@H]1O 2356587819 YSTZMKPKTYYKLN-INIZCTEOSA-N 370.357 2.651 0 1 FFAF COc1ccccc1C(=O)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356601259 PHRFPCXLPUKZIZ-KBXCAEBGSA-N 369.396 2.951 0 1 FFAF N[C@@](CCc1cccc(Oc2ccccc2)c1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27209597 ACBVMQKDQFEJCE-SQGPQFPESA-N 355.390 2.914 0 1 FFAF COC(=O)[C@@H]1c2cc(C(=O)O)ccc2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@H]12 2356643390 RLVRXRFSOZQLOI-IPZZXCBHSA-N 360.406 2.892 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)[C@H](O)N3CCC[C@H]3C[C@H]12 2356805664 VJFXOWNUUNFJBE-YYYCSSTMSA-N 367.449 2.679 0 1 FFAF CN1C(=O)C(F)(F)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 64527819 RNOXPGOBXVBJPY-VIFPVBQESA-N 370.705 2.841 0 1 FFAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CCN3C[C@H]2OC(C)=O 15203911 UIOSDHZVQOEUNC-LPTQZCDUSA-N 371.433 2.734 0 1 FFAF biogenic O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 72110320 RJMFTQUECIQFAZ-UHFFFAOYSA-N 352.799 2.637 0 1 FFAF CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073277 RJFLYTVFGUGARE-INIZCTEOSA-N 373.478 2.520 0 1 FFAF COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCO2)cc(OC)c1 40917696 JYRGCGTVYFIVPH-OAHLLOKOSA-N 355.398 2.765 0 1 FFAF O=C(O)COc1cc(F)ccc1C(=O)NCc1nc2ccccc2s1 263621216 XHXQDRCYBSVXOU-UHFFFAOYSA-N 360.366 2.829 0 1 FFAF in-vitro COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1O[C@H](C)CC2=O 473112225 BLDKOKNYBYRQGV-SECBINFHSA-N 374.345 2.668 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C(=O)OC)ccnc2[nH]1 586964133 VQEOGICERYUDAE-SNVBAGLBSA-N 359.411 2.792 0 1 FFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnccc2[nH]1 586954032 YNQANZWYNHOEIA-UHFFFAOYSA-N 357.420 2.882 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587093263 ZGNJTAJQNXSNDE-LLVKDONJSA-N 370.375 2.525 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1coc(C)n1 587868126 UYXJHXMOBDXIJN-UHFFFAOYSA-N 352.272 2.957 0 1 FFAF COC(=O)C(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400928 UIMMSOINNPWPGM-FQEVSTJZSA-N 353.374 2.570 0 1 FFAF CNC(=O)[C@@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431515 GMVXSFBRQFYFJO-PLTJGGDTSA-N 367.401 2.697 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 586930346 KAQDCNBOTUSFOK-UHFFFAOYSA-N 373.434 2.989 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](CN[C@H]1C(=O)O)C3 587106275 KQSYCHOEYSYTII-GKABBXAVSA-N 370.408 2.834 0 1 FFAF O=C(Nc1cc(F)ccc1F)[C@@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957636635 OOTFWQLMPCTTEA-HNNXBMFYSA-N 356.328 2.695 0 1 FFAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634089 JAOSLAVSHBAYAE-RBZFPXEDSA-N 363.454 2.756 0 1 FFAF CCOC(=O)COc1cccc([C@@H]2NCCc3c2c(C(C)C)nn3C)c1 962906544 GRLSBGZORAACRO-FQEVSTJZSA-N 357.454 2.721 0 1 FFAF CC(=O)CN1C=C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962891342 ABOZJFZWUNBSGG-GHTZIAJQSA-N 366.392 2.591 0 1 FFAF Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 206023316 TXBHFFCJEXRMKK-DOTOQJQBSA-N 374.437 2.866 0 3 FFAF CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 5929740 HRUIQWXIUSSRCD-VXGBXAGGSA-N 361.417 2.606 0 1 FFAF COc1ccc2c(c1CC(=O)C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21O 15203507 AFOCANOUHLXZSA-LEWJYISDSA-N 370.401 2.882 0 1 FFAF biogenic,in-vitro O=C1c2[nH]ncc2[C@H]2CCC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1 169339679 ODSMHUDVEWNHJT-OLZOCXBDSA-N 351.815 2.544 0 1 FFAF CN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540600 FHISEKJSBMVBSC-ZDUSSCGKSA-N 354.385 2.649 0 1 FFAF COc1ccc(-c2c(N)c(-c3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 1857745701 QWTXBMLFDYEEAM-UHFFFAOYSA-N 374.400 2.959 0 1 FFAF CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 4184500 HHSFJHANGGIQHQ-XXLATIFVSA-N 356.466 2.752 0 1 FFAF CC[C@H](C(=O)NCc1ccc(F)cc1)n1ncn2c(cc3occc32)c1=O 6807566 GIHJVWKIVVEGFB-CQSZACIVSA-N 368.368 2.649 0 1 FFAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1OC 103538563 ZQNKJTYYTWUTAA-OAHLLOKOSA-N 356.382 2.975 0 1 FFAF Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(N)=NN=C2N)cc1 53122833 MDWQUGAEHHYSIE-MRXNPFEDSA-N 362.433 2.635 0 1 FFAF O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2F)CC1 64549256 OARMBUFDWXNMIR-UHFFFAOYSA-N 363.820 2.740 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)C[C@H]2O 14930695 DPVUITDUDZIAQO-CHWSQXEVSA-N 357.406 2.661 0 1 FFAF biogenic CNC(=O)c1ccc(-c2nc3c(nc(NC)c4ncn(C)c43)s2)cc1 96258299 UGGDHIFYMZMSDW-UHFFFAOYSA-N 352.423 2.646 0 1 FFAF CC(C)(O)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1 95561054 XTHZSIUQLMKARU-UHFFFAOYSA-N 361.405 3.000 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)c2ccccc2F)cc1 95895558 ZBARKINODJGYIU-WERPZGDFSA-N 354.425 2.705 0 1 FFAF CN1C(=O)[C@@]2(CC(C)(C)Cc3ccc(-c4cccnc4F)cc32)N=C1N 95603913 QOSNPHUJYRNMGO-FQEVSTJZSA-N 352.413 2.842 0 1 FFAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(OC)c2)ON1C 95589355 ZIAGXSBUFFBTEU-CABCVRRESA-N 372.358 2.862 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 587827745 QKRPULPLFXEGNW-FUXNSRLFSA-N 370.218 2.772 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963675 QCPZAOQWUGLVOZ-QWHCGFSZSA-N 363.483 2.799 0 1 FFAF CCS(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 586908757 UWRJGFIMXVRMDS-LLVKDONJSA-N 358.419 2.937 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(OC)c(C=O)c1O)[C@@H](C2)C3=O 587442294 JPXGAXXZYOFJAD-PRWKNARSSA-N 370.357 2.719 0 1 FFAF NCCOCCOCCc1nc2cccc(OCc3ccccc3)c2[nH]1 587246338 PRCVNBKVRGKOBV-UHFFFAOYSA-N 355.438 2.676 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCCn3nc(C(=O)O)cc31)CC2=O 587485933 SDOYTEJCLMVXSV-LJQANCHMSA-N 356.378 2.894 0 1 FFAF NC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)c2c(F)cccc2C[C@H]2CCCN21 963107938 KMCXDBNYUIGVAA-ASSNKEHSSA-N 365.408 2.762 0 1 FFAF CN(C)c1ccccc1C[S@@](=O)c1nccn1CCc1ccccn1 13746073 XJIQCDYZEIKAJQ-VWLOTQADSA-N 354.479 2.895 0 1 FFAF O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc[n+]([O-])c1 14968298 JOEWKRAUDHJYMV-KRWDZBQOSA-N 370.359 2.591 0 3 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2ccc1c(F)c2 169313228 CLCYYBNLZMBPBL-LPQSXRFUSA-N 371.364 2.579 0 1 FFAF CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccccc1 1650876 HCSNACQSVZNOHW-ROUUACIJSA-N 354.406 2.543 0 1 FFAF COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1OC 3037497 LKYQPUVHCYVSEH-HXUWFJFHSA-N 372.465 2.911 0 1 FFAF Cc1nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c(=O)c1Cl 100566937 FCTGMCMKHRMKDN-UHFFFAOYSA-N 351.193 2.568 0 3 FFAF O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@@H]1CCCCC1=O 103215812 XRLYVYAEKOVFKZ-GFCCVEGCSA-N 365.238 2.956 0 1 FFAF O=C(O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 29042518 BEYDVFUQKWNRPT-UHFFFAOYSA-N 360.377 2.971 0 1 FFAF CC[C@H](C)CO[C@@H]1C[C@H](CO)CCC=C(C)[C@H](O)[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356383298 IWFZPNVCTDXDMP-NPYTYYGGSA-N 354.487 2.695 0 1 FFAF O[C@@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356390950 NKMRIFKDNNKEFL-JLTOFOAXSA-N 354.358 2.735 0 1 FFAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@@H]1[C@H](C)[C@H](CC)O[C@@](O)(CC)[C@@H]1C 2356704935 NPCODZUACZMXSK-KUSCVOTLSA-N 372.502 2.690 0 1 FFAF CN1[CH]C=CC(c2ncc(-c3ccc(OC[C@H](O)C(C)(C)O)cc3)o2)=C1 2356861781 VWTHHNHFGGPALL-SFHVURJKSA-N 355.414 2.856 0 1 FFAF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@]21C 14725038 KYZIIBUTEUCONI-NAHJVGDPSA-N 362.422 2.747 0 1 FFAF biogenic COc1ccc(C(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c(OC)c1 74377686 ZQBAFDGYJOUZJZ-AEFFLSMTSA-N 352.390 2.579 0 3 FFAF CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1ccccc1F 40979217 KUKYHHAKWBMRNG-NSHDSACASA-N 364.377 2.614 0 1 FFAF COc1ccc(CCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40936789 RBQYAFLPTGRBET-UHFFFAOYSA-N 364.409 2.654 0 1 FFAF c1cc(OC[C@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1 40379193 CCLHRWBVZOMXEV-OAQYLSRUSA-N 360.498 2.541 0 1 FFAF CC(C)n1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 147855513 XGTNBGTWJVGEEE-UHFFFAOYSA-N 351.410 2.805 0 1 FFAF CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@@H]12 31167593 AECRFOBLAOZFPX-FRTACKCFSA-N 368.514 2.967 0 1 FFAF biogenic CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC 299880147 LTQHZLOFQMWPTR-POZUXBRTSA-N 372.421 2.657 0 1 FFAF Cc1nc2ccc(NC(=O)Cc3ccc4c(O)nc(O)nc4n3)cc2s1 587564490 TZCXIGKWVUFODR-UHFFFAOYSA-N 367.390 2.535 0 1 FFAF O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586886565 BKPIFFWFGHVJAR-LURJTMIESA-N 356.222 2.979 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(C(O)O)CC2=O 587482964 SQSZXZLQVLYMNB-HXUWFJFHSA-N 358.390 2.525 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(F)CN(C(=O)OC(C)(C)C)C1)O2 587381613 HCINTBJCPNGPNC-CQSZACIVSA-N 350.390 2.870 0 1 FFAF CC1(C)OCCn2c1nc(-c1ncc(Cc3ccc(F)cc3)o1)c(O)c2=O 116817311 BHIFEOZTXWYPIF-UHFFFAOYSA-N 371.368 2.599 0 1 FFAF COc1ccc(C2([C@H]3CC(=O)O[C@@H]3CO)SCCCS2)cc1OC 1772570900 PAOSXXLYQUCLTQ-SWLSCSKDSA-N 370.492 2.651 0 1 FFAF COc1cc2c(cc1OC)[C@@H](CO)[C@H]1c3cc4c(cc3CCN1C2)OCO4 5372969 LITCEGNIEIZOID-IIBYNOLFSA-N 369.417 2.621 0 1 FFAF Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(CNCCO)c1 3832342 MDPXBTVEVMPBMF-UHFFFAOYSA-N 359.433 2.752 0 1 FFAF COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 20452204 KINSGWJEXPGMEQ-INIZCTEOSA-N 354.454 2.896 0 1 FFAF COc1c(C(=N)N)cccc1-c1cc(-c2cccc(C(=N)N)c2OC)on1 28644395 MKVQZUPSGZHZMD-UHFFFAOYSA-N 365.393 2.594 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3CN(c4cccc(C)n4)C[C@H]3C2)c(OC)c1 116821624 VCUXGBUTMCUPAO-HOTGVXAUSA-N 367.449 2.616 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H](O)CC1 2356858396 SZTYJILCJAFDKH-AZNNDXHDSA-N 350.455 2.798 0 1 FFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCC1CCCCC1 2356869115 XIGYXBCOIFRMLT-NCXUSEDFSA-N 360.454 2.940 0 1 FFAF Cc1ncc(Cn2cc(COc3cccc(C(F)(F)F)c3)nn2)c(N)n1 73198859 PHHUIXFHLLWCOE-UHFFFAOYSA-N 364.331 2.605 0 1 FFAF COc1ccccc1Oc1cc(N2CCN(c3ccccn3)CC2)ncn1 82067884 XHCNXNDEMRRLII-UHFFFAOYSA-N 363.421 2.999 0 1 FFAF CC[C@H]1C[C@@H]2C[C@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 238780918 MMMDVGMDEBDBOH-JSNIETQYSA-N 352.434 2.782 0 1 FFAF CCCO[C@@H]1CCCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)C1 92028829 PRTSAMADSFDOMJ-GFCCVEGCSA-N 362.455 2.645 0 1 FFAF Cc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 587114376 RXQPEFNFADYBNZ-UHFFFAOYSA-N 359.315 2.987 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C=COc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587454108 RSUOACNWYZXSBX-XOBRGWDASA-N 350.326 2.942 0 1 FFAF N=c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c[nH]1 587001701 FUKDKMVIQSWVTL-UHFFFAOYSA-N 357.215 2.725 0 1 FFAF CN(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583303 RMXQONUBWJHDGB-QGZVFWFLSA-N 354.406 2.665 0 1 FFAF O=C(NCc1nc2cc(F)cc(Br)c2[nH]1)c1cscn1 587027468 DMQWKKRDXSGXEH-UHFFFAOYSA-N 355.192 2.851 0 1 FFAF COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1OC 587223753 FTHJWECAVCPMSH-LBPRGKRZSA-N 355.394 2.664 0 1 FFAF COC(=O)[C@@]1(CC(=O)C(C)C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962641272 ZPDSXTJHGCCRSJ-ZUOKHONESA-N 363.454 2.564 0 1 FFAF O=C1NC[C@@H](Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O 13662238 JDNSDTOPXLFFFM-LJQANCHMSA-N 374.440 2.658 0 3 FFAF c1cc(-c2n[nH]c3cnc(-c4cncs4)cc23)nc(N2CCNCC2)c1 205250585 BOKKHNWBLFFZGK-UHFFFAOYSA-N 363.450 2.553 0 1 FFAF CC(C)c1cn2cccc(C(=O)NCC3CCN(CC(C)(C)O)CC3)c2n1 1857759326 MWTXQNNOUIKDEF-UHFFFAOYSA-N 372.513 2.670 0 1 FFAF COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(O)cc1)CC2 1857774771 HTIHIBRTTCYUMB-UHFFFAOYSA-N 370.449 2.675 0 1 FFAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055211 CVCFWBBSOASEAO-HIFRSBDPSA-N 350.827 2.602 0 1 FFAF COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 6484704 GHTLZEXBRLQMFS-HNNXBMFYSA-N 369.373 2.604 0 1 FFAF CC(=O)Cc1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 100619144 LYMOQCSTYMQVME-SGNKCFNYSA-N 350.422 2.738 0 1 FFAF COc1ccc(-c2noc([C@H](C)NC(=O)c3cccnc3)c2C(=O)O)cc1 2356300058 SPUYIRVKNOIGMA-NSHDSACASA-N 367.361 2.934 0 1 FFAF Cc1noc(C)c1-c1n[nH]c2c1CN(C(=O)c1cccc3c1OCC3)CC2 23337783 GCJOPFLZIGYOHE-UHFFFAOYSA-N 364.405 2.815 0 1 FFAF O=C1Cc2cc3c(cc2C(c2ccc(Br)cc2)=NN1)OCO3 27517735 NGAITEVMBCNAKR-UHFFFAOYSA-N 359.179 2.603 0 1 FFAF Cc1ccc(Oc2ccc(CNC(=O)C3=C(O)C(=O)N(C)C3)cc2)c(C)c1 219158839 IHQBEIGRJGKKMQ-UHFFFAOYSA-N 366.417 2.996 0 1 FFAF N[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O 84689960 OURHIGHEBYNLMC-INIZCTEOSA-N 368.824 2.599 0 1 FFAF COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O 45301064 XPRBDJQOFHMNKA-SNVBAGLBSA-N 352.822 2.868 0 1 FFAF NC(=O)COc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144829869 RVQUDFMXBAJCML-HNNXBMFYSA-N 357.715 2.983 0 1 FFAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccco2)c1=O 25235587 CONABDIAUFUUMN-KGLIPLIRSA-N 350.374 2.961 0 1 FFAF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncccc12 587795623 RQVYXQRWBZSOFR-ZKANADHPSA-N 362.202 2.713 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(S(N)(=O)=O)c1)O2 587408886 JMDWYJNSIIHTBC-AWEZNQCLSA-N 366.826 2.585 0 1 FFAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C 587761944 RLKMKNRRCWKVCA-ABKXIKBNSA-N 353.235 2.736 0 1 FFAF Cc1nc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1Br 587248960 COEFEGUNTCSOKO-UHFFFAOYSA-N 361.199 2.900 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(O)O)N1 587850133 XILPCYHTQYHBAB-VXJOIVPMSA-N 372.259 2.738 0 1 FFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2C12C=COC=C2 963133818 CNGQPDGHLZLVJF-NSHDSACASA-N 350.396 2.642 0 1 FFAF CCC[C@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712491 AIAPAYZPHQDMIC-VPMQLGLMSA-N 362.514 2.879 0 3 FFAF CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(cc3C)OCO4)CC2)cc1 205134263 JPQCHQPFAOMSAB-UHFFFAOYSA-N 366.417 2.889 0 1 FFAF CCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857565284 XLTKUEUXSSOXEC-UHFFFAOYSA-N 352.398 2.879 0 1 FFAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1 603904 DOERHXQKDUFFRK-UHFFFAOYSA-N 370.497 2.807 0 1 FFAF CC[C@H](C)OC(=O)C1=C[C@H](C(=O)O)Cc2c(C(O)=CC(=O)O)cccc21 2356328797 IFLVTPZFSFAHSE-WDEREUQCSA-N 360.362 2.652 0 1 FFAF CCCCCOc1cc(-n2nnc3c(cnn3C)c2=O)c(F)cc1Cl 103288644 UTPOYDDSGSSQCA-UHFFFAOYSA-N 365.796 2.876 0 1 FFAF Cc1cnnc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c1 28394579 ZKHMNVBOQDVEMA-UHFFFAOYSA-N 372.429 2.888 0 1 FFAF CCc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116823303 SIWLWJLKDAJXTH-QZTJIDSGSA-N 350.466 2.864 0 1 FFAF CN(Cc1coc(-c2ccc(Br)cc2)n1)CC1OCCO1 72183237 KAFWDOWGTITHCV-UHFFFAOYSA-N 353.216 2.909 0 1 FFAF O=P(O)(O)COc1ccc(-c2cncnc2)c2c1-c1ncsc1C2 45366070 PRMBOZWFZWHTPE-UHFFFAOYSA-N 361.319 2.685 0 1 FFAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccnc2)cc1 142200718 HUVMZGTZHFJJGV-BJMVGYQFSA-N 365.414 2.961 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@](C)(N)c4ccccc43)c(F)c2)cn1 95594031 HNLZRNCTZZQAHS-HXUWFJFHSA-N 350.397 2.947 0 1 FFAF C=C(C(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587946028 ILCWVPLQJYYBMN-UHFFFAOYSA-N 355.325 2.506 0 1 FFAF N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F 587154824 SETYIIUZQHSNQR-HRAATJIYSA-N 366.440 2.876 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586951039 RILAKUWOJXCSBP-UHFFFAOYSA-N 371.397 2.926 0 1 FFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586892466 SRIRVMQMOHKYMG-FZKQIMNGSA-N 373.478 2.959 0 1 FFAF CC1=C(c2ccc3nc(-c4cc(CO)ccc4F)[nH]c3c2)NNC(=O)C1 587139945 AZCDJSHYWRALOT-UHFFFAOYSA-N 352.369 2.617 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 586931191 YBCIOYBAFFZRTA-UHFFFAOYSA-N 373.478 2.795 0 1 FFAF COC(=O)c1ccnc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)c1 963067977 PQJIEKYBLNPFOV-NRFANRHFSA-N 363.417 2.834 0 1 FFAF CC1=C[C@]2(C(OCC(=O)O)=CN1C)c1ccc(F)cc1C[C@H]1CCCN12 963099268 HAKSASRVJCBWPT-OXQOHEQNSA-N 358.413 2.833 0 1 FFAF O=C(Nc1ccccc1N1CCCC1)[C@H]1CC[C@@H](c2ccccn2)NC1=O 209289353 CTYDDGCCDRLNIQ-RDJZCZTQSA-N 364.449 2.888 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](N)C4)nc3n2)cc1Cl 1857595496 VPFBARSDFBCPKU-NSHDSACASA-N 373.844 2.604 0 1 FFAF COC(=O)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1 1857600742 OVPWCOOWQWTYJA-UHFFFAOYSA-N 369.400 2.814 0 1 FFAF O=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1 147437997 KIQSDRIRTUHRIO-UHFFFAOYSA-N 368.456 2.650 0 1 FFAF CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12 2496251 QYHIPWSWHMHUML-UHFFFAOYSA-N 355.485 2.504 0 3 FFAF O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1ccncc1 103294487 CLTMHRLGSQWDQW-IBGZPJMESA-N 372.384 2.935 0 1 FFAF CC1(C)OC(=O)c2c1ccnc2NC[C@H](O)COc1ccc(Cl)cc1 103252063 RDSNIKQCZLAAAN-LBPRGKRZSA-N 362.813 2.992 0 1 FFAF CCCCCC(=O)NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26500137 QEOKIVRIMGTLBP-OAHLLOKOSA-N 364.467 2.656 0 1 FFAF NC(=O)[C@@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 29128409 CNBKXUUHTVVJEP-WFBYXXMGSA-N 362.904 2.504 0 1 FFAF COc1ccc2c(C(=O)N(C=O)CC(=O)O)cccc2c1C(F)(F)F 26505091 YXOUXBPBANJWMR-UHFFFAOYSA-N 355.268 2.550 0 1 FFAF COc1cc(C2=NN[C@H](c3ccc(Cl)cc3)[C@H]2O)cc(OC)c1OC 28456897 HHWSIWOGHFEINN-NVXWUHKLSA-N 362.813 2.775 0 1 FFAF CC[C@H](C)C(=O)C(=O)NCCn1c(-c2ccccc2)[n+](C)c2ccccc21 29470103 GTJAGPSIVCMDOY-INIZCTEOSA-O 364.469 2.864 0 1 FFAF CCN1Cc2c(cc(OC)c(OC)c2OC)-c2ccccc2S1(=O)=O 61944799 HIXLWGCARJCGAE-UHFFFAOYSA-N 363.435 2.904 0 3 FFAF CN1C(Nc2nc3ccc(Cl)nc3s2)=NC[C@@]12CN1CCC2CC1 210833169 KJBHTEPFYURRRS-INIZCTEOSA-N 362.890 2.522 0 1 FFAF COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2 14559053 CEQXFBGTZBZJQF-CQSZACIVSA-N 355.390 2.714 0 1 FFAF biogenic C[C@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccc(Cl)c(O)c2C3=O)[C@@H]1O 13384398 VYZRGVNZHYVQDP-WDDATRMLSA-N 372.760 2.783 0 1 FFAF biogenic COc1cc2c(cc1-c1coc3cc4c(c(OC)c3c1=O)OCO4)OCO2 14437421 JGXCSCYXDURJRF-UHFFFAOYSA-N 370.313 2.935 0 1 FFAF biogenic CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)cc(C)c1C 45318489 QZHJRJXLQRVFSY-UHFFFAOYSA-N 368.499 2.699 0 1 FFAF O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)C1=NNC[C@@H]1c1ccccc1 95558719 LOJAEDCLYUOYIK-OAHLLOKOSA-N 365.824 2.834 0 1 FFAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)C[C@H](O)C[C@]21C 34285809 UONMWBMUAZUNTE-UTFCXKJZSA-N 350.411 2.733 0 1 FFAF biogenic COC(=O)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 653887488 GJMXIVUTEBTUOB-FPDPHYFHSA-N 351.402 2.719 0 1 FFAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1OC 587599519 GJHQSDCKYBMYFC-GIYDNNGJSA-N 356.374 2.916 0 1 FFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587963510 NSSXZRKCHMLJIK-AAEUAGOBSA-N 351.410 2.780 0 1 FFAF Cc1cncc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587183456 ZMLONLQRSXTEBM-VIFPVBQESA-N 367.194 2.985 0 1 FFAF COc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 587023492 DFGGNIHUECTFJX-UHFFFAOYSA-N 361.427 2.783 0 1 FFAF CCO[C@@H]1OC(C(=O)O)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO 13118620 JIUSYCFPERALRA-TUXXCZFBSA-N 374.389 2.627 0 3 FFAF C[C@@H]1C[C@@H](O)CC/C=C\CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169296554 PAYXAYNFEVIEBJ-ADAMHKFESA-N 368.813 2.899 0 1 FFAF O=C(O)CCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1 169333665 NWLATBPNRWQOPR-UHFFFAOYSA-N 354.406 2.853 0 1 FFAF CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C(N)=O 204408777 KUSSVTUKEHBPSL-OAHLLOKOSA-N 370.350 2.901 0 1 FFAF CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OCC(C)C)[C@H]3C1=O 103108490 JLKVLMZGGJSAFO-RYLXDESZSA-N 355.434 2.735 0 1 FFAF O=C1[C@H]2OCCC[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 100970681 XFJIIXXCFWUPKK-GHTZIAJQSA-N 350.418 2.563 0 1 FFAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1CN1CCN(c2ccccn2)CC1 28635532 SWGWTBOZTKJVHF-KNQAVFIVSA-N 365.477 2.643 0 1 FFAF N=C(N)NCCCCOC(=O)c1nc(-c2c[nH]c3ccccc23)cs1 26646243 WCVTUCUKQJLFEV-UHFFFAOYSA-N 357.439 2.711 0 1 FFAF CCN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)OCC1=O 27995772 TXSCWSNBOCRXAS-UHFFFAOYSA-N 362.445 2.502 0 1 FFAF O=C(Cc1ccc(OC(F)(F)F)c(F)c1)N[C@H]1COc2ncccc21 145029124 WVCKQLZFECPYPC-LBPRGKRZSA-N 356.275 2.912 0 1 FFAF O=C1CCCN1c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 147488387 RTLGFGOUQUOCJV-UHFFFAOYSA-N 358.405 2.997 0 1 FFAF COc1ccc2c(c1)N(C)C(=O)CN=C2c1cc(OC)c(OC)c(OC)c1 299860022 GIBZAVABPREENM-UHFFFAOYSA-N 370.405 2.535 0 1 FFAF CCc1coc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)n1 653672748 QRNUOQSWDWYIQN-UHFFFAOYSA-N 350.334 2.636 0 1 FFAF COc1cc(C(=O)OCCCn2nc3ccccc3n2)cc(OC)c1OC 653753026 JHHGEHHXQXPWHE-UHFFFAOYSA-N 371.393 2.704 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963836 UISNRFIWVLPUGD-CHWSQXEVSA-N 363.483 2.751 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)c2ccccc21 587493944 USZQHDVSLGUXKS-IBGZPJMESA-N 358.415 2.993 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)([C@@H]1CCCN(C)C1=O)O2 587396468 SOUFHAMFXIEGGI-IIBYNOLFSA-N 365.433 2.701 0 1 FFAF O=C(N1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660061 BOICGOXLNSXJDP-UHFFFAOYSA-N 353.353 2.503 0 1 FFAF CCOC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799660 TZXINRUJMZKLJY-XXFAHNHDSA-N 372.234 2.860 0 1 FFAF O=C1C[C@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587524911 MKYRAGUWYNXNEZ-QYDULMRYSA-N 355.434 2.742 0 1 FFAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587242328 SMEVQDNPPAEGDJ-UHFFFAOYSA-N 372.450 2.862 0 1 FFAF O=C([C@H]1Cc2ccccc2[C@H](c2[nH]nc3ncc(F)cc23)N1)C(F)(F)F 962758937 AAGFRILRGRCPMA-CHWSQXEVSA-N 364.302 2.832 0 1 FFAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)N[C@H](C(=O)O)Cc2cccc(F)c21 962901628 RGUWJVJREVLESE-MGPUTAFESA-N 368.364 2.543 0 1 FFAF C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H](N)C(=O)N1CCCC1 14948416 LTXMMYNRUAPSLG-GWCFXTLKSA-N 368.359 2.809 0 1 FFAF O=C1CCCC2=NC(=S)N[C@@H](c3cc(O)ccc3Br)[C@H]12 169729726 VOOCZJZYMRYEMO-STQMWFEESA-N 353.241 2.894 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@@H]3CN4)cc21 100774177 XRSXCUKNZCMZCH-NWDGAFQWSA-N 373.428 2.534 0 1 FFAF CCOC(=O)C(=O)[C@@H](C(=O)c1ccc(OC)cc1OC)c1ccccc1 103211440 VERNEFOLJKCPLU-QGZVFWFLSA-N 356.374 2.803 0 1 FFAF O=c1cc([C@H]2CCCO2)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 23129143 VILFWZJEAYHWSH-GOSISDBHSA-N 355.438 2.511 0 1 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cn1 2356299169 ALAZZMSHVNDUSS-CRAIPNDOSA-N 370.428 2.716 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cn1 2356299171 ALAZZMSHVNDUSS-YJBOKZPZSA-N 370.428 2.716 0 1 FFAF CCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27746033 KLVLQWBDRZLXSP-CQSZACIVSA-N 374.481 2.899 0 1 FFAF CCOC(=O)[C@@H](CCSC)NC(=O)C1(CSC(C)=O)CCCC1 26500239 WYPJYXKWBXYEBI-CYBMUJFWSA-N 361.529 2.628 0 1 FFAF Cc1ccc([C@@H]2CNC(=O)N2S(=O)(=O)c2ccc3c(c2)CCC3)cc1 26575172 GGYDXLJVHBAXNS-SFHVURJKSA-N 356.447 2.939 0 1 FFAF COc1ccc2c(C(=O)N(CC(=O)O)C(C)=O)cccc2c1C(F)(F)F 26496336 UOMHPGDWHPZLIW-UHFFFAOYSA-N 369.295 2.941 0 1 FFAF CCc1[nH]c2ccc(CNC(=O)Cc3c(C)nc(N)nc3C)cc2c1C 71774963 XEYMHNODUZAZHO-UHFFFAOYSA-N 351.454 2.887 0 1 FFAF COc1cc(O)c2c(=O)c3c(oc2c1)[C@H](O)Oc1cc(OC)c(OC)cc1-3 14715273 INRSYSTZYGIZOF-LJQANCHMSA-N 372.329 2.575 0 1 FFAF biogenic COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@H]2O 137019128 KZQQQASYBXZUMD-PCSHOKFBSA-N 372.461 2.989 0 1 FFAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@H]1O 40810581 KEMICGMUYDFMDW-IXDOHACOSA-N 360.458 2.597 0 1 FFAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O)CC(=O)O 238774450 VRPNZVDXTVMWKI-GBIGGKCRSA-N 356.503 2.813 0 1 FFAF COc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@H]2C)cc1 653813432 VXXGLIVQSASNGZ-JTQLQIEISA-N 366.450 2.912 0 1 FFAF NC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008638 ZYHRAMBTSXZYDQ-UHFFFAOYSA-N 356.183 2.968 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 587398139 CIFJEFXLJIJFSD-NFYPIIHDSA-N 372.465 2.623 0 1 FFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587785816 OXKOSYWXIVYCOX-KGLIPLIRSA-N 372.402 2.753 0 1 FFAF O=C(/C=C/c1nc2nc(Br)c[nH]c-2n1)Nc1ccc(F)cc1 587166781 IYAVRRORVCHQJX-AATRIKPKSA-N 362.162 2.858 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854943 DZHBTASUQJPCCN-ZBVHDKTDSA-N 374.275 2.996 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](O)NC(C)=O)CC2=O 587471582 UFMMVMOVJHJVJT-NHCUHLMSSA-N 369.417 2.660 0 1 FFAF COC(=O)c1cc([C@H]2NCCc3cnc4c(OC)cccc4c32)cn1C 963046054 IDELORLEUSFSHU-GOSISDBHSA-N 351.406 2.604 0 1 FFAF O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)CS(=O)(=O)C2 5084066 QFOREKKFOVNBIZ-UHFFFAOYSA-N 360.460 2.630 0 1 FFAF Cn1nc(OC2CCOCC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857651868 HZAPEUKZUCPGNJ-UHFFFAOYSA-N 364.409 2.568 0 1 FFAF COc1ccc2nc(C[C@H]3CN(CC4CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305747 CFZHGUFVESMBFX-CABCVRRESA-N 357.454 2.937 0 1 FFAF CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@@H](C)O 3939638 KBBUFDNIKCQBPT-HIFRSBDPSA-N 369.473 2.986 0 1 FFAF CC(C)(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356287157 DCJUSMHCVAOJFT-LMMKCTJWSA-N 372.465 2.955 0 1 FFAF CC(C)N(CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O)C(C)C 27752608 VGLXIOYNWVFQPC-IBGZPJMESA-N 359.514 2.628 0 1 FFAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H](OC(=O)CC(C)C)C[C@@]2(C)O 2356391722 AWUFGFYVINUPDN-KAHZWFLSSA-N 350.455 2.859 0 1 FFAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3C[C@@H]21)OCO4 2356477898 LUTHHZHBSYGWMF-XVVDYKMHSA-N 351.358 2.868 0 1 FFAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc([C@H](C)O)cc1 29557208 UKDKNLDAQSYNLH-NSHDSACASA-N 373.796 2.728 0 1 FFAF C[C@](O)(c1cccnc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61896241 HUVVUSXUXJEAJN-KRWDZBQOSA-N 360.460 2.864 0 3 FFAF COc1ccc([C@H](O)[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 40563728 KLRIVPGGWAEQKR-UXHICEINSA-N 359.422 2.641 0 1 FFAF Cn1ccnc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225109145 CDKZKJZCRGEITB-UHFFFAOYSA-N 371.447 2.893 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 195211096 IWEYXWIPVZEVPT-JJGOLVMSSA-N 366.461 2.578 0 1 FFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCC3CCCCC3)CO[C@@H]12 25214620 XIGYXBCOIFRMLT-MANSERQUSA-N 360.454 2.940 0 1 FFAF biogenic O=C(COc1ccc2c(c1)OCO2)N(Cc1cccs1)c1ccn[nH]1 146109486 DMRQUYUWMPGIJT-UHFFFAOYSA-N 357.391 2.812 0 1 FFAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5cc(C)n[nH]5)c4[nH]3)ccc21 143402985 NCEAEJKPAMXCEZ-UHFFFAOYSA-N 359.393 2.758 0 1 FFAF CCOC(C)(C)[C@@H](O)Cc1c(OC)c(OC)c(OC)c2ccc(=O)oc12 299855254 AUSFLTJSLYQHGL-ZDUSSCGKSA-N 366.410 2.537 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587087702 FOWZNYMIHHZXLR-SNVBAGLBSA-N 370.425 2.563 0 1 FFAF COC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 587156047 LGUFHSYXQVQVQY-GOSISDBHSA-N 354.341 2.675 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(CO)cc3[nH]2)c1 586930205 HTZMJLVSAGCSQU-UHFFFAOYSA-N 359.451 2.753 0 1 FFAF COC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2n1 587157975 RMMBXESQVSOFAS-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855951 HKPMUUFOBQENHG-OTDPEBBPSA-N 374.275 2.854 0 1 FFAF CC(C)N1CCC[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962642379 ZGVNNYVMUJYZDG-RDJZCZTQSA-N 372.387 2.884 0 1 FFAF CN(C)S(=O)(=O)c1cccc([C@H]2NCCc3cc(Cl)ccc32)c1 963389914 DNGLMXUEYYLTFY-QGZVFWFLSA-N 350.871 2.825 0 1 FFAF Cc1cc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)no1 3015010 HFJDLXAEFQXFFD-UHFFFAOYSA-N 361.357 2.714 0 3 FFAF CC(C)NS(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13472636 VNFJVFOVLUDHCI-UHFFFAOYSA-N 374.462 2.595 0 1 FFAF CC(C)(O)CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 14762747 HRSXJJYSAIZMGH-UHFFFAOYSA-N 372.373 2.986 0 1 FFAF endogenous,in-man C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@@](C)(O)C(=O)C3(C)C 169720412 LOSUIZTUIRLEGL-HXUWFJFHSA-N 356.374 2.702 0 1 FFAF CC(=O)NCCNc1nc(-c2ccc3c(c2)OCO3)nc2ccccc12 4266665 OLYXDHAIZGVERN-UHFFFAOYSA-N 350.378 2.574 0 1 FFAF C[C@H](N=c1c(C(N)=O)c[nH]c2ccc(-c3cccnc3)cc12)c1ccn(C)n1 1857619618 KCBCGZCZHKEUPT-ZDUSSCGKSA-N 372.432 2.724 0 1 FFAF O=C1N(c2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1ccccc1 1625510 GWUSSCXWEWTJSD-YADHBBJMSA-N 372.380 2.863 0 1 FFAF COc1ccc(CCN2CCCN(c3cccccc3=O)CC2)cc1OC 29564443 GMKGOCVYOKULFG-UHFFFAOYSA-N 368.477 2.819 0 1 FFAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)O)nnc2c1 68119989 VASDBJLAJXMNPY-UHFFFAOYSA-N 368.412 2.963 0 1 FFAF CCC(=O)OCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66098471 JUWSLQKMSYGZPU-UHFFFAOYSA-N 360.863 2.987 0 1 FFAF COc1cc2c(cc1O)[C@@H]1C(=O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 2356441803 FTUQYTBHWUCZQR-FUHWJXTLSA-N 353.374 2.639 0 1 FFAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356527423 HKSGHIIBMAMKKZ-HTZWUTCKSA-N 350.499 2.537 0 1 FFAF CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]12 2356546556 NFUNVPXUVUEVKF-IIBYNOLFSA-N 352.434 2.964 0 1 FFAF CC(C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356819902 FGEYVSARJMKCGF-SFHVURJKSA-N 371.481 2.535 0 1 FFAF CC[C@H](C)[C@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 61936028 HXESXNDAKNWTFD-KSSFIOAISA-N 373.501 2.534 0 3 FFAF COc1cc2c(cc1O)-c1c3c(c(OC)c4ccnc(c14)C2=O)OCO3 14765571 WGGQEHHBHHHIFF-UHFFFAOYSA-N 351.314 2.898 0 1 FFAF biogenic COc1c(O)c2c(c3c1[C@H](O)COC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 14816263 VLSCNAWMSGINHJ-SMDDFHAHSA-N 374.433 2.814 0 1 FFAF biogenic Cc1nc(N)nc(-n2c(Nc3[nH]nc4ccccc34)nc3ccccc32)n1 71317791 FYQVTANPXKLEIP-UHFFFAOYSA-N 357.381 2.721 0 1 FFAF COc1cc2c(cc1OC)[C@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 15148296 ZAVWGRCRKSHIMO-MOPGFXCFSA-N 355.390 2.676 0 1 FFAF biogenic O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCCN(CC2CCCCC2)C1 72172583 ZJXJOOWYHQGPCC-CQSZACIVSA-N 353.898 2.552 0 1 FFAF COc1ccc(N(C)C(=O)N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 49069996 ONIRCIYLVVDAAG-UHFFFAOYSA-N 363.364 2.996 0 1 FFAF Cc1nnc(SCc2ccccc2)n1N1C(=O)c2ccccc2C1=O 84714386 KGLPIROZELABPJ-UHFFFAOYSA-N 350.403 2.811 0 1 FFAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 195392745 JOYKNBJATCNRQR-YRNRMSPPSA-N 374.400 2.790 0 1 FFAF CC1=NCC(c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)=C1 96175538 ALRKAKLATQSEBP-UHFFFAOYSA-N 373.420 2.832 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@H]1C=CC(=O)[C@@H]32 85720907 PSIJQWWYMSJRJZ-ZMRBBYPXSA-N 356.374 2.598 0 1 FFAF biogenic O=c1cc(-c2ccc3nn[nH]c3c2)nc2[nH]c(-c3ccc(Cl)cc3)nn12 653663962 FEXRQCIKQPBYLX-UHFFFAOYSA-N 363.768 2.676 0 1 FFAF CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1 653735442 FUYWOKICVYDIIG-UHFFFAOYSA-N 352.482 2.649 0 1 FFAF NCCOCCOCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587246063 JXGJVWPKIHUJMW-UHFFFAOYSA-N 351.756 2.770 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 587115708 XUNFRBFKQFFJGM-UHFFFAOYSA-N 372.372 2.838 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(F)cc1)O2 587384405 LLLROJNDPDIPFK-SFHVURJKSA-N 363.410 2.622 0 1 FFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(F)cnc4[nH]3)cc12 587038404 SJNGZNSQTZHUHL-QMMMGPOBSA-N 358.402 2.845 0 1 FFAF O=C(O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126685 FJIMFIJIASRIHH-UHFFFAOYSA-N 371.296 2.617 0 1 FFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(N)=O)cc4[nH]1)(C3)C2 587950448 LSFRJZMKEHZEML-BRRVFRNMSA-N 353.422 2.815 0 1 FFAF CCn1cc(Br)c(Cc2nc3c(S)nc(S)nc3[nH]2)n1 587000825 RQEJHJJYSXDBDP-UHFFFAOYSA-N 371.289 2.500 0 1 FFAF COC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587441401 FGQFRXSNHRVJPU-IUSZMWJPSA-N 350.370 2.998 0 1 FFAF COc1nccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259035 CUZLRGFVMSINPY-AWEZNQCLSA-N 369.425 2.673 0 1 FFAF Nc1nc(N)c2cc([S@@](=O)c3ccc(Br)cc3)ccc2n1 169315038 OEYPRWOXCKZCOS-NRFANRHFSA-N 363.240 2.723 0 1 FFAF COc1ccc2c(c1)[C@@H](C1=C(C)N=C3N=CNN3[C@@H]1C)N(C(C)C)CC2 962090414 KYGJBXNTEQRYDW-KUHUBIRLSA-N 353.470 2.883 0 1 FFAF COC(=O)N1CC=C(c2ccc(-c3cc(CNC(C)=O)on3)cc2)CC1 5856107 VRQQLDJHMXKTLC-UHFFFAOYSA-N 355.394 2.833 0 1 FFAF Clc1ccc2c(c1)C(NCCN1CCOCC1)=Nc1cccnc1N2 13492095 QHHAYABMUVRYCM-UHFFFAOYSA-N 357.845 2.792 0 1 FFAF CCN1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)C3)CC1 1857596303 KOFBMNJKMVTHSV-UHFFFAOYSA-N 371.506 2.533 0 1 FFAF CC(=O)Oc1ccc(-c2ccc(OC(C)=O)c(C(=O)O)c2)cc1C(=O)O 1857768804 IDUURQAPJRFELC-UHFFFAOYSA-N 358.302 2.601 0 1 FFAF CC[C@@H](C)NC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C 3909729 UJNYLBNBGJZZBB-CYBMUJFWSA-N 355.438 2.668 0 3 FFAF CCOCCn1cnc2sc(C(=O)N3CCCCCC3)c(C)c2c1=O 8662450 PSCVLWDNAALGGI-UHFFFAOYSA-N 363.483 2.819 0 1 FFAF CC[C@H]1C[C@@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103216400 VYJIHRXBVYCXJP-GXTWGEPZSA-N 354.838 2.995 0 1 FFAF Nc1nc(N)c2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc2n1 29416140 NFYIRRMUDWCBCP-UHFFFAOYSA-N 365.418 2.748 0 1 FFAF CC(C)(C)c1cc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)n[nH]1 66263519 XTTNJIUZASCMJO-UHFFFAOYSA-N 352.797 2.755 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 34336006 BJDIQUJXLIZDRH-AWEZNQCLSA-N 355.446 2.597 0 1 FFAF N[C@H]1Cn2c(nc3cc(C(=O)O)ccc32)C[C@@H]1c1cc(F)c(F)cc1F 43059710 OYKFKUQAUXNQEW-YGRLFVJLSA-N 361.323 2.819 0 1 FFAF Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cccc(Cl)c2)n1 95579915 TTWJUJRTJUODCG-UHFFFAOYSA-N 367.800 2.618 0 1 FFAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)[C@@H]3C2=O)cc1 25410425 UCYUMKBMYOESES-IRXDYDNUSA-N 355.438 2.601 0 1 FFAF biogenic CS(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587038635 BBFDQGUXPFTELU-DLBZAZTESA-N 373.503 2.913 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccn(C)n1)CC2=O 587476830 REONZYMJXVBSOF-HXUWFJFHSA-N 372.421 2.892 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(Br)cc(C)c2[nH]1 586942059 GIJPLHSMTHOTLR-UHFFFAOYSA-N 360.277 2.506 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccn2C)N1 587755038 NYVLICSEDVRJKL-JDNHERCYSA-N 367.218 2.789 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)S(C)(=O)=O)N1 587849074 JLNJYHQYASTEBX-ISVAXAHUSA-N 364.280 2.987 0 1 FFAF COc1cncc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587037129 DVHLKYOHQRSDIX-VIFPVBQESA-N 370.438 2.714 0 1 FFAF CCC[C@@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430606 WAWKDMXOSJHWOG-CIISDVBBSA-N 373.449 2.990 0 1 FFAF C[C@H](N)C[C@@]1(c2ccc(F)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034255 QZAHVOKWWMYTOC-RXSFTSLZSA-N 353.441 2.860 0 1 FFAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCc3n[nH]cc32)N1 963189700 NAQPPSGSDYEJFF-ZFWWWQNUSA-N 371.746 2.871 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(-c2cnn(C)c2)nc1 963607674 JWQQWDXARAILFQ-HXPMCKFVSA-N 365.437 2.518 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705371 NIIXGTUTBZXZNU-RERORNDZSA-N 372.362 2.895 0 1 FFAF CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534297 WVAXSPFXHVXZHT-BEFAXECRSA-N 352.425 2.649 0 1 FFAF C[C@@H]1C[C@]2(C)CC(C(=O)O)=CCC[C@@H]2[C@@]1(CO)CC/C(=C/CO)CO 14858685 JCWINCIZDNXUMA-SPQHETMKSA-N 352.471 2.514 0 1 FFAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1COc2ncccc21 205613741 UCBFJVRADZPIPD-GXTWGEPZSA-N 353.205 2.714 0 1 FFAF N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 6476165 VLZBRVJVCCNPRJ-XBHMSOGKSA-N 353.374 2.817 0 1 FFAF CN1CCC(n2nccc2-c2cc(-c3cccnc3)n3ncnc(N)c23)CC1 1857569485 MDSONNHEKXVBRZ-UHFFFAOYSA-N 374.452 2.504 0 1 FFAF O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1cccc2c1CCCC2 3660504 VUMBFCRYGCUCOD-UHFFFAOYSA-N 363.417 2.975 0 1 FFAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4050146 YZGQSIRIZMSKEX-DFEOGRTESA-N 354.406 2.791 0 1 FFAF O=C(NC1CCCCC1)c1cccn1S(=O)(=O)c1ccccc1F 6567930 HVJSMSRUDGEBEF-UHFFFAOYSA-N 350.415 2.927 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3)C2=O)cn1 115730526 AYGGIMJXTALZIK-UHFFFAOYSA-N 365.393 2.505 0 1 FFAF C[C@@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O 101037629 XKQFRDLXFMGRRR-LLVKDONJSA-N 365.364 2.552 0 1 FFAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccncc1)CCC3 28968771 AGUVCUMUUYGWMV-INIZCTEOSA-N 351.406 2.909 0 1 FFAF CNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114772090 GKCFJUMKWXRTAL-UHFFFAOYSA-N 352.394 2.542 0 1 FFAF CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27109972 YKBGJPOKPNIOMU-KRWDZBQOSA-N 356.397 2.539 0 1 FFAF CN1CCN([C@@H](CNC(=O)CCc2ccccc2)c2ccsc2)CC1 22765525 NLBXJJWETRTELO-IBGZPJMESA-N 357.523 2.786 0 1 FFAF COc1cc2c(cc1O)[C@H](O)[C@@H](c1ccc(OC(C)=O)cc1OC)CO2 2356556495 CZKYGETXMUWXNW-KUHUBIRLSA-N 360.362 2.544 0 1 FFAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCOCC2)cn1 217086644 VBNQHICBRKOFQY-GOSISDBHSA-N 374.872 2.632 0 1 FFAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]12 74377987 NWHHESQZLBQUIP-IAGOWNOFSA-N 360.410 2.558 0 3 FFAF CN1O[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1 74373888 YZXODOVEDIZPCO-LJQANCHMSA-N 353.378 2.784 0 3 FFAF NC(=O)C[S@@](=O)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 73296002 CHNHHSRABLVDIA-XMMPIXPASA-N 357.353 2.986 0 1 FFAF NC(=O)[C@@]1(CCc2ccc(OCCCc3ccccc3)cc2)COC(=O)N1 73224739 KKUSDYHGFGILBP-OAQYLSRUSA-N 368.433 2.595 0 1 FFAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC(=O)[C@H]23)ccc1O 14718200 ADTULSGZUFJGNI-RCUQFMMVSA-N 370.357 2.731 0 1 FFAF biogenic O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 45348303 QVVDZRGUBTVPBX-ZNFPLGDCSA-N 372.808 2.951 0 1 FFAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O 82186642 LJBCPQNZBVLCKR-UHFFFAOYSA-N 370.501 2.859 0 1 FFAF CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CN(C2COC2)C1 146493544 LUQNMQVYOBUKFK-UHFFFAOYSA-N 355.417 2.944 0 1 FFAF COc1cc(OC)cc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1 96269464 PCLPJEJPDRXJHK-UHFFFAOYSA-N 356.382 2.906 0 1 FFAF N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248848 XREQBYRYDXGACW-NSHDSACASA-N 350.138 2.919 0 1 FFAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21NCCc2nc3ccccn3c21 962988780 YSQDQAHXNRJELH-ASSNKEHSSA-N 363.417 2.694 0 1 FFAF CCCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(C)cc2s1 1772622192 OUPMKCIUYVYLMJ-AWEZNQCLSA-N 372.450 2.553 0 1 FFAF COc1cc2c(cc1O)C[C@@]13CCC(=O)N1CCc1cc(OC)c(O)c-2c13 5882755 SPEGKEJJLFGOID-OAQYLSRUSA-N 367.401 2.712 0 1 FFAF CC(C)=CCOc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 13431341 NKBBYRJYKGXDCB-SDNWHVSQSA-N 351.468 2.591 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)n1 2356302013 JWGGMYDKQVPHQG-YOEHRIQHSA-N 374.391 2.845 0 1 FFAF CC=CC=CC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 2356348766 FABFALSQMFMAOA-GKBFQHABSA-N 364.482 2.519 0 1 FFAF O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 7991419 LHQSXNQSQNPTRT-CYGHRXIMSA-N 368.433 2.774 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100275703 YKLKQIKUUSJQGC-UEFGCPDKSA-N 365.429 2.652 0 1 FFAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3ccccc3)cc2N1 116255172 OOGSQHIRMPONOF-QFIPXVFZSA-N 372.380 2.871 0 1 FFAF O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 104267363 YMTWNUQMSIPQAH-UMNHJUIQSA-N 351.305 2.702 0 1 FFAF O=C(O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1 28461666 LEDWITUFBUQZSF-UHFFFAOYSA-N 363.373 2.935 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccc(C)cc5c4CCN3C[C@H]2CC[C@H]1O 2356821760 GELZMWSFAYTMRI-ZWIPKVPUSA-N 368.477 2.956 0 1 FFAF CC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 66112057 KDKMSGVVVBTEHY-UHFFFAOYSA-N 364.319 2.658 0 1 FFAF COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948150 BGCGXOOJJMGOQV-GEYGSZSDSA-N 353.466 2.894 0 1 FFAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C=O)CC2)OCO4 14612190 VYUJQWBAAMYCTH-AWEZNQCLSA-N 353.374 2.711 0 1 FFAF biogenic COc1cc(=O)n(C2CC2)c2c(C)c(N3CC[C@@H]([C@H](C)N)C3)c(F)cc12 1911570601 GXEFUMHLZSIODG-QWHCGFSZSA-N 359.445 2.966 0 1 FFAF Nc1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 45301585 UEMLNDCJYQMAEW-UHFFFAOYSA-N 354.801 2.781 0 1 FFAF Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1 95576395 DOQMMBVTJMYBSJ-UHFFFAOYSA-N 359.393 2.926 0 1 FFAF FC(F)(F)Cn1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cn1 96175995 LILKSOFUTNATBM-UHFFFAOYSA-N 366.343 2.749 0 1 FFAF CCOC(=O)Cc1cc(Br)c(O)c(Br)c1O 40834854 FCMUQIOKSBFZQC-UHFFFAOYSA-N 353.994 2.728 0 1 FFAF biogenic COc1ccc(CN2CCO[C@H]3CN(C4CCCC4)CC[C@@H]3C2=O)cc1 299842791 YWKRKYKOCIFVJV-PMACEKPBSA-N 358.482 2.687 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)cc3[nH]2)cc1 586946261 IFZZZGUEHOGAFY-UHFFFAOYSA-N 351.378 2.534 0 1 FFAF O=C(O)CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354845 RVYMAWWCJDKIDN-VQIMIIECSA-N 374.320 2.578 0 1 FFAF O=C(O)C1=C2CCCN2C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525559 MWXMENXDBOVDPI-NRFANRHFSA-N 367.401 2.634 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCC(=O)OC)c1)CC2=O 587475666 NGEXRGIEMNLBRJ-KRWDZBQOSA-N 358.394 2.811 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(=O)O)N1 587803302 OUSXBBPQBAOOIU-INWYIAFRSA-N 354.179 2.633 0 1 FFAF CCOCCCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 587434956 CPIVRENDBZNWMV-AVBTWRTFSA-N 359.466 2.950 0 1 FFAF CO[C@H]1CS(=O)(=O)c2cc(NC(=O)c3cc(Cl)ccc3O)ccc21 148027271 FBOJUENLVCQBTH-AWEZNQCLSA-N 367.810 2.773 0 1 FFAF COc1cc2ncnc(N3CC[C@@H](Oc4ccncc4)C3)c2cc1OC 14956474 IWUVRKQUYQTUCZ-CQSZACIVSA-N 352.394 2.700 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)[C@@H](C)N=O 169713206 NDPJNYXVIMENNG-NEPJUHHUSA-N 370.881 2.916 0 1 FFAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@@H]1N=CN2CCc1c[nH]c2ccccc12 1857574347 MNUXZVFMAVGUKB-LEWJYISDSA-N 371.444 2.520 0 1 FFAF c1cn(-c2ccc(CNCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1 210458646 XMWKKUVERSLVQM-UHFFFAOYSA-N 372.476 2.937 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@H]3CN(C)CC[C@H]32)cc(OC)c1OC 2016591 QZGOPRYNEGQTLA-NUEKZKHPSA-N 362.470 2.563 0 1 FFAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@@H]2[C@@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]13O 2356366841 RJRXULCIAXWXHS-JUYXKYRCSA-N 366.505 2.940 0 1 FFAF O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1cccnc1 103294490 JSJDAGWNTZYYDX-LJQANCHMSA-N 372.384 2.935 0 1 FFAF C[C@]1(O)C[C@@H]2OC(=O)[C@@H]3[C@@H]4CC[C@H]([C@@]15C[C@H](c1ccoc1)O[C@@H]5O4)[C@@]23C 2356411662 WFNOPFDDUYBCLS-XPXXWFKSSA-N 360.406 2.565 0 1 FFAF O=C(c1ccccn1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CSCC2 28123766 PQWTVTHBKJPIQO-UHFFFAOYSA-N 374.443 2.761 0 1 FFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)C2=C(COC2=O)[C@H]1OC(C)=O 2356466993 ZRLPTLKSJBPDJA-JEWRLFTDSA-N 350.411 2.549 0 1 FFAF COc1cc2c(cc1O)-c1c3c(c(OC)c4c1[C@H](C2)N(C)CC4)OCO3 2356479724 BSBJXLRRENMXCC-ZDUSSCGKSA-N 355.390 2.890 0 1 FFAF O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC(c2cc(=O)[nH]cn2)CC1 32537181 DJIRFUFHSZHYOA-AWEZNQCLSA-N 359.451 2.703 0 1 FFAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)ON=C1c1ncccc1C 61928660 MEZZEMFPNLKWMQ-AWEZNQCLSA-N 367.405 2.710 0 3 FFAF O=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O 219222928 OTPKNUJKFUZRDR-UHFFFAOYSA-N 353.378 2.571 0 1 FFAF Cc1cc(N2C(=O)c3nn(C)cc3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 220359378 FAMCYVZRWHZORW-QGZVFWFLSA-N 368.824 2.830 0 1 FFAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCC1 98084142 PJEVYNWMKMULAE-LIKPIUCQSA-N 372.468 2.974 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(O)c(C(=O)O)cc31)O2 587393861 APNIAGWBYIBNMS-LJQANCHMSA-N 354.362 2.573 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 586921167 DLZHCLWHTIHWDL-UHFFFAOYSA-N 371.462 2.649 0 1 FFAF Cc1ccc(-n2ccnc2SCc2nc3c(O)nc(O)nc3[nH]2)c(C)c1 586966834 SPTOGOZPLDJFJG-UHFFFAOYSA-N 368.422 2.859 0 1 FFAF CCNc1nc(Nc2cnn3c2[C@H](C)N(C)CC3)ncc1C(F)(F)F 205959518 HPGKXVFNOILWCK-VIFPVBQESA-N 355.368 2.874 0 1 FFAF O=C1N[C@H](C(=O)NCc2ccc(Cl)cc2)Cn2c1cc1ccccc12 1772578152 CXPVUDFNYPJKFS-HNNXBMFYSA-N 353.809 2.723 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)NCC3 14639582 AGLNIXNXUCXLBV-LBPRGKRZSA-N 357.406 2.837 0 1 FFAF biogenic Cc1nc2cccc(-c3cc4c([nH]3)[C@H](CO)NC4=O)c2nc1NC1(C)CC1 206088349 BMRHAWSJNXXRJI-HNNXBMFYSA-N 363.421 2.675 0 1 FFAF CCc1nc2c(N3CCNCC3)ccnc2n1Cc1ccc(F)c(F)c1 1857631458 OJJJAXFOKIFMLF-UHFFFAOYSA-N 357.408 2.730 0 1 FFAF O=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 581005 BKIXKBUXQUXJOF-UHFFFAOYSA-N 361.309 2.848 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1C[C@@H]1CCCO1 1355881 PVMTWPRKGONUHR-GJZGRUSLSA-N 366.531 2.903 0 3 FFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@@]34C 2356296733 NSOXQZVUDLTNIG-KDEBAQMFSA-N 357.450 2.869 0 1 FFAF CC(C)CCC[C@@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356360433 GCJJPODJRMDCOL-FXAWDEMLSA-N 362.422 2.872 0 1 FFAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cc(CO)no1 3590182 UNUNJLSUVBQXFC-UHFFFAOYSA-N 371.441 2.766 0 1 FFAF COc1cccc(N(C)C(=O)c2c(O)c3c(OC)cccc3n(C)c2=O)c1 100812821 FBMNFDOCALPCOM-UHFFFAOYSA-N 368.389 2.538 0 1 FFAF Cc1ccc(C)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12 8680723 QABPFBPAPADDSE-UHFFFAOYSA-N 356.447 2.666 0 3 FFAF O=C1CO[C@@H]2CN(C3CCC3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 2356286233 CBMBRRDYBSJGMJ-HZPDHXFCSA-N 370.371 2.549 0 1 FFAF O=C(O)CN1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 29327049 PNFIOJXYKLUAEJ-NRFANRHFSA-N 372.440 2.634 0 1 FFAF CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)O2)O1 26166969 RWTJAWXRNLZFQP-HWZOLEMKSA-N 356.503 2.951 0 1 FFAF CC1(C)CCC[C@]23[C@H](CCC4=C[C@H](O)OC4=O)[C@](C)(CC[C@H]12)O[C@H]3O 2356803153 WUDFSAICFQNOQL-AYZDMQBWSA-N 350.455 2.898 0 1 FFAF COc1ccc(COC[C@H](Cn2ccnc2)OCCCCC(=O)O)cc1 29474741 DFVGHBRADXBENG-SFHVURJKSA-N 362.426 2.749 0 1 FFAF Oc1cccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)c1 66258428 JSOCNTWEGGQJPW-UHFFFAOYSA-N 364.405 2.660 0 1 FFAF CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 34148669 NULFXNYRJYPFQC-VBRUSNCBSA-N 362.422 2.515 0 1 FFAF CC/C=C/C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O 33954016 OYPPJMLKAYYWHH-WFHCIOOKSA-N 368.470 2.545 0 1 FFAF in-man NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCC3 38619004 KJQKHOKMGWLAME-UHFFFAOYSA-N 351.424 2.815 0 1 FFAF C[C@]12CC[C@@H]3c4ccc(O)cc4C(NOCC(=O)O)=C[C@H]3[C@@H]1CC[C@@H]2O 199387197 BFHOOQCMCPNPKB-XQRBHQRSSA-N 359.422 2.623 0 1 FFAF Cc1ccnc(NC(=S)N2CCN(c3cccc(N(C)C)c3)CC2)c1 95568252 UUNJVMMWUYEWPX-UHFFFAOYSA-N 355.511 2.975 0 1 FFAF COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 653786704 QUKCQGCIXGTFIF-UHFFFAOYSA-N 359.389 2.699 0 1 FFAF COc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1 653831408 UTPNFCKIISZMII-LBPRGKRZSA-N 357.439 2.800 0 1 FFAF COc1cc(-c2cn(C)c(=O)c3ncccc23)cc(OC)c1CN(C)C 653899381 MTMDVAIOWKVHEN-UHFFFAOYSA-N 353.422 2.679 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587443137 UOMGUOBRHYLNHU-MGPUTAFESA-N 354.358 2.821 0 1 FFAF CC(C)OC(=O)C1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(F)(F)C1 587131413 GVZBTKZTDJJWTJ-LBPRGKRZSA-N 352.341 2.905 0 1 FFAF COc1cc2c3c(c1)O[C@@](Cn1cccnc1=O)(c1ccccc1)[C@@H](C2)C3=O 587442295 ICFKTAYJQNBHGA-JTSKRJEESA-N 374.396 2.595 0 1 FFAF CCc1cc(O)nc(SCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)n1 586966602 KYPJGWMZFISMPL-UHFFFAOYSA-N 374.422 2.708 0 1 FFAF CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](OC)O1 587616812 MCSZDUHBBLOQRA-XQUGKZNCSA-N 372.373 2.704 0 1 FFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(N)ncnc4[nH]3)c2)c1 587235906 SDKVXRFWHAXEDN-UHFFFAOYSA-N 358.405 2.553 0 1 FFAF COC(=O)c1ccc(C=O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442301 JQLSJBSLXGJGPI-BEFAXECRSA-N 352.342 2.783 0 1 FFAF O=C(NCCc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11937322 YLAOGXVXAWUSDJ-QGZVFWFLSA-N 371.868 2.833 0 3 FFAF COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OC 14436912 QVYSZKIZAPTGSX-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)NN/C(C)=C2\C=Nc3ccccc32)c1 15934494 SZZUUYPONPFXBU-NTCAYCPXSA-N 373.434 2.634 0 3 FFAF CC1(C)COCCN1C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1 208984714 UOYREAVBKXAAFN-UHFFFAOYSA-N 355.825 2.781 0 1 FFAF Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1nc(O)c2c(n1)CCC2 1857583771 ALAHXDBJLTUHDX-UHFFFAOYSA-N 355.442 2.570 0 1 FFAF O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)NC[C@@H]1CCCO1 4251263 VRLVZIJOFFADRB-HNNXBMFYSA-N 368.462 2.784 0 3 FFAF COc1cc(/C=C2/C(=O)NC(=O)/C2=C/c2ccccc2)cc(OC)c1OC 100041894 YQALUFAJAWGTQV-KAVGSWPWSA-N 365.385 2.836 0 1 FFAF investigational CC1(C)C(=O)c2ccc(Br)cc2[C@]2(c3cccc[n+]3[O-])O[C@H]12 29481999 UWANTPICMNHWNE-NVXWUHKLSA-N 360.207 2.947 0 1 FFAF Cc1csc2c(N3CCN[C@H](C(=O)Nc4ccc(F)cc4)C3)ncnc12 72156806 QJTLAUSNKCYMEL-AWEZNQCLSA-N 371.441 2.556 0 1 FFAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 14760214 NWFYESYCEQICQP-CVEARBPZSA-N 372.417 2.992 0 1 FFAF biogenic COc1c(O)c2c(c(OC)c1OC)OC[C@@H](Cc1ccc(O)cc1)C2=O 14758462 SZCVKSHTEKEQNX-LLVKDONJSA-N 360.362 2.558 0 1 FFAF biogenic O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 70455412 AWLJZFUREZNLGG-CYZGAOKHSA-N 370.357 2.538 0 1 FFAF biogenic,in-vitro CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(I)cc2C1 40835601 UORZNKDJMOSTPS-ZANVPECISA-N 358.223 2.507 0 1 FFAF CCCc1cc(N2CC[C@@H](O)C(C)(C)C2)nc2sc(C(N)=O)c(N)c12 45260907 CRXCSBGTZKOIPZ-LLVKDONJSA-N 362.499 2.527 0 1 FFAF CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224387 AEEOZSJTDKRIER-MRXNPFEDSA-N 366.421 2.640 0 1 FFAF CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC)cs1 82071846 OYKDFGZAUVNGBF-AWEZNQCLSA-N 364.492 2.910 0 1 FFAF CC(C)C[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95583160 MCQPMCDEXWCMDM-CYBMUJFWSA-N 354.433 2.983 0 1 FFAF COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 141774712 PCMIHVHYLHCSMN-QZCPTFHJSA-N 366.417 2.981 0 1 FFAF Cc1cccc(Nc2nc(N[C@H]3CCCNC3)nc3ccnc(O)c23)c1 299851161 AHCXENWSIKCTSI-AWEZNQCLSA-N 350.426 2.946 0 1 FFAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(N)=O)cc3[nH]2)cc1 586970726 PCRDMFSISCXEBL-UHFFFAOYSA-N 368.462 2.885 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587423117 UKKYIOWRUCNQOZ-DJJJIMSYSA-N 355.777 2.968 0 1 FFAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC 587394281 SUHOTWAFTUSEJA-IBGZPJMESA-N 358.394 2.879 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncnn2C)(C2CC2)N1 587760001 NKUYQPOGPKFUSA-XXFAHNHDSA-N 365.250 2.905 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ncnn2C)(C2CC2)N1 587756012 CMXTVSMHSZDPNG-ABKXIKBNSA-N 365.250 2.905 0 1 FFAF CCOC(=O)c1cccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963018710 DSRJEGQWDBQQTL-YEJXKQKISA-N 365.433 2.575 0 1 FFAF O=Nc1c([C@H]2C(=O)Nc3ccc(S(=O)(=O)O)cc32)[nH]c2ccccc12 169723262 ZSNHIQTXGFQNBW-ZDUSSCGKSA-N 357.347 2.897 0 1 FFAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N=C(N(C)C)NC(=N)N2)cc1 1857534787 LDQGSFAIPFCHBM-IBGZPJMESA-N 373.464 2.891 0 1 FFAF CCc1nn(CCCC(=O)NCCC(C)C)c(=O)c2cc3occc3n12 6807425 GFBIADTXMIHBGZ-UHFFFAOYSA-N 358.442 2.747 0 1 FFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc(F)c3)CC1)C2 117343372 DIXQEUSVVHCYGR-UHFFFAOYSA-N 367.424 2.545 0 1 FFAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCC3)C2=O)cc1 103243736 XJOISPUSGBRRSD-UHFFFAOYSA-N 365.433 2.866 0 1 FFAF COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)N32)OCO4)c1 25994600 MUZYGHAAHPZUBS-QZTJIDSGSA-N 370.361 2.726 0 1 FFAF COc1ccc(COC[C@@H](Cn2ccnc2)OCCCCC(=O)O)cc1 29474737 DFVGHBRADXBENG-GOSISDBHSA-N 362.426 2.749 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC=C[C@H]5NC4=C3C[C@@H]12 2356843787 NPGZYYULZQXTPH-GMLZMKKNSA-N 350.418 2.533 0 1 FFAF O=C1NCCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2)cc1 72107638 QVCHTACETVZXSS-UHFFFAOYSA-N 350.371 2.513 0 1 FFAF COc1ccc2c(c1)[C@@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 14917522 FTFWEINCEBLJFT-DLBZAZTESA-N 355.390 2.676 0 1 FFAF biogenic CCn1c(O)c([C@@](C)(NN)Nc2ccc(C)cc2)c(=O)c2ccccc21 19168305 VSKDZWWXBGVXBT-HXUWFJFHSA-N 352.438 2.784 0 1 FFAF biogenic COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(Cl)cc3[n+]2=O)cc1 49052467 UABWQCUUMBUGTQ-UHFFFAOYSA-O 374.804 2.694 0 1 FFAF CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cc(F)ccc1F 95794362 KUXSHBFDXGVUAL-UXHICEINSA-N 372.415 2.526 0 1 FFAF COc1ccc(C[C@H]2COC[C@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O 238742565 AOMUBLFRVWEUNV-BXTJHSDWSA-N 360.406 2.654 0 1 FFAF Cc1nc2c(C)n(C)nc2c(=Nc2cnn(Cc3ccccc3F)c2)[nH]1 473152139 SVVHWHAXGGQMHJ-UHFFFAOYSA-N 351.389 2.530 0 1 FFAF COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1OC 587789637 AEJQBIMTZRTEIF-UHFFFAOYSA-N 351.362 2.944 0 1 FFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587930657 FKTRQZHZRPENDQ-UGSOOPFHSA-N 357.435 2.664 0 1 FFAF CC(C)[C@@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587199204 ZYRADYHTIZUXCP-ZDUSSCGKSA-N 371.397 2.730 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=CN(CCOC)[C@H](C)C2=O)N1 962958528 UPUNMGSCNNMHLV-PZPWOCDFSA-N 353.466 2.721 0 1 FFAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12C=C[C@@H](O)OC2 961778793 SELPDOFKLLRWCD-LAUBAEHRSA-N 372.465 2.938 0 1 FFAF CN(C)[C@@H]1c2cc3ccn(S(=O)(=O)c4ccccc4)c3cc2[C@H]1CCO 1772603498 OCKYRBSJWIYEBM-UZLBHIALSA-N 370.474 2.961 0 1 FFAF O=C(O[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 169327499 OHNAGFMKBFJYRG-STQMWFEESA-N 367.188 2.570 0 1 FFAF COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)on2)c1 201713081 NNAKROUMKRVQEW-UHFFFAOYSA-N 366.421 2.655 0 1 FFAF CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccncc1 1857613092 RPYXDZWITIWTMX-IBGZPJMESA-N 362.433 2.701 0 1 FFAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1c[nH]c3ccccc13)CC2 1857655681 LHJWTRFFSNISDL-UHFFFAOYSA-N 350.470 2.563 0 1 FFAF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 4165891 YMTWNUQMSIPQAH-SCVCMEIPSA-N 351.305 2.702 0 1 FFAF CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)CC1 4845791 MUOAMTUYGRKATG-FDCRZUCXSA-N 364.445 2.870 0 1 FFAF C[C@@H]1CCCN(C(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)C1 4967586 KJCWKGGMKKAAJS-MYRDTQIVSA-N 360.473 2.899 0 1 FFAF COc1ccc(C(=O)c2nc3ccccc3nc2N2CCN(C)CC2)cc1 6480794 FYVZZDVFUCOAGZ-UHFFFAOYSA-N 362.433 2.621 0 1 FFAF CCOC(=O)c1cn(Cc2ccccc2)c2c(ccc3c2nnn3C)c1=O 28704629 ITBSPBZDHPKVTO-UHFFFAOYSA-N 362.389 2.508 0 1 FFAF CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccn1)c(=O)n2C 100054295 BYIIAFHAOQXULK-UHFFFAOYSA-N 355.419 2.638 0 1 FFAF OCCN1CCN(CCOc2ccc3c(c2)Nc2ccccc2S3)CC1 22933966 IXJQPIRYYHJXLV-UHFFFAOYSA-N 371.506 2.884 0 1 FFAF CC(=O)Nc1cccc([C@@H](C)Nc2c(Nc3ccncc3)c(=O)c2=O)c1 100081601 XYZXHSASVDSJGS-LLVKDONJSA-N 350.378 2.553 0 1 FFAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)ON=C1c1ncccc1C 61928659 MEZZEMFPNLKWMQ-CQSZACIVSA-N 367.405 2.710 0 3 FFAF Fc1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356468342 XWXMYXHJEPKFQH-SMDDNHRTSA-N 350.394 2.898 0 1 FFAF C[C@@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O 2356483111 WYPBFWKSQCZTAI-GNZBOIEZSA-N 352.390 2.617 0 1 FFAF CC=CC(=C[C@H](C=C[C@H](C)O)c1cc(NC(C)=O)c(OC)cc1O)CO 2356831907 JSTRQEVJCFDTEN-BBRMVZONSA-N 361.438 2.875 0 1 FFAF CCN1C(Nc2nc3ccc(OC)cc3s2)=NC[C@@]12CN1CCC2CC1 210819154 IANXFXWOSCOLOE-IBGZPJMESA-N 371.510 2.873 0 1 FFAF COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2c(ccc(C)c2C)OC1 1911574024 HRNUALJWKUFWAA-HNNXBMFYSA-N 364.781 2.645 0 1 FFAF COc1ccc(/C=C2/C[C@](CO)(COC(=O)C3CCCCC3)OC2=O)cc1 40872361 RTXGEYLCNCAZMP-LRJKXPEMSA-N 374.433 2.880 0 1 FFAF CNC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 224679383 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FFAF COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@@H](O)CNC(C)C)c1 1772602056 XBNIYPGUVGQODQ-AWEZNQCLSA-N 353.459 2.670 0 1 FFAF COCC1(NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772597729 HNSXLABYJREEJQ-HDJSIYSDSA-N 354.458 2.648 0 1 FFAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2cnnc12 1772571967 LDLCJJXQJNSUAB-UHFFFAOYSA-N 368.303 2.842 0 1 FFAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@H]2O 169319426 ORTSQCPKYOSLAD-IBGZPJMESA-N 367.840 2.824 0 1 FFAF O=C(Nc1cnn(S(=O)(=O)c2ccc3occc3c2)c1)c1ccccn1 206056568 WEVFKWRJCIIPRR-UHFFFAOYSA-N 368.374 2.514 0 1 FFAF O=S(=O)(Nc1nnc(C(F)(F)F)cc1O)c1cc(F)cc(Cl)c1 1857548484 SOTHPZUGJRTUIP-UHFFFAOYSA-N 371.699 2.794 0 1 FFAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC(C)C)c2c1C 753843 HCKXEKVWRFZSJM-UHFFFAOYSA-N 351.428 2.712 0 1 FFAF O=C(NC1CC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 3587788 XFXGEJSKIBPCPT-UHFFFAOYSA-N 353.827 2.940 0 1 FFAF CCOc1cc2ccc(OCCn3c(CC)nc(C)cc3=O)cc2oc1=O 26575767 FIWXVBBBEIDFPC-UHFFFAOYSA-N 370.405 2.698 0 1 FFAF COc1ccc(CN(C)CC[C@H]2CN(C)C(=S)c3cccnc3O2)cc1 26289969 FYMHLOFZFITERO-KRWDZBQOSA-N 371.506 2.981 0 1 FFAF CCOC(=O)c1nc(Nc2ccc(OC)cc2OC)c2c(C)noc2n1 21937709 CSZRBDQQYLXGCD-UHFFFAOYSA-N 358.354 2.864 0 1 FFAF O[C@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(CCCc2ccccc2)C1 2356867377 WRFZJUVYJHEHFS-WMZOPIPTSA-N 350.422 2.872 0 1 FFAF O=c1[nH]ccc2c(Cc3nnc4ccc(N5CCCCC5)nn34)cccc12 73196758 ZLUHAKANEOYBRI-UHFFFAOYSA-N 360.421 2.547 0 1 FFAF COC(=O)C1=CN[C@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 40640969 QRQPCYRAKCACCD-XKHMPKOFSA-N 351.450 2.752 0 1 FFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40860284 VRFOZSNKUVGHRO-FUIJVIPGSA-N 372.339 2.966 0 1 FFAF N#Cc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3S2(=O)=O)cc1C(F)(F)F 43194353 NJQLNHCLCWBGEV-FMRSBHEDSA-N 354.353 2.918 0 1 FFAF C[C@@H]1CCCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)C1 136406480 JSAASMWQWMCMJD-OFWFEXPASA-N 356.451 2.954 0 3 FFAF COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 84709891 DHBRATZSWLXXFK-KRWDZBQOSA-N 372.513 2.719 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nccn4c3)CC2)c1 95567582 VUCLMZUURJYABZ-UHFFFAOYSA-N 366.494 2.865 0 1 FFAF OCCn1cc(-c2cnc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144890779 ISBCJTHXDGZWIO-QGZVFWFLSA-N 361.323 2.716 0 1 FFAF COCCCN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1 653804950 AHVSSULYWCJAOD-UHFFFAOYSA-N 358.486 2.688 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587447688 CWGQRGHAHRYFIX-HNAYVOBHSA-N 358.415 2.675 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COC1CCOCC1 587612468 UVYCSCUALXAMIY-ROUUACIJSA-N 356.374 2.918 0 1 FFAF CCCOc1cc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br 587236136 SVPYFZFMYRBUDA-RKDXNWHRSA-N 352.232 2.964 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CS(=O)(=O)N(C)C)(C(C)C)CC2=O 587486088 LHPMGISFFWQCMV-SFHVURJKSA-N 369.483 2.596 0 1 FFAF CS(=O)(=O)N1CCCC[C@@H]1[C@H](O)Cn1c2ccccc2c2ccccc21 223901463 AITVKXKDZNBQNA-WOJBJXKFSA-N 372.490 2.970 0 1 FFAF COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O 13473210 YKVBFMDDXCMYHI-UHFFFAOYSA-N 350.374 2.910 0 1 FFAF CCOC[C@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=N)c3c2Cl)O1 169345492 MFQNIUYTVMQUCN-VIFPVBQESA-N 366.801 2.654 0 1 FFAF NC(=O)[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 165919080 LIJVDSICFNWJFS-CQSZACIVSA-N 353.407 2.553 0 1 FFAF CCn1c(CS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 1857748904 GOUIHHLUCPJMGL-UHFFFAOYSA-N 357.435 2.989 0 1 FFAF CCc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 601833 FVASPVMUIHTHCA-UHFFFAOYSA-N 370.477 2.899 0 1 FFAF CCOC(=O)C[C@H]1C[C@H](n2cc(-c3ccccc3)c3c(N)ncnc32)CN1 27986577 NSBNFOWYPJTLFF-CABCVRRESA-N 365.437 2.537 0 1 FFAF CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1 63540129 HDIIEJQPCDNNML-UHFFFAOYSA-N 366.469 2.868 0 1 FFAF CC[C@@]12CC[C@@]3(CO)[C@@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]531)CN2O 2356518543 UPUSDFICAYQOLV-VXYGLIEZSA-N 361.482 2.908 0 1 FFAF c1ccc2c(c1)OC[C@@H](CNc1ncnc3c1nc1n3CCCCC1)O2 21870977 BSZBTYUUGSBGQA-CYBMUJFWSA-N 351.410 2.805 0 1 FFAF C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]4(CCC(N)=O)[C@H]2[C@H]1CC[C@@]34CO 2356544299 KJPPAWUWLMKICL-HKPPRHBDSA-N 358.526 2.707 0 1 FFAF CCCc1c(OC)c(=O)c([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)cn1C 2356730452 IJABLVFJXHOHPJ-SFHVURJKSA-N 373.405 2.623 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CN)n1 2356816549 DCKBBOCQTCSAEI-WDSOQIARSA-N 351.498 2.655 0 1 FFAF FC(F)(F)c1ccccc1-c1cc(NCCN2CCOCC2)ncn1 33361843 MMPVGWFBBFDPMS-UHFFFAOYSA-N 352.360 2.907 0 1 FFAF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@@]1(O)C=CO[C@H]1O4 13374603 SHQCFFLCIPXBLN-ROUUACIJSA-N 374.732 2.764 0 1 FFAF biogenic C[C@H](N)C(=O)Nc1nc2c(s1)CCCC[C@H]2C(=O)NCc1ccccc1 45245888 VQEHUSZRPBZZLV-GXTWGEPZSA-N 372.494 2.555 0 1 FFAF F[C@@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84670363 UUFSQJFGDUISMZ-CQSZACIVSA-N 353.511 2.931 0 1 FFAF Nc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2cc(F)sc2n1 45374773 UDWBUSFABNOQFQ-UHFFFAOYSA-N 363.462 2.642 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@@](O)(CF)c4ccccc43)c(F)c2)cn1 95594672 GSNNQQBRBAXDSU-HXUWFJFHSA-N 369.371 2.930 0 1 FFAF O=c1[nH]c([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12 95591618 CJDWZZDGEKRVQD-ZWKOTPCHSA-N 357.417 2.784 0 1 FFAF COc1ccc2c(c1)CCCN2c1nc(=NCCCO)[nH]c2ccccc12 473108875 PHNRBHRKGKZUOE-UHFFFAOYSA-N 364.449 2.939 0 1 FFAF CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc21 653798081 LMHRKKARHMUHMN-UHFFFAOYSA-N 364.384 2.651 0 1 FFAF COc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(OC)c1O 587786814 YAXMLURBXISLHN-UHFFFAOYSA-N 369.421 2.785 0 1 FFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586962395 DULCKKJQQPGCMB-ZDUSSCGKSA-N 368.426 2.586 0 1 FFAF COC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832489 CAPNIFDNVFHKPY-RBIVETJNSA-N 372.234 2.527 0 1 FFAF COc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127155 MQJRVGVPOUIQCE-UHFFFAOYSA-N 357.313 2.927 0 1 FFAF CN1CCN(c2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)CC1 587566214 ATPNCTZPCAOLRI-UHFFFAOYSA-N 364.449 2.749 0 1 FFAF Cc1ccc(C)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 586941761 BFPZXKGLHIWHOO-UHFFFAOYSA-N 364.858 2.749 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O 587452251 NRMOXGKMGMOGNX-MGPUTAFESA-N 370.426 2.906 0 1 FFAF O=C(O)c1cccnc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 586966974 OELOOGOXIIVEOO-UHFFFAOYSA-N 355.301 2.709 0 1 FFAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O 586991320 SWSDJROWTGDDMP-LBPRGKRZSA-N 359.337 2.835 0 1 FFAF COC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793253 NBFYYYKWIBXVML-RFAUZJTJSA-N 360.223 2.527 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@@]12CCc1nc3nc(O)nc(O)c3cc1C2 587557867 MGIFDRIFVOPGEL-IBGZPJMESA-N 372.425 2.694 0 1 FFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(S)n1N 587860777 CGMHODMPUPAODC-UHFFFAOYSA-N 371.253 2.839 0 1 FFAF CC(C)c1nn(C)c2c1[C@]1(CCCCC[C@@H]1CN1CCC[C@H]1CO)NCC2 962923239 YPSXZQLGPAGFJM-KGVIQGDOSA-N 374.573 2.922 0 1 FFAF CN1CCc2cn(C)nc2[C@]1(CC(=O)C(F)(F)F)c1ccc(F)cc1 963956367 XKSIWYIDSRAISC-INIZCTEOSA-N 355.335 2.812 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3ccc(-n4ccnn4)cc3)c3cccc1c32 963026098 NFZNAKPLMKPAHU-SZNDQCEHSA-N 359.433 2.584 0 1 FFAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ccns2)c2ccccc12 1772648504 ZZBUIWYZYJSJJO-PBWFPOADSA-N 369.446 2.763 0 1 FFAF Cc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1 13832819 APNUUWRUFIFMKH-UHFFFAOYSA-N 373.420 2.737 0 1 FFAF C[C@H]1SC(N)=N[C@@]2(c3cc(-c4cncnc4)ccc3F)COCC[C@@H]12 169711640 ACZODTCKQQJIBF-VZSAFFHGSA-N 358.442 2.965 0 1 FFAF COc1cc([C@H]2Oc3ccc(C=CCO)cc3[C@@H]2CO)cc(OC)c1OC 2356332453 FKFHXYWDVKLRMA-OXJNMPFZSA-N 372.417 2.928 0 1 FFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2c1NON2 66075740 XEAVDDGTTWTWSB-MRXNPFEDSA-N 373.409 2.730 0 1 FFAF Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccccc2)c1 114079620 DTPXJVVBPLQWBN-UHFFFAOYSA-N 355.829 2.800 0 1 FFAF Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21 28525111 IQEHGRUTXLWRNS-UHFFFAOYSA-N 361.361 2.917 0 1 FFAF CC(C)[C@]1(O)C=C[C@@](C)(O)CCC(=O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356465099 ZRSVCIGMOMWILW-XUVXKRRUSA-N 350.455 2.846 0 1 FFAF CNC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 2356583606 AESIFKLOXJZGEK-WOJBJXKFSA-N 365.477 2.597 0 1 FFAF COc1cc2nc(N3CCCN(C)CC3)nc(NC(C)C)c2cc1OC 36382501 BWYAJHPZOGUXHA-UHFFFAOYSA-N 359.474 2.609 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2O)CC3=O)O1 13379881 JXVOAHGNNBAJCD-ROUUACIJSA-N 356.374 2.879 0 1 FFAF biogenic Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccc1N 40421031 WWOPWFVSAGTDTP-UHFFFAOYSA-N 365.389 2.959 0 1 FFAF Cc1ccc(C(=O)NCCNc2nccc(-n3ccc4cccnc43)n2)cc1 1911580065 BYCZZISVGWAOBB-UHFFFAOYSA-N 372.432 2.966 0 1 FFAF N[C@H]1CCC[C@@H]1Oc1cncc(-c2cc3c(cn2)cnn3-c2ccccn2)n1 224869133 FHESSCZVRQCSRX-KSSFIOAISA-N 373.420 2.531 0 1 FFAF CNc1nc(N2CCC[C@@H]2CN2CCN(C)CC2)nc2ccc(Cl)cc12 40828842 WCLMWQNKAQWYQD-OAHLLOKOSA-N 374.920 2.541 0 1 FFAF CCCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231364 HHMSVVFDLSXDCL-UHFFFAOYSA-N 352.438 2.660 0 1 FFAF C/C=C\[C@]12CCN3[C@H](C1)c1[nH]c4ccccc4c1C[C@@H]3[C@]2(CO)C(=O)OC 238775982 QKDZPXLVEASJMP-JADUBYJLSA-N 366.461 2.957 0 1 FFAF CC1(C)Oc2ccc(-c3cc(F)ccn3)cc2[C@@]2(COC(N)=N2)C12COC2 149409709 UNACISPQELMJNE-FQEVSTJZSA-N 369.396 2.616 0 1 FFAF CCC(CC)CN[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O 299838508 UVEYGLMSNYNFPA-IPMKNSEASA-N 368.518 2.874 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895630 QMJSJIXXIRMUGZ-UHFFFAOYSA-N 359.451 2.753 0 1 FFAF O=C(O)CC1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355457 UZBFUFGAWIVIBC-QGZVFWFLSA-N 374.320 2.578 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C 587239671 MYRYRQHWJMSKKP-ZKTNFTSUSA-N 373.457 2.860 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587449737 REEPSGYWCNTDMA-KBXCAEBGSA-N 359.403 2.555 0 1 FFAF CCc1cc(=O)oc2cc(OCc3ccc4c(O)nc(O)nc4n3)ccc12 587562607 HNNOCDUNXGQBAU-UHFFFAOYSA-N 365.345 2.684 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)nc(OC)c1OC)[C@@H](C2)C3=O 587435755 JLOKGHQJWZNLIY-GTNSWQLSSA-N 357.362 2.605 0 1 FFAF O=S(=O)(c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1)C(F)(F)F 587085765 GLCQWYPNKJGABN-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF Clc1cccc2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 963392426 ZWNXQPMRMDMQER-ATWZOQCLSA-N 355.865 2.812 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C[C@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 5126438 GUAPJNKJZHLRHT-MAUKXSAKSA-N 371.458 2.733 0 1 FFAF NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1 1857745983 GFVPGEJCRVWXDS-GOSISDBHSA-N 358.917 2.990 0 1 FFAF CCN(CC)CCOc1c(NC(=O)NC)c(OC)c2ccoc2c1OC 29400058 LCNHRXWPYBRJOK-UHFFFAOYSA-N 365.430 2.922 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)[C@@H]1C[C@H](O)[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356505015 NVCAZSJTTWNUBW-GGSUAZLGSA-N 362.466 2.893 0 1 FFAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCC3)CC(=O)N21 5977570 QZISRCYVPVJFOZ-QGZVFWFLSA-N 351.450 2.941 0 1 FFAF biogenic Brc1ccccc1-c1nc(CNCCN2CCOCC2)co1 72183667 QDFJDEPTHVTWRJ-UHFFFAOYSA-N 366.259 2.526 0 1 FFAF COc1cc(C[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]2CO)ccc1O 14642174 BPFMIGSYZMRFMB-STXHMFSFSA-N 358.390 2.668 0 1 FFAF biogenic CS(=O)(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49055710 CJRFQEPRQVEVCZ-FQEVSTJZSA-N 373.474 2.767 0 1 FFAF CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 40576000 UOQYIXROQIKTLQ-LJLKPOLSSA-N 371.485 2.937 0 1 FFAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCNC(C)=O 82186306 YGHCSIBBRVIQMG-UHFFFAOYSA-N 356.430 2.825 0 1 FFAF C[C@@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035484 MXCHFWLKPVDOPC-RKDXNWHRSA-N 373.356 2.765 0 1 FFAF CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195064187 XXYXPBFLSNTPKS-FRMAADGPSA-N 369.461 2.529 0 1 FFAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCCCC3)c21 96021152 QOBLBGXWTPQBPC-KRWDZBQOSA-N 372.490 2.959 0 3 FFAF COc1ccc2[nH]c(-c3ccc(NC(=O)CSCC(=O)O)cc3)nc2c1 299837522 QYXHCFDFELNEMA-UHFFFAOYSA-N 371.418 2.995 0 1 FFAF Nc1ccnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 587001416 ZEWQUUWXKUEVDK-UHFFFAOYSA-N 373.166 2.782 0 1 FFAF CCOC(=O)C(=O)C[C@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 587415295 ZQVJEFSRIKEPDF-IBGZPJMESA-N 357.362 2.553 0 1 FFAF COc1ccnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868444 LJWDYRDQZMOUCU-UHFFFAOYSA-N 351.288 2.760 0 1 FFAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1ccc2c(O)nc(O)nc2n1 587558680 CDXVYGUMKATPQN-AWEZNQCLSA-N 353.378 2.634 0 1 FFAF CC(=O)N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 587205776 FFLGZDMARLAUQI-LBPRGKRZSA-N 374.242 2.795 0 1 FFAF C/C(=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NCCO 587758623 YOHWQGXEOIYNKR-BARXAVIFSA-N 357.267 2.823 0 1 FFAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCOCC1 587623902 SYFPQRDPBHWCEV-UHFFFAOYSA-N 363.215 2.588 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cnc(Cl)[nH]c-2n1)C[C@H]1CCCO1 587197357 NSCUSQPPQUWMRN-SNVBAGLBSA-N 367.837 2.874 0 1 FFAF Cc1nc(O)ccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970266 RHTWIUCHDJMECF-YVEFUNNKSA-N 368.767 2.890 0 1 FFAF COc1ccc(-c2[nH]ncc2CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1F 11820390 NYGHLIUKQJTMIN-HNNXBMFYSA-N 360.433 2.713 0 3 FFAF C[C@@H]1C[C@H](O)C(=O)C(C)(C)CC[C@@H]2O[C@]23C(=O)O[C@H](c2ccoc2)C[C@H]13 14694683 LPDOLIVBSRFDNT-CEEBMZRGSA-N 362.422 2.798 0 1 FFAF biogenic CN(Cc1cccc(Br)c1)c1ccc2nc(N)nc(N)c2n1 26502051 PRLCZQKWEHHABL-UHFFFAOYSA-N 359.231 2.588 0 1 FFAF COc1cc([C@@H]2Oc3cc4c(cc3O[C@H]2CO)CC=CO4)cc(OC)c1O 2356565024 MHEZAZVUYYHZAE-ICSRJNTNSA-N 372.373 2.731 0 1 FFAF N[C@@](CC(Cc1ccccc1)Cc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 27107478 IVCCJQSSJYEWAF-CNNODRBYSA-N 367.445 2.981 0 1 FFAF CN(CC[C@@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)O)c1ccccc1 2356814338 CAKJYGVHEYUTOE-JKSUJKDBSA-N 371.437 2.754 0 1 FFAF O=C(O)c1ccc(Cl)cc1O[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 34021933 QGSFJJZYZJZLHV-QPPBUOOMSA-N 353.802 2.648 0 1 FFAF COc1c(O)cc2c(c1O)C(C)(C)O[C@H]1Cc3c(O)cc(O)cc3O[C@@H]21 15149801 UEYVPAAGIXRIKF-YOEHRIQHSA-N 360.362 2.828 0 1 FFAF biogenic CCCN1C(=O)N2C(=NC[C@@H]2C)c2[nH]c(C34CCC(O)(CC3)CC4)nc21 36273991 IMQKVJBKURMEDI-RMEHTXHKSA-N 357.458 2.547 0 1 FFAF NC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34804161 BDYKPQNWMJIKON-UHFFFAOYSA-N 371.352 2.676 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 40670189 ZGINMMAZDQRTDJ-AEEFJYCBSA-N 353.462 2.960 0 1 FFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@@H](CO)c3ccccc3)c2)n1 89469234 NDOCIMFSMXVIQA-KRWDZBQOSA-N 365.437 2.675 0 1 FFAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCC2(CC2)C1 146270411 BIAMXSVOLQJRGE-UHFFFAOYSA-N 363.408 2.952 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 95798030 PTKQWCOSPHHWRV-LPPZLAOVSA-N 362.473 2.891 0 1 FFAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 618017769 PDDYDRCWVMNOMB-GFCCVEGCSA-N 364.389 2.565 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586879782 NMSZSABCCKQIFK-YFHOEESVSA-N 371.418 2.578 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587223320 BUGLMVOJSYWFLF-UHFFFAOYSA-N 366.377 2.536 0 1 FFAF COc1cc(N)c(I)cc1-c1nc2cccnc2[nH]1 587178803 LPPTTZDLELXWBG-UHFFFAOYSA-N 366.162 2.820 0 1 FFAF NS(=O)(=O)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068252 NOMBSMTXKDQEFP-UHFFFAOYSA-N 373.825 2.921 0 1 FFAF C=C1C=C(C)N2NC([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)=NC2=N1 587483396 MFSLNTIMCXAVGM-MRXNPFEDSA-N 352.394 2.684 0 1 FFAF COC(=O)c1c(C)oc2c1[C@]1(CCC2)NCCc2c1c(C(C)C)nn2C 962904097 BHCVVDFWZBJBFL-HXUWFJFHSA-N 357.454 2.957 0 1 FFAF CC(C)c1nn(C)c2c1[C@]1(CCCCC[C@@H]1CN1CCC[C@@H]1CO)NCC2 962923234 YPSXZQLGPAGFJM-JBYIUTFZSA-N 374.573 2.922 0 1 FFAF O=C(CCC1CCN(C2CSCCSC2)CC1)NC[C@@H]1CCCO1 11841106 REZVOIHYNLDOFL-KRWDZBQOSA-N 372.600 2.622 0 1 FFAF COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@@H]4[C@H](C2)N(CC2CCC2)CC[C@]314 169373175 FKJWXENQWKBJRW-RXTNVINUSA-N 367.489 2.751 0 1 FFAF Cc1nc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)no1 169708468 ULVIMNOZDYOJLV-VAHXTSCQSA-N 366.393 2.691 0 1 FFAF CC1=N[C@]2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)N=C1N 169708514 ORODGGDDUAZWGL-GOSISDBHSA-N 369.812 2.754 0 1 FFAF CCN(C(=S)NCCCn1cncc1C)c1ccc(OC)c(OC)c1 1857542430 NWNYHANFEKHZKU-UHFFFAOYSA-N 362.499 3.000 0 1 FFAF CC(=O)O[C@H](C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1 107379319 YHWNKTBEAKNGST-SFHVURJKSA-N 368.393 2.779 0 1 FFAF C[C@@H]1[C@@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)CCC[C@H]1C 105459095 FFXAWHZUOJBTLU-ILXRZTDVSA-N 370.453 2.963 0 3 FFAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCCCCC2)c1 27193120 SXGGEUSRRFPPEB-UHFFFAOYSA-N 368.865 2.540 0 1 FFAF COc1cccc(N2CCN(CC[C@@H](O)COc3ccccc3)CC2)c1 29487070 QPICHVSQEXFDIS-LJQANCHMSA-N 356.466 2.647 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@H]2[C@@H](O)CO 2356605651 NGYONPIMXAHRCT-OOFQITIDSA-N 350.499 2.538 0 1 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356620138 GJDZRPOUHQJHNI-CRAIPNDOSA-N 356.401 2.706 0 1 FFAF COc1cc(C[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]2CO)ccc1O 14642169 BPFMIGSYZMRFMB-SXGZJXTBSA-N 358.390 2.668 0 1 FFAF biogenic COc1c(O)c2c(c3c1[C@H](CO)OC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 14816271 VFAWCZCJUTVMRS-QSRBQVKKSA-N 374.433 2.814 0 1 FFAF biogenic CCN1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)CC1 82202686 QSCLQSGCANYYNH-UHFFFAOYSA-N 368.529 2.865 0 1 FFAF CCCNC(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459675 QVIMOCRSPDZYEW-QGZVFWFLSA-N 374.824 2.975 0 1 FFAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCN1CCCC1 98084144 PJEVYNWMKMULAE-UJKMTWAASA-N 372.468 2.974 0 1 FFAF C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)C=C(C)CC[C@@H]1O 299806734 OLVXTGNQLBNUDD-AVAJHHDCSA-N 350.455 2.868 0 1 FFAF O=C1N[C@@H]2[C@@H]3O[C@@H](O1)[C@@H]2CC3(OCc1ccccc1)OCc1ccccc1 299816804 SFZWSXJPRKAORB-XWSJACJDSA-N 367.401 2.970 0 1 FFAF Cc1[nH]nc(O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)nc(S)nc1O 653764472 TYFQMMUOLAZYGE-SNVBAGLBSA-N 364.814 2.747 0 1 FFAF CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587169722 IRCZFCSDPNLYNE-UHFFFAOYSA-N 361.398 2.725 0 1 FFAF O=C(N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587201984 FCIGVNPUAPFMAA-LBPRGKRZSA-N 374.784 2.533 0 1 FFAF CN(C)C(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587197656 RKRVGFICFIHCGA-UHFFFAOYSA-N 350.138 2.975 0 1 FFAF Cc1cc(F)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 586942011 FXBVHDNCOAXENZ-UHFFFAOYSA-N 368.821 2.580 0 1 FFAF C[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173329 BPIIJEIUBRHPRM-HNNXBMFYSA-N 362.411 2.698 0 1 FFAF CN(C)CCOc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924661 SSDJOMUZMOKPAE-JLHYYAGUSA-N 371.462 2.948 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(F)(F)F)N1 587708529 YRKHAZIGPJTQKA-DYEAUMGKSA-N 356.113 2.965 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586896357 BSZXLMXDLORVDJ-UHFFFAOYSA-N 357.435 2.599 0 1 FFAF O=c1cccc(-c2nc3ncncc3[nH]2)n1CCOc1ccccc1Cl 587064100 MHMJCVWAXCVXMZ-UHFFFAOYSA-N 367.796 2.914 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@@H]2CCO)N1 587763433 ZANMLVVHALFVOT-ZUCKAHLUSA-N 371.294 2.652 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(C)C1 587863966 UWKUFPHSFWBFTO-SNVBAGLBSA-N 367.327 2.696 0 1 FFAF NC(=O)c1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586985054 XLYDKGRIJFHXMO-LBPRGKRZSA-N 359.227 2.667 0 1 FFAF Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@H](N(C)c2ncc(F)cn2)CC1 203540965 BMBBREHGFLEDIE-AWEZNQCLSA-N 368.412 2.957 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(-c3ccc(F)cc3)cn1)C2 209509748 YANRSNFKZYPVNQ-CQSZACIVSA-N 356.313 2.832 0 1 FFAF CC(=O)c1cccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 1857773488 LBSBILMHBNCRDM-UHFFFAOYSA-N 352.379 2.831 0 1 FFAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC(C)(C)C 2356302112 MDMUXIUDEOUQJW-CABCVRRESA-N 351.878 2.506 0 1 FFAF COc1ccc(-c2noc([C@H](C)NC(=O)C3CCOCC3)c2C(=O)O)cc1 2356345551 URNANNRJYDABGY-NSHDSACASA-N 374.393 2.652 0 1 FFAF CC[C@H](C(=O)NC1CCCC1)n1c2ccccc2c2nc(=O)cc(C)n21 6794756 DVGTYMQTIPLDJU-MRXNPFEDSA-N 352.438 2.968 0 3 FFAF COc1cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2CO)ccc1O 2356375483 FHYQIQMSODIFCP-AUUYWEPGSA-N 372.373 2.717 0 1 FFAF CC(=O)Nc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)cc1 101498591 QFTHWYPEUHPDEL-HUUCEWRRSA-N 357.406 2.766 0 1 FFAF CC[C@@H](CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 61925713 BBSXOGXVZJOBKU-ZDUSSCGKSA-N 372.425 2.605 0 3 FFAF N#Cc1ccc(N2C(=O)CC[C@@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F 115763802 DCOLZOQRXPGYCC-PWSUYJOCSA-N 352.234 2.996 0 1 FFAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1 34641158 HJVGEURXALHFBQ-UHFFFAOYSA-N 371.481 2.892 0 1 FFAF O=C1OC[C@@H]2Cc3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)[C@H]12)OCO4 14676852 SCTKDFCQZSBHEE-YXKWSERDSA-N 352.342 2.621 0 1 FFAF biogenic COc1cc(OC)cc([C@@H]2OC[C@H](Cc3ccc(O)cc3O)[C@@H]2CO)c1 14641862 PIIRZBCQJFAHCK-DCPHZVHLSA-N 360.406 2.654 0 1 FFAF biogenic O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccc(F)c1 40639900 PGDHKRYSZHNTQA-FPOVZHCZSA-N 355.409 2.699 0 1 FFAF Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C 40974431 FTQWKXRWLDQPEE-OALUTQOASA-N 360.421 2.602 0 1 FFAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@H]1[C@H]2C(=O)OC 238741484 GZTGPKOSHVZHKN-OXQYBPPISA-N 356.466 2.893 0 1 FFAF COc1ccc(-c2cccn3nc(Nc4cnn([C@H](C)CO)c4)nc23)cc1 96282532 SOAZJXRYDAOFEW-CYBMUJFWSA-N 364.409 2.898 0 1 FFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCCC1)CC31CN(C)C1 95796305 SPSBXYBSNHZJTP-LJQANCHMSA-N 369.509 2.899 0 1 FFAF O=C(C[C@@H](CO)c1ccc(OCc2ccccc2)cc1)N1CCOCC1 473153311 ADWLCZWHRYRYBG-IBGZPJMESA-N 355.434 2.590 0 1 FFAF COc1cc(-c2nnc3nc(O)c4ccccc4n23)cc(OC)c1OC 653702321 XYPIMIOOXQLPBF-UHFFFAOYSA-N 352.350 2.676 0 1 FFAF CNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653724624 QUJYHRIZUONGII-SFHVURJKSA-N 361.401 2.690 0 1 FFAF Cc1cnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 586955310 OXBMIVXJHXQLLR-UHFFFAOYSA-N 362.842 2.981 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587202055 BEDBZZQWWAOWGJ-GFCCVEGCSA-N 374.338 2.800 0 1 FFAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CN1C 587582465 LKIDIESMZYJPOP-PXNSSMCTSA-N 351.358 2.511 0 1 FFAF O=C(CCc1nc2cc(F)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023473 CDKNJIYMYIXADS-UHFFFAOYSA-N 369.385 2.582 0 1 FFAF Cn1nc(C(=O)O)c2c1CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587516276 RCQRERHAGWUUFV-OAQYLSRUSA-N 366.417 2.890 0 1 FFAF O=C(Cn1nnc(-c2ccccc2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587875701 KZEGQMSSYXSNDX-UHFFFAOYSA-N 362.324 2.789 0 1 FFAF N=c1[nH]ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004230 RUAZYZNPGGSCJK-QMMMGPOBSA-N 373.210 2.768 0 1 FFAF CC(C)n1cnc2c(NCc3cccc(O)c3)nc(NCCCO)nc21 13819455 QPTBELAWJUCTND-UHFFFAOYSA-N 356.430 2.519 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c3c(c4c1[C@H](C2)N(C)CC4)OCO3 14616197 WVFYXDXLDUXBOO-LBPRGKRZSA-N 355.390 2.890 0 1 FFAF biogenic,in-vitro COc1ccc(Cc2nccc3ccccc23)c(NC(=O)CN)c1OC 169323666 QSAKWIMHNDFBLM-UHFFFAOYSA-N 351.406 2.740 0 1 FFAF O=C(CCNC(=O)N1Cc2ccccc2C1)NCCCc1ccccc1 167156197 GVRXQQTUPZBVHK-UHFFFAOYSA-N 351.450 2.851 0 1 FFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055075 BNPBVBSGOADZPG-INMHGKMJSA-N 362.813 2.912 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(C(F)(F)F)cc4Cl)C(=O)[C@@H]13)O2 4237633 QLXZJAHCWHTALL-OHTBPHCPSA-N 373.714 2.730 0 1 FFAF COc1cc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c(O)c1OC 6483531 WLBRDEZXTKMHFM-LLVKDONJSA-N 362.378 2.851 0 1 FFAF biogenic,in-vitro CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cn[nH]c3)sc12 53295666 BXSPHELRNIKWCY-UHFFFAOYSA-N 359.411 2.653 0 1 FFAF Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 103548147 RFIDYKGGYOLFMN-GFCCVEGCSA-N 363.398 2.684 0 1 FFAF O=C(Nc1cccnc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61930634 WFEJISJAWIIXTF-SFHVURJKSA-N 361.357 2.815 0 3 FFAF COc1cc(-c2nnc(COc3cc(=O)oc4ccccc34)[nH]2)ccc1O 103221972 JDXPSTFKDIUCEA-UHFFFAOYSA-N 365.345 2.871 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](N)[C@@H]2C(=O)N3)cc1 2356859179 SRTYLZFQJNRSFK-NVXWUHKLSA-N 353.447 2.569 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@H](O)C3=O)O1 2119734 IQOIPKBZJPSWAV-MSOLQXFVSA-N 356.374 2.879 0 1 FFAF biogenic CS(=O)(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 49055707 CJRFQEPRQVEVCZ-HXUWFJFHSA-N 373.474 2.767 0 1 FFAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC[C@@H]1CCCN1C 82070775 PHDRXXVLXZPAJN-HIFRSBDPSA-N 373.478 2.566 0 1 FFAF Cc1cccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 45367739 BGYAOSLJUWGONG-SFHVURJKSA-N 370.449 2.676 0 1 FFAF COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82141469 DYTFKGXLIMBLNE-UHFFFAOYSA-N 372.444 2.895 0 1 FFAF Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(Cl)cc3)c(=O)c12 49784412 WTCMFNOFAUCFRP-UHFFFAOYSA-N 360.826 2.575 0 1 FFAF CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 473119859 MUEWXKPDASKSLU-UHFFFAOYSA-N 354.362 2.643 0 1 FFAF COc1ccc2c(c1)C(=O)O[C@H](CCCn1nnnc1-c1ccccc1)C2 653711387 HLIQQUVHOWQPQW-QGZVFWFLSA-N 364.405 2.911 0 1 FFAF O=C1C[C@H](Cc2nc3cnncc3[nH]2)c2c(Br)cccc2O1 587003464 KSWIHZHUFFJYLK-QMMMGPOBSA-N 359.183 2.751 0 1 FFAF CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC(F)(F)C1 587131609 PWJDHJKTVQIWOT-UHFFFAOYSA-N 365.336 2.512 0 1 FFAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N 587552306 PWAKUVMRHPZYLT-LRDDRELGSA-N 371.780 2.895 0 1 FFAF C[C@]1(c2cnc[nH]2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963197128 MRIZXESEJHRBEO-LKFCYVNXSA-N 359.735 2.944 0 1 FFAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)NCc1cccnc1 1772597809 PIVAZIMYJGDVBC-MRXNPFEDSA-N 374.485 2.918 0 1 FFAF CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 13755578 UZTKOBHZLUXWPU-UHFFFAOYSA-N 369.425 2.862 0 1 FFAF CCCN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 15779679 CKBMFOSCWRDVGH-UHFFFAOYSA-N 355.461 2.710 0 1 FFAF CC1=C(C(N)=O)C(c2ccccc2)C(C(N)=O)=C(C)N1Cc1ccccc1 1857594047 GSMXQPCCVIDHTD-UHFFFAOYSA-N 361.445 2.805 0 1 FFAF COc1ccc(C[C@H]2COc3c(OC)c(OC)cc(O)c3C2=O)cc1O 2356336845 OFVGXENPZWDWKV-NSHDSACASA-N 360.362 2.558 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356429643 COVZJTJPORVSID-YOEHRIQHSA-N 374.391 2.845 0 1 FFAF CC[C@@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 26028700 VFOAYTNJTDQUAC-VIFPVBQESA-N 350.767 2.784 0 1 FFAF CN(C)CCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194728 UNARJRXATYBLGH-LJQANCHMSA-N 365.437 2.774 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(CCOc2ccc(Cl)cc2)C1 61905692 PSHRSOPBLLGNHS-GOSISDBHSA-N 354.878 2.584 0 3 FFAF C[C@@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)O)c1ccccc1 26376097 DWRFNATXFQHHDE-VLIAUNLRSA-N 352.390 2.756 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@H](CO)[C@H]1Cc1nccc2c1[nH]c1ccccc12 2356467226 HNPBJGUAULGPHG-WQVCFCJDSA-N 366.417 2.959 0 1 FFAF CCO[C@H]1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)[C@@H]1O 13307068 AMERCRIYENEJRO-DOTOQJQBSA-N 354.399 2.525 0 1 FFAF biogenic O=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1 73297245 JRRJIZLWKUYWDA-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF C[C@@H]1C[C@H](O)[C@@H]2C[C@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]43C)[C@]2(O)C1=O 13431937 BAEMUVUHSXFRBX-PICJCYIESA-N 364.526 2.927 0 1 FFAF biogenic CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 74377358 JVMVTCORFZDLSX-RTBURBONSA-N 370.474 2.981 0 3 FFAF CC(C)(O)[C@H](O)Cc1c(O)ccc2c(=O)cc(-c3ccc(O)cc3)oc12 15115135 ANTDQLWDPMSOHB-GOSISDBHSA-N 356.374 2.546 0 1 FFAF biogenic COc1cc2nc(N3CCC(C)CC3)nc(NC[C@@H](C)O)c2cc1OC 82128848 WAMLIDWJKXKGJH-CYBMUJFWSA-N 360.458 2.676 0 1 FFAF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)nc2)c1 43128445 ILSSYGYBMIPSAV-UHFFFAOYSA-N 357.435 2.515 0 1 FFAF C[C@H]1c2cc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)ccc2C(=O)N1C 145935196 VLKCCKQSDNGREY-JNNKLVPLSA-N 369.471 2.907 0 1 FFAF CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OC(C)C)c1F 299835686 MLABUHBKNFHKIS-UHFFFAOYSA-N 369.433 2.966 0 1 FFAF CC1=C(c2ccc3nc(-c4cc(F)cc(F)c4O)[nH]c3c2)NNC(=O)C1 587133856 DSVGRKZRVLIBFF-UHFFFAOYSA-N 356.332 2.969 0 1 FFAF COC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755973 CEPLZZIOVAGXAO-QFYYESIMSA-N 368.250 2.746 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587853601 AIZHQRYEKSQORS-OWCSCZDJSA-N 374.275 2.854 0 1 FFAF O=C1COc2cc3[nH]c(-c4ccnc(OCC(F)(F)F)c4)nc3cc2N1 587090978 DBHKYVYNMKGACS-UHFFFAOYSA-N 364.283 2.897 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc12 587021446 LGIVVGVMAMVYGW-UHFFFAOYSA-N 351.391 2.948 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cccn2CCc2ccccn2)N1 962891435 BGAWLYMJMRQHDF-FXAWDEMLSA-N 365.408 2.953 0 1 FFAF C[C@@H](CF)N1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835344 APJOLOBANNPDKL-QFBILLFUSA-N 357.425 2.898 0 1 FFAF C[C@]1(c2nnnn2C2CCCC2)CCC(=O)N1c1ccc2c(c1)OCCO2 169303789 GWHZRCAUOGRBPH-LJQANCHMSA-N 369.425 2.602 0 3 FFAF O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CN(c2ccccc2)C(=O)C1=O 169344701 YIRNBSSLLGMSGA-GFCCVEGCSA-N 362.307 2.876 0 1 FFAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCCN 1857636294 LYSCNOINOIJKJF-UHFFFAOYSA-N 369.469 2.865 0 1 FFAF COc1cc(N2C(=O)CN(Cc3ccccc3)C2=S)ccc1N(C)C 1857641384 CAGIBPYVDJNXCT-UHFFFAOYSA-N 355.463 2.895 0 1 FFAF Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@@H](C)C2)cc1 2948574 MWJLRINFFZYKNN-QUCCMNQESA-N 371.525 2.724 0 3 FFAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206683 BVZMKUZMOXRNKX-HIFRSBDPSA-N 350.827 2.602 0 1 FFAF COC(=O)C(C(=O)OC)[C@H]1c2ccccc2C=C(C2CC2)N1C(=O)OC 8682193 XTHMLNOEULKFJN-MRXNPFEDSA-N 359.378 2.523 0 1 FFAF CCCn1nccc1NC(=O)Cn1cc(-c2ncnc3ccsc23)cn1 23581314 KWYREPKFADHUHT-UHFFFAOYSA-N 367.438 2.800 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(C)c1OC 27746948 BWWBOIRPTLLBMN-NSHDSACASA-N 371.275 2.686 0 1 FFAF CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)O[C@H]2C2=C(C)CC[C@@H](OC(C)=O)[C@@]21C 2356565643 GEJWFAFQALIJIQ-SORHCFQUSA-N 350.411 2.548 0 1 FFAF C[C@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1 64527289 WUMYVNAGGQHXJW-QMMMGPOBSA-N 374.655 2.611 0 1 FFAF C[C@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356715269 SULJQTGPGCOLMA-JPGRSVHFSA-N 350.499 2.537 0 1 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3N=C(S)N=C(N)[C@@H]32)cc1 64454224 RAZRZXQECDYJLN-VYDXJSESSA-N 355.419 2.524 0 1 FFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@@H]1CO 38794674 HRTOUPQLDWWXIX-KBPBESRZSA-N 367.401 2.651 0 1 FFAF investigational CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C(C)C)cc12 299860318 GLPSECISKLWDKC-UHFFFAOYSA-N 353.382 2.836 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2c(Cl)ccnc2[nH]1 587566360 IQCUXKIPEVJXSI-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587142348 WGRZERFOUZVPAR-UHFFFAOYSA-N 361.732 2.948 0 1 FFAF CO[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@]3(C(=O)O)CCC=C1[C@H]23 1772656172 HFXBGHVPQYOIDA-CUWPLCDZSA-N 352.434 2.856 0 1 FFAF CO[C@@H]1C[C@@]2(CC[C@]3(C)[C@@H]2CC[C@@]24C[C@@H](CC[C@H]23)[C@@](O)(CO)C4)C(=O)O1 169661189 JGJQQOVNDDCZBN-ADGKCSTMSA-N 364.482 2.632 0 1 FFAF NCCC[C@@H](Cc1cn([C@H]2CC[C@H](Oc3ccncc3)CC2)cn1)C(=O)O 169698783 WYBOFISFENYTDE-RYQLBKOJSA-N 372.469 2.823 0 1 FFAF COc1ccc(N2C=N[C@H]3c4c(ncc5c4NCC5)S[C@@H]3C2=O)cc1 207688912 SIUQQICXQVLRLA-HOTGVXAUSA-N 352.419 2.649 0 1 FFAF in-vitro O=c1cc(-c2ccccc2)ccn1C[C@@H](O)CN1CCc2ccccc2C1 209700585 VNPIYIUOLQVDOR-QFIPXVFZSA-N 360.457 2.935 0 1 FFAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2cnccn2)C(C)C)cc1 1857548748 PCZLUUBHZASIJH-UHFFFAOYSA-N 370.453 2.684 0 1 FFAF NCC[C@H](N)CC(=O)NC(CCc1ccccc1)CCc1ccccc1 1857579670 KYAHTLMNBXXXHO-FQEVSTJZSA-N 353.510 2.803 0 1 FFAF COc1ccc(/C=C/C(=O)NCc2nc(C)c(C)nc2C)c(OC)c1OC 1857759145 JCANFJIADFEJSL-CSKARUKUSA-N 371.437 2.757 0 1 FFAF C[C@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@H](C)O1 766836 NNRDRKZRECAZOH-KBPBESRZSA-N 350.422 2.935 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@@H]1CC[C@@H](C2)N1 101471610 ZYXCONLULJQDHW-LRDDRELGSA-N 353.447 2.755 0 1 FFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc[nH]n1 8568039 HFIFVZJSVOBZSV-ZDUSSCGKSA-N 366.462 2.883 0 1 FFAF CCOC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66077179 RLOWTQGNIFXCST-UHFFFAOYSA-N 360.863 2.987 0 1 FFAF O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1 95565199 HWVODVRUVXSUER-UHFFFAOYSA-N 357.776 2.789 0 1 FFAF CCOc1cccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 142182298 OUJDLADNJRGDKW-AWEZNQCLSA-N 355.438 2.945 0 1 FFAF Cc1nn(CCO)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587761711 CKPJBPYBQOONDL-ABKXIKBNSA-N 368.250 2.709 0 1 FFAF CCOC(=O)C[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436933 VLWAERDECAKYMC-JLTOFOAXSA-N 353.374 2.686 0 1 FFAF CCc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942449 LSYYHFQRYUWRFF-UHFFFAOYSA-N 364.858 2.695 0 1 FFAF COc1cc2c3c(c1)O[C@](Cc1ccccc1OC)(C(=O)O)[C@@H](C2)C3=O 587442053 JPQOXBZUYAEOTO-XOBRGWDASA-N 354.358 2.517 0 1 FFAF N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248568 UGEUIRLXTMCQFS-LLVKDONJSA-N 366.137 2.798 0 1 FFAF Cc1cc2c(cc1O)[C@@]1(CCOc3c(Cl)cccc31)N[C@H](C(=O)O)C2 963506948 GNIJQIHIDFGTQQ-KXBFYZLASA-N 359.809 2.979 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(C(=O)O)=COc2ccccc21 963602625 ADFDTXGPOQMOMW-LAJNKCICSA-N 367.401 2.843 0 1 FFAF CC(C)(C)c1cc(/C=C2\OC(NC(=N)N)=NC2=O)cc(C(C)(C)C)c1O 13734193 FDKQQLIDPCZUFH-LCYFTJDESA-N 358.442 2.724 0 1 FFAF CCCCCCOc1c(OC)cc(C[C@@H]2CNC(=N)NC2=N)cc1OC 13757744 RCAKBZPOARPETR-CQSZACIVSA-N 362.474 2.926 0 1 FFAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC)c1 169706947 NTRSQSQTKOKYIW-MRXNPFEDSA-N 354.454 2.987 0 1 FFAF COCn1cc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)cn3)cc1-2 1857607412 JTMJCOYOVJRRNF-UHFFFAOYSA-N 352.369 2.941 0 1 FFAF O=C(c1cnn(-c2nc(O)c3ccsc3n2)c1)N1CCC(C2CC2)CC1 1857620785 GIXXVUUIFQUQIU-UHFFFAOYSA-N 369.450 2.845 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](C=Cc1ccccc1)[C@@H]([C@@H](O)CO)OC2 1857623154 IVJQHPFJFSRCHY-WFXMLNOXSA-N 356.418 2.753 0 1 FFAF CCNC(=O)NS(=O)(=O)c1cnccc1Sc1cccc(C)c1 6184430 NEALBKZXCPINSB-UHFFFAOYSA-N 351.453 2.549 0 1 FFAF NS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn3ncccc23)cc1 28389246 LRTMJWODQTZHNN-UHFFFAOYSA-N 368.393 2.850 0 1 FFAF COc1ccc2c(c1)N=C(N1CCN(CCO)CC1)c1cscc1O2 29345697 JUUIDVCLSMTLSY-UHFFFAOYSA-N 359.451 2.551 0 1 FFAF c1ccc2c(c1)O[C@@H](N1CCCCC1)c1cnc(N3CCOCC3)nc1-2 29207369 JFOUEGHLJMYNPH-LJQANCHMSA-N 352.438 2.857 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@]2(O)C[N@]12 2356471526 YXDQYQYESXZUJA-HGLYYZSVSA-N 354.494 2.916 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 27763629 YERVYLQWQFZZOC-CUBQWHCGSA-N 351.446 2.569 0 1 FFAF CC[C@@]1(O)C[C@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C2)C1 2356665912 GKWYINOZGDHWRA-SOIKWTOOSA-N 356.466 2.834 0 1 FFAF CC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61931018 NZIDJLAAUOJMOS-UHFFFAOYSA-N 351.362 2.648 0 3 FFAF O=C(c1cnc2ccccn12)N1CCN(CCc2ccc(F)cc2F)CC1 73297294 BLXBKQZBZXOJSG-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF Cc1ccc(NC(=S)[C@@H]2C(=O)c3ccccc3N(C)S2(=O)=O)cc1 138495206 SQBRCNSWQOTIAJ-INIZCTEOSA-N 360.460 2.765 0 1 FFAF CCOC(=O)[C@H](C)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 507041374 XEJBGXVOUQIBDA-LLVKDONJSA-N 368.480 2.873 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CCC)C(C)=O)cc1 95895483 GVXOCTNGJVSBKO-QZOXXDRWSA-N 358.482 2.653 0 1 FFAF COc1ccc2c(c1)CN1C(=O)N(CCc3ccccc3)S(=O)(=O)C[C@H]21 96020188 QLRZZDSVVMQXEN-GOSISDBHSA-N 372.446 2.560 0 3 FFAF CS(=O)(=O)NC(=O)c1ccc(OCC2CCC3(CC2)CC3)cc1F 261083136 CBIJGNVEYYUGFD-UHFFFAOYSA-N 355.431 2.864 0 1 FFAF COc1ccc(-c2ccc(=N)[nH]c2C)cc1S(=O)(=O)NC1CCCC1 473115318 RPMDFGZGLUXGJD-UHFFFAOYSA-N 361.467 2.699 0 1 FFAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(CCC(=O)O)c1O 587946209 UMFVICQHSNHEBJ-GFCCVEGCSA-N 356.281 2.539 0 1 FFAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C=C(c2ccccc2F)NO1 587153876 AXTHDGKTDLXKPT-LJQANCHMSA-N 366.352 2.824 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)n4ccnc41)[C@@H](C2)C3=O 587436135 MCKXQVVCSXYCJQ-BTYIYWSLSA-N 358.353 2.585 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587490842 RZFXJRNJEKCWKQ-ZWCDLEFJSA-N 366.413 2.891 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(O)cc3[nH]2)cc1 587228476 MVUAUAMNPUFUSF-UHFFFAOYSA-N 354.366 2.767 0 1 FFAF CCOc1n[nH]c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1Br 586979303 APHHNIZBQMSACZ-UHFFFAOYSA-N 363.175 2.696 0 1 FFAF Cn1nnc2cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc21 962732167 XNQFNIUIPMVDAI-HOCLYGCPSA-N 360.339 2.703 0 1 FFAF COCOc1ccc2cc(CCc3c(O)nc(O)nc3C(=O)O)ccc2c1 1772571877 ICYOPEKOHQXHPY-UHFFFAOYSA-N 370.361 2.507 0 1 FFAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCC3)CC1 13471790 XPECPZHOOOLPDY-NHCUHLMSSA-N 368.452 2.931 0 1 FFAF COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)CN 13493211 YGYILWRGCWDMRJ-ARJAWSKDSA-N 356.378 2.500 0 1 FFAF COc1ccc2c(c1)c(C(=O)CC(=O)C(=O)O)cn2Cc1ccccc1 13675136 USPINJVQBSDNLG-UHFFFAOYSA-N 351.358 2.925 0 1 FFAF O=C1N(c2cccc(Br)c2)CCN1[C@H]1CN2CCC1CC2 13765768 VZMCDKPXCHQQLB-HNNXBMFYSA-N 350.260 2.785 0 1 FFAF COc1ccc([C@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1 205635285 XWMGIFBNLMODIN-SFHVURJKSA-N 355.419 2.935 0 1 FFAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)C(COC(C)=O)=C1 1857555175 FRTNTHULAHAURD-FTEYMNFISA-N 366.454 2.550 0 1 FFAF O=C(Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O)N1CCOCC1 1656563 RNIBLZYTCVSWHN-UHFFFAOYSA-N 367.327 2.925 0 1 FFAF COc1ccc2cc(CN3C(=O)C(=O)c4cc(C(N)=O)ccc43)ccc2c1 3590581 QHDRHZHPVMYYGX-UHFFFAOYSA-N 360.369 2.677 0 1 FFAF O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2c(c1)CNCC2 27982080 IZZCIHMKZOKFGQ-UHFFFAOYSA-N 350.871 2.507 0 1 FFAF O=C1CN2Cc3c(sc4c3C[C@@H](OCc3ccccc3)CC4)N=C2N1 27298980 HFLWMMOCPNUSAE-ZDUSSCGKSA-N 353.447 2.755 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](O)[C@H](O)[C@]2(C)O 2356565438 CEDNNIXKNUOVGD-WKSAYYPHSA-N 354.487 2.733 0 1 FFAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(CO)c4)OC[C@H]23)ccc1O 2356654885 OHOPKHNWLCMLSW-SLUIBLPYSA-N 358.390 2.674 0 1 FFAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 72107597 VMDHVIBLFFQUQQ-UHFFFAOYSA-N 352.799 2.637 0 1 FFAF CCOc1ccc2/c(=N/NS(=O)(=O)c3ccc(C)cc3)cc(C)[nH]c2c1 71341026 RPQYMPIWXXIOSK-UHFFFAOYSA-N 371.462 2.978 0 1 FFAF O=C1c2cc(C(=O)N3CCCCC3)ccc2-n2c1nc1ccccc1c2=O 95602513 WVDXTUGLBMWNFZ-UHFFFAOYSA-N 359.385 2.556 0 1 FFAF C[C@H]1CCc2cc(C(=O)N(C)C)ccc2N1C(=O)c1ccc(O)cc1O 653669361 LWPVJGVLNMPBPK-LBPRGKRZSA-N 354.406 2.781 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccccc1NC=O)O2 587388239 YXDXBSPELRRCOA-HXUWFJFHSA-N 368.389 2.871 0 1 FFAF COC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797845 XTPQKVVYBMUFHC-PSLIRLAXSA-N 360.223 2.527 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(F)(F)F)N1 587707256 VBEGIACVCRJDCD-BLTYZCFWSA-N 356.113 2.965 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587194381 QQHVSWHQCKSDRP-JTQLQIEISA-N 374.445 2.662 0 1 FFAF NC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)c2c(F)cccc2C[C@@H]2CCCN21 963107943 KMCXDBNYUIGVAA-ZSEKCTLFSA-N 365.408 2.762 0 1 FFAF COc1ccccc1N1CCN(c2c(CO)c(=O)oc3ccccc23)CC1 1772655468 CHKZXPFUWDSJAF-UHFFFAOYSA-N 366.417 2.621 0 1 FFAF CSCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccccc1 12161672 GDYSIWAMXIMUHQ-QGZVFWFLSA-N 360.523 2.727 0 1 FFAF CCCCN(C)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O 14882206 XPFYTYXMWUWHAR-NRFANRHFSA-N 372.465 2.503 0 1 FFAF NC(=O)c1c[nH]c2ccc(-c3cccnc3)cc2c1=NCC1CCOCC1 1857586535 AZILOBXGYLCCDL-UHFFFAOYSA-N 362.433 2.656 0 1 FFAF CCOc1ccc(CCN(CCO)[C@H]2CCCC[C@H]2O)cc1OCC 261304930 IJYNVBGHMBDWGD-ZWKOTPCHSA-N 351.487 2.624 0 1 FFAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(N)=O)=C2 1909395 JBCINNWQBPJWRZ-GOSISDBHSA-N 371.389 2.723 0 1 FFAF CC[C@@H](CN1NC(c2ccc(Cl)cc2)=CCC1=O)C(=O)CCC(=O)O 2172221 VTSQOBXOMJRRJN-LBPRGKRZSA-N 364.829 2.878 0 1 FFAF COC(=O)CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 2513614 GAOIMAAKFSPNRE-UHFFFAOYSA-N 360.772 2.836 0 1 FFAF CCCCc1ccc(-c2cc(OC)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29318643 XYQLEIVSAVWMJF-UHFFFAOYSA-N 352.398 2.865 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2cc3c(cc21)ncn3Cc1ccccc1 28094232 FOPGTHUTXLURMJ-UHFFFAOYSA-N 362.433 2.754 0 1 FFAF CNC(=O)[C@@H]1CCC[C@@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132499 FMHSEGKHJWNGGA-CABCVRRESA-N 350.426 2.526 0 1 FFAF CC1=CCC[C@H]2[C@](CO)(CCC(=CCO)CO)[C@H](C)C[C@@]2(C(=O)O)C1 2356538009 OGPOPMOZVDUDLJ-LQJIQPLVSA-N 352.471 2.514 0 1 FFAF CC=C1[C@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4C2)[C@@H]13 2356542581 XYYNHAYSLUSRAP-VNTYHLNVSA-N 354.450 2.818 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@H]3F)[nH]c2c1 2356597896 YDTXIOJZSQGXFJ-IUODEOHRSA-N 362.430 2.767 0 1 FFAF COCC=Cc1cc(O)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356629205 VHVQTNBRDOVOOA-KXBFYZLASA-N 358.390 2.976 0 1 FFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@H]2[C@@H]1C 2356641420 OSNBPYDQOYZESG-PADGQDIESA-N 366.546 2.865 0 1 FFAF CNC(=O)OCc1cn2c(c1COC(=O)NC)-c1ccccc1C[C@H]2C 28760580 SPPZHBHPUMLPQR-GFCCVEGCSA-N 357.410 2.984 0 1 FFAF NCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72179876 KXIZEBWDSJAVFQ-NSHDSACASA-N 367.293 2.854 0 1 FFAF CC(C)O[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272160 JOGNZBYMBUCNPQ-HNNXBMFYSA-N 352.822 2.843 0 1 FFAF COc1ccc(Oc2ccc3c(c2)CCc2nncc(=O)n2-3)cc1OC 40401514 GMOBKBDARRAGKU-UHFFFAOYSA-N 351.362 2.536 0 1 FFAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 199225303 FUTUSHJZGMJWKW-GOSISDBHSA-N 363.421 2.748 0 3 FFAF COc1ccc([C@@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)cc1 82152871 ORYZHSKYVITNSQ-IBGZPJMESA-N 354.362 2.706 0 1 FFAF CC(C)CCNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1 84709736 NDSHMXYMLHTZAV-SNVBAGLBSA-N 358.368 2.877 0 1 FFAF COC(=O)[C@]12C=C[C@@H](O)[C@H]3[C@](CO)(CCc4ccoc4)[C@@H](C)CC[C@@]31C2 238769665 YSNXXTPJDSFWCQ-LPFVZPDWSA-N 360.450 2.717 0 1 FFAF C[C@H](Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)cs1)C(=O)O 144316680 ZRQSXCHYQNMPCM-MRVPVSSYSA-N 350.371 2.654 0 1 FFAF CO[C@H]1CC[C@H](n2c(=O)c(Br)cc3c(C)nc(N)nc32)CC1 261186155 XMWHQYYATKFHEV-MGCOHNPYSA-N 367.247 2.575 0 1 FFAF NC(=O)c1cncc(OCc2cccc(NC(=O)Cc3ccccc3)c2)c1 653861152 OBHAFKNDNHNYQY-UHFFFAOYSA-N 361.401 2.941 0 1 FFAF NS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587081284 ZDAGNUDXOJONTM-UHFFFAOYSA-N 360.826 2.867 0 1 FFAF CS(=O)(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530825 HSBSDSMZXFIXTA-FQEVSTJZSA-N 371.458 2.866 0 1 FFAF Cc1cc(C)nc(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587654234 JOTKLSAUGYUQPH-UHFFFAOYSA-N 360.826 2.889 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCOCC3)nc1)CC2=O 587477998 YYQIJJBAKFPKET-SFHVURJKSA-N 369.421 2.678 0 1 FFAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cs1 587022507 YYUDOIHOWZQFQL-UHFFFAOYSA-N 359.436 2.637 0 1 FFAF CC[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587618286 TXMDSZLOKYRLGH-ZSOFBXJNSA-N 352.342 2.984 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1 586935695 JVCGTJYOKXLDRC-UHFFFAOYSA-N 374.253 2.947 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1cc(-c3ccccc3)n(C)n1)N[C@H](C(=O)O)C2 963472250 PLMLUXCILZADAW-JXFKEZNVSA-N 363.417 2.789 0 1 FFAF CSCC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccccc1 12161705 GDYSIWAMXIMUHQ-KRWDZBQOSA-N 360.523 2.727 0 1 FFAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCO 1857748806 CNTXGSSSWSHGBA-UHFFFAOYSA-N 356.426 2.509 0 1 FFAF COC(=O)[C@@H]1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 1645074 QRRHPMVRAFWLHO-SFHVURJKSA-N 369.417 2.957 0 1 FFAF CN[C@H](C(=O)N[C@H](COC(=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C 2356326372 WHLPINMHMWSWLW-LPHOPBHVSA-N 373.497 2.638 0 1 FFAF CCCCNC(=O)c1sc2nc(C)nc(N3CCN(C)CC3)c2c1C 2912104 XGWUQXSNPWUBRK-UHFFFAOYSA-N 361.515 2.590 0 1 FFAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@@H](C)N1 103282375 PPEAHANXFUBRRT-CHWSQXEVSA-N 355.438 2.611 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)Cc2ccccc2)cc1 100093620 XMKNGZQGHICQOW-UJXBOTEVSA-N 368.502 2.989 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)[C@@H]1C5 100948514 WWWFZTYANOYXAV-KEIZBESESA-N 373.456 2.759 0 1 FFAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2N(C)c3ccccc3C(=O)N21 15211794 TUAAYLWJEAHTQV-MJGOQNOKSA-N 361.401 2.856 0 1 FFAF biogenic Cc1cc(-n2cccn2)ccc1CN1CCN(C2CCCC2)[C@H](CCO)C1 36385605 KCTWTNRFYVJENE-JOCHJYFZSA-N 368.525 2.992 0 3 FFAF CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 195453192 ALIZQELSMNFNPZ-LUXYFRNMSA-N 365.788 2.719 0 1 FFAF Cc1c(-c2cccc(C(=O)N(C)C)c2)c(=O)oc2c(C=O)c(O)ccc12 221059426 RKKMQUQMJJZLKP-UHFFFAOYSA-N 351.358 2.988 0 1 FFAF N=C(N)NCCCC[C@@H]1NCCc2c1[nH]c1cc(Br)ccc21 96086173 ZBVLEAONAQYZND-ZDUSSCGKSA-N 364.291 2.771 0 1 FFAF biogenic CN(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587574790 YSUODAXVKMTNSP-QFBILLFUSA-N 363.373 2.951 0 1 FFAF CCOC(=O)c1cnn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc12 587394997 MYHRBLLLSZALGD-INIZCTEOSA-N 366.377 2.503 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802928 ONGVYYCXYNLKMY-UHLUBPPHSA-N 368.206 2.722 0 1 FFAF CC1(C)C[C@@]2(C=C(C(=O)O)O1)c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962570137 HVVOLGJKNMXRKJ-KSSFIOAISA-N 363.797 2.700 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1cnc(N3CCCCC3)s1)N[C@H](C(=O)O)C2 963526242 NZIAJHKEWPGZBP-GUYCJALGSA-N 373.478 2.836 0 1 FFAF CCOC(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)[nH]c1=O 143596651 IOBKOJXHAZRAMN-UHFFFAOYSA-N 356.209 2.908 0 1 FFAF NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1772588190 VUXQRANDPGSPRS-DTDVHRGSSA-N 362.521 2.990 0 1 FFAF COCCNc1nc(C)cc(-c2cc(C(=O)Nc3ccccc3)on2)n1 12727059 AFPKZRKBMAWZTO-UHFFFAOYSA-N 353.382 2.751 0 3 FFAF COc1cc(/C=C/C[C@@]23C[C@@H](C(=O)O)N[C@@H]2Nc2ccccc23)ccc1O 13360018 BJTCLTIDRHFSRO-GKTHTKQVSA-N 366.417 2.940 0 1 FFAF C[C@@H](O[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O)c1ccc2ccccc2c1 13582245 ZXUNQFXSGBYNQK-ZJUFNADFSA-N 373.380 2.511 0 1 FFAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccnc4)n3n2)cc1 169306687 HKJIIPQCKXSDPH-UHFFFAOYSA-N 350.403 2.862 0 1 FFAF O=C1CCc2cc(OCCN3CCOCC3)ccc2N1Cc1ccccc1 169308736 GZKKMCKHMWYIHE-UHFFFAOYSA-N 366.461 2.877 0 1 FFAF COc1ccc(CCN(C)CCCN2C(=O)COc3ccccc32)cc1 1857634790 DPSFBHZZMBXTMO-UHFFFAOYSA-N 354.450 2.985 0 1 FFAF C[C@@]1(C(=O)NC[C@H](O)c2ccccc2)CON=C1c1cccc(Cl)c1 772716 GUQIPQUQNMLHQN-QFBILLFUSA-N 358.825 2.930 0 1 FFAF CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCCCC3)cc2c1N 3028893 GIJOABQEMXWSHQ-UHFFFAOYSA-N 368.480 2.835 0 3 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)c2ccccc2F)CC[C@@]1(C)O 2356289229 RRIHQSNLTJIVGZ-QKNQBKEWSA-N 370.424 2.669 0 1 FFAF CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 101139466 SFWQJLUQLRSSCF-SRABZTEZSA-N 357.406 2.961 0 1 FFAF CC(C)C(=O)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O 14644544 CDEJOLJALIACLC-UHFFFAOYSA-N 372.329 2.844 0 1 FFAF biogenic COC(=O)C1=C(N2CCC[C@@H]2C)[C@H]2c3ccccc3S[C@@]12C(=O)OC 34819613 KUBUYDVTPCZEOX-GEDNVKPRSA-N 359.447 2.713 0 1 FFAF CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C 82070370 WDWGVOOYSJPTMD-HNNXBMFYSA-N 356.488 2.820 0 1 FFAF CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82140887 MMWORSIERIBSRP-CYBMUJFWSA-N 358.417 2.648 0 1 FFAF CN(C)Cc1ccc(CCOc2nc(-c3ccncc3)cc(=O)n2C)cc1 146503591 NDGDKGMWXSTRJP-UHFFFAOYSA-N 364.449 2.525 0 1 FFAF Cc1nnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)o1 146169092 GPDCFLSYOJXISU-VAHXTSCQSA-N 366.393 2.691 0 1 FFAF COc1cc2c(c(OC)c1OC)[C@@H](OC)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21 95564100 LPEKOSCSUJGQQB-PCFVDWANSA-N 361.438 2.874 0 1 FFAF C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(-c3cncnc3)ccc1O2 299837260 OGUAJEJFUMYZND-WDSOQIARSA-N 368.462 2.731 0 1 FFAF O=S(=O)(Nc1ccccc1-c1nc2ncc[nH]c-2n1)c1ccc(F)cc1 587169821 BBQFAVKKBSHREZ-UHFFFAOYSA-N 369.381 2.911 0 1 FFAF COC(=O)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 587007746 OPFLOWNOXOXEQU-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF COC(=O)c1cnc(Cl)cc1-n1ncc2ccc(Cl)cc2c1=O 587651404 IUGGQPPBMHRBRA-UHFFFAOYSA-N 350.161 2.874 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(N)=O)ccc2[nH]1 587039342 RCKWSTUPGJONJG-UHFFFAOYSA-N 360.399 2.527 0 1 FFAF O=S(=O)(Nc1ccccc1-c1nc2cnncc2[nH]1)c1ccc(F)cc1 587171044 XLOTUJWIHAHMQE-UHFFFAOYSA-N 369.381 2.960 0 1 FFAF Oc1ncnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587018250 UWERNHLMWVRAQQ-UHFFFAOYSA-N 361.390 2.896 0 1 FFAF COC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440010 NFAXXAATJOKCSX-QRWLVFNGSA-N 354.358 2.736 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(=O)NC3CC3)c1)O2 587390624 OPBWWAVTWADMBB-LJQANCHMSA-N 366.417 2.941 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586921907 HKUUFRGIERGYFP-UHFFFAOYSA-N 356.329 2.784 0 1 FFAF Nc1ccc(F)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587141164 MRZOFHVGBJWGRB-UHFFFAOYSA-N 364.384 2.934 0 1 FFAF O=c1[nH]c2ccccc2n1CCCNCc1cc2c(cc1Cl)OCO2 13864298 PXWAOPCHLIOXQZ-UHFFFAOYSA-N 359.813 2.892 0 1 FFAF COc1ccc(/C=C2/C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1O 14760330 RDQYZETVAPDYFY-UUINEXAVSA-N 354.358 2.929 0 1 FFAF COC[C@@H]1CCCN1C(=O)c1onc(-c2ccc(OC)cc2)c1[C@@H](C)O 2356294815 ROPIJFSVRSJNGT-OCCSQVGLSA-N 360.410 2.655 0 1 FFAF Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 3654736 CIVQOQSFTPTYJT-UHFFFAOYSA-N 350.374 2.720 0 3 FFAF COCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1 4400563 VOAGBTVGRQGVSV-UHFFFAOYSA-N 360.464 2.884 0 3 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 100986570 UOFDPOPBEANSNM-DOTOQJQBSA-N 374.396 2.951 0 1 FFAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]31)C2 102236715 CUFNSNQMTXWTPT-AFAVWLOWSA-N 364.482 2.759 0 1 FFAF O=C1CO[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 2356533373 BVULGJPUHQGXLW-KBXCAEBGSA-N 354.358 2.513 0 1 FFAF COC(=O)C1=C2[C@@H](CCC[C@]2(C)C(=O)OC)c2cc(C(=O)OC)ccc21 2356650506 IONOIRYNAZYUIR-RBZFPXEDSA-N 358.390 2.860 0 1 FFAF NC(=O)c1cc(N)cc2c(NCc3cccc(C(F)(F)F)c3)ncnc12 114347651 WCXKGMCKLVFHBH-UHFFFAOYSA-N 361.327 2.942 0 1 FFAF COC(=O)c1ccc2c(c1)[C@H](C(=O)OC)[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 2356764919 YNEPSWZBQIGSBT-AFMUBRCDSA-N 374.433 2.981 0 1 FFAF O=c1[nH]c(-c2cc(-c3cocn3)n(Cc3ccccc3F)n2)ncc1F 221342816 VNYMMKKOWYSIGT-UHFFFAOYSA-N 355.304 2.615 0 1 FFAF C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1 40424264 BCCUYXQTHHGUHR-FQEVSTJZSA-N 352.413 2.965 0 1 FFAF Oc1nc(O)c2ccc(-c3ccc(I)s3)nc2n1 587370151 UQUIWIITKXSEHZ-UHFFFAOYSA-N 371.159 2.769 0 1 FFAF COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963236946 SWULLTIAHZXQPZ-QUCCMNQESA-N 364.401 2.940 0 1 FFAF COc1cc([C@H]2Oc3ccc4[nH]cc5c4c3[C@H]2C(=O)NCC5)ccc1O 14696262 GEJUXZYANAYHRZ-RTBURBONSA-N 350.374 2.772 0 1 FFAF endogenous,in-man O=S(=O)(c1ccccc1)C1([C@H]2CC(c3ccccc3)=NO2)CC(O)C1 15974647 XKTNVGVXNUMLJC-ZCDLSOSASA-N 357.431 2.547 0 3 FFAF CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 28821277 MMHVHROUFYSFCY-UHFFFAOYSA-N 350.528 2.881 0 1 FFAF COc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1F)c(=O)n2C 100815688 XIXQRUYOXNDRRP-UHFFFAOYSA-N 356.353 2.668 0 1 FFAF Cc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 104100907 LAPINGKCFHLOFK-HNNXBMFYSA-N 371.396 2.931 0 1 FFAF N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1 26279314 GHYAMUIQUOQEJY-OWOJBTEDSA-N 361.405 2.510 0 1 FFAF C[C@H]1CC[C@@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 64586079 MVTNSOOORIFBMO-HPEDKQMDSA-N 354.244 2.508 0 1 FFAF N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@@H]1C[C@@]1(F)C(=O)O 29124029 HVYIQBGXHPRJMO-LSTHTHJFSA-N 371.364 2.909 0 1 FFAF CCc1ccccc1OS(=O)(=O)c1ccc(N2CCCNC2=O)cc1 72110927 UVKYMBFESMIRRS-UHFFFAOYSA-N 360.435 2.936 0 1 FFAF NC(=O)c1cnn2c1N(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)C2 82152069 GPJAUDCTMZIHIN-MRXNPFEDSA-N 365.368 2.915 0 1 FFAF CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 84495531 WEBCNVIMCWFUBF-HOTGVXAUSA-N 372.465 2.863 0 1 FFAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O 85589135 QIJNCQNMZUTUIF-MMNXLFCMSA-N 366.435 2.999 0 1 FFAF endogenous,world CN1C(=O)C[C@@](C)([C@@H]2C[C@H]2c2cccc(-c3cccc(CO)c3)c2)N=C1N 96932946 FFRPKTRUDKKYLB-JQVVWYNYSA-N 363.461 2.885 0 1 FFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCC1 149348124 PJPRYDGDPQCJSJ-MRXNPFEDSA-N 372.490 2.970 0 1 FFAF CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253639118 XXYXPBFLSNTPKS-FLEBEVHRSA-N 369.461 2.529 0 1 FFAF O=C(C[C@H](CO)c1ccc(OCc2ccccc2)cc1)N1CCOCC1 473153312 ADWLCZWHRYRYBG-LJQANCHMSA-N 355.434 2.590 0 1 FFAF CC(C)=CCC/C(C)=C/CNC(=O)CN1[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@H]([C@@H]2[C@@H]6[C@]41O)[C@H]53 299814804 FYWWGPDOGSIHKV-XBVHALSHSA-N 368.521 2.556 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587385198 MTCTYGNGFDVTQG-HXUWFJFHSA-N 371.364 2.709 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1O)[C@@H](C2)C3=O 587424422 YSQXLEOUWUSMFT-ISVAXAHUSA-N 354.284 2.642 0 1 FFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938658 YGJKISHAWYHUFR-MGNBDDOMSA-N 353.378 2.740 0 1 FFAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587589897 YNBIFBUUKNBEIA-QAPCUYQASA-N 350.330 2.894 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCN(C)CC2)N1 587764086 BZAMEBMFVJLCEB-PXAZEXFGSA-N 370.310 2.585 0 1 FFAF Fc1ccc(-c2cnn(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587165204 MQLONIBOGMBGAV-UHFFFAOYSA-N 360.356 2.590 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C1)CC2=O 587479901 DHGUFPCEWGQZAT-WTDUGLMZSA-N 359.422 2.521 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566523 QTVCNDWGCHZHIM-UHFFFAOYSA-N 359.451 2.573 0 1 FFAF Clc1c[nH]c2nc(-c3cncc(I)c3)nc-2n1 587185061 PFGYKRVZLOSFOA-UHFFFAOYSA-N 357.542 2.625 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=N)N)cc3[nH]2)CCC(O)CC1 587236968 IUPBFRSXCTUDDC-UHFFFAOYSA-N 373.457 2.502 0 1 FFAF CCOC(=O)Cc1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924027 FFBPTXNJIDMZBO-UHFFFAOYSA-N 350.440 2.526 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O 587444448 PWKTUPRIWFBEEZ-PGRDOPGGSA-N 364.445 2.768 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)(=O)CC2)N1 587844884 PDOJYTFKEUNYRY-VIFPVBQESA-N 362.264 2.526 0 1 FFAF COC(=O)CC(=O)N1CC[C@@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741088 USMVLJXQPRGGDK-OAHLLOKOSA-N 361.438 2.896 0 1 FFAF CN(C)CCN1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 169318090 OBPVGZCQIXQUBB-IFMALSPDSA-N 352.478 2.641 0 1 FFAF COc1c2cc(c(O)c1OC)CCCC[C@H](O)[C@@H](O)Cc1ccc(O)c-2c1 169516168 HIWDVUYHQYGBCH-ROUUACIJSA-N 374.433 2.773 0 1 FFAF CN(C)c1ccc(-c2cc3nccnc3c(OC[C@@H]3CCCNC3)n2)cn1 203752026 FDZBZSBLRVVIGJ-CQSZACIVSA-N 364.453 2.531 0 1 FFAF Fc1cccc(-c2cncc(N3CCN(CCN4CCCC4)CC3)n2)c1 61926879 UISPWJWVOPFBDU-UHFFFAOYSA-N 355.461 2.501 0 3 FFAF COc1cc([C@H]2OC[C@@H](Cc3ccc(OC)c(OC)c3)C2=O)ccc1O 2356539375 MPBLTTLWUVPJRH-JLTOFOAXSA-N 358.390 2.917 0 1 FFAF Cc1cc2oc(=O)cc(CN3CCN(C4=CC=C[CH]N4)CC3)c2cc1C 2356821019 LBOOOTKWTNXNTI-UHFFFAOYSA-N 350.442 2.690 0 1 FFAF COc1ccccc1S(=O)(=O)n1c2c(c3ccccc31)CCNCC2 40934086 PBVVAYNTOZMIGX-UHFFFAOYSA-N 356.447 2.575 0 1 FFAF Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccncc3)n2)n1 96167378 BQAHMAWWAOAETN-UHFFFAOYSA-N 372.392 2.757 0 1 FFAF C[C@@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 141391133 KGBFNMXVPFHTFK-LBPRGKRZSA-N 371.368 2.565 0 1 FFAF Nc1nc(O)c2nc(SCc3cccc(OC(F)(F)F)c3)[nH]c2n1 653915589 AUEAYSWDSDJXMS-UHFFFAOYSA-N 357.317 2.832 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(N)=O)c(O)nc1C)CC2=O 587470870 OXKLOXONBHWOFW-HXUWFJFHSA-N 370.405 2.733 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C 586933503 TWEMRCRASCJYHA-INIZCTEOSA-N 367.471 2.751 0 1 FFAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587430001 YMDZJAVHSFPBJK-DJJJIMSYSA-N 358.321 2.570 0 1 FFAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 587650823 USFRBYNIRKKTTH-DTDPFCBUSA-N 374.462 2.562 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587853603 AIZHQRYEKSQORS-UYNUJQBQSA-N 374.275 2.854 0 1 FFAF Cc1nn(C)c(N)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753249 AQJCOHPNCKMREJ-NXSYQRQQSA-N 353.239 2.836 0 1 FFAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386850 MCPVFVNCFOVSMX-KPZWWZAWSA-N 354.406 2.797 0 1 FFAF COc1ccc2c(c1)[C@]1(CCCc3nc(O)c(C(=O)O)cc31)N[C@H]1CC[C@@H]21 962992489 GWEOSVURZFUZCM-GTXQTCRKSA-N 366.417 2.923 0 1 FFAF Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(N=c2cc[nH]cc2)nc1 1857556851 KASMEJMLMAZCPN-UHFFFAOYSA-N 372.432 2.799 0 1 FFAF Cc1ccccc1-n1c(CSC2=NCCN2)nc2ccccc2c1=O 1848292 JABVHBHYODOITJ-UHFFFAOYSA-N 350.447 2.887 0 1 FFAF COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(N)=O)=C2 3964626 JBCINNWQBPJWRZ-SFHVURJKSA-N 371.389 2.723 0 1 FFAF O=C(O)CCc1ccccc1C[C@@H]1[C@H](c2nc(CO)co2)[C@@H]2CC[C@H]1O2 29213605 CVGQJRKPOPBTLN-ZMMAXQRCSA-N 357.406 2.688 0 1 FFAF CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccco3)C2)cc1 28470531 GCVRPLNLONKMEL-SFHVURJKSA-N 371.481 2.614 0 1 FFAF COCCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)CC1 61925943 HHZVZBMBZAVGET-GOSISDBHSA-N 368.477 2.774 0 3 FFAF COc1ccc(N2C(=O)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 66058782 HLADNFOZBQSLIV-CYBMUJFWSA-N 359.378 2.905 0 1 FFAF CN1CC(=O)N2[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O 61949415 PCHWYWFFXFVNDF-MOFCZTIZSA-N 362.429 2.593 0 3 FFAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O 73161811 SCACHXWSWJBIHG-ZFWWWQNUSA-N 369.473 2.986 0 1 FFAF NCC(=O)N[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73224688 ATTHXSDEYWOIFR-HXUWFJFHSA-N 361.445 2.855 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)C[C@@H]3O 13384142 XFQYJNINHLZMIU-GJZGRUSLSA-N 371.433 2.964 0 1 FFAF biogenic Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@H]1CC[C@@H](C2)N1 82154286 ICSWGEYUPVMDJL-SWLSCSKDSA-N 353.447 2.755 0 1 FFAF N[C@@H](CC(=O)NC1(c2ccccc2)CCOCC1)Cc1ccccc1F 40892899 GSHZCMRQOQJXOZ-GOSISDBHSA-N 356.441 2.908 0 1 FFAF CC(=O)Nc1ccc(/C(=C/c2ccc(S(C)(=O)=O)cc2)C(=O)O)cc1 45394575 LPCXGKFEWGKXLZ-BOPFTXTBSA-N 359.403 2.674 0 1 FFAF COc1ccc(S(=O)(=O)Nc2cccc(-c3csc(=O)[nH]3)c2)cc1 95602958 MYPSMHGTYORCEG-UHFFFAOYSA-N 362.432 2.913 0 1 FFAF CCCCO[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 238748826 GEZHQZVRFGIEGQ-IISZOMECSA-N 373.449 2.947 0 1 FFAF Cc1nc2cc(O)ccc2c(=O)n1-c1ccc(OC(C)(C)C(=O)O)cc1 653783704 KPDPYUIUFWQTBQ-UHFFFAOYSA-N 354.362 2.642 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2N)N1 587763307 JESWSXGHLFIQTI-VXJOIVPMSA-N 353.239 2.702 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586930686 FONWGDLCUXNEQE-UHFFFAOYSA-N 366.240 2.781 0 1 FFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccnc2[nH]1 586938569 WNNNXDZKQYKNCI-CQSZACIVSA-N 362.480 2.731 0 1 FFAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@H](C)C(=O)O 587517863 WKPWQMVTKBLARW-ASSNKEHSSA-N 369.417 2.879 0 1 FFAF CCOC(=O)[C@@H]1CCC[C@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962970252 FYTZDQZYTMYRPE-WUDNQAJYSA-N 373.783 2.776 0 1 FFAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)CC4)ccc23)cn1 1772587820 ZANUFYRNBVMFCV-UHFFFAOYSA-N 367.428 2.668 0 1 FFAF Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1 13864770 OVDROBGSEQOKQB-ICSRJNTNSA-N 370.474 2.706 0 1 FFAF CCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OCC)CCC3 203472625 NCUKOQODWFZVKP-FOIQADDNSA-N 362.470 2.533 0 3 FFAF C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1 6818755 GKQUNVHHSRCHOT-STQMWFEESA-N 350.484 2.607 0 3 FFAF O[C@@H](CNc1ccc(Br)cc1)Cn1nnnc1-c1ccccc1 6786278 ROQYYSKGAUFACS-HNNXBMFYSA-N 374.242 2.576 0 1 FFAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl 39008622 OVWMWUCBFBUTPR-UHFFFAOYSA-N 357.158 2.659 0 1 FFAF O=C1c2cc3ncn(CCc4ccccc4)c(=O)c3cc2O[C@H]2CCCN12 72141070 XXILVUHHNWDTFE-IBGZPJMESA-N 361.401 2.594 0 1 FFAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 14760212 NWFYESYCEQICQP-HZPDHXFCSA-N 372.417 2.992 0 1 FFAF biogenic O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2cccs2)n1 82085933 PFYNBJJARLYAGR-AWEZNQCLSA-N 358.419 2.711 0 1 FFAF CCNc1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c12 95560974 XJVVCHIFCFZYKV-UHFFFAOYSA-N 353.407 2.831 0 1 FFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cncnc2[nH]1 586984425 MOQKBMJVLDLHQR-LBPRGKRZSA-N 360.215 2.535 0 1 FFAF COc1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2cn1 587222528 KICWLYQVLSDJRV-UHFFFAOYSA-N 370.409 2.546 0 1 FFAF CN1Cc2c(c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c23)N2CCC[C@@H]2C1 113154544 FYOFYTSGJWEZNY-GFCCVEGCSA-N 371.412 2.588 0 1 FFAF Cc1ccc(C)c(-c2cn3c(C(=O)N[C@H]4CCOC4=O)csc3n2)c1 12438547 TXZOAZPTSCWQNU-ZDUSSCGKSA-N 355.419 2.725 0 1 FFAF C[C@@H]1C(=O)CCCCCCCCC[C@@H]2[C@@]1(N1CCOCC1)CS2(=O)=O 13143511 SHVUHSCYXGXOEY-BHIYHBOVSA-N 371.543 2.584 0 3 FFAF CC(C)(C)C(=O)NC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2)c1O 169691167 MIHKCTSWHSBRNT-RNODOKPDSA-N 354.406 2.887 0 1 FFAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCCO 1857629338 JLFMZOZISRCMFO-UHFFFAOYSA-N 370.453 2.899 0 1 FFAF Cc1cc2c(cc3c(=O)n(CC(=O)N(C)c4ccccc4)nc(C)n32)s1 1857632494 ZXKIMFGGIJSHKY-UHFFFAOYSA-N 366.446 2.991 0 1 FFAF COc1cc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c(OC)c1OC 1857638387 IGUMOIRRKNFJCZ-JTQLQIEISA-N 357.414 2.730 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(Cc3ccccc3)cnc21 27704230 BMGRMMKTFFEGTJ-UHFFFAOYSA-N 357.413 2.734 0 1 FFAF CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1)N1CCOCC1 26824049 IVWQSZCBZHWLGE-MRXNPFEDSA-N 359.359 2.998 0 1 FFAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1 69063228 BPIAZJYUGZZIFG-UHFFFAOYSA-N 373.438 2.920 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCCC1 12480815 OGUHNVUJYHJQRS-ROUUACIJSA-N 350.503 2.992 0 1 FFAF biogenic CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@@H]1CCO 61943241 GAOOXLBLYIYKGW-HFJWLAOPSA-N 374.506 2.598 0 3 FFAF COc1cc2c(cc1O)[C@]13C[C@@H](OC)[C@@H](OC(C)=O)C=C1CCN3CCC2 14440750 GRBIFEHYJNDLOS-HBMCJLEFSA-N 373.449 2.525 0 1 FFAF biogenic CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1cccc(F)c1 40394558 SUOPMGJAOXTVDE-ZDUSSCGKSA-N 364.377 2.614 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)nn3)CC2)c1 95569468 CKPLPEFGCNIDQT-UHFFFAOYSA-N 362.890 2.661 0 1 FFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 149347705 LBHXDXHWSHXOQC-OAHLLOKOSA-N 358.463 2.579 0 1 FFAF CC(C)NC(=O)C[S@](=O)C[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 253640029 TVJWNQXHBUULSP-QEEIZYTISA-N 370.946 2.649 0 1 FFAF Cc1cncc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024284 SPWHXNSXBPBZIS-UHFFFAOYSA-N 365.422 2.751 0 1 FFAF Cc1cncc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587183455 ZMLONLQRSXTEBM-SECBINFHSA-N 367.194 2.985 0 1 FFAF CCOC(=O)c1nn(C)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587392025 QGWXABPRKBGHSA-HXUWFJFHSA-N 369.421 2.684 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1 586929634 GHDNTYCFYSUUKY-UHFFFAOYSA-N 364.736 2.878 0 1 FFAF O=C1/C(=C/c2ccccc2)Oc2ccccc2N1CCN1CCOCC1 169324463 QRECIEZUUHOJRA-SILNSSARSA-N 350.418 2.785 0 1 FFAF Cc1ccc(-c2noc(C3(N)CC3)n2)cc1NC(=O)c1cnc2ccccn12 206106212 WLBKDTIWZLBQKG-UHFFFAOYSA-N 374.404 2.893 0 1 FFAF COC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166989445 TZCLHPNTRILBTH-CQSZACIVSA-N 353.422 2.999 0 1 FFAF Cc1nc2c([nH]1)CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 204682898 DIMUJWRLHCEJIF-HYSWKAIVSA-N 350.438 2.886 0 1 FFAF CCS(=O)(=O)Nc1cc(-c2cc(C)ccc2OC)cn2c(C)nnc12 1857559549 QSJFUOGNMQGSOF-UHFFFAOYSA-N 360.439 2.783 0 1 FFAF Nc1ncc(-c2ccncc2)cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 1857588483 XQYXSXUBTKCPPZ-UHFFFAOYSA-N 374.404 2.722 0 1 FFAF COc1cc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)cc(OC)c1OC 1857653083 NSPIXQVVJURJIM-UHFFFAOYSA-N 371.368 2.850 0 1 FFAF CCc1c(C)[nH]c2cc([C@H]3CCN(CCc4ccccc4)C3)nn2c1=O 19521670 AQHOTFNQEPUUFA-KRWDZBQOSA-N 350.466 2.925 0 1 FFAF COc1ccccc1C(=O)NC[C@@H]1COCc2nc3cc(C)ccc3n21 2356300507 XBBYDBDZVAMSEF-CQSZACIVSA-N 351.406 2.855 0 1 FFAF CC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4952782 ZLZMHNGIPXOUOI-WVMBZCLNSA-N 355.434 2.921 0 1 FFAF CCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NC(C)C 103211240 QMUFOXAHWIEIPM-UHFFFAOYSA-N 362.455 2.640 0 1 FFAF Cn1cnc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21 28950563 JAFFJWQQYUBCMN-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF O=C(O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12 27523971 KXJXYCGVDHCLRF-UHFFFAOYSA-N 351.387 2.682 0 1 FFAF COc1c(OCC=C(C)C[C@@H]2C[C@@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 2356721158 WIKPBGTZLCOVAL-JLTOFOAXSA-N 374.389 2.583 0 1 FFAF COc1cc(C[C@@H]2C[C@@H](CO)[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 2356734441 OMBIBIJONAKBNB-MDOVXXIYSA-N 360.406 2.796 0 1 FFAF C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1N(C)c1ncnc2[nH]ccc12 34043872 MTRMACOHLXKTOY-ZYHUDNBSSA-N 355.364 2.584 0 1 FFAF CSc1n/c(=N\C(=O)Nc2ccccc2)n2nc(-c3ccco3)[nH]c2n1 49070895 AIUWWXNDBNYFMD-UHFFFAOYSA-N 367.394 2.567 0 1 FFAF CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O 40392812 QUPQPFMDZTULIE-KEQVLUGWSA-N 364.331 2.527 0 1 FFAF COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1 221619130 SCQCBCDZDFBKIQ-UHFFFAOYSA-N 373.416 2.729 0 1 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894015 XGOBDDATJGVWJO-QKNQBKEWSA-N 354.425 2.911 0 1 FFAF COCCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 147918987 MJWDUSOAIOMXMO-UHFFFAOYSA-N 367.453 2.515 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587260298 QOFZDBMCEUHSDL-JTQLQIEISA-N 350.209 2.606 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccco1 587614295 BVTYTGNBSFXPGM-DNVCBOLYSA-N 352.298 2.927 0 1 FFAF Cc1cccc([C@@]2(CCC(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c1 962926372 BTEMLNFEOLINMD-JOCHJYFZSA-N 366.461 2.951 0 1 FFAF COc1cccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 114876940 GTVRJNNFXVMASB-IRXDYDNUSA-N 373.430 2.702 0 1 FFAF C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 12917249 LMFDKCSDDVFKPH-IIAWOOMASA-N 374.510 2.795 0 1 FFAF OC[C@H](NCCc1c[nH]c2ccccc12)c1ccc(O)c2nc(O)ccc12 1857765456 XPZXKMOIGCHJCN-SFHVURJKSA-N 363.417 2.993 0 1 FFAF Nc1nc2c(ncn2-c2ccc(OCCCc3ccccc3)cc2)c(=O)[nH]1 1745822 NIOCQGRCTSEXHF-UHFFFAOYSA-N 361.405 2.703 0 1 FFAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1N 58584079 QNEGTMFKWLIUKD-UHFFFAOYSA-N 356.382 2.551 0 1 FFAF O=S(=O)(Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1)c1ccccc1 103272256 OISWPUOQBBLOJT-INIZCTEOSA-N 371.462 2.615 0 1 FFAF COc1ccc2c(c1)OC[C@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 103200166 UQCNCMBVLQJSQL-QVKFZJNVSA-N 351.402 2.899 0 1 FFAF CC[C@@H](O)COc1cc(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12 2356308633 KRKUEWHVDHGJJR-LLVKDONJSA-N 358.346 2.727 0 1 FFAF CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 27208486 WPVGADVMVUQURM-HNNXBMFYSA-N 373.453 2.684 0 1 FFAF CCN(Cc1ccccc1)C[C@@H](O)COc1cc(F)c2[nH]c(=O)ccc2c1 27182777 HIEDBRBKDLSOKS-QGZVFWFLSA-N 370.424 2.929 0 1 FFAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 61895341 WAOXVWMZJKPXEE-CYBMUJFWSA-N 373.365 2.949 0 3 FFAF O[C@H](COc1ccc([C@@H]2CCCNC2)cc1)CN1CCc2ccccc2C1 219751195 HUPUCRUHTCXPRQ-IRLDBZIGSA-N 366.505 2.952 0 1 FFAF COC(=O)[C@]1(Cc2ccccc2)[C@H](C)C(=O)N1Cc1ccc(OC)cc1 72120083 VGIBPUSULHUSGX-VFNWGFHPSA-N 353.418 2.828 0 1 FFAF CC(=O)NCc1cccc(OC[C@@H](O)CN[C@H]2CCCc3ccccc32)c1 78938085 GKJFXXMZVOZBNL-UGKGYDQZSA-N 368.477 2.730 0 1 FFAF in-vitro CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 82224271 CTZIIJXEMAQFOC-OAHLLOKOSA-N 360.433 2.792 0 1 FFAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(/C=C/C(=O)O)c1O2 84668921 HQXPGZGTMJWYGJ-XQWMEFRHSA-N 360.406 2.973 0 1 FFAF COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@@]45CC[C@@]12[C@@H](C5)C(=O)O3 238771818 GLOIILVAVSJIEX-ZEWNOJEFSA-N 366.417 2.578 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1[C@H]2CC(=O)C[C@H](C)[C@@]2(C)C[C@H]([C@]2(C)CO2)[C@H]1O 238755306 LCLMCAWCQHUBIL-QONOARKNSA-N 350.455 2.656 0 1 FFAF COc1ccc(-c2oc3c(O)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1 32290206 DPSDGYYKOBXAJS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1cc(OC)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 587223348 CRBYDTDYMGCEAQ-GFCCVEGCSA-N 355.394 2.664 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccn2C)N1 587755039 NYVLICSEDVRJKL-XXFAHNHDSA-N 367.218 2.789 0 1 FFAF O=C1C[C@]2(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 587526084 PORGPYXYGZFHOE-PYYSJVIDSA-N 355.434 2.742 0 1 FFAF COC(C)(Cc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F)OC 587367957 CZQRLXHPLQBWKA-UHFFFAOYSA-N 359.357 2.794 0 1 FFAF CCOc1n[nH]c(-c2nc3cccc(C(=O)OC)c3[nH]2)c1Br 586979738 JYAWCHILSDPKSQ-UHFFFAOYSA-N 365.187 2.901 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 587793701 KJYGRBYLVBHSQP-MLXNANBUSA-N 368.206 2.807 0 1 FFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CC[C@@H]4N)[nH]c3c2)cc1 587246114 CURUTKKMYNBGRQ-GJZGRUSLSA-N 372.450 2.577 0 1 FFAF C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nnn2cnc3[nH]ccc3c12 1772596107 IVFATVRABARRFI-DGCLKSJQSA-N 356.430 2.966 0 1 FFAF c1cc(CCNC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)ccn1 1772586590 ZBPFKGHHBHOIBB-UHFFFAOYSA-N 361.453 2.859 0 1 FFAF COc1ccc(OC)c(CCNC(=O)Cn2cc3c(n2)CCCCC3)c1 5148837 DUQDFAVAVRRDSR-UHFFFAOYSA-N 357.454 2.528 0 1 FFAF O[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 13123725 PMLQNCYFCMZPGS-RYUDHWBXSA-N 367.249 2.824 0 1 FFAF O=C(OCc1ccsc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 13492629 YLRURIRIQRAQJJ-UHFFFAOYSA-N 360.782 2.588 0 1 FFAF CC[C@@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764945 MERMEGNDOLFMAM-LBPRGKRZSA-N 358.442 2.853 0 1 FFAF CS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(F)cc2F)cc1 13803953 DBARNAJNBUVQQY-UHFFFAOYSA-N 351.330 2.779 0 1 FFAF O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1C[C@H](C(=O)O)CC2 169339715 DWJDJEWATJGLSP-MRVPVSSYSA-N 354.284 2.779 0 1 FFAF CC(=O)Nc1ccc(-c2cnn3ccc(=NCc4ccncc4)[nH]c23)cc1 1857595716 IYWIFIVNYSVHLX-UHFFFAOYSA-N 358.405 2.784 0 1 FFAF CC(C)CCNC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@]1(C)O3 6921213 XUFADPDSIPSIQE-GPHNJDIKSA-N 368.477 2.521 0 1 FFAF COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)cc1O 58592821 WAQWPOSTXNXXIP-UHFFFAOYSA-N 371.393 2.733 0 1 FFAF O=C(O)[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)NCCCO 26509031 QAZJFVWJXZJTMB-VQTJNVASSA-N 369.461 2.678 0 1 FFAF C[C@@H]1C[C@H](O)C2=C(C[C@H]3C[C@@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O 2356600450 MFHOMRGXWAMDNN-YEDCVWRBSA-N 358.390 2.677 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)co1 82070832 YDZVFNUERCWMJD-AWEZNQCLSA-N 373.453 2.652 0 1 FFAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCOCC2)c1 82145411 QJIVBGBTFNJJPQ-UHFFFAOYSA-N 366.465 2.915 0 1 FFAF COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/CCC[C@@H](C)O 84758135 GZTYUXALZXWTJY-WJYTYBCCSA-N 352.471 2.949 0 1 FFAF in-man NC(=O)C1CCN([C@H](C(=O)O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 95382598 GFSFTSVNTLCDIR-LBPRGKRZSA-N 364.751 2.682 0 1 FFAF CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1OCC 141652645 CEMDJRXKJDUJQM-LTDCPUDJSA-N 355.434 2.834 0 1 FFAF O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@H]2CCCC[C@@H]12 618014220 OGVOASAFRGUXJR-MNOVXSKESA-N 356.451 2.754 0 1 FFAF COc1ccc2cc(C(=O)N[C@@H](CO)Cc3ccccc3)oc2c1OC 621429396 XBZQGWMHFNJSSE-OAHLLOKOSA-N 355.390 2.783 0 1 FFAF CCCn1c(=O)n(CCC)c2cc(C(=O)c3c(C)nn(C)c3O)ccc21 299864569 MMLKVJNYFIKYOO-UHFFFAOYSA-N 356.426 2.602 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587453987 QPOICWOBFQLTCN-RBZFPXEDSA-N 350.326 2.699 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Nn3cccc32)N1 587770102 IGXGPBWFONACIW-ABKXIKBNSA-N 364.218 2.641 0 1 FFAF O=C(O)C/C=C1\Nc2sc3c(c2C(=O)N1C[C@H]1CCCO1)CCCC3 958059152 RLERDTLWHOFJPM-LLUUXILJSA-N 362.451 2.990 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@](C)(c3ccc(-n4ccnn4)cc3)c3cccc1c32 963026092 NFZNAKPLMKPAHU-QKKBWIMNSA-N 359.433 2.584 0 1 FFAF COc1ccc(CC[C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1O 962900449 ILKSHQREDNZLMA-JXFKEZNVSA-N 359.397 2.987 0 1 FFAF CN1Cc2c(c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c23)N2CCC[C@H]2C1 113154541 FYOFYTSGJWEZNY-LBPRGKRZSA-N 371.412 2.588 0 1 FFAF c1cc2c(ncn3nnc([C@H]4CC[C@H](CNC[C@@H]5CCCO5)CC4)c23)[nH]1 1772624531 WBJZUMGTAJJENP-KKUMJFAQSA-N 354.458 2.648 0 1 FFAF NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672410 DUHSDOJNFHLISS-UHFFFAOYSA-N 370.800 2.868 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 13878690 NXUXUPDIDFKURE-IMFGXOCKSA-N 371.458 2.892 0 1 FFAF CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 14970694 RHVHGEHIJUENCE-UHFFFAOYSA-N 363.421 2.983 0 1 FFAF CC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21 725130 SVXGCWXJFFXUDN-UHFFFAOYSA-N 357.417 2.835 0 3 FFAF CCC(=O)[C@@H](C)Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC 29336379 SCZOBUCEGRITKJ-GFCCVEGCSA-N 369.893 2.740 0 1 FFAF CCCC[C@@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 20140377 ONZAZWBNSWQYHW-HNNXBMFYSA-N 360.462 2.536 0 3 FFAF CCN(CC)S(=O)(=O)c1c2ccoc2c(OC)c2oc(=O)ccc12 64548690 CDZSRGBFCDLCCI-UHFFFAOYSA-N 351.380 2.578 0 1 FFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2CC(C(=O)OC)=C[C@@]2(C)[C@@H]1C(=O)OC 2356555036 GTQAUWWSOKGAGH-BKEDOTJMSA-N 350.411 2.573 0 1 FFAF C[C@@H]1C[C@]2(C)CC(C(=O)O)=CCC[C@H]2[C@]1(CO)CCC(=CCO)CO 2356593403 JCWINCIZDNXUMA-JRJVTICQSA-N 352.471 2.514 0 1 FFAF COc1ccc([C@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 473129153 GIRLQTWFPQINCE-ZDUSSCGKSA-N 364.423 2.517 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587041849 GUIGGUNQCSUMET-CYBMUJFWSA-N 367.496 2.587 0 1 FFAF CCn1nc(C(F)(F)F)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587652250 ZKIJPGILVXMSCY-UHFFFAOYSA-N 370.718 2.974 0 1 FFAF COCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791414 IGDVGJLQUQFBCX-QFYYESIMSA-N 374.250 2.917 0 1 FFAF Nc1ncnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985137 RGFCILMFXVSJKT-CYBMUJFWSA-N 373.258 2.883 0 1 FFAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1c[nH][nH]c1=N)[C@@H](C2)C3=O 587450879 LNASZCVPQQZGOF-VOJFVSQTSA-N 353.403 2.584 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1c(Br)c(C)nn1C)[C@@H](C2)C3=O 587414727 WWLZTPNJOASHDR-MGPLVRAMSA-N 363.211 2.988 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412978 KXPHWFRHNZLCOI-GOSISDBHSA-N 359.403 2.632 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)nc2O)N1 587775252 QFVGIWSBJQIHLF-KWKYVRJSSA-N 368.206 2.587 0 1 FFAF CC1=C[C@]2(C(OCC(=O)O)=CN1C)c1ccc(F)cc1C[C@@H]1CCCN12 963098478 HAKSASRVJCBWPT-OXJNMPFZSA-N 358.413 2.833 0 1 FFAF CC(=O)Oc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963235734 RUAJBJLVFGHIFD-UXHICEINSA-N 362.385 2.848 0 1 FFAF Cc1ccc(Cl)c(C(=O)NC[C@H](c2ccncc2)N2CCOCC2)c1 207701778 WYPJOIBKVPORAF-GOSISDBHSA-N 359.857 2.847 0 1 FFAF CC(C)NC[C@H](O)COc1cccc2[nH]cc(I)c12 5760486 LOMQONAZKMLAOB-JTQLQIEISA-N 374.222 2.510 0 1 FFAF CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130150 WJYXYOBJQQILEE-UHFFFAOYSA-N 355.442 2.696 0 1 FFAF CC(C)[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccccc1CO3 13657617 YSQUFOQOAYMFAX-QGZVFWFLSA-N 351.406 2.665 0 3 FFAF Cc1nnc2ccc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)cc2c1C 1857548877 OQPCEDSUFAJDBA-UHFFFAOYSA-N 367.840 2.914 0 1 FFAF NCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12 13489169 WNRBCSQWNKELAM-UHFFFAOYSA-N 363.465 2.894 0 1 FFAF CSc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4564641 FFYWQMPHBRVHHS-LZDSYCOUSA-N 356.447 2.544 0 1 FFAF CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 6916361 QMGKIYQYAIKDHW-UHFFFAOYSA-N 370.428 2.812 0 1 FFAF CCN1C(=O)COc2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc21 103249217 XUJWIEVOJXTNNM-UHFFFAOYSA-N 369.440 2.893 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)N/C(=C\c3ccccc3)C2=O)cn1 115730858 DJPPRYDDGMSXON-IUXPMGMMSA-N 363.377 2.634 0 1 FFAF CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)o2)cc1 64446871 CSZQGWPXBAKMGK-UHFFFAOYSA-N 350.513 2.723 0 1 FFAF Cn1c(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccncc2F)cc1=O 113089297 GZPYEVDUOAWTPW-GOSISDBHSA-N 366.396 2.559 0 1 FFAF C[C@@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)O)c1ccccc1 26378350 DWRFNATXFQHHDE-JLTOFOAXSA-N 352.390 2.756 0 1 FFAF CNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1 61923227 WYNLUBKVDRBTEF-VQTJNVASSA-N 350.462 2.683 0 3 FFAF COC(=O)[C@@H]1[C@@H]2C[C@H](C(=O)O)CC[C@@H]2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12 2356537858 JCCOBJRKWABIAX-PDPJSYBWSA-N 366.454 2.892 0 1 FFAF Cc1ccc(C)c(-c2nn(C)cc2NC(=O)c2cnn3ccc(N)nc23)c1 68206356 LKNYWEOBQHMSCE-UHFFFAOYSA-N 361.409 2.581 0 1 FFAF C[C@@H](c1ncncc1Cl)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 26160415 HREKAMFFOJKWEL-MGPLVRAMSA-N 365.771 2.691 0 1 FFAF C/C=C1\CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 33846147 RCEFXZXHYFOPIE-ALIRTINDSA-N 352.434 2.567 0 1 FFAF CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12 72178789 JFSQXIGNGMVQLG-UHFFFAOYSA-N 350.390 2.805 0 1 FFAF Cc1cc(O)c(C)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2 14514487 INMABPVEUVMMPG-UHFFFAOYSA-N 360.318 2.538 0 1 FFAF biogenic O=C(CCc1cnn(-c2ccc(O)cc2)c1)Nc1ccccc1C(=O)O 49048762 FBXVAXQTVWDBLY-UHFFFAOYSA-N 351.362 2.847 0 1 FFAF CC1(F)CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1 146353684 DLDJBCNHQZZMLO-UHFFFAOYSA-N 355.360 2.510 0 1 FFAF COc1ccccc1C(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377881170 ZKQQQJIFGNYODE-UHFFFAOYSA-O 355.761 2.623 0 1 FFAF COc1cc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)cc(OC)c1OC 653712897 ZHVCUOGNNHSWST-UHFFFAOYSA-N 363.373 2.963 0 1 FFAF COC(=O)c1ccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2n1 587157161 WUSIEEHUEXKING-UHFFFAOYSA-N 367.340 2.745 0 1 FFAF CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444532 UIODSALPEZLAKK-IIBYNOLFSA-N 368.385 2.910 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)s1)[C@@H](C2)C3=O 587449011 OEWLLZNSOLSTRW-MGPLVRAMSA-N 350.417 2.649 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 586962662 ULBWSMIRMDGFDK-QMMMGPOBSA-N 359.411 2.655 0 1 FFAF COc1ccc2c(c1)C[C@H](CN1CCN(c3ccccn3)CC1)CC2=O 13589197 QBAMJMVYHOCCMG-INIZCTEOSA-N 351.450 2.658 0 1 FFAF CN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccn1 169718817 PMDAMLBOJSLKAV-UHFFFAOYSA-N 371.462 2.653 0 1 FFAF COc1cccc(-c2cc(CN3C(=O)c4ccccc4S3(=O)=O)on2)c1 1857573777 VBKZWPKRNSRHJY-UHFFFAOYSA-N 370.386 2.695 0 1 FFAF CCOC(=O)CCc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 3955110 JCRSCJRYTRCSHB-UONOGXRCSA-N 372.469 2.829 0 1 FFAF O=C(CN1C(=O)c2cccnc2Oc2ccccc21)NCc1cccnc1 6751309 CRDXMDIVTSWBQC-UHFFFAOYSA-N 360.373 2.546 0 1 FFAF CN1CCC(N2CCC[C@H](NC(=O)c3ccc4cccc(F)c4n3)C2)CC1 23338437 AABFTTYIPAYHEL-INIZCTEOSA-N 370.472 2.662 0 1 FFAF CN[C@H](C)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27982904 VWRRCGJYHLOAKH-NEPJUHHUSA-N 373.428 2.608 0 1 FFAF Cc1cc(O)c2c(c1Cl)[C@]1(OC2=O)Oc2cccc(C(=O)O)c2C1=O 2356868447 XBSPICXSAXOFOV-QGZVFWFLSA-N 360.705 2.651 0 1 FFAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@@H]1O 27323672 KEMICGMUYDFMDW-YESZJQIVSA-N 360.458 2.597 0 1 FFAF C[C@@]12C(=O)N(CCc3ccccc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2107002 VPBNBWIJFKSUJQ-HSZRJFAPSA-N 373.456 2.853 0 1 FFAF biogenic O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1cccc[n+]1[O-] 66128548 BVKZNDYFUCWGEK-FQEVSTJZSA-N 366.804 2.823 0 1 FFAF COC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71281195 POIOEIBYUSYSJP-UHFFFAOYSA-N 374.828 2.876 0 1 FFAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(S(N)(=O)=O)c4)c23)C1 210713719 ZGKSOMYBGWFPQQ-LBPRGKRZSA-N 371.466 2.509 0 1 FFAF CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@@H](C)Cc2cccs2)C1 71638958 YMDOSNBIWOAVEO-LBPRGKRZSA-N 359.499 2.552 0 1 FFAF O=C(Nc1cc(C2CC2)no1)c1ccc2cc3n(c2c1)CCCNC3=O 73219401 UJAUSTYSRUCHNY-UHFFFAOYSA-N 350.378 2.893 0 1 FFAF COc1ccc2c(CS(=O)(=O)c3ccccc3)cc(=O)oc2c1OC 84670139 VVKPABTURCUYEL-UHFFFAOYSA-N 360.387 2.784 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O 587439282 USIQHQRILPDZFP-KSFYIVLOSA-N 374.396 2.813 0 1 FFAF N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587025470 MSEPEYXGJXFUGI-NSHDSACASA-N 361.370 2.966 0 1 FFAF COC(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1OC 587251218 CGJOUCRMXGMFDO-UHFFFAOYSA-N 353.378 2.756 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587115570 QCTOPOZRHSNEHV-UHFFFAOYSA-N 372.372 2.838 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N=c1nc(C)o[nH]1 587863147 RZYMITDJKWGDEZ-UHFFFAOYSA-N 367.287 2.771 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(C(O)O)CC2=O 587485065 YLQADNBCWGRUBH-HXUWFJFHSA-N 358.390 2.525 0 1 FFAF CC(=O)N/C(=C\c1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652484 SKXMBJXFXKFJJV-MFOYZWKCSA-N 367.792 2.867 0 1 FFAF Cc1nc(O)ccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970264 RHTWIUCHDJMECF-SJKOYZFVSA-N 368.767 2.890 0 1 FFAF O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 14947784 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COc1cc(O)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@@H]1C2=O 14610801 BCRQIJDETOPQBA-SJORKVTESA-N 358.346 2.538 0 1 FFAF biogenic Nc1ncc(-c2ccc(C(=O)N3CCC3)cc2)nc1C(=O)Nc1ccccc1 71317285 NSAWKYAGRPQPTF-UHFFFAOYSA-N 373.416 2.824 0 1 FFAF CCc1cccc(C)c1NS(=O)(=O)c1cnccc1C(=O)N1CCCC1 1911584998 YSBOGUDMGHWHLY-UHFFFAOYSA-N 373.478 2.989 0 1 FFAF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1cccc(Cl)c1 84670015 QIFYMWVNUDQGPS-UHFFFAOYSA-N 360.845 2.869 0 1 FFAF CCOP(=O)(OCC)[C@@H](O)c1cc2ccc(C)cc2n2nnnc12 49112162 OSLNVKVNARKYTN-OAHLLOKOSA-N 350.315 2.843 0 1 FFAF C[C@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@@H](C)C1 195520052 IPXVKACPVICYDY-SMSYFYOWSA-N 372.469 2.663 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 95895501 WZZBQVBPQMPBSP-VAWRJQMXSA-N 370.493 2.653 0 1 FFAF O=C(C1CCCC1)N1C[C@@]2(CCN(C3COC3)C2)OCc2ccccc21 299849850 FPIZTFSLVMDEHP-NRFANRHFSA-N 356.466 2.583 0 1 FFAF Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1C 586942893 SKHGGKWKCKCMAG-UHFFFAOYSA-N 364.858 2.749 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1NCC3 587366763 QFSQMSXLBFFGRO-UHFFFAOYSA-N 359.183 2.834 0 1 FFAF CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCCO4)CC(F)(F)C1 587131462 JFPBGTWOSHOPLF-UHFFFAOYSA-N 352.337 2.953 0 1 FFAF O=C1CCc2cc3nc(CCNC(=O)OCc4ccccc4)[nH]c3cc2N1 587228335 OHNJUDMOECKDND-UHFFFAOYSA-N 364.405 2.917 0 1 FFAF CN(C)C(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587041744 GAAMUUFLJBVNLQ-AWEZNQCLSA-N 360.483 2.885 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807687 XSJUFTQDWFIYQT-WPPNPWJKSA-N 368.206 2.722 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 586950157 BMTXVYWMZRDNKK-UHFFFAOYSA-N 357.439 2.664 0 1 FFAF CC(=O)Nc1cccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587242926 ZIZOWOLJOZAUNE-UHFFFAOYSA-N 364.449 2.944 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)S(C)(=O)=O)N1 587849077 JLNJYHQYASTEBX-SDBXPKJASA-N 364.280 2.987 0 1 FFAF COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCCCC3)o2)c1 12197872 WIUOFJGWFIFEQB-UHFFFAOYSA-N 359.426 2.623 0 3 FFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cscn1 169229906 NXYDWEZDFADWER-UHFFFAOYSA-N 366.446 2.948 0 1 FFAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCc2ccc(F)cc2)cc1 769526 ABIAHRIPYYUKBW-NRFANRHFSA-N 369.440 2.991 0 1 FFAF CC[C@@H](C)OC(=O)C1=C[C@@H](C(=O)O)Cc2c(C(O)=CC(=O)O)cccc21 2356328795 IFLVTPZFSFAHSE-MNOVXSKESA-N 360.362 2.652 0 1 FFAF Cc1cc(C)cc(SC2=C(C(C)C)C(=O)NC(=O)[C@H]2COCCO)c1 102808776 VNZUEWWSRMNKNI-HNNXBMFYSA-N 363.479 2.587 0 1 FFAF NCC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1 29052241 ZJJCEVJPCBDRSR-UHFFFAOYSA-N 356.861 2.794 0 1 FFAF CC(C)(O)[C@@H]1Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@@H]1O 2356539828 BEELJZPOZYDTHN-RBUKOAKNSA-N 354.358 2.731 0 1 FFAF CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 36378226 OVICWRANQXMJNG-DOPJRALCSA-N 366.490 2.832 0 3 FFAF CCN1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)CC1 82055632 GXRIEPZGHRRKBK-SDXDJHTJSA-N 369.490 2.683 0 1 FFAF CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccccc1 95895334 IBJWYNZKJSVCRK-BHIFYINESA-N 364.489 2.998 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(CC)C(=O)c2ccccn2)cc1 95895164 YTHFCMMKVCIUDY-PHNIROHWSA-N 365.477 2.693 0 1 FFAF CN(CCO)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cn1 96270030 LZDJIRVODCZALV-UHFFFAOYSA-N 357.454 2.825 0 1 FFAF Oc1nc(O)c2ccc(-c3cc(Br)c(F)cc3O)nc2n1 587368289 MSZYZODKODIYGF-UHFFFAOYSA-N 352.119 2.710 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ncnn2C)(C2CC2)N1 587759997 NKUYQPOGPKFUSA-FVMDXXJSSA-N 365.250 2.905 0 1 FFAF COc1cncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587117501 CPDUEUHZIJVNQH-UHFFFAOYSA-N 364.287 2.885 0 1 FFAF COC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797847 XTPQKVVYBMUFHC-VFZGTOFNSA-N 360.223 2.527 0 1 FFAF N[C@@H](Cc1cccc(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 586983576 DTVPWCFSZPEIGG-VIFPVBQESA-N 352.623 2.963 0 1 FFAF COC(=O)c1ccc2nc([C@@]3(C)c4ccsc4CCN3C(N)=O)[nH]c2c1 962716557 WTFYWAYOPILJEQ-GOSISDBHSA-N 370.434 2.611 0 1 FFAF CC1(C)C[C@@]2(C=C(C(=O)O)O1)c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962570134 HVVOLGJKNMXRKJ-KDOFPFPSSA-N 363.797 2.700 0 1 FFAF COc1cc(OC)c(Cc2coc3cc(O)cc(O)c3c2=O)c(OC)c1 1772610798 XEMPPLDSLDKOEE-UHFFFAOYSA-N 358.346 2.821 0 1 FFAF O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)O)c1 169691329 KDWSKEWYPWEFCM-UHFFFAOYSA-N 361.423 2.718 0 1 FFAF O=C1c2[nH]ncc2[C@H]2CCC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1 102048822 ODSMHUDVEWNHJT-CHWSQXEVSA-N 351.815 2.544 0 1 FFAF CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccccn1 28236905 PUWMPAVEDJLRQX-UHFFFAOYSA-N 362.861 2.578 0 1 FFAF Cn1ccnc1CNC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 2356311989 PIXVWSYCDXZMNF-OAHLLOKOSA-N 357.845 2.626 0 1 FFAF CC(C)CN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO 20201202 YWDNLGFCXNTJRO-IBGZPJMESA-N 370.497 2.794 0 3 FFAF O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1ccncc1 20907717 OYXWAMRSELECLP-AWEZNQCLSA-N 350.344 2.894 0 3 FFAF COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 28522582 XOCXGISRYQTMMC-WOJBJXKFSA-N 366.465 2.917 0 1 FFAF Oc1cccc(-c2cc(NCc3ccccn3)nc(N3CCOCC3)n2)c1 66259101 IGYXLLPLDTYWEB-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF Cn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O 34282360 FZPYWVVOFIWWAQ-SFHVURJKSA-N 366.396 2.559 0 1 FFAF O=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1 73296222 KPBNNBPZVXBPFD-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4ccncc43)cc2)n1 49070415 XWXOZNSDTJGFSF-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCCOC(C)C 82203567 OZJPIOJJXRDBBY-UHFFFAOYSA-N 370.501 2.734 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(N)=O)C2)cs1 82069543 IRHRSEJFNFTJGG-GFCCVEGCSA-N 359.451 2.546 0 1 FFAF C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccsc3)c(=O)n21 82211009 LYDZCUVUWCTRAJ-LLVKDONJSA-N 374.491 2.780 0 1 FFAF c1ccc2nc(N3CC(c4nccnc4N4C[C@H]5C[C@@H]4CO5)C3)ccc2c1 145193866 FFBFPQPAOHWXKA-IAGOWNOFSA-N 359.433 2.606 0 1 FFAF C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@@H](C)C1 195520056 IPXVKACPVICYDY-YGJAXBLXSA-N 372.469 2.663 0 1 FFAF COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)C(=O)C[C@H](C(C)C)[C@@](O)(O3)[C@@H]12 238777230 LPMALGWBSPOACL-JQVQOLIESA-N 362.466 2.861 0 1 FFAF CS[C@H](Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O 149219953 PIVUSBYUJSQZGP-QGZVFWFLSA-N 371.462 2.617 0 1 FFAF COc1cc(OC)c2c(C)c(C(=O)Nc3ccncc3)oc2c1C(N)=O 96933649 KZWCBQRXERQTJL-UHFFFAOYSA-N 355.350 2.505 0 1 FFAF C[C@@H]1NC(=O)C(c2ccc(F)cc2)=C1c1cc(F)c2c(c1)NC(=O)CO2 96283362 QKZAWMWPTSDSCF-VIFPVBQESA-N 356.328 2.725 0 1 FFAF COc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3[C@@H](CO)[C@H](C)OC[C@H]3[C@H](C1)N2C 299821811 GQFQLUZOFRJACZ-SNUJFQBTSA-N 370.493 2.748 0 1 FFAF COc1cc2c(c(O)c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 85996669 NPNKBZWPJLBZHB-CYBMUJFWSA-N 355.390 2.890 0 1 FFAF biogenic CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(F)ccc21 587429653 WEWTZNLNINZKHL-JLTOFOAXSA-N 353.349 2.844 0 1 FFAF C/C(=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NCCO 587758625 YOHWQGXEOIYNKR-JIZHSALNSA-N 357.267 2.823 0 1 FFAF CCc1ccccc1NC(=O)c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 587240634 GYYPGWTYWNNMSG-UHFFFAOYSA-N 372.450 2.628 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCC(=O)OC)c1)CC2=O 587475668 NGEXRGIEMNLBRJ-QGZVFWFLSA-N 358.394 2.811 0 1 FFAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cn1 587245792 XVHCJZWQXZHBBY-UHFFFAOYSA-N 374.422 2.856 0 1 FFAF Cc1ccccc1[C@@]1(CN2CCOCC2)NCCc2c1c(C(C)C)nn2C 962922233 QSMVIHUZJRTWDN-JOCHJYFZSA-N 368.525 2.573 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccccc1OCC(=O)O 963614812 YXQKRSCTHSQTJS-MPBGBICISA-N 357.406 2.791 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 169687210 ZOEUBFKJBHQMPQ-QZTJIDSGSA-N 360.369 2.826 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050113 VBZYEFVRXATRLA-GOSISDBHSA-N 373.416 2.960 0 3 FFAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487113 BHVRCRBUCZFVEK-QGZVFWFLSA-N 362.470 2.876 0 1 FFAF CC(=O)NCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12 4268460 PNCVBVHPMXYCQT-UHFFFAOYSA-N 363.465 2.906 0 1 FFAF COc1cc(O[C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O 6453822 OJVGWDJIYBTWDS-ITHTXLDVSA-N 372.373 2.869 0 1 FFAF endogenous,in-man CCN1C(=O)COC2(CCN(CCc3c[nH]c4ccccc34)CC2)[C@H]1C 27984111 FMIQBHHPOYYOLL-MRXNPFEDSA-N 355.482 2.812 0 1 FFAF COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2 15219631 PSBYWDSXDKNYKB-NRFANRHFSA-N 367.401 2.555 0 1 FFAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)C[C@H]3O 14921207 XFQYJNINHLZMIU-LSDHHAIUSA-N 371.433 2.964 0 1 FFAF biogenic O=C(c1ccncc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 84587845 KUOBIUHDTBDDNJ-UHFFFAOYSA-N 371.400 2.512 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(N)=O)c(Cl)c1)O2 587376142 QFADISDLQQQHCM-INIZCTEOSA-N 360.797 2.801 0 1 FFAF O=C1C[C@@H](c2nc3cnc(Cl)[nH]c-3n2)CN1Cc1ccc(F)cc1F 587150313 SCVZKBKSYZRSIK-SECBINFHSA-N 363.755 2.752 0 1 FFAF Oc1cc(O)nc(SCc2nc3cc(Br)cc(F)c3[nH]2)n1 586967000 QYYAOOQWLBUGCY-UHFFFAOYSA-N 371.191 2.958 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C(=O)C=CC3=O)c1)O2 587390302 GPRHEGWKRPWMJX-OAQYLSRUSA-N 362.385 2.887 0 1 FFAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 587650826 USFRBYNIRKKTTH-SQABVJJCSA-N 374.462 2.562 0 1 FFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587785817 OXKOSYWXIVYCOX-UONOGXRCSA-N 372.402 2.753 0 1 FFAF Cc1c(I)cnn1[C@@H](C)c1nc2cccnc2[nH]1 587181921 ICXGSZQBVZVMEK-QMMMGPOBSA-N 353.167 2.677 0 1 FFAF C[C@]1(c2cnc[nH]2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963197133 MRIZXESEJHRBEO-YMTOWFKASA-N 359.735 2.944 0 1 FFAF CC(C)c1nn(C)c2c1[C@](Cn1cncn1)(c1ccc(F)cc1F)NCC2 962918219 NQLVDJHUBVIPQZ-IBGZPJMESA-N 372.423 2.503 0 1 FFAF CN1c2ccccc2[C@@]2(CS1(=O)=O)c1c(F)cccc1C[C@H]1CCCN12 963115417 VIPVBKKMDVOYQU-QRWLVFNGSA-N 372.465 2.869 0 1 FFAF NC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1 1772579685 AKPBQBKCNXJXAK-XPGWFJOJSA-N 366.465 2.645 0 1 FFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CCC[C@H](C3)N4C)cc21 13650328 VCOUHOQKYYYKQQ-BETUJISGSA-N 373.428 2.532 0 1 FFAF O=C(O)Cn1cnc2c(NC(=O)c3cccc(-c4ccccc4)c3)ncnc21 1857579901 HKHQUFVPYZFWFY-UHFFFAOYSA-N 373.372 2.830 0 1 FFAF COC(=O)c1sc2ncnc(Nc3cccnc3O[C@@H](C)CN)c2c1C 118816831 ARDYAJXUBPKOEU-VIFPVBQESA-N 373.438 2.651 0 1 FFAF Nc1cc(O)c([C@]2(O)C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 29313762 HTWJDYDVPZQGAQ-AWEZNQCLSA-N 358.703 2.835 0 1 FFAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)OCCCO[N+](=O)[O-])O2 28876859 IZFMQGLXSDIVDC-QGZVFWFLSA-N 353.371 2.543 0 1 FFAF O=C1NC(=O)[C@H](Cc2ccc(OC[C@H]3COc4ccccc4O3)cc2)S1 28714377 BRJZNYVTUDTZFD-YOEHRIQHSA-N 371.414 2.800 0 1 FFAF COc1cc(-c2cc(=O)c3c(OC)c(O)c(OC)c(OC)c3o2)ccc1O 39250960 BZNGSWUAGQYGFV-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CC(C)c1cc2c3c(c1O)OC(=O)C[C@]3(C)[C@H]1[C@H](OC(=O)C1(C)C)C2=O 14683918 BRVFBXOJAHGUQS-UWVAXJGDSA-N 358.390 2.847 0 1 FFAF biogenic CN1C(=O)[C@@](c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N 72183329 SXYPETJOWBBGQK-IBGZPJMESA-N 366.421 2.980 0 1 FFAF O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccc(O)cc1 1911570800 PSVGRKJKBCOGAQ-UHFFFAOYSA-N 350.399 2.968 0 1 FFAF CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142935096 NSBYDCURMKSEIJ-SECBINFHSA-N 374.338 2.965 0 1 FFAF O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O 586989315 DOXXKWALUWGZEI-ZWNOBZJWSA-N 356.381 2.928 0 1 FFAF CCOc1ccccc1[C@](N)(c1nc2cc(N)c(N)cc2[nH]1)C(F)(F)F 587092391 LURVFFWVNKWQDQ-INIZCTEOSA-N 365.359 2.891 0 1 FFAF CS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913090 IAPRPNWPYYRFSR-UHFFFAOYSA-N 372.446 2.769 0 1 FFAF CCc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C 587275935 HHOSKRWHZQHHHC-UHFFFAOYSA-N 364.199 2.610 0 1 FFAF COC(=O)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586993220 VCTOXHVNNZAGDB-ZDUSSCGKSA-N 373.364 2.924 0 1 FFAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncnc(Cl)c4[nH]3)no2)n1 587118589 OTCMPNWYKBJDTF-UHFFFAOYSA-N 369.694 2.925 0 1 FFAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@H]1[C@@H]2C(=O)OC 1772650635 GZTGPKOSHVZHKN-VONVPYQZSA-N 356.466 2.893 0 1 FFAF O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 13123723 PMLQNCYFCMZPGS-NWDGAFQWSA-N 367.249 2.824 0 1 FFAF O=Cc1ccn(-c2cc3c(cc2Cl)nc(O)n2nc(C(=O)O)cc32)c1 13472586 IPDQBXQCJNLMHR-UHFFFAOYSA-N 356.725 2.543 0 1 FFAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@]1(C)c1ccc(OC)cc1 1857539802 ARHDRXCKIHSTDA-GOSISDBHSA-N 357.435 2.864 0 1 FFAF COc1cc(OC)c([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1OC 4104067 RVSYJYUMWHPOMR-MSOLQXFVSA-N 371.389 2.708 0 3 FFAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@@H]1C=C[C@]2(O)C(=O)O1 104371209 AALLCALQGXXWNA-QVSNXKOUSA-N 358.390 2.533 0 1 FFAF in-man N[C@@](CC(Cc1ccccc1)Cc1ccccc1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27107475 IVCCJQSSJYEWAF-NNMXDRDESA-N 367.445 2.981 0 1 FFAF CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C1 103282241 RYNPFRHPNJVBPI-CYBMUJFWSA-N 357.454 2.500 0 1 FFAF O=C(O)CCCOc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 29335093 CSZCXZOWWYGHQG-UHFFFAOYSA-N 353.374 2.769 0 1 FFAF Cc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1 2356513094 RFUDNDQXKDXCES-YOEHRIQHSA-N 354.385 2.646 0 1 FFAF CC[C@@H]1CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356759870 GLLCWAAMMJOGIH-SKBGDPFCSA-N 362.429 2.737 0 1 FFAF CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@@H](c2ccc(O)cc2O)CC3=O)O1 13379884 JXVOAHGNNBAJCD-QZTJIDSGSA-N 356.374 2.879 0 1 FFAF biogenic C[C@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 141391312 KGBFNMXVPFHTFK-GFCCVEGCSA-N 371.368 2.565 0 1 FFAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@H]4C3)n1)CCC[C@@H](c1ccccc1)C2 253907948 VJUGZSKEQACKNI-UWVAXJGDSA-N 363.509 2.910 0 1 FFAF Cc1c(F)ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586955655 RDWBRXYWODTBAH-UHFFFAOYSA-N 374.441 2.577 0 1 FFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(O)cc2[nH]1 587202772 LIKMCRPREQWUOO-OAHLLOKOSA-N 355.350 2.711 0 1 FFAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccccc1C(F)(F)F 587368152 JGKDVBGJZUIMEB-UHFFFAOYSA-N 364.283 2.636 0 1 FFAF COCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863014 AWHGZNMNEVPZBP-UHFFFAOYSA-N 359.373 2.947 0 1 FFAF CON(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336136 LSAXAGMHXLTMQS-VQIMIIECSA-N 359.353 2.669 0 1 FFAF O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2CN1)-c1ccccc1C5=O 586989312 DOXXKWALUWGZEI-GWCFXTLKSA-N 356.381 2.928 0 1 FFAF C[C@]1(c2ccc(N)c(N)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971003 RZEHMFYGMGQLPM-SUMWQHHRSA-N 367.783 2.645 0 1 FFAF CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(c2ncccn2)C1 12436085 NLNKHBJHMNSOFK-QGZVFWFLSA-N 353.470 2.569 0 1 FFAF CC(C)n1cnc2c(NCc3ccc(O)cc3)nc(NCCCO)nc21 13819457 QGEPZWHTTXFKLM-UHFFFAOYSA-N 356.430 2.519 0 1 FFAF CCSCCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 169686651 GRBKZWVDAPXSJX-GJZGRUSLSA-N 364.423 2.553 0 1 FFAF O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@H]2Cc3cccc(=O)n3[C@H](C2)C1 4354845 XUQYIHPJSZHBKB-MBMGVGJDSA-N 367.493 2.946 0 1 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 100703252 NKNBHRVIZAXHLA-CQSZACIVSA-N 371.824 2.951 0 1 FFAF COc1cc2c3c(c1)[C@H](C(=O)Nc1cc(F)ccc1F)C(=O)N3CCC2 100658395 APXCOTMRFGDODW-MRXNPFEDSA-N 358.344 2.989 0 1 FFAF CCN1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1 66103069 DBQHGWPHPUINOK-UHFFFAOYSA-N 354.414 2.661 0 1 FFAF NC(=O)CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28020136 WLUBUOCSDSVUKG-UYAOXDASSA-N 371.431 2.644 0 1 FFAF O=C1N=C(O)[C@@]2(CCC(=O)N2c2ccc(Oc3ccccc3)cc2)C(=O)N1 28132280 TVKGACNFKXXAEF-UHFFFAOYSA-N 365.345 2.551 0 1 FFAF O=C(O)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O 36389424 BWOYUVBCIUQZKH-UHFFFAOYSA-N 371.414 2.752 0 3 FFAF CC(C)C(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O 14644546 RTGAIXBQQQCKJM-UHFFFAOYSA-N 372.329 2.844 0 1 FFAF biogenic COc1cc(C[C@@H]2COc3cc(OC)c(OC)c(O)c3C2=O)ccc1O 13481960 HJLHSGBGURTWAR-LLVKDONJSA-N 360.362 2.558 0 1 FFAF biogenic CC(=O)NCc1ccc2oc(=O)c(C(=O)Oc3cccc(F)c3)cc2c1 40860835 CYOIPMKMPSLFIE-UHFFFAOYSA-N 355.321 2.787 0 1 FFAF CC[C@H]1CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 238744683 AQEVIEYIRJHVMY-GSMVHFQTSA-N 354.450 2.647 0 1 FFAF Cc1ccoc1C(=O)Nc1cnc(N2C(=O)c3cccc(C)c3C2=O)nc1 473168093 KENJGVRNUUTITJ-UHFFFAOYSA-N 362.345 2.739 0 1 FFAF Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1CC(=O)O 587250478 VLHSATQKXFPRGD-UHFFFAOYSA-N 365.162 2.736 0 1 FFAF COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438612 PDPVHSBOSXHQAR-SZNDQCEHSA-N 363.369 2.992 0 1 FFAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587039680 HQBOQVYETCUNTO-ZDUSSCGKSA-N 373.442 2.521 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C(C)C 586932156 BPYVWITWNZYNLE-CQSZACIVSA-N 371.434 2.817 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(C)CC1 587869510 JNDKHZACHADGHP-UHFFFAOYSA-N 368.359 2.955 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 586921586 FHYYBRIKONIYEG-UHFFFAOYSA-N 374.418 2.819 0 1 FFAF O=C(O)c1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12 586957914 ATFYIARIGPXBOH-HXUWFJFHSA-N 357.229 2.682 0 1 FFAF COC(=O)[C@H](OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796230 SNRSDEGRJQWZGB-MIUALZABSA-N 360.223 2.526 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(S(N)(=O)=O)c1)O2 587408889 JMDWYJNSIIHTBC-CQSZACIVSA-N 366.826 2.585 0 1 FFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnnc(O)c2[nH]1 587197979 CPEAEAROHYSFFO-UHFFFAOYSA-N 360.377 2.584 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCN1C(=O)c3ccccc3C1=O)O2 587389905 DPFSHFAXPSJGLT-GFCCVEGCSA-N 350.374 2.597 0 1 FFAF CC(C)=C[C@H]1OC(=O)/C(=C\C[C@@H](O)/C(C)=C/CC/C(C)=C/CO)[C@@H]1O 14818334 XTDIHRJVDHZHKP-QHWFTRGWSA-N 350.455 2.581 0 1 FFAF C[C@@H](N=c1nc(-c2cncc(Cl)c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857769967 KKRJUHWKVGWXTJ-GHMZBOCLSA-N 358.877 2.852 0 1 FFAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc([C@@H](C)O)no1 3590206 WQZHWXMLRCKWAG-CYBMUJFWSA-N 357.414 2.547 0 1 FFAF O=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1 3814234 NOUFYSVCMVOTOJ-UHFFFAOYSA-N 363.461 2.992 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356408943 TYPMTMPLTVSOBU-LJHODMEESA-N 352.434 2.963 0 1 FFAF C[C@]1(O)C[C@@H]2OC(=O)[C@@H]3[C@@H]4CC[C@H]([C@@]15C[C@H](c1ccoc1)O[C@H]5O4)[C@@]23C 2356411659 WFNOPFDDUYBCLS-RJSRTUNPSA-N 360.406 2.565 0 1 FFAF O=C1[C@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1CC1CC1 2356466099 TWBPDAWEFVLIRP-GOEBONIOSA-N 355.463 2.922 0 1 FFAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C=O)CC4)OCO3 2356609485 BWRGZKJDIWERCZ-AWEZNQCLSA-N 353.374 2.711 0 1 FFAF Cn1cc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)c3ccccc3n2)cn1 23581908 KMAWOWRJEONXTH-INIZCTEOSA-N 372.432 2.919 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1[C@H]1OCc2c1ccc1c2OCO1)OCO3 2564853 AACMFFIUYXGCOC-QUCCMNQESA-N 353.374 2.945 0 1 FFAF biogenic Cc1ncsc1C(=O)NCc1cccnc1N(C)CCc1ccccn1 39399566 NTZJQYSLSLTBQN-UHFFFAOYSA-N 367.478 2.850 0 1 FFAF CN(Cc1cn(C[C@@H](O)COCc2ccccc2)nn1)CC1CCCCC1 73197785 BWBXKCGRESYXNB-OAQYLSRUSA-N 372.513 2.868 0 1 FFAF COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)cc(OC)c1 40917695 JYRGCGTVYFIVPH-HNNXBMFYSA-N 355.398 2.765 0 1 FFAF C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@H](C)C1 84671077 IPXVKACPVICYDY-USRAEIGSSA-N 372.469 2.663 0 1 FFAF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C 238737797 VXPUNMVIAYIYHG-RTRGJMTQSA-N 350.455 2.942 0 1 FFAF N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)ccc1F 146725627 HAJWXTFZZCDBAH-IYOUNJFTSA-N 369.419 2.987 0 1 FFAF N[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142906396 VMVSNRMSJYGJSA-NWDGAFQWSA-N 354.332 2.755 0 1 FFAF CC(C)C(=O)N[C@H]1CC[C@@H](Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473122490 SIBBXUMRESEGRS-IYBDPMFKSA-N 371.485 2.868 0 1 FFAF NC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160942 ISSQICUPHNLPJF-UHFFFAOYSA-N 370.775 2.761 0 1 FFAF COC1=COC(CO)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587832287 JHRQRDKINRXGCV-FVMDXXJSSA-N 370.218 2.712 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(=O)OCC)CC2=O 587475679 NINQSCVGGAIXOX-INIZCTEOSA-N 358.394 2.961 0 1 FFAF C[C@H](Sc1ncccn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586963355 IZHDTQPTNGHOPJ-ZDUSSCGKSA-N 354.483 2.958 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O 587435129 CZKXAJGNSWPVMH-APPDUMDISA-N 357.362 2.605 0 1 FFAF CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587431356 JZSKHAOLWDQPAV-JDSYDOCNSA-N 353.422 2.630 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1OC 587787263 UBTCSJAJMZJWLC-UHFFFAOYSA-N 370.361 2.855 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@]12CCc1nc3nc(O)nc(O)c3cc1C2 587557870 MGIFDRIFVOPGEL-LJQANCHMSA-N 372.425 2.694 0 1 FFAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2NCC2CC2)c2cc[nH]c(=O)c21 224915290 HDWQJMGEVDTGEP-UHFFFAOYSA-N 371.462 2.759 0 1 FFAF CN1CCCC[C@H]1CCNC(=O)c1ccc(NCc2ccncc2)nc1 11820709 DFVAGIYONLJMLW-SFHVURJKSA-N 353.470 2.693 0 1 FFAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CCOC2)C(=O)O)cc1 13442228 AZMGEVGFKCUYDO-WMZOPIPTSA-N 369.417 2.511 0 1 FFAF O=S(=O)(c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1)N1CCCC1 3191859 IQGYVUBRCDAZPK-UHFFFAOYSA-N 366.446 2.758 0 3 FFAF O=C(Nc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 3583165 IXNMVGNDMQPGCH-UHFFFAOYSA-N 372.362 2.546 0 1 FFAF Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c1 6820526 ZVSKCHMKLAIMJV-UHFFFAOYSA-N 361.448 2.721 0 3 FFAF CC[C@@H]1CCCCN1C(=O)c1sc2ncn(CCOC)c(=O)c2c1C 8662466 BWLIJOKUCWIFBY-CYBMUJFWSA-N 363.483 2.818 0 1 FFAF COc1cc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2cc1OC 59285638 DDYISLWLEWGTFI-LBPRGKRZSA-N 366.421 2.793 0 1 FFAF CN(C)CCc1c(Br)[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 26396164 PYGMMJMIGDWLCY-LLVKDONJSA-N 366.259 2.685 0 1 FFAF O=c1oc2ncccc2n1CCN1CCN(c2cccc3ccccc23)CC1 28261883 HDBDWCYTLHQPHE-UHFFFAOYSA-N 374.444 2.965 0 1 FFAF N[S@@](=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 28362456 FNOUIHYAHRADRU-JOCHJYFZSA-N 369.855 2.603 0 1 FFAF NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1 114591480 XPEOHPFVNQOFMU-LJQANCHMSA-N 368.364 2.805 0 1 FFAF N=C(N)NCc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1 27989555 ZUIIKNSUMVHYQK-UHFFFAOYSA-N 365.525 2.815 0 1 FFAF COc1ccc(NC(=O)CN2C(=O)CS[C@H]2c2ccccc2)c(OC)c1 28385900 AQGZTDSKEXDQMU-IBGZPJMESA-N 372.446 2.917 0 1 FFAF CC=C(C)C(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C 2356498151 KKDRQZCQNSHBHY-INIZCTEOSA-N 374.389 2.582 0 1 FFAF CCc1ccc(CCOc2ccc(CC(C(=O)OC)C(=O)OC)cc2)nc1 29567558 VCEAZZKRWRQVMM-UHFFFAOYSA-N 371.433 2.770 0 1 FFAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2cccnc2)C1 116981220 SBHALWAIZVZOLF-CYBMUJFWSA-N 364.453 2.790 0 1 FFAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1c(C)noc1C)C2 2356709702 QTAYHUSGVVOGOP-OAHLLOKOSA-N 355.394 2.971 0 1 FFAF CC=C1CN2C(=O)[C@@]3(c4ccc(OC)cc4NOC)C[C@H]2[C@H]2CO[C@H]3C[C@@H]12 2356744585 TWUIIOHPTBVCEV-RODAYXDMSA-N 370.449 2.502 0 1 FFAF CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2-c2nc(C)co2)C1=O 29396025 DWADBTCPCYEZHD-UHFFFAOYSA-N 367.390 2.811 0 1 FFAF Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(F)ccc32)cc1 28130533 CIDHJSQVKHMHFI-UHFFFAOYSA-N 371.437 2.976 0 1 FFAF Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(C(F)(F)F)ccc3c2n1 73161355 MHUHHWWTZFQYOT-IUCAKERBSA-N 365.384 2.996 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)c3cccnc3)N[C@H]2CO)cc1 95895659 TXSHIBFIWLFTAA-CUBNDNOMSA-N 365.477 2.693 0 1 FFAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 95577349 AYTPIZNIIKGNSC-SFHVURJKSA-N 371.462 2.934 0 1 FFAF COc1cc(Cn2cc(C(=O)Cc3ccccc3OC)nn2)cc(OC)c1 96932329 WZOVSKDAGDADBQ-UHFFFAOYSA-N 367.405 2.778 0 1 FFAF Cc1cccc2nc(C(=O)N3CCCC[C@]4(C)NC(=O)CCC[C@H]34)cn12 299850436 GENCXXXSKDFVEL-JXFKEZNVSA-N 354.454 2.696 0 1 FFAF CS(=O)(=O)Nc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 653831411 VKHYTRQRNNNOEX-UHFFFAOYSA-N 372.328 2.666 0 1 FFAF NS(=O)(=O)c1cccc2nc(-c3ccc(Br)cc3F)[nH]c12 587142929 RFHVJIQLEOUBCD-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CCC(N)CC3)[nH]c2c1 587256043 ATRIIYAUBDWRFJ-UHFFFAOYSA-N 350.488 2.578 0 1 FFAF O=C([C@H]1CCN1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587654254 JPGFXSVUAXKYGK-QGZVFWFLSA-N 353.809 2.965 0 1 FFAF CC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337534 PVCRLNHFPUVQJD-QWFCFKBJSA-N 355.365 2.928 0 1 FFAF COc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586682 LIXGSBNAJIROOP-MAUKXSAKSA-N 350.330 2.894 0 1 FFAF COc1cccc2cc3c(nc12)[C@@H](c1ccccc1OCC(=O)O)NCC3 963046215 IMGXCMQSBHZZCJ-OAQYLSRUSA-N 364.401 2.942 0 1 FFAF CC(C)C[C@@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150253115 YOPYPAFNHQZWSA-HXUWFJFHSA-N 359.470 2.768 0 1 FFAF O=S1(=O)c2ccccc2-c2c(N3CCN4CCC3CC4)ccc(F)c21 169308800 WITLOMKPGROHOE-UHFFFAOYSA-N 358.438 2.923 0 1 FFAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCC2(CC1)Cc1ccccc1O2 1259848381 UTZMENAQHFMAIX-UHFFFAOYSA-N 373.430 2.574 0 1 FFAF CCc1[nH]c(=O)n(C(=O)C(C)C)c1C(=O)c1ccc(-n2ccnc2C)cc1 575731 ZVLJCWFOIFCONO-UHFFFAOYSA-N 366.421 2.760 0 1 FFAF CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 6893085 UQARCQFUQKJFPE-LBPRGKRZSA-N 354.497 2.708 0 3 FFAF CC[C@H](C)NC(=O)Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 8604877 GJHDFVBOHYBCPR-ZDUSSCGKSA-N 352.438 2.625 0 1 FFAF COc1ccccc1OC[C@H]1SCCN1C(=O)[C@@H](C)SC(C)=O 27561396 ZDURMTKRLUSGIU-IAQYHMDHSA-N 355.481 2.644 0 1 FFAF COc1ccc(CCNC[C@H](O)C2=COc3ccccc3O2)cc1OC 28095633 IVPKTYYMHHZYTH-HNNXBMFYSA-N 357.406 2.510 0 1 FFAF CC(C)(C)NC(=S)NCCCCn1nc(-c2ccccc2)ccc1=O 27215370 NNSOOLARJSZODN-UHFFFAOYSA-N 358.511 2.953 0 1 FFAF COC(=O)Cc1ccc(O)c(Sc2cc(CC(=O)OC)ccc2O)c1 2356719182 PYWMCFOLHWOMMF-UHFFFAOYSA-N 362.403 2.680 0 1 FFAF O=C(CN1CCCCC1)Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 33823693 OQPREWHWFAHSRK-QFIPXVFZSA-N 363.461 2.873 0 1 FFAF O=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)c2c(O)ccc(O)c21 14636390 IDLZGEAPEUPIGD-MRXNPFEDSA-N 350.326 2.823 0 1 FFAF biogenic COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@@H]2[C@H]3CO)ccc1O 31900934 KBWKVVULAPXWFJ-VPCNSNALSA-N 358.390 2.557 0 1 FFAF c1cc(-c2nc(N[C@@H]3CCNC3)c3scc(-c4ccn[nH]4)c3n2)ccn1 223670463 DIZLWDYGGFCBNG-GFCCVEGCSA-N 363.450 2.917 0 1 FFAF O=C(/C=C\c1ccccc1)NCCCCNC(=O)Cc1ccc(O)cc1 221497720 QERNZIGNKQVFBH-RAXLEYEMSA-N 352.434 2.661 0 1 FFAF Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cn1 146161986 JYDYMWJEZLKIBS-CXMBCZLWSA-N 364.421 2.733 0 1 FFAF in-vitro CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C(N)=O)ccc1-2 96269675 XTPGPDAICNYURS-UHFFFAOYSA-N 355.423 2.683 0 1 FFAF Cc1c(F)ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587134985 ZAFYOOYGEBHGCK-UHFFFAOYSA-N 373.331 2.906 0 1 FFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc[nH]n1 587866783 PLHPCUMDGHRFOC-UHFFFAOYSA-N 351.288 2.774 0 1 FFAF CC(=O)N(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O 587740897 LLNVSGPAMMXZMZ-ABKXIKBNSA-N 371.250 2.733 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)S(C)(=O)=O)N1 587852273 ZLWZMRTXAMPZHF-SDBXPKJASA-N 364.280 2.987 0 1 FFAF COC(=O)c1ccsc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238682 VYDCKEUBNDDWGS-JKSUJKDBSA-N 368.414 2.771 0 1 FFAF CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1 168875494 LZXSMMDZXGUJJQ-UHFFFAOYSA-N 365.393 2.538 0 1 FFAF NS(=O)(=O)c1ccc(N=c2nc3[nH]oc(-c4ccccc4)c-3s2)cc1 1772618607 OOKGQDYRRQAPFP-UHFFFAOYSA-N 372.431 2.716 0 1 FFAF CC(C)c1cccc(C(=O)O)c1SCCn1cnc2c1NC=NC[C@H]2O 13807524 DVADQLJWEGAWJS-CQSZACIVSA-N 374.466 2.984 0 1 FFAF COc1c(OC/C=C(\C)C[C@@H]2C[C@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 15212302 WIKPBGTZLCOVAL-MCULPGLJSA-N 374.389 2.583 0 1 FFAF CN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1 203746985 FDZBZSBLRVVIGJ-AWEZNQCLSA-N 364.453 2.531 0 1 FFAF Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2CC1CCNCC1 1857744152 GPDICWJXBQZXCY-UHFFFAOYSA-N 356.861 2.652 0 1 FFAF Cc1ccccc1OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 15205525 JWYYKEBXIBRVLA-FIDHJVLJSA-N 350.411 2.770 0 1 FFAF COc1ccc([C@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)O)cc1OC 1645051 AAAGUOJHUURVQP-KXBFYZLASA-N 355.390 2.869 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356372166 ZKKZNKBDLLISQC-RDJZCZTQSA-N 356.401 2.706 0 1 FFAF CCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21 3960247 SVVHBNMRZYXOEU-UHFFFAOYSA-N 364.492 2.916 0 3 FFAF C[C@@H](Nc1c(Nc2ccnc(Nc3cccnc3)n2)c(=O)c1=O)C(C)(C)C 101595710 JYFUPVGUBMFMLF-LLVKDONJSA-N 366.425 2.801 0 1 FFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC 103539115 WAMYRZJIFKPJRY-SCDSTIRESA-N 374.397 2.805 0 1 FFAF O=C(Nc1ccccc1)C1=CC2=N[C@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 104008509 ONYXXGBVDIBREY-JSGCOSHPSA-N 350.344 2.841 0 3 FFAF C[C@@]12CC[C@@]3(O)[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=O)C2 29041870 YJJPMFZGGHVRFR-JKLRCQGYSA-N 350.455 2.529 0 1 FFAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCN(C)CC3)cc2)C1 59260603 WGDBSIUKEGGNAD-FXAWDEMLSA-N 371.529 2.529 0 1 FFAF CC(C)(C)C(=O)/C=c1/nc(O)/c(=C\c2ccccc2OC(F)(F)F)s1 103754037 CUQFRJXMFHHDHT-DRIRWXSCSA-N 371.380 2.972 0 1 FFAF Cc1cc(Cl)ccc1N1CCN(C(=O)COCc2ccncc2)CC1 64559341 RXMRMUKXZYDILW-UHFFFAOYSA-N 359.857 2.909 0 1 FFAF CCCC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@@H](C[C@H]12)C1=CCO[C@]143 2356537127 YSJIADOCDVFEDQ-DNEUNLEDSA-N 366.461 2.928 0 1 FFAF COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)CO2)[C@@H]1CO1 38932158 DQKIVJKTAXWJRV-UNSZEVEASA-N 364.482 2.857 0 1 FFAF CC1(C)O[C@@H]1Cc1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O 14762915 LSWDODWEFUHTNQ-BLLLJJGKSA-N 372.373 2.588 0 1 FFAF biogenic CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1C(=O)[C@@H]2O 14816088 WDPAWIPMFRGQCE-CFLQYTFWSA-N 362.422 2.986 0 1 FFAF biogenic OCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45364678 VXHJCXNRDBFYPT-LLVKDONJSA-N 368.277 2.888 0 1 FFAF CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208041 NMTDPTWYRIOGIM-INIZCTEOSA-N 374.460 2.860 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)co1 82070506 YQJXMIQLWIIQON-CYBMUJFWSA-N 353.378 2.678 0 1 FFAF COc1cc(/C=C2/C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 238759563 PYINQNNZGBAXJN-UUINEXAVSA-N 354.358 2.929 0 1 FFAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O 95561249 DGZLHXBKGBELTQ-OAHLLOKOSA-N 369.856 2.525 0 1 FFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(OC(C)C)ncn3)C2)cc1 142236274 QNINEQSEDJZHMR-AWEZNQCLSA-N 370.453 2.729 0 1 FFAF COC(=O)CSc1nnc(COCc2ccccc2)n1-c1cccnc1 618017564 SQVWVXCPCKHSDX-UHFFFAOYSA-N 370.434 2.644 0 1 FFAF OCCNc1nccc(NCCNc2ccnc3cc(Cl)ccc23)n1 653858644 NWVRLHHKPBDUGX-UHFFFAOYSA-N 358.833 2.606 0 1 FFAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519249 WVTQMVZJIYPUCM-UNEKCQOXSA-N 369.461 2.925 0 1 FFAF COc1cc(C)c(N)c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587249072 IAPJDQJVDZHFRF-UHFFFAOYSA-N 351.454 2.881 0 1 FFAF Cc1cnc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587661323 WYLUAZMOCWDNOW-UHFFFAOYSA-N 360.348 2.990 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(C)ccn1)[C@@H](C2)C3=O 587433495 RIFCUFMPDDFPQF-VBKZILBWSA-N 352.390 2.934 0 1 FFAF O=C(CCCCC(=O)OC[C@@H]1CC[C@H]2O[C@H]2C1)OC[C@H]1CC[C@H]2O[C@H]2C1 100049386 DJUWPHRCMMMSCV-SUMCQTLJSA-N 366.454 2.768 0 1 FFAF COc1cccc([C@@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 114876943 GTVRJNNFXVMASB-DLBZAZTESA-N 373.430 2.702 0 1 FFAF COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 12208157 KFCOHQFVHSSHDI-ZDUSSCGKSA-N 363.385 2.534 0 3 FFAF CC(C)(O)c1cc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)on1 1857562765 ALQNTWYDXLVNEG-LBPRGKRZSA-N 354.410 2.798 0 1 FFAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2cncnc2)C(C)C)cc1 1857577189 YXENAGROXKSGSK-UHFFFAOYSA-N 370.453 2.684 0 1 FFAF COc1ccc([C@H]2[C@H](C(=O)O)[C@H](c3ccc(OC)cc3)[C@H]2C(=O)O)cc1 299872830 PCQGFNFDLGXLPB-OPMHRUBESA-N 356.374 2.986 0 1 FFAF CC/C=C/CC(=O)NCc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)CC)cc1 29056139 SISFQEWYJPFZBT-PUPYBWJYSA-N 360.454 2.888 0 1 FFAF CNc1nc2sc(-c3ccc(CNC(C)=O)cc3)nc2c2c1ncn2C 66258979 PJXWJWYSUNYZCE-UHFFFAOYSA-N 366.450 2.923 0 1 FFAF NS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1 27874406 DZHOTHYBXMZNBI-UHFFFAOYSA-N 372.381 2.526 0 1 FFAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@H](O)CCCC(=O)O 2356676836 ZZMKOZNTEJVKRY-GBESFXJTSA-N 350.455 2.905 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)C1 2356745357 UWAIXFGHQNPRSB-HNNUKVKDSA-N 350.455 2.798 0 1 FFAF COc1ccc2c(c1O)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 14442102 LWPLPJQNBQQUKR-IEBWSBKVSA-N 369.373 2.570 0 1 FFAF biogenic CN1CCN(CN2N=C(c3ccc(-c4ccccc4)cc3)CCC2=O)CC1 49803026 GXSUSNQSUUHRRJ-UHFFFAOYSA-N 362.477 2.885 0 1 FFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40981077 LBGSSOGVCFPGLZ-AVHYGJPMSA-N 356.777 2.740 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587043277 YOPNTKVLLPGETG-KBPBESRZSA-N 354.435 2.691 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2c(Br)cncc2[nH]1 586966307 AUVIZNYTSJBZLO-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF OCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 586895496 JYWXFOLWCMRLMV-UHFFFAOYSA-N 351.147 2.722 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)nc1N1CCOCC1)O2 587379145 GFZKFDYSUDHZJV-OAHLLOKOSA-N 374.828 2.564 0 1 FFAF CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](OC)O1 587616810 MCSZDUHBBLOQRA-LUHOGHJFSA-N 372.373 2.704 0 1 FFAF CC[C@@]1(CC(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924885 XJLKRTHRNVUBON-PXNSSMCTSA-N 371.389 2.863 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@H](c3nccnc3-c3cccnc3)c3cccc1c32 963038728 YATMHQWMSJPHHK-JLTOFOAXSA-N 357.417 2.681 0 1 FFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c3c([nH]c12)CNCC3 1772603821 VFOQSZFQGYTWNG-UHFFFAOYSA-N 373.416 2.866 0 1 FFAF CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)Nc1ccon1 13583750 ORJCVUNJIANMGE-LBPRGKRZSA-N 353.419 2.903 0 1 FFAF CC(C)NC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 169685447 LMZKIRCZNPJKJL-GJZGRUSLSA-N 362.405 2.549 0 1 FFAF CNC(=O)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(NC)n2)cc1F 165359420 HVHAMWXUXMYXOM-UHFFFAOYSA-N 373.310 2.788 0 1 FFAF Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2C[C@H]1CCCO1 1857551890 SHIWQBRKEVPYAV-MRXNPFEDSA-N 370.474 2.955 0 1 FFAF C[C@H]1C[C@H]2O[C@@H]2CCC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 261184014 WUSYBKJSCTYKMV-TZTCFGBESA-N 366.797 2.916 0 1 FFAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 3906685 LNLGXTMGTDPBKY-UHFFFAOYSA-N 352.346 2.819 0 1 FFAF CCc1nnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)s1 102682287 BRGAXUCLCUDFEZ-UHFFFAOYSA-N 371.451 2.602 0 1 FFAF O=C(COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C(=O)O)c1ccccc1 28948073 KXZSOVFOFVXVTM-IBGZPJMESA-N 350.374 2.701 0 1 FFAF CO[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678124 OKRMRZDQZISBQO-GJZGRUSLSA-N 364.829 2.631 0 1 FFAF CC(=O)Nc1ccc2c(c1)nc1n2[C@H](CNCc2ccccc2)COC1 2356298927 KKYDJAQQWUIQCB-QGZVFWFLSA-N 350.422 2.856 0 1 FFAF CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@@H]1CC(=O)Nc1ccccc1 25429407 FKQFPVOKUSWUKU-DLBZAZTESA-N 359.470 2.816 0 1 FFAF biogenic CN(Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccn[nH]1 20783158 JZAVMWCKBWDMMK-SFHVURJKSA-N 365.437 2.644 0 1 FFAF C[C@@H]1C[C@@H](O)C=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 1911572966 JCDDKPVUVBDMHS-MNOVXSKESA-N 368.813 2.899 0 1 FFAF O=C([C@@H]1CCc2ccc(OCc3cc(F)ccc3F)c(=O)n21)N1CCCC1 40917890 SDCUZKWKTMRTGO-KRWDZBQOSA-N 374.387 2.815 0 1 FFAF COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82133931 IBOJPBGDUKWZTF-UHFFFAOYSA-N 354.454 2.756 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586951078 SLUHTOBYSQVPFL-UHFFFAOYSA-N 359.407 2.763 0 1 FFAF CSc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 586929516 DSDGOELIVRFGSM-UHFFFAOYSA-N 363.464 2.820 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O 587427114 GUCRCQYSMYXKHB-CFZJUORYSA-N 363.385 2.770 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1ccc(-c3ncccn3)cc1)N[C@H](C(=O)O)C2 963524239 KKCBVMLSOLWSQH-QFBILLFUSA-N 361.401 2.846 0 1 FFAF CCOC(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2cccnc2)n1 13812853 MRSPIUOFEMHXAB-UHFFFAOYSA-N 371.418 2.515 0 1 FFAF OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14966847 HXHQENYKJFZYKN-CYBMUJFWSA-N 372.284 2.705 0 1 FFAF CCCn1cc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1 200622701 ZRDIAKGZSDJODF-UHFFFAOYSA-N 370.420 2.932 0 1 FFAF Cc1nc([C@H](NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207365161 AQMXYUZTUBYUNT-OAHLLOKOSA-N 369.425 2.715 0 1 FFAF COc1cc([C@@H]2OC[C@@H](Cc3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O 2356338280 SFMHPISSGZFAHZ-XFQAVAEZSA-N 374.433 2.957 0 1 FFAF CCOc1ccc(-n2nc(C(=O)NC(C)C)c3ccccc3c2=O)cc1 2942861 OQTXJYPJRIZPHH-UHFFFAOYSA-N 351.406 2.923 0 1 FFAF CNc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1CCC[C@H]1CO 3597077 HTFJJCROWHRSOL-INIZCTEOSA-N 370.449 2.913 0 1 FFAF CC[C@@H](Sc1nnc(C)n2c1cc1oc(C)cc12)C(=O)N1CCOCC1 6894184 KDZVDUJUBOXCEI-MRXNPFEDSA-N 374.466 2.822 0 1 FFAF Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246998 PWUMXBLOOZZPTL-HGXGHBJXSA-N 362.495 2.972 0 1 FFAF COc1ccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1 103241910 UMUYLHQXRSPTRI-UHFFFAOYSA-N 355.375 2.636 0 1 FFAF CC[C@]12C=CCN3C[C@H](OC)[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 2356513445 ZPFAJIIDARZSTK-MQGJPIDWSA-N 366.461 2.846 0 1 FFAF CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCn1c(C)ccc1C 2356761955 OHJDHCBIQFHJEI-LJQANCHMSA-N 353.466 2.585 0 1 FFAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(CO)CC2)OCO4 2356819432 DLADBRMPRJPDCF-CQSZACIVSA-N 355.390 2.505 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)O 2356831843 JSDWWNLTJCCSAV-STEXWYFWSA-N 372.502 2.993 0 1 FFAF CNCCOc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 73311775 SQRFYIWXYCHRQS-UHFFFAOYSA-N 366.347 2.793 0 1 FFAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3cccc(F)c3)cc21 84587781 CZKWOWRYXYYFRG-UHFFFAOYSA-N 351.384 2.642 0 1 FFAF NC(=O)c1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 82081885 CTMYJLXXBKMAFZ-UHFFFAOYSA-N 352.419 2.916 0 1 FFAF Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C 198502202 LIVAPIWBIQYQLE-UHFFFAOYSA-N 355.419 2.989 0 1 FFAF Nc1nc(N)c2c(n1)N(c1ccccc1)c1ccc(Cl)cc1S2(=O)=O 40848330 XZABUPQKIKWNNU-UHFFFAOYSA-N 373.825 2.910 0 1 FFAF O=C(NC(=S)NNc1ncnc2ccccc12)c1ccccc1Cl 84653089 JKBKGKRXQGFNLC-UHFFFAOYSA-N 357.826 2.915 0 1 FFAF N=C(N)Nc1ccc(CCc2ccc(NC(=O)CCCCN)cc2)cc1 95594118 IUDFQVAVALAIOD-UHFFFAOYSA-N 353.470 2.845 0 1 FFAF Cc1csc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 299852428 RXQQURNAJJVEOB-UHFFFAOYSA-N 366.874 2.585 0 1 FFAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 653810017 LFTBTXRZYMBASU-OAHLLOKOSA-N 357.391 2.876 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1COCCO1 587863255 WHGZNJQSQUHIJW-ZDUSSCGKSA-N 356.300 2.633 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)cc(C(=O)O)c3[nH]1)C2 587247328 PGVWNECSXGBKEO-IBGZPJMESA-N 355.369 2.752 0 1 FFAF COC(=O)[C@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594926 PXCFYORZTLNOTC-UGZSSSENSA-N 370.357 2.816 0 1 FFAF COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386582 ZZHLWGXIWRHKJE-FQEVSTJZSA-N 371.364 2.709 0 1 FFAF C[C@@H](O)c1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 587021145 FYUPIAQIAASGSW-SECBINFHSA-N 368.422 2.799 0 1 FFAF COC(=O)C[C@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962623801 KVROBKJRYACLJC-SZNDQCEHSA-N 370.449 2.782 0 1 FFAF C[C@@H]1C(=O)OC=C[C@]12c1cccc3c1C[C@H](CNC(=O)OC(C)(C)C)N2C3 962630509 KAGSOCKOURORKR-MFLXSWDHSA-N 370.449 2.854 0 1 FFAF O[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)CC[C@H]1N1CCCCCC1 12468737 SFHCXTYFUMMVJW-DHIUTWEWSA-N 371.569 2.962 0 3 FFAF C[C@H](C(=O)Nc1ccc(F)nc1)N(c1ccccc1Cl)S(C)(=O)=O 169305279 CHYZOINXDCLQCA-SNVBAGLBSA-N 371.821 2.667 0 1 FFAF COc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1OC 169726072 GTMBZEOBOHHWJK-GDBMZVCRSA-N 352.415 2.935 0 1 FFAF CCCCCCOc1ccc(C(=O)N=c2cc[nH]cc2)cc1-n1cnnn1 1857592782 LHYHEPIVQUXWOM-UHFFFAOYSA-N 366.425 2.691 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 4051920 WVKPIMVEQYNNEJ-QUCCMNQESA-N 366.417 2.646 0 1 FFAF COCCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 8598012 NLBXROUAHWPHES-UHFFFAOYSA-N 369.421 2.653 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2)CO3)O1 2356400654 GAPUQIONZCUUIW-BBRMVZONSA-N 356.374 2.531 0 1 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3cccc(Cl)c3)cc12 114873423 XCKXIVYTASNKRE-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF C[C@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26004756 XINKQFDGGDKFDS-ZWKOTPCHSA-N 361.804 2.866 0 1 FFAF COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(Cl)ccc2n1 28817372 PDHCDIHAAMNZSD-GJZGRUSLSA-N 352.818 2.965 0 1 FFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(F)c(F)c2)c1 114078542 USAJQBGNUADRAW-UHFFFAOYSA-N 371.391 2.734 0 1 FFAF COC(=O)[C@H]1COCCN1C(=O)C(F)(F)Sc1ccc(C(C)C)cc1 28863794 LHDUVUPVXMFQMM-CQSZACIVSA-N 373.421 2.895 0 1 FFAF COc1ccccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21 29470522 RLOZYYXXLGYKEH-UHFFFAOYSA-N 351.332 2.968 0 1 FFAF CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@H]1CCO 61943295 GAOOXLBLYIYKGW-WXTAPIANSA-N 374.506 2.598 0 3 FFAF OC1CN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1 215837320 FJFNJDRRJWSQTN-UHFFFAOYSA-N 373.416 2.989 0 1 FFAF CC(C)=CCn1cc(C[C@H]2NC(=O)[C@@H](C(C)C)NC2=O)c2ccccc21 13430502 MGOFATRHLJYLQK-IEBWSBKVSA-N 353.466 2.789 0 1 FFAF biogenic CCCC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@H](C[C@H]12)C1=CCO[C@]143 84651880 YSJIADOCDVFEDQ-SHYZFUQISA-N 366.461 2.928 0 1 FFAF O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccco1 82141957 JUJVZAJOQMIOMO-UHFFFAOYSA-N 370.453 2.883 0 1 FFAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299887523 ZAABBSDFYRKRDR-LZLXCTOHSA-N 356.422 2.895 0 1 FFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517902 WWTFQAMHJCVNHM-UWJYYQICSA-N 357.450 2.784 0 1 FFAF CCOC(=O)Cc1ccc2nc(-c3ccc(NC(=O)OC)nc3)[nH]c2c1 587244002 ABQRFTQPSUFFSS-UHFFFAOYSA-N 354.366 2.909 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1nccn1C)CC2=O 587471438 QFZTUXMXXGCXIQ-FQEVSTJZSA-N 372.421 2.892 0 1 FFAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCO)[nH]c2c1 586894400 CRUFCSGOOXSFMF-UHFFFAOYSA-N 351.815 2.552 0 1 FFAF COc1ccc2c(c1)[C@]1(C=CN2CC(C)=O)NCCc2nc3ccccn3c21 962993585 KEGOGYXKWWQLRE-QFIPXVFZSA-N 374.444 2.655 0 1 FFAF CCOC(=O)C1[C@H]2CC3(C[C@H]12)NCCc1cc2cccc(OC)c2nc13 963066055 LLRNSDTZNNNTRI-MZJZNKMSSA-N 352.434 2.804 0 1 FFAF CCOC(=O)c1cccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963018706 DSRJEGQWDBQQTL-ASSNKEHSSA-N 365.433 2.575 0 1 FFAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cnsc2)c2ccccc12 1772629895 XWXUUNOCAYOUMK-NNQSOWQGSA-N 369.446 2.763 0 1 FFAF COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(N)cc2[nH]1 1772635539 DIZWCUMLXKOOCC-UHFFFAOYSA-N 356.407 2.663 0 1 FFAF C[C@@H]1C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]1(C)C[C@H](O)c1ccoc1 13454813 QTKUKPZFMJWCPE-XRSVKNQHSA-N 350.455 2.658 0 1 FFAF CCCC[C@@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759714 PLZMNWQRIDASHR-CYBMUJFWSA-N 356.455 2.534 0 1 FFAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3ccccc3C1)CC2 13806850 MYQZTWVEKPGPBV-NRFANRHFSA-N 361.489 2.972 0 1 FFAF COc1c(O)c2c(c(OC)c1OC)O[C@H](c1c(O)cccc1O)CC2=O 200014525 PATIVCHEAFRGIZ-NSHDSACASA-N 362.334 2.536 0 1 FFAF CCN(CCNC(=O)Cn1c(=O)sc2ccccc21)c1ccccc1 2461530 LJJYGWUPMZVIKZ-UHFFFAOYSA-N 355.463 2.706 0 3 FFAF NC(=O)[C@]12CC3C[C@@H](C1)[C@@H](N1CC[C@@H](Cc4ccccc4)C1=O)[C@H](C3)C2 101073156 GRPWDRHUGPCUBI-KLYNFZOCSA-N 352.478 2.758 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 29488762 KPYLTXHXALSGPG-SZVBFZGTSA-N 356.466 2.718 0 1 FFAF CCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215049 MWUVJWIHDRHCFX-TZMCWYRMSA-N 354.838 2.995 0 1 FFAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@@H]1c1[nH]cnc1Cl 103169364 LYCKWJXPIMUUFZ-ZDUSSCGKSA-N 367.833 2.814 0 1 FFAF COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3Cc2ccccc2)cc1 28825430 UKLXQJXIZVDGOI-NNWRFLSQSA-N 352.478 2.905 0 1 FFAF COc1ccccc1CN1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356300785 XXWVGDOXZWULEM-YOEHRIQHSA-N 356.401 2.706 0 1 FFAF COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1C 116828272 YLJWAAAZHFEDGV-IAGOWNOFSA-N 366.465 2.619 0 1 FFAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@]21C 2356549796 KNOYIRAECGPNAK-NPORSGNOSA-N 364.482 2.556 0 1 FFAF CC=Cc1cc2c(o1)C(=O)[C@@](C)(OC(=O)c1c(C)cc(O)cc1O)[C@H](O)C2 2356717178 JOYCBRUDRSSQCN-QRWLVFNGSA-N 372.373 2.748 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C(=O)O)OCO2)OCO3 13408603 MVXPONFJJHYSIL-AWEZNQCLSA-N 369.373 2.614 0 1 FFAF biogenic CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2cccnc2)C(=O)O1 40914991 AZRVQVNCYCMXGY-YZILGEIOSA-N 361.438 2.903 0 1 FFAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82194206 JGZGXVURJNJZHT-RDJZCZTQSA-N 373.478 2.780 0 1 FFAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccco2)NC(=O)N1C 95590794 FTMYLLYSOIKOAU-QGZVFWFLSA-N 370.361 2.722 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(CS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587449720 RCGDQTPZUQTHSL-OXJNMPFZSA-N 372.442 2.903 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850848 SRLHESCYSYKOQM-LKFCYVNXSA-N 364.280 2.772 0 1 FFAF COC(=O)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442482 YDOJRYKXEPUNIA-VLIAUNLRSA-N 354.358 2.736 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C(=O)C(=O)OCC)CC2=O 587479436 IISCSZXRMLYIKB-VLIAUNLRSA-N 360.406 2.981 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1nccn1C)CC2=O 587469292 CEGJFWIXRTZNSY-IBGZPJMESA-N 358.394 2.502 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 587259870 NZVVDJVXMPPZGD-LBPRGKRZSA-N 374.832 2.664 0 1 FFAF N=c1ccc(Cc2nc3cccc(I)c3[nH]2)c[nH]1 587254845 QYPQZIJRYWMCBE-UHFFFAOYSA-N 350.163 2.566 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N1CCN(C)CC1 587863127 CWKZUEXXIUVWRT-UHFFFAOYSA-N 368.359 2.793 0 1 FFAF CC[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587618283 TXMDSZLOKYRLGH-GQWAEJPESA-N 352.342 2.984 0 1 FFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587969818 AHFLQOHZNRCLNR-QDMKHBRRSA-N 352.346 2.641 0 1 FFAF CN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347960 VWURQEXTYVSVPD-AZUAARDMSA-N 355.365 2.881 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CC3)ncc12 1772574720 OPYOGPFOGYQUGU-INIZCTEOSA-N 367.409 2.744 0 1 FFAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](C4=CC(=O)O[C@@H]4O)O[C@]3(CO)CC[C@H]12 5734524 KRFXWKURJSADKH-HWZNHPTPSA-N 350.455 2.551 0 1 FFAF O=C(c1noc2c1CCCC2)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 11668173 SAWQGMZRUVUKAP-AWEZNQCLSA-N 369.421 2.999 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccccn2)CC1 101472751 XFIGGKNEKYAMSF-MDJMGOSXSA-N 367.449 2.610 0 1 FFAF COc1ccc([C@@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@@H]2C(=O)O)cc1 1645053 YETYHCXNYZFWAD-BEFAXECRSA-N 369.373 2.589 0 1 FFAF Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3014071 QTYJUQRMKMPJND-UHFFFAOYSA-N 359.451 2.696 0 1 FFAF CC1CCN(C(=O)Cn2c(=O)c(C(F)(F)F)nc3ccccc32)CC1 4959006 ALHMGWPINVYIBI-UHFFFAOYSA-N 353.344 2.674 0 1 FFAF O=C(CCc1nc2cccnc2n1-c1ccccc1)NC[C@H]1CCCO1 6737674 OLOMKVKYFWFEAX-MRXNPFEDSA-N 350.422 2.648 0 1 FFAF CC[C@H](C)CO[C@@H]1C[C@H](CO)CCC=C(C)[C@H](O)[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356383300 IWFZPNVCTDXDMP-RSXOWRCSSA-N 354.487 2.695 0 1 FFAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NC(C)(C)C 2356302113 MDMUXIUDEOUQJW-GJZGRUSLSA-N 351.878 2.506 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@](O)(CO)[C@H]2CC[C@@H]13 118919799 MRRYTJCUHFJPKO-QCXIBVAZSA-N 350.499 2.697 0 1 FFAF Cc1ncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1 34836995 GUJRFGVYEUFMBQ-UHFFFAOYSA-N 354.439 2.884 0 1 FFAF O=C(NCCCc1ncc[nH]1)c1ccnc2nc(-c3cccs3)[nH]c12 145145390 IQNOAHGASRQODJ-UHFFFAOYSA-N 352.423 2.772 0 1 FFAF COc1ccc(CN2C(=O)N3Cc4ccc(C)cc4[C@@H]3CS2(=O)=O)cc1 96020176 UOGYFSUMGFTMKU-SFHVURJKSA-N 372.446 2.826 0 3 FFAF Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cccnc3)c3ccccc32)on1 299867286 XUJFYOKEQBYWDH-LICLKQGHSA-N 360.373 2.947 0 1 FFAF Cn1c(O)ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1=O 586989443 JATCFMZQEABIHN-UHFFFAOYSA-N 371.352 2.618 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)cc3[nH]2)c1 587142207 NQPWFOWSUFFTSF-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2[nH]cnc12 587870218 YIYBPNGLRPABIP-UHFFFAOYSA-N 361.287 2.628 0 1 FFAF CCOC(=O)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658186 JODJLLWSMGGCLU-UHFFFAOYSA-N 354.337 2.796 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587490837 RZFXJRNJEKCWKQ-CFZHHKCJSA-N 366.413 2.891 0 1 FFAF CS(=O)(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1CC3 587216754 LFNOWOAUSALYIT-UHFFFAOYSA-N 352.415 2.603 0 1 FFAF CCc1nn([C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3occc3n12 15943623 ZVQKMECPRFMTFT-MCIONIFRSA-N 370.453 2.870 0 1 FFAF CN(C)CCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 169318091 OBPVGZCQIXQUBB-IRLDBZIGSA-N 352.478 2.641 0 1 FFAF O=C(O)CCCCCCc1c(O)[nH]c(=O)n1CC[C@@H](O)C1CCCCC1 169692539 JDDDZFYKFFEAGW-MRXNPFEDSA-N 368.474 2.791 0 1 FFAF C[C@@H]1Cc2c(Br)nc3nc4c(c(N)c3c2NC1=O)CCCC4 1857588891 CESHYBBMCKIRIU-SSDOTTSWSA-N 361.243 2.984 0 1 FFAF C[C@@]1(C(=O)NCc2cccnc2)CCC(=O)N1CCc1ccc(Cl)cc1 2467253 RXBKEFYXSGQYNB-FQEVSTJZSA-N 371.868 2.975 0 1 FFAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049427 UBPVGRWMVYZWKC-HKUYNNGSSA-N 355.438 2.829 0 1 FFAF COc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)CN2c1cnc2ccccc2n1 116825033 IWVIDALMACPDIX-KBXCAEBGSA-N 360.417 2.599 0 1 FFAF COc1ccc(Cc2nnc3sc(-c4ccnc(F)c4)nn23)cc1OC 28712880 RUFYRWIFNZQOSV-UHFFFAOYSA-N 371.397 2.995 0 1 FFAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@](C)(O)[C@@H](O)CC1)[C@H](C)C(=O)O2 2356653200 FZQSMOGFOFEWKN-VOSWSFSHSA-N 354.487 2.718 0 1 FFAF COC(=O)c1ccc(C(=O)N2CCCCC[C@@]2(C)C(=O)NC(C)C)cc1 61907037 RIPZQBJLNHZEIV-FQEVSTJZSA-N 360.454 2.773 0 3 FFAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)N2CCOCC2)C1 12603322 SJJYEMHSNBJXMO-QZTJIDSGSA-N 366.465 2.943 0 1 FFAF biogenic O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccoc1 74387315 ROGZSQNFNOXBNC-UHFFFAOYSA-N 358.354 2.929 0 1 FFAF COc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1 73219707 UXOZSZOFORSOHH-UHFFFAOYSA-N 355.423 2.622 0 1 FFAF O=C1C[C@@H]2CCc3cc(OC4CCN(C5CCC5)CC4)ccc3C2=NN1 84670691 HATYSQMZVOJUBT-HNNXBMFYSA-N 353.466 2.869 0 1 FFAF O=C(O)CCc1ccccc1C[C@H]1[C@H](c2nc(CO)co2)[C@H]2CC[C@H]1O2 253690176 CVGQJRKPOPBTLN-MTNOOBJLSA-N 357.406 2.688 0 1 FFAF CC[C@]12CCCN3C(=O)C[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 85982296 YGSZHGCBNWBWPD-HKBOAZHASA-N 352.434 2.972 0 1 FFAF biogenic CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC(=O)[C@]3(O)[C@@H]1O2 653848795 SIVHBWNTOMFRIF-GVCFXIMESA-N 350.455 2.791 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)nc(S)n2)N1 587842513 FZGRNCYFTCHGCS-UANNBLPKSA-N 370.247 2.996 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2cc(Br)ncc2[nH]1 587228029 DXPSBDFPPSNSGQ-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Br)cnn1C)O2 587377342 MNCLYFUWTCJCSS-HNNXBMFYSA-N 350.216 2.954 0 1 FFAF Oc1cccc([C@@H](O)c2nc3cccc(I)c3[nH]2)c1 586888094 BFEPOYGOVFEEIK-CYBMUJFWSA-N 366.158 2.955 0 1 FFAF COc1ccc2c(c1)[C@@]1(C=C(C)N2CC(=O)O)NCCc2c(C)ccnc21 963075273 RPXXYKREYMKMPS-OAQYLSRUSA-N 365.433 2.596 0 1 FFAF CN1CCc2cn(C)nc2[C@@]12C[C@@H]1C[C@H]2[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 963954526 LLCAUPRARUFYBC-SZDLEDHQSA-N 372.513 2.626 0 1 FFAF Cc1[nH]n(-c2ccccc2)c2nc(C(C)(C)CN3CCN(C)CC3)nc1-2 138128200 XGOHONJWGOPZJM-UHFFFAOYSA-N 352.486 2.534 0 1 FFAF CN(C)[C@@H]1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772586365 UHIYATACPWKMNN-BZUAXINKSA-N 367.501 2.515 0 1 FFAF CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F 5757903 WUWDHQPLLZPRAK-ZDUSSCGKSA-N 354.275 2.725 0 1 FFAF COc1cc(/C=C(\C)C(=O)N2CCC=C(Cl)C2=O)cc(OC)c1OC 169331808 WDEMTNBDARYAIM-DHZHZOJOSA-N 365.813 2.997 0 1 FFAF C[C@H](O)[C@@H](CCc1cccc(C(F)(F)F)c1)n1cnc2c(N)ncnc21 1857640938 ZGOODOBAUZPGBU-GXFFZTMASA-N 365.359 2.982 0 1 FFAF N#Cc1ncc2nc1OCC=CCOc1cc(N)c(Cl)cc1NC(=O)N2 253666808 FHVFQSQNAWOJBQ-UHFFFAOYSA-N 372.772 2.555 0 1 FFAF CCOC(=O)CSc1nnc(Cc2ccccc2)n1C[C@H]1CCCO1 904422 DWEODNPTNPKGAK-OAHLLOKOSA-N 361.467 2.703 0 3 FFAF O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(C2CCCCC2)CC1 58575749 MAKZZEYOURRWCV-UHFFFAOYSA-N 370.541 2.771 0 1 FFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 2356302367 SYLWGXLSYDPIDX-XUVXKRRUSA-N 371.525 2.967 0 1 FFAF N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@H]1C(=O)O 29560996 VLZBRVJVCCNPRJ-IAMHBRQHSA-N 353.374 2.817 0 1 FFAF CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 26383790 CSZKNYBZEVPEJZ-OAHLLOKOSA-N 358.438 2.617 0 1 FFAF O=C(N[C@@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O 28820263 KTMKXZDZXDYLAP-GFCCVEGCSA-N 353.403 2.621 0 1 FFAF O=C(Nc1nc2ccc(F)cc2s1)N1CCN(c2cccnn2)CC1 28455477 HRYARCJPLFCEKV-UHFFFAOYSA-N 358.402 2.580 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](CC3CCCC3)C2=O)cn1 115731214 FGYCDDXDLONVOO-MRXNPFEDSA-N 357.414 2.541 0 1 FFAF O=C1NC(=O)[C@H]2c3c[nH]c4cccc(c34)Oc3[nH]c4cc(O)ccc4c3[C@H]12 2356722978 VLBHCPDDRYCSDJ-DOTOQJQBSA-N 359.341 2.984 0 1 FFAF COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1OC 14437072 WBQXQEDNDHFADV-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COCCN(CCOC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12 72104288 SYCBXVQNWIEAMH-UHFFFAOYSA-N 355.818 2.550 0 3 FFAF Cc1cnc(Nc2cn[nH]c2)nc1CCc1ccccc1C1(C(N)=O)CC1 211028742 IGVRMTANTIJHGI-UHFFFAOYSA-N 362.437 2.554 0 1 FFAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184655 FNHBCZPRVBTRCW-UHFFFAOYSA-N 370.432 2.837 0 1 FFAF O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82194774 JGZGXVURJNJZHT-DOTOQJQBSA-N 373.478 2.780 0 1 FFAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cccnc4)C3=C2)cn1 149093082 LAKPGJFZNPTTDJ-UHFFFAOYSA-N 369.428 2.940 0 1 FFAF COc1ccc(CN2C(=O)N3Cc4ccccc4[C@@H]3CS2(=O)=O)cc1 96020206 FMICUDBRQRTBKF-KRWDZBQOSA-N 358.419 2.518 0 3 FFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894848 NNDLDBAPAQCFGH-KCZVDYSFSA-N 372.509 2.554 0 1 FFAF CCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F 299829104 HPEOTEBHYCVLEV-UHFFFAOYSA-N 369.433 2.967 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299881904 OVKCQZKYKYWDLW-RPVQJOFSSA-N 357.479 2.906 0 1 FFAF CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)CC2 587211626 VDXBTQPWXYOWCY-GOSISDBHSA-N 365.389 2.528 0 1 FFAF CCc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 586931875 NXUWXXOLAVCTNW-UHFFFAOYSA-N 359.451 2.955 0 1 FFAF CCCC/C=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587965582 NKQYATMMWPKHPW-WAYWQWQTSA-N 356.470 2.516 0 1 FFAF COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587585252 CWFWTAZZXSNTRZ-QAPCUYQASA-N 350.330 2.894 0 1 FFAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NC3CC3)cc21 5058555 LMBMXPNIWWWZPW-VWLOTQADSA-N 354.431 2.726 0 3 FFAF O=C(NCCc1ccc(O)cc1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833635 UQPWOHIZEBRCGX-UHFFFAOYSA-N 358.781 2.565 0 1 FFAF CCNC(=O)Nc1ccc2ncc(Nc3cc(OC)cc(OC)c3)nc2n1 169711832 ZOQMIVJPGLELME-UHFFFAOYSA-N 368.397 2.927 0 1 FFAF COc1ccc2c(c1)cc1n2CCn2c-1[n+](C)c1ccc(F)cc1c2=O 1857574099 HTYNUBPIATYCSS-UHFFFAOYSA-N 350.373 2.609 0 1 FFAF C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nnc(-n3cccn3)s2)CC1 1857611939 FDVRGUKZYCSFRL-UKRRQHHQSA-N 374.514 2.635 0 1 FFAF CC(C)N1CCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)CC1 1857644371 OXYOGGMFEOPAMV-HXUWFJFHSA-N 366.513 2.692 0 1 FFAF CC1(C)CC(=O)C[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1 3635074 XLXJOOZEOJQFIM-SIKLNZKXSA-N 365.429 2.948 0 3 FFAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 4954768 BTZIDJQRUXBZIL-NFQUHZNNSA-N 361.397 2.942 0 1 FFAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356288587 HPTSPMBHFDPYPC-HCXYKTFWSA-N 363.546 2.844 0 1 FFAF CC[C@@H]1C[C@H]2N3CCc4c([nH]c5ccc(O)cc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356445607 HTMUFGIESLRLGP-VXJLSDCPSA-N 354.450 2.961 0 1 FFAF COC(=O)CC(=O)Nc1ccccc1COc1ccc(C(C)=O)c(O)c1 26393085 YFTHCNPLPMXVDB-UHFFFAOYSA-N 357.362 2.675 0 1 FFAF CC[C@H](C)Cc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 29039000 DGYBDPIIHYQKMR-VIFPVBQESA-N 362.377 2.673 0 1 FFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2nccs2)C3)cc1 2356454743 VZHRWGLZZGMILX-OAHLLOKOSA-N 356.451 2.704 0 1 FFAF CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@@]2(CC4=O)C[C@]12Nc1ccccc1C2=O 2356671411 YKFNOTOSNMPNBB-DSAKXZLESA-N 364.445 2.804 0 1 FFAF CN(C(=O)OCc1ccccc1)[C@@H](CC(=O)OCc1ccccc1)C(=O)O 2356842386 MNUSUYUWWCICIL-KRWDZBQOSA-N 371.389 2.842 0 1 FFAF O=C(N[C@H]1CCN2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2C1)c1cccs1 3840294 JLHFKPCNGPSRHM-JSGCOSHPSA-N 373.409 2.617 0 1 FFAF biogenic COc1ccc(Cc2nc(N)n(C)c2Cc2cc(O)c(OC)c(O)c2)cc1 14611957 RJCHCFQTUKAYAA-UHFFFAOYSA-N 369.421 2.612 0 1 FFAF biogenic COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2ccc(C)c(C)c2OC1 1911581433 XPMINCIZMOXLGM-HNNXBMFYSA-N 364.781 2.645 0 1 FFAF COc1cc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)ccc1O 84652719 BLYUCHZZUYMYGE-UHFFFAOYSA-N 371.393 2.803 0 1 FFAF COc1ccc(-c2nc(/C=C3\NC(=O)CS3)sc2CC(=O)O)cc1 95604198 DBCJWSYRUYPYCK-NTUHNPAUSA-N 362.432 2.607 0 1 FFAF C[C@@]12C[C@@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@@]21O 238775845 TVGJRQSGUWVHFC-DNFJUZHQSA-N 358.390 2.534 0 1 FFAF CS[C@@H](Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O 149219737 PIVUSBYUJSQZGP-KRWDZBQOSA-N 371.462 2.617 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cc1 253636454 ZYHSHBUXMTUHNX-PNYFIKQUSA-N 361.482 2.699 0 1 FFAF O=C([C@H]1CCO[C@H]2CCN(Cc3cccs3)C[C@H]21)N1CCCCO1 299843728 XDZJGYKEOZPWGJ-ULQDDVLXSA-N 350.484 2.529 0 1 FFAF O=C(NCCO)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1 653768955 IYEZGQWHBLITJR-UHFFFAOYSA-N 364.430 2.847 0 1 FFAF COc1cc2c3c(c1)O[C@](CC(=O)C(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587447151 MFSAMTFRLVBVTD-YCRPNKLZSA-N 366.369 2.690 0 1 FFAF COCCn1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587432123 NIYIVRGQSVKHDB-FOIQADDNSA-N 356.422 2.818 0 1 FFAF O=C(c1ccccc1)N1CC[C@H]2c3cc4c(O)nc(O)nc4nc3C=C[C@@H]2C1 587557960 NKNYQXQINAKCKG-ZIAGYGMSSA-N 374.400 2.709 0 1 FFAF O=C(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1cccc(F)c1 587163643 SVORBAORIRBNOY-UHFFFAOYSA-N 363.370 2.520 0 1 FFAF O=C1C[C@H](Cc2nc3ncc[nH]c-3n2)c2c(Br)cccc2O1 587004594 XMKHLXHNBJDKFG-QMMMGPOBSA-N 359.183 2.702 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606001 FOVZEPATWUYCAT-CRAIPNDOSA-N 362.403 2.547 0 1 FFAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncncc2[nH]1 587001420 ZGOKXQRKPOYUBV-UHFFFAOYSA-N 359.139 2.594 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 587793702 KJYGRBYLVBHSQP-NZFNHWASSA-N 368.206 2.807 0 1 FFAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3c(nn2)OCCO3)c1 963001343 AQXBTQMULDAUGL-GOSISDBHSA-N 366.446 2.852 0 1 FFAF CN1C(=O)CCc2cc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)ccc21 963025064 JHQWQALTHNWQMQ-NYHFZMIOSA-N 361.445 2.738 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@](CCC(=O)O)(c3ccccc3F)c3cccc1c32 963036345 XIUYRIYNEXGVCU-LRTDBIEQSA-N 368.408 2.987 0 1 FFAF CNCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651131 RLZOQWGZLJNRQT-LJQANCHMSA-N 361.445 2.904 0 1 FFAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCCC1=O 13862022 XDQXFQABFIWNIW-SJORKVTESA-N 360.454 2.955 0 1 FFAF Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 169689696 MJOZUOSADICMIL-CYGHRXIMSA-N 353.422 2.925 0 1 FFAF Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1ccc3c(c1)OCCO3)C2=O 1857628940 MBVVQCLONDSWSE-HNNXBMFYSA-N 367.357 2.578 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCO 4055228 BUECXFFCUXXCOD-FUHWJXTLSA-N 374.824 2.549 0 1 FFAF CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCOCC2)c1C 6804999 UUKZPHMRVIRPPT-UHFFFAOYSA-N 370.449 2.807 0 1 FFAF COc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1OC 29044960 BKIZATACJFMGCX-UHFFFAOYSA-N 353.426 2.602 0 1 FFAF CCCn1c(=O)c2nc(C34CC5C[C@H](C3)[C@H](C5)C4)[nH]c2n(CCC)c1=O 101106576 IDHJABAMUQNMKF-AANAODBRSA-N 356.470 2.784 0 1 FFAF in-vivo CCN1CCN(CC(=O)N2CCC[C@@H](CCc3ccccc3C)C2)CC1 20167865 XXSYTWNGCLAEQA-FQEVSTJZSA-N 357.542 2.804 0 1 FFAF O=C(NCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12 27656418 ORMCPPTXLJYWAR-UHFFFAOYSA-N 371.400 2.916 0 1 FFAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CC1 22940494 PZEMCHUXUQMTTJ-HSZRJFAPSA-N 364.489 2.671 0 1 FFAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@H]1[C@H](C)[C@](O)(CC)O[C@@H](CC)[C@H]1C 2356704936 NPCODZUACZMXSK-MFPXTYAMSA-N 372.502 2.690 0 1 FFAF Nc1ccccc1NC(=O)c1ccc(C(=O)CNC(=O)c2ccccn2)cc1 72175950 ASVAEJHOZXFGDD-UHFFFAOYSA-N 374.400 2.529 0 1 FFAF Cc1ccc(OC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)cn1 40762500 JQPBGRKMTKYABC-ZCNNSNEGSA-N 352.434 2.800 0 1 FFAF Cc1cnc(N)nc1-c1cc(C(=O)NCc2ccc(F)c(F)c2)n(C)c1 89469268 FYRRFWFGWGIVNT-UHFFFAOYSA-N 357.364 2.581 0 1 FFAF c1cc2c(cc1O[C@H]1OC[C@@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 43065142 ZZMNWJVJUKMZJY-VPCNSNALSA-N 370.357 2.883 0 1 FFAF in-man C[C@H]1C[C@@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 238780746 YIPMKFWEORGSOZ-YSMAYXDVSA-N 360.406 2.614 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/S(C)(=O)=O)nc2c1 586923574 QMRQLLNDAPOWKV-SNAWJCMRSA-N 373.228 2.517 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1NC(=O)c3ccccc3N1)CC2=O 587484929 OSBNZXQTQSVJGO-IEBWSBKVSA-N 352.390 2.860 0 1 FFAF CN(C)C(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968321 MVWSYEZPWPFYGF-UHFFFAOYSA-N 356.407 2.650 0 1 FFAF Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1C 586954948 JLZCKXRYVJAKGE-UHFFFAOYSA-N 370.478 2.747 0 1 FFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2N1 587123266 HHTDMEOGQFTBDD-KRTXAFLBSA-N 364.331 2.833 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(c(C(=O)O)nn3C)C1)CC2=O 587475633 MYCRBWPLYRZCTE-HXUWFJFHSA-N 370.405 2.669 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)Oc2c1ccc1c2CCCC1 587524909 MKYRAGUWYNXNEZ-MWUWBQKZSA-N 355.434 2.742 0 1 FFAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)C(C)(C)C 587205320 PHVSSNDNANRLPZ-QMMMGPOBSA-N 367.475 2.829 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)cnc2[nH]1 586965113 KYVRHXOHRJJGAO-UHFFFAOYSA-N 372.433 2.554 0 1 FFAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441379 KEIBMBQJCAOKMK-LRDNONRASA-N 358.390 2.504 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 587224194 HIBWAGRHMCCXIL-UHFFFAOYSA-N 373.434 2.608 0 1 FFAF O=C(O)C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 13781423 XOCCSXZPWVAFGY-CYBMUJFWSA-N 367.188 2.993 0 1 FFAF C/C=C(/C)C(=O)O[C@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 14589652 RRPAUYJABCIHOM-CQGMHPOZSA-N 350.367 2.926 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)[C@H]1C5 58482426 WWWFZTYANOYXAV-LMDOGRNLSA-N 373.456 2.759 0 1 FFAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1 117503538 XBIYMMZPQYOOJC-QGZVFWFLSA-N 355.390 2.720 0 1 FFAF FC(F)(F)Oc1ccc(-c2cc(NCCN3CCOCC3)ncn2)cc1 64539887 DYUBORNYBMVZLP-UHFFFAOYSA-N 368.359 2.786 0 1 FFAF CCOC(=O)[C@H](C)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 507033849 ABISLJZHMMKTNH-SNVBAGLBSA-N 354.453 2.848 0 1 FFAF Cc1cc(C(=O)N2CC(O)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144814123 SSYZIHZCIIUPOL-SFHVURJKSA-N 363.335 2.590 0 1 FFAF COc1ccccc1OCCNC[C@@H](O)COc1ccc2[nH]ccc2c1 96939705 SQJTXMUKACJDCJ-MRXNPFEDSA-N 356.422 2.585 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587260522 SLRKIFQGQZDWKI-JTQLQIEISA-N 350.209 2.606 0 1 FFAF COc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587236700 FNMMWKGMPSIKAS-UHFFFAOYSA-N 362.430 2.621 0 1 FFAF O=C(N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)C(=O)O)OCc1ccccc1 587204497 ZANHGMAQAKYAJL-CYBMUJFWSA-N 374.784 2.533 0 1 FFAF COC(=O)c1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cn1 586917578 SYOYGPKHQHYWOW-RNODOKPDSA-N 365.389 2.961 0 1 FFAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023962 JFWMXUVBENAFDB-DFFLPILJSA-N 364.445 2.793 0 1 FFAF COc1cc2c(cc1OC)[C@](CN)(c1ccccc1OC)N(C)[C@H](C)C2 962618880 CLNPGTSHQCBPGW-SZNDQCEHSA-N 356.466 2.791 0 1 FFAF CC(=O)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1O 1772606378 AOJCCGGSKWCHFI-UHFFFAOYSA-N 355.438 2.581 0 1 FFAF CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 14826955 YPBNKPNGOBYSJH-ROUUACIJSA-N 360.362 2.890 0 1 FFAF endogenous,in-man CC1(C)CN=C2N(C1)c1ccccc1[C@@]2(NS(C)(=O)=O)c1ccccc1 3778749 YWPIVSVANRZGCO-FQEVSTJZSA-N 369.490 2.738 0 1 FFAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 4903316 VGDDIIGMGNEWSS-YLJYHZDGSA-N 364.445 2.721 0 1 FFAF COCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O 6521936 HVXRYGRRAYBSDE-UHFFFAOYSA-N 364.467 2.503 0 1 FFAF CCN(CC)CCn1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 7991865 BNFQGXQZUKXQKA-UHFFFAOYSA-N 368.485 2.548 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@@](CO)(OC(C)=O)[C@H]2Cc1c3[nH]c2ccccc12 2356514861 ORKSTZFIQKROIC-WQZMEWCLSA-N 352.434 2.710 0 1 FFAF CCOC(=O)c1ccc(N)c(C[S@](=O)c2nc3ccc(OC)cc3[nH]2)c1 28230406 BYZZRNHFSCUDQS-AREMUKBSSA-N 373.434 2.638 0 1 FFAF CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N1CCCCC1 2356630151 DJDDDJVMHZSNPQ-IAGOWNOFSA-N 363.889 2.604 0 1 FFAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211062 XAWSJIZZGRFLQG-ZDUSSCGKSA-N 358.442 2.782 0 1 FFAF O=C1N[C@@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 195513678 SFZWSXJPRKAORB-NCXUSEDFSA-N 367.401 2.970 0 1 FFAF CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 227289921 PEKCMECYPPYYMG-BVGQSLNGSA-N 370.474 2.954 0 1 FFAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@]1(C)C(=O)NCc1ccccc1 95605200 KUAVLYAEXWMDGB-OAQYLSRUSA-N 368.481 2.920 0 3 FFAF C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@@]21C 43726322 QCXLEHMVJULREB-FXKILUIXSA-N 362.422 2.749 0 1 FFAF biogenic Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1C 586943102 VOSOHXRLUTXFSH-UHFFFAOYSA-N 364.858 2.749 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Br)cn1)[C@@H](C2)C3=O 587416466 BVHVCLZCMGGFBD-MEDUHNTESA-N 361.195 2.911 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)ccc3O)c(CC(=O)O)c2c1 587649927 NCWJPGUVWUWRRS-UHFFFAOYSA-N 363.366 2.710 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1O)[C@@H](C2)C3=O 587445908 ZBTXSKIQUUPAPL-HRAATJIYSA-N 367.401 2.726 0 1 FFAF CC12CN3CCN(C1)CC(C)(C3)C21CC(=O)c2ccc3c(c2O1)CCCC3 587526498 PWTVXYXOBQHYES-UHFFFAOYSA-N 366.505 2.927 0 1 FFAF Cc1c(-c2nc3c(C(N)=O)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029303 LXUVGPSTNCCQPM-UHFFFAOYSA-N 365.418 2.812 0 1 FFAF CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441020 DOTATKYYTSXZGS-IERDGZPVSA-N 368.385 2.910 0 1 FFAF COC(=O)c1ccsc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238679 VYDCKEUBNDDWGS-CVEARBPZSA-N 368.414 2.771 0 1 FFAF CC(=O)N(C)[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772576997 ICSAGNZCYOXTDK-GFCCVEGCSA-N 353.426 2.514 0 1 FFAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 12208150 KFCOHQFVHSSHDI-CYBMUJFWSA-N 363.385 2.534 0 3 FFAF O=C(NCCCn1ncc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 12580709 VPERPSPSIHPGRD-GOSISDBHSA-N 362.433 2.596 0 1 FFAF CC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201109865 ZODXTERUIKRCKD-YOMUGFJLSA-N 370.493 2.702 0 1 FFAF CCc1[nH]c(=N)[nH]c(=N)c1N1CCN(c2cccc(-c3ccccc3)c2)CC1 1857610076 VJHHRKVMEXTRRO-UHFFFAOYSA-N 374.492 2.858 0 1 FFAF O=S(=O)(C[C@]1(O)CN2CCC1CC2)c1ccc(-c2ccccc2)cc1 3795463 YCVUUBXTXSXKRZ-HXUWFJFHSA-N 357.475 2.584 0 1 FFAF CCc1nn([C@@H](CC)C(=O)N[C@@H](C)CC)c(=O)c2cc3oc(C)cc3n12 6821501 XRSVYFHQWFMITR-AAEUAGOBSA-N 358.442 2.979 0 1 FFAF N1=Nc2nonc2N=Nc2nonc2Oc2nonc2N=Nc2nonc21 103950816 JNMBWJUKDDMGAC-UHFFFAOYSA-N 372.181 2.571 0 1 FFAF CC1=CCC[C@@H]2[C@](C(=O)O)(C1)C[C@H](C)[C@]2(CO)CCC(=CCO)CO 2356538011 OGPOPMOZVDUDLJ-UUXHPUJUSA-N 352.471 2.514 0 1 FFAF C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 38463442 MTRMACOHLXKTOY-JQWIXIFHSA-N 355.364 2.584 0 1 FFAF CN[C@@H]1CCc2cc(O)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 13434595 XUCTUYPXJOLWKI-CQSZACIVSA-N 357.406 2.652 0 1 FFAF biogenic C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 82083944 IRHQXNPGPLLLSF-GFCCVEGCSA-N 371.418 2.702 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 195404202 YKLKQIKUUSJQGC-NPWKVKMJSA-N 365.429 2.652 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@@H]1CC[C@H](C2)N1 82154300 ZYXCONLULJQDHW-WBMJQRKESA-N 353.447 2.755 0 1 FFAF Cc1nn(-c2ccccc2)c2cc(N3CC[C@H](N4CCNCC4)C3)ccc12 147351072 JFNRGKDBJMDDEB-FQEVSTJZSA-N 361.493 2.818 0 1 FFAF COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)c1 82224273 SZFBLMAWSCAVDS-INIZCTEOSA-N 372.469 2.662 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(C1C(=O)OC(C)(C)OC1=O)CC2=O 587484354 TUAZVMPBOZQGOQ-IBGZPJMESA-N 362.378 2.521 0 1 FFAF O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586887534 FPMOGWDZIYZUSO-YFKPBYRVSA-N 367.121 2.722 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)nc2[nH]1 586962589 SHEAFAUSLVQOLM-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)nc2[nH]1 587094669 SGSJAVUCYUUUGB-YFKPBYRVSA-N 351.126 2.850 0 1 FFAF Cc1cnc(Cl)c2[nH]c(-c3nccnc3I)nc12 587186839 WNXKVSKHFYIMJK-UHFFFAOYSA-N 371.569 2.981 0 1 FFAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 587190959 QLQWSWCSOKZPNH-ZDUSSCGKSA-N 354.414 2.673 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425376 CFVRJZKXMFYTCW-KPZWWZAWSA-N 362.378 2.727 0 1 FFAF N=c1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c[nH]1 587003974 PQNYNORYTZQQCX-MRVPVSSYSA-N 373.210 2.768 0 1 FFAF OCc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 586895161 RPUADZMDWKPUGM-UHFFFAOYSA-N 351.147 2.722 0 1 FFAF Cn1cccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578945 SOAJBATTZPXBPH-JXFKEZNVSA-N 365.341 2.672 0 1 FFAF CN(C)S(=O)(=O)c1ccc2[nH]c(C(=O)CCc3ccccc3)nc2c1 587954137 FFOSDAFKDJSPOX-UHFFFAOYSA-N 357.435 2.629 0 1 FFAF Cc1noc(C)c1-c1ccc2nc(NC(=O)C[C@@H]3CCN(C#N)C3)cn2c1 1857584260 ACFBKIRZSKQCAR-AWEZNQCLSA-N 364.409 2.738 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1C[C@H]1CCCO1 1355878 PVMTWPRKGONUHR-LSDHHAIUSA-N 366.531 2.903 0 3 FFAF COc1ccc(C(=O)c2c3cc(OC)c(OC)c(OC)c3cc[n+]2C)cc1 1628777 HBDHLAUGMWWGET-UHFFFAOYSA-N 368.409 2.930 0 1 FFAF Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Br)n1 4078512 DJCQAUXRJPJHKP-UHFFFAOYSA-N 350.216 2.723 0 3 FFAF O=C1CN2Cc3c(sc4c3C[C@H](OCc3ccccc3)CC4)NC2=N1 27298985 HFLWMMOCPNUSAE-CYBMUJFWSA-N 353.447 2.946 0 1 FFAF Cc1ccccc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 117362080 LVFBZVPGEPDXOE-UHFFFAOYSA-N 363.461 2.714 0 1 FFAF C[C@H](NC(=O)c1cnccn1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356379168 KGPKYDQEYFHHBY-VIFPVBQESA-N 372.768 2.974 0 1 FFAF COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(Cl)cc2n1 28817381 GIAPMXUIVAVKSV-LSDHHAIUSA-N 352.818 2.965 0 1 FFAF CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26500498 NPAIQLABMWXCJM-HNNXBMFYSA-N 364.467 2.608 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1C[C@H](O)[C@@H](O)C2(C)C 2356401391 BUMAUDJEGAOISB-YZRFIYLOSA-N 354.487 2.733 0 1 FFAF COc1cc(C[C@H]2COc3cc(OC)c(O)c(OC)c3C2=O)ccc1O 2356614200 LBJYXBHITSHHEA-NSHDSACASA-N 360.362 2.558 0 1 FFAF CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCCOC)on1 36384202 VCFSCOHHQXSETQ-UHFFFAOYSA-N 354.410 2.525 0 3 FFAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 74379259 PNOUVGWTPBUHMV-MAUKXSAKSA-N 350.374 2.599 0 3 FFAF CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 45498162 JCLIKRXALDKJJT-KYTCBBFDSA-N 372.339 2.966 0 1 FFAF C[C@@H](C(=O)O)N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O 40875854 KRVPFJFEUNLXKD-AWEZNQCLSA-N 355.394 2.766 0 1 FFAF Cc1ccc(CNC(=O)c2c(C)n(O)c3ccc(Cl)cc3[n+]2=O)cc1 140981972 VIYUOVKRYUHVBU-UHFFFAOYSA-O 358.805 2.993 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccn1)([C@H]1CCCNC1)[C@@H](C2)C3=O 587440524 OUUYYIPTMLAABU-WDUKFBBWSA-N 350.418 2.733 0 1 FFAF C[C@H]1C(=O)[C@@]2(C=CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587760900 MWLQORFPPCXRJZ-LSYCYVAJSA-N 353.235 2.734 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586962393 DULCKKJQQPGCMB-CYBMUJFWSA-N 368.426 2.586 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587231399 NWIXAVSALIWIGC-UWVGGRQHSA-N 354.813 2.787 0 1 FFAF Nc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccn1 962709746 RLYCRYHEBKAAOR-TZMCWYRMSA-N 355.291 2.510 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](C)(Cn1cc(Br)cn1)NCC2 962923164 YJBVHEUKVFODCE-OAHLLOKOSA-N 352.280 2.564 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@@H]3O)C[C@@H]21 5734551 KRFXWKURJSADKH-FHSQRROHSA-N 350.455 2.551 0 1 FFAF C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1 11422464 HYRVDKQMFQOZAK-LIRRHRJNSA-N 372.465 2.922 0 1 FFAF COc1cc(OC)c(C(=O)c2c(OC)cc(OC)c(C)c2O)c(O)c1C 13378070 FNFOIDHLNJBEGD-UHFFFAOYSA-N 362.378 2.980 0 1 FFAF biogenic,in-vitro COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 201035268 QVGAECMHUSHDCG-ZBFHGGJFSA-N 371.393 2.796 0 1 FFAF N=C(N)c1ccc(-c2cccc(-c3cn4c(n3)CC[C@@H](C(=N)N)C4)c2)cc1 27193038 IUXFKUNLXPVYIV-QGZVFWFLSA-N 358.449 3.000 0 1 FFAF CC[C@@H](C)[C@H](NC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1 28114483 VZMCSBFDWDQKHG-PBHICJAKSA-N 355.438 2.995 0 1 FFAF CC(C)(C)CCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 35996402 KUTOSQWTZBPXJL-MRVPVSSYSA-N 364.286 2.539 0 1 FFAF COc1cc2oc(=O)c(-c3ccc4c(c3)OCO4)c(O)c2c(OC)c1OC 13436969 YSLIYOFBTRWGSD-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF biogenic CC(C)CCN1c2nc(Nc3ccc(CO)cc3)ncc2N(C)C(=O)[C@@H]1C 1911582063 AQNQUMXNCYHCBB-AWEZNQCLSA-N 369.469 2.930 0 1 FFAF COc1ccc(CNCCCCNCc2ccc(OC)c(O)c2)cc1O 82157312 JUGNXWRWILGXGJ-UHFFFAOYSA-N 360.454 2.775 0 1 FFAF CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1 84705585 QTYYJMBZPFCFLM-CXAGYDPISA-N 350.426 2.915 0 1 FFAF NC(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCCNC1 84703912 RQLNCXGTAKGPAC-LBPRGKRZSA-N 362.430 2.527 0 1 FFAF CCCN1CCN(c2nc(CCN(C)C(=O)c3ccccc3)cs2)CC1 98082647 CYRMFUIWABTZII-UHFFFAOYSA-N 372.538 2.990 0 1 FFAF CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12 653853926 GSIYTXVGPWMLGW-UHFFFAOYSA-N 361.398 2.532 0 1 FFAF COc1cc2nc(-c3nccnc3I)[nH]c2cc1F 587186726 QJGSMZFQMBBIEY-UHFFFAOYSA-N 370.125 2.772 0 1 FFAF N=c1ccc(Cc2nc3ccc(I)cc3[nH]2)c[nH]1 587254496 JZZMHNCPVZFQMN-UHFFFAOYSA-N 350.163 2.566 0 1 FFAF CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587431359 JZSKHAOLWDQPAV-ZSUOFZKHSA-N 353.422 2.630 0 1 FFAF O=C(O)CCn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587557636 LIFZCWGJWIRWOT-UHFFFAOYSA-N 350.334 2.532 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1N)[C@@H](C2)C3=O 587420644 YMXOGNAWELBGMU-BONVTDFDSA-N 361.195 2.924 0 1 FFAF Cc1nnc([C@H]2CCCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C2)o1 1772605284 PTNJDBRUJNQVCL-DVLBZAJFSA-N 361.442 2.634 0 1 FFAF O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCN(Cc1ccc(CO)o1)C2 12579544 ZOUANCQGPSTPTJ-OAQYLSRUSA-N 372.440 2.926 0 1 FFAF CC(C)(C)NC(=O)n1cnc2c(NC(=O)Nc3ccccc3F)ncnc21 169317200 YDYUWLOHQFNMNB-UHFFFAOYSA-N 371.376 2.966 0 1 FFAF CCn1c(O)cn(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)c1=O 169717593 RPTCJDKESMAVCK-UHFFFAOYSA-N 370.192 2.910 0 1 FFAF CCN(CC)c1cccc(Oc2ccccc2CN=c2[nH][nH]c(=N)[nH]2)c1 1857580792 PLXCUOHIBDDSHL-UHFFFAOYSA-N 352.442 2.890 0 1 FFAF Cc1ccc(-c2nc3c(c(-c4ccccc4)c2N)c(=O)n(C)c(=O)n3C)cc1 1857634609 FGWMQMVDWKFISK-UHFFFAOYSA-N 372.428 2.857 0 1 FFAF CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 5179347 TWUIBWLXZQOBCF-PMACEKPBSA-N 366.461 2.837 0 1 FFAF CC(=O)NCc1ccc(CN2CCN(c3ccc(F)cc3F)CC2)cc1 1490378 FQNKXHSTVKSMDH-UHFFFAOYSA-N 359.420 2.923 0 1 FFAF CCN(CC)[C@@H](C)CCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27561959 LBOJQBIKUHKFSE-BTYIYWSLSA-N 358.482 2.846 0 1 FFAF O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 26937247 GISAKNBHIDHKQY-NSHDSACASA-N 366.142 2.737 0 1 FFAF Cc1cccc(Nc2nc(NCCc3ccccc3O)ncc2C(N)=O)c1 28640579 JTKYLVYMQCUHIK-UHFFFAOYSA-N 363.421 2.988 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NCc2cn(C)c3ccccc23)cc1 2356616407 VWFVJDSPVKKJKD-VXSCBNMQSA-N 366.461 2.554 0 1 FFAF CC[C@H](C)[C@@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O 2356788135 BXXKDKYMYMHCKH-KRYHZZBUSA-N 373.453 2.577 0 1 FFAF CCC1=C(CC(=O)OC)[C@](O)(c2nccc3c2[nH]c2ccccc23)OC1=O 2356855262 RBLMMGLQKIXPQH-HXUWFJFHSA-N 366.373 2.688 0 1 FFAF COC(=O)C1=C[C@@]23C[C@H](C)CC[C@H]2[C@@]2(C)[C@@H]1C(=O)[C@H](C(C)C)C[C@@]2(O)O3 34750607 WWKLZOFMEXWTLT-MZADQFRGSA-N 362.466 2.861 0 1 FFAF COc1cc2c(cc1OC)[C@H]1[C@H](CO)c3ccc4c(c3CN1CC2)OCO4 31771566 QDPATENPRXQNAO-UZLBHIALSA-N 369.417 2.621 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 85953966 KQRXQIPRDKVZPW-NJBCPNAKSA-N 370.357 2.925 0 1 FFAF in-man CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 14829306 BQGJXFQCMYJENQ-SESVDKBCSA-N 352.434 2.729 0 1 FFAF biogenic COc1ccc(OC)c(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1 49051308 ZGVVZGASZMNLFQ-UHFFFAOYSA-N 362.385 2.763 0 1 FFAF COC1CCC2(CC1)Cc1ccc(C3CC3)cc1[C@@]21N=C(N)N(C)C1=O 140873592 YWOOOFKOHLVWRU-LFNLJPBCSA-N 353.466 2.678 0 1 FFAF Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccc(CCO)c3)cc2)cc1=O 95555664 RPQMGFMILRERQM-OALUTQOASA-N 361.445 2.835 0 1 FFAF CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 95893930 WLJHDKMSTGEMPM-IPMKNSEASA-N 369.396 2.553 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 95895166 YTHFCMMKVCIUDY-YKZJEMINSA-N 365.477 2.693 0 1 FFAF O=C1C(=O)N(c2ccccc2F)CCN1Cc1ccc(F)cc1Cl 95565228 VABISEWAFAYQSR-UHFFFAOYSA-N 350.752 2.994 0 1 FFAF COc1cc2c(cc1O)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 238743802 CELDISJHFVNAQK-ZDUSSCGKSA-N 355.390 2.890 0 1 FFAF COc1cccc([C@]2(C)O[C@H]3CO[C@@H]4N3[C@H]2O[C@]4(C)c2cccc(O)c2)c1 299831205 NSYIJCFXABHPQH-FCMAGTKHSA-N 369.417 2.902 0 1 FFAF O=C1CCC(c2ccccc2)(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 586877674 JZKPGBNHRVQNPC-UHFFFAOYSA-N 358.405 2.968 0 1 FFAF CCc1cc(O)nc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 586967117 UVSAAWAQSBTSNP-UHFFFAOYSA-N 356.333 2.674 0 1 FFAF CCOC(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656473 LFRMHIVPCNWQBH-UHFFFAOYSA-N 372.327 2.935 0 1 FFAF CN(C)C(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587197666 RXFVTGKYKJCAMG-UHFFFAOYSA-N 366.137 2.855 0 1 FFAF COC(=O)c1ccnc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 587164895 DZBXPSZGIJQUPH-UHFFFAOYSA-N 351.341 2.795 0 1 FFAF Cc1c(C(=O)O)sc2[nH]c(=S)n(-c3ccc4c(c3)OCO4)c(=O)c12 958054850 NYKSPUWTRPKFGP-UHFFFAOYSA-N 362.388 2.845 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CO)(c2c[nH]c3cccc(Cl)c23)N1 962926577 XNRGQCIYLANJHM-LPHOPBHVSA-N 374.799 2.795 0 1 FFAF CN1CCc2cn(C)nc2[C@@]1(CC(=O)C(F)(F)F)c1ccc(F)cc1 963956368 XKSIWYIDSRAISC-MRXNPFEDSA-N 355.335 2.812 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@](Cc1ncccn1)(c1ccccc1)NCC2 962931570 OEZZHHRQDLRCPH-QHCPKHFHSA-N 372.472 2.810 0 1 FFAF COc1ccc(CN(C(=O)Nc2ccc(C)cc2)n2cnnc2)cc1OC 1857750566 SSYIYQOEUGBGRA-UHFFFAOYSA-N 367.409 2.974 0 1 FFAF COc1ccc(CCN[C@H](CO)c2ccc(O)c3nc(O)ccc23)cc1 1857770412 TYNFNPLIMGKVAL-QGZVFWFLSA-N 354.406 2.520 0 1 FFAF CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 5179345 TWUIBWLXZQOBCF-VQTJNVASSA-N 366.461 2.837 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)c1 2356300362 UPJUDMPMNHWUDB-CRAIPNDOSA-N 356.401 2.706 0 1 FFAF COc1ccc2c(c1)nc1n2[C@H](CNCc2ccc3c(c2)OCO3)COC1 2356319871 MRQVZOBQPUIPDC-CQSZACIVSA-N 367.405 2.635 0 1 FFAF NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc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in-man COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 238757700 MTERRCUWEHAXPL-KWIDKMEJSA-N 362.466 2.893 0 1 FFAF COc1ccccc1CCCCNCCCCN1C(=O)[C@H]2CCCN2C1=O 96933535 APEXDSJBTDQYCA-GOSISDBHSA-N 373.497 2.814 0 1 FFAF COc1cc(O)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O 238732122 URESVQATQYONNI-MOPGFXCFSA-N 358.346 2.633 0 1 FFAF CN1[C@H](Cc2ccccc2)COc2cccc(N3CCCC3)c2S1(=O)=O 96020511 BTYXFXHYBVGBDS-QGZVFWFLSA-N 372.490 2.911 0 3 FFAF COC(=O)/C(=C\C[C@@H]1[C@@]2(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]31C)CO2)[C@@H]1CO1 95486370 DQKIVJKTAXWJRV-YDYWPDMCSA-N 364.482 2.857 0 1 FFAF biogenic,in-vitro O=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1 98083179 VOYZXRJNYUYGFI-UHFFFAOYSA-N 372.856 2.711 0 1 FFAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@H](O)[C@]2(C)O)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 31162301 ASJHAZDQDXYITE-DHRNXTTOSA-N 352.471 2.533 0 1 FFAF biogenic COc1ccc(Cn2c(C(=O)N3CCNCC3)cc3sccc32)cc1 653795657 OPGCBAWSDLAVGW-UHFFFAOYSA-N 355.463 2.805 0 1 FFAF CN(Cc1nc2ccc(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169738 IZCSUQIDXFXQTE-UHFFFAOYSA-N 355.341 2.801 0 1 FFAF CCn1ccc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432429 ORAQYYMPQNUOFO-PEUFOBNJSA-N 353.422 2.630 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cncc(Cl)c2[nH]1 587566554 SOCYTJILFJKDGY-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF COC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1OC 586925188 WUSIGTLJNMSJBK-ZHACJKMWSA-N 372.402 2.803 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(CCO)cc2[nH]1 587194135 MGHWSYHMWXRRIO-OAHLLOKOSA-N 362.474 2.615 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1nc(C(F)(F)F)cs1)N[C@H](C(=O)O)C2 963511039 RYEYYRFTFMGYOE-QPUJVOFHSA-N 358.341 2.864 0 1 FFAF CC(=O)CN1C=C[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962891348 ABOZJFZWUNBSGG-RXVVDRJESA-N 366.392 2.591 0 1 FFAF C[C@]1(c2c(Cl)ncnc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923712 RUQJOIUBINLOCS-BONVTDFDSA-N 356.184 2.785 0 1 FFAF COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=CC[C@]2(C)C(=O)CC[C@H]2[C@H]1C3=O 13746957 HAQMCHGVGABAFR-BHCGRYGZSA-N 370.401 2.851 0 1 FFAF CC(C)n1cnc2c(NCc3ccccc3)nc(N3CC[C@H](O)C3)nc21 13834599 QAZLAITVCWIMJF-HNNXBMFYSA-N 352.442 2.590 0 1 FFAF Nc1ncnc2ccc(-c3cc(F)cc(NCCN4CCCC4)c3)nc12 169341887 HFIRKJVPPWUORL-UHFFFAOYSA-N 352.417 2.921 0 1 FFAF CNC(=O)C=Cc1c[nH]c(=N)c2c(-c3ccc4c(c3)OCO4)csc12 1857624021 JSDGKSMNPHJDFK-UHFFFAOYSA-N 353.403 2.864 0 1 FFAF CCOC(=O)[C@H]1CCCN(c2[nH]cnc3c4c(OC)cccc4nc2-3)C1 101668938 VCVBLHRPOREOMP-LBPRGKRZSA-N 354.410 2.851 0 1 FFAF COc1cc(OC)cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1 116674231 PJSDUMMPLUNUTJ-UHFFFAOYSA-N 356.382 2.806 0 1 FFAF COc1ccc(C[C@H](CO)C(=Cc2ccc3c(c2)OCO3)CO)cc1OC 2356653014 XUDZYVQTZDTQGU-MRXNPFEDSA-N 372.417 2.659 0 1 FFAF COc1ccc(CC(=O)CCCCCNC(=N)N)cc1Br 2356794213 LAPWTRYZKQIADH-UHFFFAOYSA-N 356.264 2.613 0 1 FFAF Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)nc1 71316555 LZPCNOBTYMMFFX-ZSOIEALJSA-N 369.402 2.731 0 1 FFAF CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2=O 14643693 HYKSEGAIZVBXBH-WOJBJXKFSA-N 372.373 2.826 0 1 FFAF biogenic CNC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40834805 JUSLYIYQOWZSPA-UHFFFAOYSA-N 362.368 2.539 0 1 FFAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 82212270 HFMBPRJXWBMSMY-CYBMUJFWSA-N 360.433 2.642 0 1 FFAF Cc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49088410 YJGLYWQVHGTPSD-UHFFFAOYSA-N 373.819 2.931 0 1 FFAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccccn1 82203542 DHCZSRMFNZVHFG-UHFFFAOYSA-N 352.486 2.857 0 1 FFAF O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 222427425 HTUPKTNEAWAZLK-ABHRYQDASA-N 354.454 2.654 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(C5=CCC=N5)n4)CCC3)cn2)cn1 96175480 JLKSFSZUOKILIC-UHFFFAOYSA-N 359.393 2.789 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(-c5cocn5)n4)CCC3)cn2)cn1 96175427 PAURORYQKIBXST-UHFFFAOYSA-N 361.365 2.629 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]2CO)[C@@H]13 473168003 JANQRZPKOJJOQL-LGWCBUJGSA-N 368.477 2.616 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CO)on2)N1 587793182 KDCUWUBYNATDFY-VXJOIVPMSA-N 355.207 2.866 0 1 FFAF Cn1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1O 587154657 GIPLSOFERIPXJJ-UHFFFAOYSA-N 351.210 2.857 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCNCC1)[C@@H](C2)C3=O 587445621 XASBKFNVSBSALC-KKSFZXQISA-N 350.418 2.594 0 1 FFAF Clc1cnc2[nH]c(-c3nccnc3I)nc2c1 587186331 HRSGZNAZOWZEOE-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF CCS(=O)(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 587795360 OBZNBZBPUUZBBN-UHFFFAOYSA-N 374.418 2.853 0 1 FFAF COc1ccc([C@@H](O)C2=C3C=C[C@@H]4C[C@@]3(OC2=O)[C@H]2CCCCN42)cc1 1772627100 INJZWOQLTXRIJA-QTRJSKNGSA-N 353.418 2.517 0 1 FFAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCOCC2)cc1 169324540 VVPNDDQSXWJROI-UHFFFAOYSA-N 369.446 2.608 0 1 FFAF NC(=O)c1ccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)cc1 205070592 HWYGUNZPOCDUSM-UHFFFAOYSA-N 361.405 2.635 0 1 FFAF COc1cccc(-n2cc(NC(=O)Cn3ccc(-c4ccccn4)n3)cn2)c1 1857640582 DHXIBDJOPXTANC-UHFFFAOYSA-N 374.404 2.778 0 1 FFAF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccccc1F)N(C)C2=O 4563245 WPMCPAWLVWCAPO-IAGOWNOFSA-N 359.353 2.838 0 1 FFAF CC(C)CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100643167 QSPUODWHQMJTCS-IUVQAAGXSA-N 361.463 2.619 0 1 FFAF O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(Br)cc1 103256301 RTEMRKZBFLLEEH-INIZCTEOSA-N 362.179 2.567 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@@H]2CC[C@H]1N2C 26723125 LDJPMOIHMAEPSX-RBDSIQFVSA-N 353.260 2.771 0 1 FFAF O=C1OC[C@@H]2Cc3cc4c(cc3[C@@H](c3cccc5c3OCO5)[C@H]12)OCO4 6092225 XRRZUOAMRCUMAH-UZCIPKQKSA-N 352.342 2.621 0 1 FFAF biogenic CN1CC(C(=O)NCc2cccc(-c3ccccc3Cl)c2)=C(O)C1=O 219158215 IPYLPAMJNJANPQ-UHFFFAOYSA-N 356.809 2.907 0 1 FFAF COc1ccc([C@@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195382760 VPOACCMJRTVHJX-PMPSAXMXSA-N 356.472 2.967 0 1 FFAF Cc1cc(NC(=O)c2ccc3cc4n(c3c2)CC2(CC2)CNC4=O)no1 147825608 VRFRVQKZQBYLFE-UHFFFAOYSA-N 350.378 2.714 0 1 FFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(F)cnc2[nH]1 587202167 GGOSKFQUYSNTOB-CYBMUJFWSA-N 358.329 2.539 0 1 FFAF N=c1[nH]c2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2c(Cl)[nH]1 587079004 FHOHDNKSXMKSHM-SECBINFHSA-N 362.224 2.748 0 1 FFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 587788070 ZVOPAHLMVNMFDG-CABCVRRESA-N 370.430 2.910 0 1 FFAF O=C(O)C/C=C1\Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 957725172 OMXOJBDTGWAWRB-REZTVBANSA-N 352.346 2.799 0 1 FFAF COc1cc2c(cc1OC)[C@@](CN)(c1ccccc1OC)N(C)[C@@H](C)C2 962618872 CLNPGTSHQCBPGW-LHSJRXKWSA-N 356.466 2.791 0 1 FFAF C[C@H](Oc1ccccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32)C(=O)O 963032764 SPUUZGCJCUMQTN-KQHSUYLTSA-N 366.417 2.681 0 1 FFAF CC[C@@H](O)COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599848 QIQCJKPIRPGNPJ-TZMCWYRMSA-N 369.425 2.990 0 1 FFAF CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(OC)c3)nc2n1 169711839 DRWFTIUSLYCJRC-UHFFFAOYSA-N 368.397 2.927 0 1 FFAF COc1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1OC 1857613085 QDCOPVCFLIGWME-UHFFFAOYSA-N 356.426 2.806 0 1 FFAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cncc(C)c4)cccn3[nH]1)C2 1857750529 LSUDCLLQEMZTFK-KRWDZBQOSA-N 373.464 2.707 0 1 FFAF C[C@@H](NCc1ccccc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857759613 UQJYTQSCNBWSLD-AUUYWEPGSA-N 358.392 2.622 0 1 FFAF Cc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@H]2CCCC[C@@H]2O)CC1 1846433 MFKCGXDCHAFQQZ-OALUTQOASA-N 373.541 2.942 0 1 FFAF in-man CCOc1ccc(S(=O)(=O)NCCCOC(C)C)c2cccnc12 2455823 WRFOPRVSXIUAMP-UHFFFAOYSA-N 352.456 2.727 0 1 FFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049362 MSLDEDBADXHBHG-QSFXBCCZSA-N 368.433 2.674 0 1 FFAF NC(=O)c1cc(S(=O)(=O)N(Cc2ccco2)C2CCCCC2)cs1 7006288 AONCPNMHGKVRDY-UHFFFAOYSA-N 368.480 2.964 0 1 FFAF CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 103108310 JZLJBDZTYASOTL-CYJAXWMASA-N 361.463 2.764 0 1 FFAF Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CC(=O)CCN2C3=O)n1 116945119 PZWVOMVNNUHTEA-OAHLLOKOSA-N 350.378 2.894 0 1 FFAF Cn1c(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26827055 HUUBJTGKPUQLQG-CYBMUJFWSA-N 354.391 2.655 0 1 FFAF COC(=O)[C@H]1[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]2CC[C@@H](C(=O)O)C[C@H]21 2356537857 JCCOBJRKWABIAX-GEIQVCANSA-N 366.454 2.892 0 1 FFAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](Cc2ccccn2)O3)S1 26968649 AMTQQJLWTMFLBO-NVXWUHKLSA-N 354.431 2.912 0 1 FFAF FC(F)(F)c1ccccc1-c1cncnc1NCCN1CCOCC1 33362343 XLXZOBOMQANMBA-UHFFFAOYSA-N 352.360 2.907 0 1 FFAF CCN(CC)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819142 YZYRCZXUVVHXJU-SFHVURJKSA-N 350.422 2.854 0 1 FFAF COc1c(O)c2c(c3c1[C@H](CO)OC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 14816269 VFAWCZCJUTVMRS-OABGYEMISA-N 374.433 2.814 0 1 FFAF biogenic Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2[nH]cnc2n1 218998526 ZLYAMDXCAPIWOC-UHFFFAOYSA-N 356.393 2.886 0 1 FFAF CCCCn1c(Cc2ccc(OC)c(OC)c2OC)nc2c(N)ncnc21 49037298 FVVMWKIJZDBLMN-UHFFFAOYSA-N 371.441 2.825 0 1 FFAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232557 KSUKSFRKNBVATP-OLZOCXBDSA-N 360.504 2.886 0 1 FFAF biogenic O=C1Nc2ccccc2-c2nnnn2[C@@H]1N1CCC(Cc2ccccc2)CC1 95568558 JLZAHUHNPQWIIH-NRFANRHFSA-N 374.448 2.746 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C/c1ccc(O)cc1)[C@H](O)CC2 238765099 KAYRJPGARKNUEX-BUOGGLDTSA-N 356.418 2.874 0 1 FFAF COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6ccc(OC)cc6N[C@@H]51)[C@@H]43)C2 238759732 GVHHWISFNJFBGN-RXRQOCSWSA-N 366.461 2.715 0 1 FFAF Cc1ncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587661277 VZAJVXKKZUXOBQ-UHFFFAOYSA-N 360.348 2.990 0 1 FFAF O=C(O)CCC[C@H](O)/C=C\C=C\CC[C@H](O)C/C=C\CCCCC(O)O 584879814 BZDHSIPNZCHPKA-SXRGNVKZSA-N 370.486 2.673 0 1 FFAF in-vitro N[C@@H](N=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228145 JMTDYEMUNHYMDF-KRWDZBQOSA-N 353.382 2.756 0 1 FFAF COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@@H]1C(=O)O)CC5 587211706 HVOWUXIIZZXGCZ-RVSPLBMKSA-N 366.417 2.905 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cnccn1)CC2=O 587490016 OAALJSPHPHRWCQ-HXUWFJFHSA-N 370.405 2.949 0 1 FFAF COc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1 205319900 KTRXVZFZSUBWRO-UHFFFAOYSA-N 350.378 2.526 0 1 FFAF CC(C)C[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1 207726890 LQDOUEAVEQDWAB-INIZCTEOSA-N 361.486 2.607 0 1 FFAF C[C@@H](Sc1ccccc1Cl)c1nc(N2CCN(C)CC2)[nH]c(=N)n1 1857576588 JEBSDCMUPMBUER-LLVKDONJSA-N 364.906 2.543 0 1 FFAF Cc1cccc2c(=O)c(OCc3nn[nH]n3)c(-c3ccc(F)cc3)oc12 1857595570 INOUXLYDLBHTBP-UHFFFAOYSA-N 352.325 3.000 0 1 FFAF c1ccc2c(c1)CC[C@@H](Cn1cnc(-c3cc(-c4nn[nH]n4)ccn3)c1)C2 225941309 BPQJRTYHBQULJV-CQSZACIVSA-N 357.421 2.930 0 1 FFAF CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccccn1 2457375 QDMANWBXMCTCCC-DYESRHJHSA-N 373.497 2.930 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)C[C@@]4(C[C@H]21)c1ccccc1N(C)[C@@H]34 2356333346 PRBYEVQYZLEFMG-FBXNVFHOSA-N 350.462 2.729 0 1 FFAF O=C(c1ccncc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3956246 UYEIDOYVPPSRBY-UHFFFAOYSA-N 350.466 2.995 0 1 FFAF COCCCn1c(N)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21 64527018 AMZVEZIEXWADNU-UHFFFAOYSA-N 368.437 2.594 0 1 FFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1cccc(F)c1 61898578 ANTIGVYTIZFXGY-HXUWFJFHSA-N 370.380 2.840 0 3 FFAF CC(C)CSC[C@@H](N)[C@H](O)C(=O)N(C)Cc1cccc2ccccc12 27996826 GQDZAWNAKAUAKZ-MOPGFXCFSA-N 360.523 2.876 0 1 FFAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](C2)N(C=O)CC4)OCO3 2356609486 BWRGZKJDIWERCZ-CQSZACIVSA-N 353.374 2.711 0 1 FFAF O=C([C@H]1CCCN(c2ccncc2)C1)N1CCN(c2ccc(F)cc2)CC1 33128840 PPBXERHBLGQSKB-KRWDZBQOSA-N 368.456 2.786 0 1 FFAF CCCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1 71294440 BJRWKMDBESJWCF-UHFFFAOYSA-N 358.471 2.592 0 1 FFAF O=C1C[C@@H](c2ccccc2)CCN1C[C@H](O)CN1CCc2ccccc2C1 221117738 JGLKMORHYGTOQD-RBBKRZOGSA-N 364.489 2.812 0 1 FFAF O=C1COc2ccc(NC(=O)NC[C@H]3COc4ccc(F)cc4C3)cc2N1 143408785 QSJNONJRQGPINU-NSHDSACASA-N 371.368 2.529 0 1 FFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1 144704329 JSYKEHXHVCQXML-SFHVURJKSA-N 363.335 2.530 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 95894815 OIEGYFAFDUVRDN-YTCPLROMSA-N 370.493 2.701 0 1 FFAF CC[C@H](O)/C=C\C=C/C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 231931454 AOPOCGPBAIARAV-VDXYJTBWSA-N 350.455 2.905 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 95798042 PTKQWCOSPHHWRV-ZVNRPYIZSA-N 362.473 2.891 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963673 QCPZAOQWUGLVOZ-CHWSQXEVSA-N 363.483 2.799 0 1 FFAF N=c1[nH]c(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cs1 587021050 HHTVHIRHKONBIQ-UHFFFAOYSA-N 360.406 2.742 0 1 FFAF CCOC(=O)[C@]1(c2csc(=N)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587536680 ZCFINSWMQUOKEM-LJQANCHMSA-N 372.446 2.858 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)[C@H](C)C2=O)N1 587763392 YHYWLFHMBSOSRO-LYGAQUJYSA-N 353.235 2.734 0 1 FFAF Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)cc3Cl)nc2n1 587368801 PBJLPOMRJYLOFG-UHFFFAOYSA-N 358.785 2.593 0 1 FFAF Cc1cc(Nc2nc(C(=O)N3CCOCC3)nc3ccc(Cl)cc23)n[nH]1 1772617418 REZJPRGFFAPIPT-UHFFFAOYSA-N 372.816 2.531 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(OC)cc3O)oc2c1 14436490 GNJVUACZJGJODM-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)OCc2ccccc2)ccc1O 169687898 IVEOSZPCRBACFH-QZTJIDSGSA-N 368.389 2.986 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 169714760 OWIREDZRBAQIRS-WBVHZDCISA-N 359.378 2.600 0 1 FFAF CC(C)[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857748519 XYXSWMHKNSFHGK-IMAQQZIHSA-N 373.541 2.525 0 1 FFAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]13O 2356366839 RJRXULCIAXWXHS-GOTQLEKGSA-N 366.505 2.940 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC 4152396 LTQHZLOFQMWPTR-LJHODMEESA-N 372.421 2.657 0 1 FFAF C[C@@H](CCc1ccccc1)NC[C@@H](O)c1cc(C(N)=O)c2[nH]ccc2c1 6020679 DEXHZSZLIVQAPC-IFXJQAMLSA-N 351.450 2.911 0 1 FFAF O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)cc3)ccc2O1 103262772 RKSHOEXQCPYLMC-UHFFFAOYSA-N 360.782 2.676 0 1 FFAF O=C1NC(=O)[C@@H](Cc2ccc(OC[C@@H]3COc4ccccc4O3)cc2)S1 28714374 BRJZNYVTUDTZFD-RHSMWYFYSA-N 371.414 2.800 0 1 FFAF CC[C@@H]1CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356496609 LSPIQIBHDWRLMO-SXJCZKEUSA-N 356.466 2.598 0 1 FFAF NC(=O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117629448 JSCUBNUNKHFKPC-BEFAXECRSA-N 360.417 2.606 0 1 FFAF CN(C(=O)CNC(=O)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 28130575 DQFWYJXDMRJLRG-HXUWFJFHSA-N 365.477 2.712 0 1 FFAF CN(C(=O)[C@@H](NC=O)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 28134484 CHVXTEQDNHHDKN-RTWAWAEBSA-N 365.477 2.769 0 1 FFAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)=CN1 2356875177 GWIWXCZDDFDMIY-KRWDZBQOSA-N 350.446 2.958 0 1 FFAF CCCNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459674 QVIMOCRSPDZYEW-KRWDZBQOSA-N 374.824 2.975 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1C 14437984 KIFCDDMQSNYCBK-UHFFFAOYSA-N 374.345 2.911 0 1 FFAF biogenic O=C(C1CCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95797289 VZZQLBIEWDIUMC-MAZHCROVSA-N 365.271 2.925 0 1 FFAF O=C(O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12 299832519 IEWTUUNJURMVEY-UHFFFAOYSA-N 353.313 2.834 0 1 FFAF Cc1ccc(-n2cnnc2SCc2nc3c(N)ncnc3[nH]2)cc1Cl 586968317 PZWBBGLWABDLEI-UHFFFAOYSA-N 372.845 2.770 0 1 FFAF Cc1ncc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1Br 586979010 FHWBWLAYWVACGU-UHFFFAOYSA-N 370.214 2.980 0 1 FFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 587932603 QSDFCCWTUYOLQP-KPZWWZAWSA-N 357.435 2.664 0 1 FFAF COC(=O)c1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cn1 586882522 WTMJDUGTOXAUOD-UHFFFAOYSA-N 351.362 2.673 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)cnc3[nH]2)cc1 587228445 MBVIRBOQQYOUGT-UHFFFAOYSA-N 353.382 2.765 0 1 FFAF Nc1ncnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 586999733 AWRXXLGMEJLYNI-UPHRSURJSA-N 374.198 2.639 0 1 FFAF CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416995 HRTFXPBTDWQNPV-MEBBXXQBSA-N 359.205 2.938 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587767384 YUEVVEAOXFHQFW-FVMDXXJSSA-N 368.250 2.709 0 1 FFAF COc1cc2c3c(c1)O[C@]1(c4ccoc4CC[C@@H]1CC(=O)O)[C@@H](C2)C3=O 587454978 HHVOWLGGWAVUHC-STYXZAMGSA-N 354.358 2.968 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cnn(C)c1)CC2=O 587475745 OPMLRYCCOHWNRS-LJQANCHMSA-N 358.394 2.804 0 1 FFAF Oc1nccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586968893 DPUHHQGMQOOUSG-UHFFFAOYSA-N 369.362 2.735 0 1 FFAF O=C(O)COc1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)cc1 1857573754 OONXXAYURBMZHT-UHFFFAOYSA-N 359.769 2.963 0 1 FFAF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccccc1)c1ccco1 100984326 XZMLWTGLERKORL-HOTGVXAUSA-N 374.462 2.784 0 1 FFAF CCc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823300 SIWLWJLKDAJXTH-HDICACEKSA-N 350.466 2.864 0 1 FFAF Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)cnc2[nH]1 29046188 SDISWWDGAUTYAI-SNVBAGLBSA-N 371.372 2.913 0 1 FFAF CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 29128865 UEFDPQIFYVNTDS-UHFFFAOYSA-N 372.402 2.703 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(CCOc2ccc(Cl)cc2)C1 61905691 PSHRSOPBLLGNHS-SFHVURJKSA-N 354.878 2.584 0 3 FFAF COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@@H](C2)N(C[C@H](C)O)CC3 2356523011 CPJQTONOKGWFSY-SMDDNHRTSA-N 371.433 2.618 0 1 FFAF CC=CC(=CC=C[C@@H](c1cc(NC(C)=O)c(OC)cc1O)[C@@H](C)O)CO 2356874237 YUAMXQIJNWAZMP-CZUORRHYSA-N 361.438 2.875 0 1 FFAF Oc1ccc(C2=C(c3ccc4c(c3)OCO4)[C@@H](O)[C@H]3CCCN3C2)cc1 14654232 NOTLGAMDIPCZJL-UTKZUKDTSA-N 351.402 2.871 0 1 FFAF biogenic CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1cccc(F)c1 40394559 SUOPMGJAOXTVDE-CYBMUJFWSA-N 364.377 2.614 0 1 FFAF O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085180 MLPYOBWVADBUMU-AWEZNQCLSA-N 371.418 2.917 0 1 FFAF COc1ccc(CNC(=O)/C=C/c2coc3cc(O)ccc3c2=O)cc1 95592023 VSRNWFWKSSWEEC-RUDMXATFSA-N 351.358 2.837 0 1 FFAF CN1CCN(c2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)CC1 586918115 JATCYOKMAZIBNB-IBGZPJMESA-N 350.422 2.827 0 1 FFAF CC[C@@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757762 HREXDKZEGHHDCO-RFAUZJTJSA-N 353.239 2.905 0 1 FFAF CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1 146872624 RQNWKCHEEKHWBJ-UHFFFAOYSA-N 353.407 2.763 0 1 FFAF c1ccc2c(c1)OC[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 586918163 KOSZBEDSGGGFKI-IBGZPJMESA-N 351.406 2.908 0 1 FFAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 587927836 YBKNCGKGPPZNIC-UHFFFAOYSA-N 360.435 2.965 0 1 FFAF CCNC(=O)COc1cc([C@H]2NCCc3ccc(F)c(C)c32)ccc1OC 962299604 OVVVGPMJAUNKHX-OAQYLSRUSA-N 372.440 2.893 0 1 FFAF COc1cc(C(=O)N[C@H](CO)c2ccccc2F)ccc1-c1cn[nH]c1 1772581641 YSVQULSJUHTXBG-QGZVFWFLSA-N 355.369 2.688 0 1 FFAF C[C@H](/N=c1\c(O)c(O)\c1=N/c1cncc(Br)c1)C(C)(C)C 13806327 PKMAANHPXVKISY-XPGYSUCRSA-N 352.232 2.699 0 1 FFAF C[C@@H](NC(=O)n1sc2ncccc2c1=O)c1ccc2c(c1)OCCO2 169711325 LJKOPLPVHJQRIM-SNVBAGLBSA-N 357.391 2.548 0 1 FFAF COc1cc(C)ccc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1 1857582872 CTEQXMJXYVCEFB-UHFFFAOYSA-N 366.527 2.889 0 1 FFAF CNS(=O)(=O)c1ccc(CN(C)C(=O)CCCCc2ccccc2)cc1 1857595918 PMSBBFRMOCYPAG-UHFFFAOYSA-N 374.506 2.966 0 1 FFAF Cc1cc(N2CCC[C@H](N)C2)n2nc(SCc3ccccc3)nc2n1 1857621122 QHJSGYFBXUWVGB-HNNXBMFYSA-N 354.483 2.653 0 1 FFAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@@]2(C)O 2356391724 AWUFGFYVINUPDN-SFOSTJBWSA-N 350.455 2.859 0 1 FFAF NC(=O)c1cc([C@H](O)[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 6093926 SFSYYHIAWBPIFK-DOMZBBRYSA-N 353.344 2.528 0 1 FFAF COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1N 58650657 AFEGRZNTEYWOCG-UHFFFAOYSA-N 370.409 2.610 0 1 FFAF CN(C)C(=O)Oc1ccc2c(CCO)c(Cc3ccccc3)c(=O)oc2c1 26487101 UAEMFRAVWZDVPK-UHFFFAOYSA-N 367.401 2.979 0 1 FFAF CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 21178301 RGGROWDBJCTKMG-UHFFFAOYSA-N 369.425 2.671 0 1 FFAF CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)cc1 20488195 HEHILAJPJBLUHX-UHFFFAOYSA-N 360.435 2.795 0 1 FFAF CCN1CCC[C@H]1CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27737266 GHCLSLLSNVLTGA-AWEZNQCLSA-N 372.465 2.653 0 1 FFAF C[C@@H]1C[C@]2(C)CC(C(=O)O)=CCC[C@@H]2[C@]1(CO)CCC(=CCO)CO 2356593401 JCWINCIZDNXUMA-FPWFTKFVSA-N 352.471 2.514 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@@](C)(O)[C@H]2CC[C@@]13O 2356594272 NOZRSQJXQYHBKF-OCDNZBLCSA-N 350.499 2.840 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCC[C@H](O)C4)ncc23)ccn1 219750390 MVQYPJSRJIWGSQ-KBPBESRZSA-N 366.425 2.753 0 1 FFAF COC(=O)C1=C(N2CCCCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC 34819623 LKDSIRXDWPTAGQ-LIRRHRJNSA-N 359.447 2.714 0 1 FFAF Cc1c(CC(=O)O)c2cccnc2n1[C@H](C)c1ccc(S(C)(=O)=O)cc1 38224738 HGOCBGDTYMERHN-GFCCVEGCSA-N 372.446 2.985 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)C[C@@H]3O 13384143 JOCWWTNEHQHRAA-ZFWWWQNUSA-N 357.406 2.661 0 1 FFAF biogenic COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc1OC 38544225 IATWXYMZKVGQLC-WXVIEYATSA-N 372.417 2.928 0 1 FFAF CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1 43196748 QEYZDQKYDMAJAJ-UHFFFAOYSA-N 369.490 2.626 0 1 FFAF CCOC(=O)Cc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231671 WXMNQPBCNFYGKD-CJNGLKHVSA-N 370.453 2.583 0 1 FFAF COc1ccc2c(c1O)C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 14442105 LWPLPJQNBQQUKR-PKOBYXMFSA-N 369.373 2.570 0 1 FFAF biogenic CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(CC)n1 82072847 FYAHSEXXJHKGMB-OAHLLOKOSA-N 367.515 2.633 0 1 FFAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@@H]4C3)n1)CCC[C@@H](c1ccccc1)C2 49088857 VJUGZSKEQACKNI-FUHIMQAGSA-N 363.509 2.910 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2 40374655 KPYLTXHXALSGPG-KVSKMBFKSA-N 356.466 2.718 0 1 FFAF O=C(NCCO)c1ccc(-c2cn3c(-c4cccs4)cnc3cn2)cc1 653755667 LXAAQIVAHSQOJP-UHFFFAOYSA-N 364.430 2.847 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1c(Br)cnn1C)[C@@H](C2)C3=O 587412913 KHJGHPHPOHUYSX-MGPLVRAMSA-N 363.211 2.854 0 1 FFAF CCC12CN3CCN(CC(C3)[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)C2 587521613 BUMRCMBNFRIFSC-JTPBLVHTSA-N 366.505 2.927 0 1 FFAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O 587400810 OYLRRJXMCOJUMV-FQEVSTJZSA-N 371.389 2.930 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccn(C)n1)CC2=O 587476828 REONZYMJXVBSOF-FQEVSTJZSA-N 372.421 2.892 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(=O)O)N1 587803304 OUSXBBPQBAOOIU-QTTZVWFDSA-N 354.179 2.633 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177156 ALINCXXCTOSEMZ-UHFFFAOYSA-N 362.386 2.611 0 1 FFAF C[C@]1(c2ccc3oc(N)nc3c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230907 QUHJDXPIFKCGJF-DYESRHJHSA-N 374.400 2.821 0 1 FFAF CC[C@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(=O)O 169622095 JQFGUBLRJFEKMI-NVAJEFPOSA-N 350.455 2.905 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356620139 GJDZRPOUHQJHNI-MAUKXSAKSA-N 356.401 2.706 0 1 FFAF Cn1c([Si](C)(C)C)c(C2=NC[C@]3(CN4CCC3CC4)O2)c2ccccc21 170194883 HEUINOGGWVVKAC-OAQYLSRUSA-N 367.569 2.965 0 1 FFAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC5(C)CC5)nc34)[nH]c21 222383190 QBCXALHYIBOFGV-SNVBAGLBSA-N 363.421 2.697 0 1 FFAF COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1 40422762 XGFRRYAZOMJDQL-UHFFFAOYSA-N 367.409 2.922 0 1 FFAF COc1ccc(CCNc2nc(N3CCCN(C)CC3)ncc2C)cc1 82202636 LYAXEWOKPINHPK-UHFFFAOYSA-N 355.486 2.590 0 1 FFAF CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(C)nc12 136942306 ZBYGVHNGZCTZNX-UHFFFAOYSA-N 358.409 2.564 0 1 FFAF CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 82085823 VFLVGONSRGXYQZ-UHFFFAOYSA-N 366.439 2.835 0 1 FFAF O=C(NC1CCCC1)c1ccc(CN2C(=O)N[C@@H]3CCCC[C@@H]3C2=O)cc1 618016595 HFVWRRPRVNDREN-ZWKOTPCHSA-N 369.465 2.970 0 1 FFAF C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2C[C@@H](OC(=O)[C@@H]2C)[C@](C)(O)CC[C@H]1O 85674289 DJTJNWAQRPIAEK-SKSNXLECSA-N 352.471 2.734 0 1 FFAF biogenic CCCCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586889111 JNSUOOZRYLKDOP-SECBINFHSA-N 371.231 2.882 0 1 FFAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N 587552308 PWAKUVMRHPZYLT-WBMJQRKESA-N 371.780 2.895 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620305 XXUIOSLKHZCLJC-VRHCTWJESA-N 372.398 2.629 0 1 FFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnn1-c1ccc(Cl)cn1 587368200 DXEFPFIHIOJYED-UHFFFAOYSA-N 354.757 2.646 0 1 FFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccnc2[nH]1 586945309 DECALHIPPMUIHV-UHFFFAOYSA-N 360.420 2.758 0 1 FFAF Cc1nc(=N)[nH]cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747043 OSVRVQMUJQPGAG-ZKANADHPSA-N 365.250 2.897 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCN(C)CC2)N1 587764962 HRTHMLLLEBATTM-SJKOYZFVSA-N 370.310 2.585 0 1 FFAF CCOC(=O)C[C@@]1(C[C@@H](O)c2ccccc2)NCCc2ccc(O)cc21 963341943 OVDJKAWWSAIDRI-TZIWHRDSSA-N 355.434 2.810 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1ccc(-n3ccnc3C)cc1)N[C@H](C(=O)O)C2 963489529 HNEFSDYFHIGYNA-PXNSSMCTSA-N 363.417 2.883 0 1 FFAF Cc1ccc(F)cc1[C@]1(C(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963025343 MHEMFGVCCGBKFJ-FKIZINRSSA-N 354.381 2.516 0 1 FFAF COc1ncccc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142007604 HUHNJZDIQNMLIE-GDBMZVCRSA-N 361.467 2.589 0 1 FFAF COc1ccc(-c2cnnc(NCc3nc(C)cc(C)n3)n2)cc1OC 12591254 VSEZUXCMDRTJKY-UHFFFAOYSA-N 352.398 2.575 0 1 FFAF O=C(NCc1ccccc1)c1nc2c(OC3CCNCC3)cccc2o1 1857537760 VWULBEJTYDFXCZ-UHFFFAOYSA-N 351.406 2.889 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc([C@](O)(c3ccccc3)C(F)(F)F)nn1)C2 100597527 IWEPPUGDWPKTDZ-JYYAWHABSA-N 366.387 2.874 0 1 FFAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCc1ccc(F)cc1 103535990 FXBUPGMKPNRZMH-UHFFFAOYSA-N 350.353 2.697 0 1 FFAF CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF 28245276 PBTYEWDVXMRWOG-HOTGVXAUSA-N 366.433 2.761 0 1 FFAF C[C@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@@H](C)N1CCC(=O)O 64373493 ZXFALDNPMLUADA-IYBDPMFKSA-N 366.465 2.612 0 1 FFAF N[C@@H](c1ccccc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 61930627 KXMLZYLDFUFORY-HNNXBMFYSA-N 360.464 2.582 0 3 FFAF COc1c(Br)cc(CCN)cc1I 2356790285 FKHSOMJAZVCPLR-UHFFFAOYSA-N 356.001 2.564 0 1 FFAF O=C1C2=C(CCCC2)S(=O)(=O)N1c1c(F)c(F)c(F)c(F)c1F 40379626 PRZSYGOCKORJBH-UHFFFAOYSA-N 353.268 2.887 0 1 FFAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2nnccc21 146519743 WWMREKOKVHDKDR-NSHDSACASA-N 357.719 2.941 0 1 FFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H](C)O)cn1 142003194 BMDAYGAAXYBZNV-CYBMUJFWSA-N 367.405 2.735 0 1 FFAF COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 238760930 HNPBJGUAULGPHG-RCBQFDQVSA-N 366.417 2.959 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 95894321 DWIQNYLYYQYBBV-DYXWJJEUSA-N 354.425 2.911 0 1 FFAF CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 238755538 YPVJSAYFTDREBJ-ISFDYMHLSA-N 362.466 2.960 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)C1=CC=N[C@H](N2CCCCC2)C1 261186060 XLIWANCJXZCUII-RBUKOAKNSA-N 369.465 2.840 0 1 FFAF COC(=O)CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 473135728 UAFKHKMLMDSULZ-IBGZPJMESA-N 368.389 2.935 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587850851 SRLHESCYSYKOQM-YMTOWFKASA-N 364.280 2.772 0 1 FFAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586915337 CYQFIDMHAYAUCD-DYZYQPBXSA-N 357.801 2.587 0 1 FFAF CN[C@H](c1cccnc1)c1nc2cccc(I)c2[nH]1 587220435 BQPTUCNTDNXEQG-GFCCVEGCSA-N 364.190 2.871 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O 587453992 QPOICWOBFQLTCN-RNODOKPDSA-N 350.326 2.699 0 1 FFAF COC1(OC)CCOC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836878 YJHSWKNPWTVHJE-BONVTDFDSA-N 374.250 2.727 0 1 FFAF O=C(O)CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1 587210881 YAQLVGSJABQMIQ-UHFFFAOYSA-N 371.389 2.998 0 1 FFAF COCCCC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 15073646 YPARERXHXVIBJN-QGZVFWFLSA-N 350.503 2.833 0 3 FFAF O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2CCc1ccc(Br)cc1 169295736 MYVMDLNNVMLPQJ-KMOFNUPMSA-N 358.279 2.752 0 1 FFAF Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)no1 2720471 SGPDNXJSGDOXFV-UHFFFAOYSA-N 374.378 2.535 0 3 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356372165 ZKKZNKBDLLISQC-NVXWUHKLSA-N 356.401 2.706 0 1 FFAF CCCC(=O)Nc1cccc([C@]2(C3CCCCC3)N=C(N)N(C)C2=O)c1 45349089 AQMDTMDYMXRAFN-FQEVSTJZSA-N 356.470 2.988 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1CCN1CCc2ccccc21 2356828625 IJHMJOPMAYTVHD-ZWKOTPCHSA-N 356.466 2.789 0 1 FFAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@H](O)[C@]2(C)O)[C@]1(C)CC(=O)c1ccoc1 2356873450 YGVSZJJKFQFKBE-BTDHYDEWSA-N 350.455 2.788 0 1 FFAF COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4 2024041 ZRBGFWOXAQPDTH-FQEVSTJZSA-N 353.374 2.793 0 1 FFAF biogenic Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]12 74379265 PNOUVGWTPBUHMV-QAPCUYQASA-N 350.374 2.599 0 3 FFAF CCc1ccc(Cc2cc([C@@H]3OC4(CC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 49088345 LVXRZEAKFCKSGM-CZYKHXBRSA-N 368.473 2.835 0 1 FFAF O=C(NCC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 144764709 FWTUJSPGGAHOLP-LBPRGKRZSA-N 355.467 2.806 0 1 FFAF C[C@@H]1[C@H]2C[C@]34CO[C@H](O2)[C@]1(C[C@H](O)c1ccoc1)[C@H]3CCC=C4C(=O)O 238749900 NQGDTWVXUYEVGZ-HHMAEZTKSA-N 360.406 2.892 0 1 FFAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 95794221 UYIMSXLQNLUOCG-VQTJNVASSA-N 370.880 2.901 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCOCC2)N1 587769698 ZKZPZLDMJBBINY-MEDUHNTESA-N 357.267 2.670 0 1 FFAF N=c1[nH]cc2nc(COc3ccc(Cl)cc3Br)nc-2[nH]1 586976356 OPKMFIVEMAVNQA-UHFFFAOYSA-N 354.595 2.712 0 1 FFAF COCCOCCCc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587559059 FFLNZGLNRVDBBH-UHFFFAOYSA-N 355.394 2.699 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2c(Cl)cncc2[nH]1)C(F)(F)F 587126492 BWRZSHUTIMOLBO-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1nc[nH]n1)[C@@H](C2)C3=O 587428524 NUFOIFWKAQDMLS-IFXJQAMLSA-N 351.337 2.644 0 1 FFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(C(N)=O)c3[nH]2)cs1 587014101 KNJNGVRCMFUZHX-UHFFFAOYSA-N 373.438 2.810 0 1 FFAF CCOC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800433 WZHSFVNRVGPLIE-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCNC4=O)cc1)[C@@H](C2)C3=O 587442985 KGQQZBYJLAPKOB-KKSFZXQISA-N 364.401 2.888 0 1 FFAF CCn1nccc1[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697111 LBDAIJUKCFXCQR-XJKSGUPXSA-N 371.334 2.923 0 1 FFAF CC[C@](O)(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 13730909 YYTBMHOKZFPJNJ-FQEVSTJZSA-N 358.461 2.816 0 1 FFAF Cc1nc(O)c2c(CO)nn([C@@H](C)c3ccc(C(F)(F)F)cc3)c2n1 1857754033 WOPONWMJGIDXSF-QMMMGPOBSA-N 352.316 2.961 0 1 FFAF CC(C)NC(=O)N1[C@@H]2CN(C)C[C@H]1[C@@H]2c1ccc(Br)cc1 100082929 ARRCZHSVRQJLTD-QDMKHBRRSA-N 352.276 2.649 0 1 FFAF C[C@@H](CC(=O)O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356719226 RFCUQENFPAOEMH-JTQLQIEISA-N 352.390 2.984 0 1 FFAF O=C1C[C@H](O)[C@]2(Oc3cccc4c(O)ccc(c34)O2)c2c(O)ccc(O)c21 2356721623 KGZLWNLQQVXESZ-OXJNMPFZSA-N 366.325 2.528 0 1 FFAF N[C@@](CCc1ccccc1Oc1ccccc1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27210944 HQEJSOMODQBQGB-RZQQEMMASA-N 355.390 2.914 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@H]1CCCCCCC(=O)O 2356831841 JSDWWNLTJCCSAV-JAYZULETSA-N 372.502 2.993 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)co2)cc1 82070300 XLAJDJBWNCRLSM-KRWDZBQOSA-N 373.453 2.509 0 1 FFAF Cc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@H]2CCCC[C@H]2O)CC1 95564687 MFKCGXDCHAFQQZ-RBUKOAKNSA-N 373.541 2.942 0 1 FFAF in-man Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)CN(C)C)cn3)ccc12 98083844 YHMDBYRJGABSSK-UHFFFAOYSA-N 353.378 2.789 0 1 FFAF O=C(NCCO)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148166959 NWJQLGLLDBVYRV-UHFFFAOYSA-N 350.378 2.735 0 1 FFAF CN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O 95565085 FUHDHLZCYVIRFS-NSHDSACASA-N 350.633 2.629 0 1 FFAF CS(=O)(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530826 HSBSDSMZXFIXTA-HXUWFJFHSA-N 371.458 2.866 0 1 FFAF CC(C)COc1cc2nc(COCC(=O)O)[nH]c2cc1Br 587563186 OQHUHOREUIZIOX-UHFFFAOYSA-N 357.204 2.961 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)nc(S)n2)N1 587842510 FZGRNCYFTCHGCS-CAAJLBCPSA-N 370.247 2.996 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cnc3[nH]2)CCC(O)CC1 587237557 TURYXUNUHRIWPD-UHFFFAOYSA-N 350.394 2.752 0 1 FFAF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 587259895 OBWRRLAVRGLFSB-ZDUSSCGKSA-N 373.254 2.975 0 1 FFAF O=C1COc2cc3[nH]c(Cn4cc(-c5ccc(F)cc5)cn4)nc3cc2N1 587165009 INAFJUKNLLJSGJ-UHFFFAOYSA-N 363.352 2.945 0 1 FFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586892463 SRIRVMQMOHKYMG-ACJLOTCBSA-N 373.478 2.959 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccccc1OCC(=O)O 963614814 YXQKRSCTHSQTJS-ODXCJYRJSA-N 357.406 2.791 0 1 FFAF N[C@@](CCc1ccccc1)(C(=O)O)[C@H]1[C@H](CCc2ccccc2)[C@@H]1C(=O)O 13912555 WYNOTJGERCNHTF-MDPIYQRISA-N 367.445 2.981 0 1 FFAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2N(C)c3ccccc3C(=O)N12 15211787 TUAAYLWJEAHTQV-PKOBYXMFSA-N 361.401 2.856 0 1 FFAF biogenic O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C[C@@H]2CCCO2)CC1 168070815 OBHHADQHNNIJDH-HNNXBMFYSA-N 373.482 2.534 0 1 FFAF O=c1cc(N2CCOCC2)[nH]c2c(-c3cn(-c4ccccc4)nn3)cccc12 204312957 LIKVTBSQJUWEOC-UHFFFAOYSA-N 373.416 2.612 0 1 FFAF O=C1C(=O)N(CCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21 1857654261 KGAWSUQYKWFRFK-UHFFFAOYSA-N 362.385 2.616 0 1 FFAF CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F 1856265 WUWDHQPLLZPRAK-CYBMUJFWSA-N 354.275 2.725 0 1 FFAF Nc1c(Cl)cc2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)C2=O 3795341 BEQOAESAWXOIEI-OAHLLOKOSA-N 355.825 2.766 0 1 FFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1[nH]cnc1Cl 103169344 NUMXDMNWFHYYJP-LBPRGKRZSA-N 367.833 2.813 0 1 FFAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 104440184 YAIXJKZQJNOCPD-TVKQPGBESA-N 374.868 2.538 0 1 FFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2 33744856 IBOZZWGMZPMXBO-YIYPIFLZSA-N 371.218 2.688 0 1 FFAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2)c1 61926045 HUFJCZXXWKUJCQ-OAQYLSRUSA-N 368.433 2.876 0 3 FFAF CCCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272145 JLPQWCJOYFLTTI-OAHLLOKOSA-N 352.822 2.845 0 1 FFAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(F)(CO)CC4)c23)c1 224879489 NZMIMYYOIMLCGU-UHFFFAOYSA-N 351.385 2.797 0 1 FFAF CC[C@]12CCC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 14620284 OQLYVMALDCKIQD-ACRUOGEOSA-N 352.434 2.972 0 1 FFAF biogenic COc1ccc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1O 14760201 PRIGOKTXLDIGNF-HUUCEWRRSA-N 358.390 2.689 0 1 FFAF biogenic CC(C)CN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82150937 BRTGJLBPYKNXFW-UHFFFAOYSA-N 372.444 2.847 0 1 FFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](F)c2cc3ccccc3nc2-1 40393048 LAFCFALJAUPGOM-XLIONFOSSA-N 366.348 2.548 0 1 FFAF Cc1nn(-c2ccccc2)c2cc(N3CCN([C@H]4CCNC4)CC3)ccc12 147352443 DZGKAQBKKRYKFX-FQEVSTJZSA-N 361.493 2.818 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@H]1CC=C[C@H]32 96933108 HKBMNOPNVQFUSG-AAMISZCHSA-N 358.390 2.534 0 1 FFAF COC(=O)c1ccccc1-n1c([C@@H]2CCC(=N)N2)nc2ccccc2c1=O 238767753 YRDOREWIUUVFFE-HNNXBMFYSA-N 362.389 2.574 0 1 FFAF C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661994 OEBXSARLGHODSC-RHSMWYFYSA-N 362.470 2.952 0 1 FFAF C[C@H]1CCCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)C1 247907759 KJCWKGGMKKAAJS-SNRMKQJTSA-N 360.473 2.899 0 3 FFAF CC(C)Cc1ccc([C@H](C)C(=O)OCON[N+](=O)N2CCCC2)cc1 377790561 CQFYIXXJIZQXPJ-HNNXBMFYSA-N 350.439 2.715 0 1 FFAF CC(C)=CCC/C(C)=C/CNC(=O)CN1[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@H]6[C@@]1(O)[C@H]53 299814801 FYWWGPDOGSIHKV-CKBKYOROSA-N 368.521 2.556 0 1 FFAF COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1N 473128371 ZGCVIOKBSBFQDN-GFCCVEGCSA-N 373.405 2.737 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)O2 587396800 WGIILUHDLOHZLZ-QVKFZJNVSA-N 372.465 2.863 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587041434 FSCLXLLWLXQPPA-GFCCVEGCSA-N 360.439 2.514 0 1 FFAF O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@@H]2ON3CCCC[C@H]3[C@H]12 5850119 NEGRAHAFWROCCX-DZOHQFGASA-N 361.463 2.648 0 1 FFAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)C3CCOCC3)C2)cc1OC 12003384 CZSUJFFIYBRMOZ-INIZCTEOSA-N 361.438 2.552 0 3 FFAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)O)[C@H]1c1cccc(-n2ccnc2)c1 169714429 MQZFRYWEHQLENT-FUHWJXTLSA-N 367.405 2.968 0 1 FFAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2c1NON2 169729111 SUTDNAJEGAQKHN-HOCLYGCPSA-N 373.409 2.944 0 1 FFAF COc1ccc(OC)c(C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1 2648167 PQIKVOWHJFIHBI-STQMWFEESA-N 360.406 2.825 0 1 FFAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4050145 YZGQSIRIZMSKEX-VUHPKUFZSA-N 354.406 2.791 0 1 FFAF Cn1cc(CN2CCOC[C@@H](Oc3ccc(C(F)(F)F)cc3)C2)cn1 2356300998 QEJGAXLGXSJPHW-INIZCTEOSA-N 355.360 2.719 0 1 FFAF C[C@H](NC(=O)Cc1ccccc1)c1onc(-c2cccnc2)c1C(=O)O 2356308370 PFILXEIUXYPBFO-LBPRGKRZSA-N 351.362 2.855 0 1 FFAF CCOC(=O)Cn1cnc2c(SCc3ccccc3F)nc(O)nc21 28103120 SCFYMBADSXPDES-UHFFFAOYSA-N 362.386 2.526 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4F)C[C@@H]3C2)n1 116826309 PZTVGKKEEBDOLR-ZIAGYGMSSA-N 358.392 2.580 0 1 FFAF CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 26383794 CSZKNYBZEVPEJZ-HNNXBMFYSA-N 358.438 2.617 0 1 FFAF C[C@@]1(CO)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2)CO3)O1 2356397533 ONCSDMGQHWYRHA-XOBRGWDASA-N 354.358 2.613 0 1 FFAF C[C@@H]1[C@H](O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H]1C)OCO3 2356454847 ZINGKVZTZNKXIN-LTWWGWNUSA-N 356.374 2.699 0 1 FFAF COC(=O)[C@]12C[C@H](O)CC[C@@H]1CN1CCc3c([nH]c4ccccc34)[C@H]1C2 2356695357 DJYUVQHOELNJST-PHAJSTNCSA-N 354.450 2.791 0 1 FFAF COc1ccc(C[C@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1O 2356837569 LKVJCXLZBZBWSA-AWEZNQCLSA-N 371.389 2.599 0 1 FFAF COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@H]3CC(C)C 61921414 HAEXEZXDQCJGJG-INIZCTEOSA-N 364.405 2.620 0 3 FFAF CN1CCN(CCC(=O)N2Cc3ccccc3CCc3ccccc32)CC1 45388001 XEDGMCPHECETLX-UHFFFAOYSA-N 363.505 2.956 0 1 FFAF CN(C)CCN(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 49089444 WUIPOKWUCKPSLZ-UHFFFAOYSA-N 373.460 2.935 0 1 FFAF Cn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220359554 CESXVLQJLJLUOM-MRXNPFEDSA-N 372.787 2.661 0 1 FFAF COc1ccc(CN2C(=O)N3Cc4ccc(C)cc4[C@H]3CS2(=O)=O)cc1 96020177 UOGYFSUMGFTMKU-GOSISDBHSA-N 372.446 2.826 0 3 FFAF N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccc(-c2cccnc2)cc1 98207745 WMWFJAPKMZNXGW-VABKMULXSA-N 361.489 2.939 0 1 FFAF in-vitro CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95667820 CXGOZFXOFMCAPH-NNMXDRDESA-N 370.493 2.845 0 1 FFAF Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(N2CCCC2)nc1 141753619 YHVRWWGZGGPZLR-UHFFFAOYSA-N 364.453 2.537 0 1 FFAF C[C@@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C(=O)O)[C@@H]3CC[C@]12O[C@@]3(C)O 255211935 GFOKWOWCJVGEQX-BFXOAFAXSA-N 362.466 2.852 0 1 FFAF CC[C@@H](OC(=O)[C@H]1CC[C@H](CN)CC1)OC(=O)[C@H]1CC[C@](C)(CN)CC1 299846603 VNBBYTULXILRAM-LLYLOPHFSA-N 368.518 2.729 0 1 FFAF O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](Cn2ccnc2)C1 653888057 QCXBBMJAJFMQPJ-LBPRGKRZSA-N 357.838 2.777 0 1 FFAF O=C1NCCN1CCOc1nn(-c2ccc(F)cc2)c2ccc(F)cc12 653848803 XFZQCFOFMUMDFX-UHFFFAOYSA-N 358.348 2.708 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1 587924281 PPJRTJJCDFUMTK-UHFFFAOYSA-N 367.477 2.935 0 1 FFAF Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)C(=O)CCC2 586903818 OXYABNJGMXHJND-UHFFFAOYSA-N 373.434 2.901 0 1 FFAF CCn1cc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587431353 JZSKHAOLWDQPAV-BGJVTSJYSA-N 353.422 2.630 0 1 FFAF COc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 587094915 WIWAGEIQQRQEGS-ZDUSSCGKSA-N 358.345 2.724 0 1 FFAF COc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(OC)c1O 587785297 KUYSWMCSMFPPHW-UHFFFAOYSA-N 368.437 2.705 0 1 FFAF Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587027798 HCEBCZMNDCMUPF-UHFFFAOYSA-N 359.436 2.637 0 1 FFAF CCN1C=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 587775470 SSXWGDIILPMRPW-QLJPJBMISA-N 352.251 2.967 0 1 FFAF O=C([C@@H]1Cc2ccccc2[C@@H](c2[nH]nc3ncc(F)cc23)N1)C(F)(F)F 962758995 AAGFRILRGRCPMA-STQMWFEESA-N 364.302 2.832 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CN2CCNCC2)(c2ccco2)N1 962957758 ZIFONELGPWPEMY-AOMKIAJQSA-N 364.493 2.834 0 1 FFAF CCOC(=O)c1c(-n2c(N)c(C#N)c(C)cc2=O)sc2c1CCCC2 205240087 YCVOHMPSRUZFKP-UHFFFAOYSA-N 357.435 2.717 0 1 FFAF N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCO4)c3O)nc2cc1F 13444372 YLUBBMAMBPRAKF-SNVBAGLBSA-N 370.384 2.916 0 1 FFAF CCc1cc(CNC(=O)CCc2nnc(Cc3cccc(C)c3)o2)on1 13595539 QEFVVOXLUWMQJF-UHFFFAOYSA-N 354.410 2.768 0 3 FFAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@H](O)[C@@H]2O 1857609343 ZLHLDGJZCGZUPE-CRAIPNDOSA-N 362.422 2.980 0 1 FFAF CC1=C(C)CN(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857749123 OEMNDEYKLZLQKO-NHCUHLMSSA-N 371.525 2.589 0 1 FFAF CCCCc1ccc2c(c1)nc(NC(=O)OC)n2COP(=O)(O)O 29134725 OQUVGDWOSSDPRJ-UHFFFAOYSA-N 357.303 2.624 0 1 FFAF CN1[C@H]2CC[C@@H]1CC(OC(=O)n1c(=O)[nH]c3cc(C(F)(F)F)ccc31)C2 26185787 KDOHMAAVWRYCES-FOSCPWQOSA-N 369.343 2.958 0 1 FFAF O=c1ccc2cc(OC[C@@H](O)CNCc3ccc(Cl)cc3)ccc2[nH]1 27183586 SWXMNPKNSIWNMZ-INIZCTEOSA-N 358.825 2.711 0 1 FFAF CCCCOC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@H](C)O 2356710275 WWWKWKCNXDSZKV-OYSTVDSJSA-N 364.523 2.804 0 1 FFAF CC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)c(C)c1 61924248 GPCXJYKQVOMZFA-UHFFFAOYSA-N 365.389 2.957 0 3 FFAF O=c1[nH]nc(-c2cc(Br)c(O)cc2O)n1-c1ccccc1F 38267365 WTHWBOWCSOCLLT-UHFFFAOYSA-N 366.146 2.540 0 1 FFAF CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 73165591 NMBOQCDQTOCORB-UHFFFAOYSA-N 364.354 2.541 0 1 FFAF O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccc(O)c5)nn34)cccc12 73165727 ZIBNQGIKJJJILW-UHFFFAOYSA-N 369.384 2.929 0 1 FFAF O=C(Cc1ccc(O[N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1 1911584706 LDGOGNWRWXTDHT-UHFFFAOYSA-N 369.421 2.580 0 1 FFAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 14829309 BQGJXFQCMYJENQ-JBACZVJFSA-N 352.434 2.729 0 1 FFAF biogenic Cc1ccc(OC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CCO2)cn1 40762496 JQPBGRKMTKYABC-XUVXKRRUSA-N 352.434 2.800 0 1 FFAF NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143359241 UYRJVXFLOTWSEY-GOSISDBHSA-N 373.334 2.814 0 1 FFAF Cc1cc(C(F)(F)F)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 91665363 PKNOZVJWJHSAFE-UHFFFAOYSA-N 371.403 2.610 0 1 FFAF C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC(C)(C)CO 653725545 GBVNBSORGOMGLF-KBXCAEBGSA-N 352.434 2.832 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587428066 MZSRDVBFJLSUGD-RBZFPXEDSA-N 368.316 2.838 0 1 FFAF C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587963401 VIDKAQKLYOEHJR-MRVPVSSYSA-N 364.345 2.900 0 1 FFAF O=C1NC(=O)[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 587106696 NIQGFOWODVVPKU-JOCHJYFZSA-N 369.380 2.513 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2n1 587784825 JVWXYLOYFMJHEW-OLZOCXBDSA-N 351.362 2.688 0 1 FFAF COc1cc([C@@]2(C)NCCc3nc4ccccn4c32)cc(OC)c1OC 962987211 VDCZBXVJACZJJW-HXUWFJFHSA-N 353.422 2.769 0 1 FFAF Cc1cccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)n1 168077994 LRMHBIRJMXAPDF-UHFFFAOYSA-N 366.396 2.961 0 1 FFAF O=C(NCCN1CCCC1)c1ccc(OC2CCN(C3CCC3)CC2)cc1 1857597324 NULNNJOVONNJQG-UHFFFAOYSA-N 371.525 2.908 0 1 FFAF O=C(NCc1ccccn1)N1CCN(c2cncnc2-c2ccccc2)CC1 1857606407 HGQTYZJKKTVJJB-UHFFFAOYSA-N 374.448 2.570 0 1 FFAF Cc1ccc2nc3n(c2c1)[C@H](CNC(=O)c1ccc2c(c1)OCO2)COC3 2356301634 CEXXSUAAJKCINF-CQSZACIVSA-N 365.389 2.575 0 1 FFAF COc1cc(OC)c([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1OC 4104065 RVSYJYUMWHPOMR-QZTJIDSGSA-N 371.389 2.708 0 3 FFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NC1CC1 4668376 HICQPBBZASHXCK-HSZRJFAPSA-N 352.843 2.831 0 3 FFAF CCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29313871 BAWMIINTIRZVQC-UHFFFAOYSA-N 351.414 2.669 0 1 FFAF CCOC(=O)CCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1 66262995 QRWAUTZUKGDJQZ-UHFFFAOYSA-N 371.481 2.953 0 1 FFAF COc1c(O)c2c(c(OC)c1OC)O[C@@H](c1ccccc1)[C@H](OC)C2=O 2356605823 SNDDQHPBNHSNNS-GOEBONIOSA-N 360.362 2.749 0 1 FFAF COC[C@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@@H]1C)C[C@@H](O)[C@@H]2C 2356678471 IGUFYHFJOVSYRH-SMFNOFBCSA-N 350.499 2.680 0 1 FFAF COc1cc2c(cc1OC)[C@H]1C=c3cc(OC)c(OC)cc3=C(C)N1C=C2 2356836982 LFUIJTVMFIHGSB-GOSISDBHSA-N 365.429 2.671 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@H](C2)NCC3 4026254 YXVHYWZQBZJWHC-ZDUSSCGKSA-N 357.406 2.837 0 1 FFAF biogenic COc1ccc2c(c1O)-c1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3 14639564 ZLDNXEZNXWTKLG-LBPRGKRZSA-N 357.406 2.876 0 1 FFAF biogenic Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 218887337 QOVQUHJNZUKYBJ-LLVKDONJSA-N 354.439 2.630 0 1 FFAF CN(CCN1CCCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 40949861 HJTZMXVGRJSRFE-UHFFFAOYSA-N 364.921 3.000 0 1 FFAF Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O 84604998 WFRNKIOQSRRDQF-UHFFFAOYSA-N 353.430 2.903 0 1 FFAF Cn1cc2cc(-c3ccc4c(c3)[C@]3(COC(N)=N3)C3(CC3)CO4)ccc2n1 149419474 LYIYOHNNHUSMFQ-OAQYLSRUSA-N 360.417 2.953 0 1 FFAF COc1cc(O)cc(-c2cc(=O)c3cc(N4CCOCC4)ccc3[nH]2)c1 96913343 KPUKZFRPOWQVNO-UHFFFAOYSA-N 352.390 2.746 0 1 FFAF O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)Nc1ccccc1 96934396 MCFQLCJARZBGNN-UHFFFAOYSA-N 359.179 2.617 0 1 FFAF COc1c2c3c(c(OC)c1OC)-c1c(ccc4c1OCO4)C[C@@H]3NCC2 85994931 ZBUCGSKDQQBWOS-LBPRGKRZSA-N 355.390 2.851 0 1 FFAF biogenic C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccnc(Br)c2[nH]1 586961806 LYIULTJUAKFJAR-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc(C)nc1 587867869 POLZDUHOVKOSTA-UHFFFAOYSA-N 363.299 2.759 0 1 FFAF CC[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598459 XTSPTYSXWINZPB-GIJMVEMTSA-N 353.374 2.639 0 1 FFAF COc1ccc(-c2nc3ccnc(O)c3[nH]2)c(I)c1 587180070 KLZOJYCSQQDSTB-UHFFFAOYSA-N 367.146 2.944 0 1 FFAF COC(=O)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n2ccccc12 587393723 KQPQHAPVBOXAJD-HNNXBMFYSA-N 351.362 2.718 0 1 FFAF C[C@]1(CC(=O)Nc2ccccc2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908330 VFZYFYOWZBFNRY-QFBILLFUSA-N 360.360 2.808 0 1 FFAF O=S(=O)(Nc1ncc(Cl)cc1O)c1ccc(C(F)(F)F)nc1 222997879 PJSZWNBBUBSERA-UHFFFAOYSA-N 353.709 2.655 0 1 FFAF NCc1cccc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 116816148 VOAAOCWLJBGRLO-FNORWQNLSA-N 352.434 2.976 0 1 FFAF NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3ccccn3)C[C@H]2CS1 169711623 GWHRFBLVWFXSNN-KSMMKXTCSA-N 373.453 2.962 0 1 FFAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 201035300 QVGAECMHUSHDCG-HOCLYGCPSA-N 371.393 2.796 0 1 FFAF Cc1ccc2nc(-c3nccn3C)cc(C(=O)N[C@@H](C)CN(C)C)c2c1 1857670 UFEFOKVSSLYKCY-AWEZNQCLSA-N 351.454 2.624 0 1 FFAF COc1ccc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cc1OC 4967634 IJCPCBIGWHLEEZ-UHFFFAOYSA-N 359.397 2.967 0 3 FFAF COC(=O)c1nnc(C(=O)NCc2ccccc2)c2[nH]c3ccccc3c12 8682171 PPDJLQMDGZHJRP-UHFFFAOYSA-N 360.373 2.828 0 1 FFAF Nc1cc(O)c([C@@]2(O)C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 29313757 HTWJDYDVPZQGAQ-CQSZACIVSA-N 358.703 2.835 0 1 FFAF CC1(C)CCC[C@]23[C@H](CCC4=CC(=O)O[C@@H]4O)[C@](C)(CC[C@H]12)O[C@H]3O 2356807423 WINVMGUEZGASDH-AYKKCKCASA-N 350.455 2.898 0 1 FFAF CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@@H]1C 35996443 QJUKURZOKSVYNB-QMYRPDPQSA-N 366.454 2.691 0 1 FFAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)OCc1cc(=O)c(O)co1)O2 73199381 FUBKHVQDEQOIQV-FQEVSTJZSA-N 374.389 2.803 0 1 FFAF COc1ccc2c(c1)[C@](C)(O)C1=NCCc3c(OC)c(OC)c(O)c-2c31 15265679 QALBONCPKSJOHU-FQEVSTJZSA-N 355.390 2.651 0 1 FFAF biogenic NC(=O)[C@@]1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1 73222540 VIXIHNMGNDQBFH-LJQANCHMSA-N 374.824 2.816 0 1 FFAF O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2cccc(F)c2)CCCN1 49115657 SSJOVOMSMARZBB-NRFANRHFSA-N 359.489 2.577 0 1 FFAF O=C1C[C@@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 40862138 GQRXUEXACDINRE-CQSZACIVSA-N 356.397 2.622 0 1 FFAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95874734 XYCHWFJUQDPBHN-YPAWHYETSA-N 365.477 2.520 0 1 FFAF Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2CC(=O)CC(C)(C)O 238786819 ALRKYRPHRIVAMM-HLUHBDAQSA-N 366.410 2.788 0 1 FFAF C/C(=C\Cc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O)CO 95552511 GGNFRQNGJUKIKW-WTDSWWLTSA-N 370.357 2.764 0 1 FFAF CC/N=c1\c(NS(=O)(=O)c2ccc(F)cc2)c(O)oc2ccccc12 617997498 NRQZTUVZKOBHGW-CYVLTUHYSA-N 362.382 2.999 0 1 FFAF COc1ccc2c(c1)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1 299862015 JAJKMVMCPBFTPX-UHFFFAOYSA-N 356.378 2.511 0 1 FFAF COc1cc2c3c(c1)O[C@](Cn1cccnc1=O)(c1ccccc1)[C@@H](C2)C3=O 587442293 ICFKTAYJQNBHGA-HTAPYJJXSA-N 374.396 2.595 0 1 FFAF COC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587041943 QJHIUZFTEIGTPE-CABCVRRESA-N 354.435 2.691 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)nc(S)n1 587613069 MNRFYWRQCLZCLR-RHSMWYFYSA-N 368.370 2.879 0 1 FFAF O=C(Nc1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1)c1ccc(F)cc1 587163236 JIZGISNCJSZSIS-UHFFFAOYSA-N 365.324 2.823 0 1 FFAF O=[S@@](Cc1nc2cccc(I)c2[nH]1)CC1CC1 586958881 JTQHUGHVBBFGSH-QGZVFWFLSA-N 360.220 2.826 0 1 FFAF Cc1ccn2c(C)c([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)nc2c1 962909056 VVQMFFKPNDZBSH-OXJNMPFZSA-N 353.397 2.953 0 1 FFAF CN1CCc2cn(C)nc2[C@]12C[C@@H]1C[C@H]2[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 963954524 LLCAUPRARUFYBC-PLCHWVDCSA-N 372.513 2.626 0 1 FFAF NC[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 1772618911 MXGBOQFBQSHJCL-AWEZNQCLSA-N 363.421 2.757 0 1 FFAF COCCCCn1c(=O)cc(NCc2ccc(Cl)c(Cl)c2)[nH]c1=O 13522394 KBVQSQXMTYTXKG-UHFFFAOYSA-N 372.252 2.882 0 1 FFAF CC(C)NC(=O)C[S@@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584882 TVJWNQXHBUULSP-PNIPZHNDSA-N 370.946 2.649 0 1 FFAF NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl 169351751 ACXGLSVXHSHQKI-UHFFFAOYSA-N 374.249 2.963 0 1 FFAF Cc1cccc(C)c1OC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207239060 FGVBKKDHMNXMNK-UHFFFAOYSA-N 363.483 2.875 0 1 FFAF CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc21 3264911 YBKQPUJZLKPUBQ-UHFFFAOYSA-N 373.434 2.790 0 3 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)c2ccccc2F)CC[C@]1(C)O 2356289232 RRIHQSNLTJIVGZ-ZVDOUQERSA-N 370.424 2.669 0 1 FFAF c1cc(Sc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1 28711520 BQXXXVQLOOIBPN-UHFFFAOYSA-N 352.467 2.580 0 1 FFAF Cc1nn(C)c(NC(=O)CN2CCCCC2)c1C(=O)c1ccccc1F 29344210 GORCEBIXFJELFS-UHFFFAOYSA-N 358.417 2.523 0 1 FFAF COc1cc(OC)c(S(=O)(=O)Nc2cccc(F)c2)cc1NC(C)=O 73273607 SQXTUEAJBJWCIL-UHFFFAOYSA-N 368.386 2.602 0 1 FFAF CC(C)CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O 82178184 ZAVKBZYGQJFDIB-UHFFFAOYSA-N 356.474 2.784 0 1 FFAF Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565064 YPWWRTLSXYZYHB-UHFFFAOYSA-N 367.852 2.922 0 1 FFAF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc(Cl)c(F)c1 96917677 JYOGJSQFWPNQRD-PXAZEXFGSA-N 374.799 2.601 0 1 FFAF CCOC(=O)[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517746 UDGWHVSLLSZTIX-HXUWFJFHSA-N 354.406 2.723 0 1 FFAF C[C@@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582756 QUMINLAUTLIHOT-APWZRJJASA-N 351.362 2.794 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N(C)C)[C@@H](C2)C3=O 587426578 AABIWKZMPSUBCD-BTYIYWSLSA-N 367.401 2.651 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1 586935165 FTTRAKBOSUIMFZ-UHFFFAOYSA-N 374.253 2.947 0 1 FFAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587097815 SWBIOXBPKYCERO-WSXQUGQNSA-N 356.381 2.992 0 1 FFAF COc1cccc(CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587929895 ADFLXDBNWIGYIL-UHFFFAOYSA-N 359.451 2.607 0 1 FFAF Cc1c(F)ccc2c1[C@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)NCC2 962378817 URGWJIKNSFLTAH-KUHUBIRLSA-N 366.433 2.863 0 1 FFAF COc1cccc(N2CCN(c3c(CO)c(=O)oc4ccccc34)CC2)c1 1772620505 PHCGHVFPZBCESL-UHFFFAOYSA-N 366.417 2.621 0 1 FFAF C[C@@](O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F 13760229 GZWMDPGUFOOZAX-OAHLLOKOSA-N 371.336 2.752 0 1 FFAF COc1c(-c2ccc3c(c2)OCO3)oc2c(OC)c(O)cc(O)c2c1=O 14437090 WGJDKSZLQCVWMG-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF biogenic,in-vitro C[C@@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162145 YIPMKFWEORGSOZ-MOFRVYSQSA-N 360.406 2.614 0 1 FFAF CC(C)(O)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167235592 TZSBWGLLDDKITG-UHFFFAOYSA-N 371.412 2.874 0 1 FFAF CCc1c(-c2ccc(N3CC[C@@H](O)C3)cc2)nc(O)c2c(O)nsc12 1857620800 JRIPFXGWBPUXDC-GFCCVEGCSA-N 357.435 2.903 0 1 FFAF COc1cc([C@@H]2CC(c3cccc(N)c3)=NN2C(C)=O)cc(OC)c1OC 58583486 HBDLXBJCKNAUOT-KRWDZBQOSA-N 369.421 2.992 0 1 FFAF Cc1nc(N)nc2c1cc(-c1cnn(CC(F)F)c1)c(=O)n2C1CCCC1 117701555 ICMGUSFUTMZWBU-UHFFFAOYSA-N 374.395 2.926 0 1 FFAF Nc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 66078511 SYYKZDHLGCDBHK-UHFFFAOYSA-N 359.477 2.972 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(C)=O)CC(C)=CCC1 2356571376 PMYTWBUCBFNKSN-IEGACIPQSA-N 350.411 2.716 0 1 FFAF CCC=CC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@@H](O)CCCC(=O)O 2356732063 VLLDKSJDBRLUOY-QYZOEREBSA-N 350.455 2.905 0 1 FFAF COc1ccc2c(c1OC)CN1C[C@@H](O)c3cc4c(cc3C1=C2)OCO4 2356835717 KULLLCUCGBWHQS-MRXNPFEDSA-N 353.374 2.793 0 1 FFAF COc1cc(CCCN[C@H](CN)Cc2ccccc2)cc(OC)c1OC 36389275 RQPWEUFCTFTQSL-SFHVURJKSA-N 358.482 2.805 0 3 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(O)cc3O)oc2c1 14436487 FJFLYDSOXABNGE-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1cc2c(cc1O)-c1cc3cc(OC)c(OC)cc3c(=O)n1CC2 14620133 PQBLJPKMVSDAKV-UHFFFAOYSA-N 353.374 2.956 0 1 FFAF biogenic COc1c(O)c2c(c3c1[C@H](CO)OC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C 14816270 VFAWCZCJUTVMRS-QLMNROTDSA-N 374.433 2.814 0 1 FFAF biogenic Cn1cc(Nc2ncc3cnn([C@@H]4CCC5(CC5)C4)c3n2)cc1C(N)=O 84614491 IOUPQNBCPLQNGI-CYBMUJFWSA-N 351.414 2.513 0 1 FFAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 96917025 ZFAQTOYSVLYBOE-OAHLLOKOSA-N 368.867 2.766 0 1 FFAF Brc1ccc(Nc2nc3ccc(N4CCNCC4)cc3[nH]2)nc1 299834393 XONZMSUGVVAHPN-UHFFFAOYSA-N 373.258 2.874 0 1 FFAF Clc1nccnc1N1CCC(c2nc3c(Cl)ncnc3[nH]2)CC1 587085009 MFPGSKAOQOQOFD-UHFFFAOYSA-N 350.213 2.834 0 1 FFAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(N)=O)cc2[nH]1 586971883 ABBGIGSPPQEQQG-QGZVFWFLSA-N 368.462 2.772 0 1 FFAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccc(N)c1)[C@@H](C2)C3=O 587433486 RBGCRONNGOZCJI-YWZLYKJASA-N 353.374 2.785 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963839 UISNRFIWVLPUGD-STQMWFEESA-N 363.483 2.751 0 1 FFAF CC(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765455 CIFINPVQPDJOSY-JTQLQIEISA-N 355.251 2.960 0 1 FFAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@H](N)C(N)=O 587627682 IELYERDZSZPRJJ-VIFPVBQESA-N 353.266 2.869 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 587559702 LTWOQRUPOYRRLV-GXTWGEPZSA-N 365.389 2.813 0 1 FFAF COc1cc2c(cc1OC)[C@@](c1ccccn1)(c1ncc[nH]1)N(C)[C@H](C)C2 962633507 PJAFSBIYWMBLRJ-SPLOXXLWSA-N 364.449 2.990 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@]3(C(=O)O)c1cc(F)ccc1F 963066027 LDBOEQQWPNYIBM-HXUWFJFHSA-N 370.355 2.996 0 1 FFAF COc1cc(F)c(F)c(F)c1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963549996 JREZNIVFTDXLRS-APPDUMDISA-N 367.323 2.815 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCN(CCc3ccccc3)C2)N1 962899154 QLLGZEVPZZUZJE-FPOVZHCZSA-N 354.425 2.568 0 1 FFAF Cc1cc2c(cc1O)[C@](C)(c1ccc3c(c1)cc(O)n3C)N[C@H](C(=O)O)C2 963553017 QKUPPLNEYSNXMB-KKSFZXQISA-N 366.417 2.760 0 1 FFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1cccc2ccccc12 1772625871 CKLWBDPTLKQLFO-KRWDZBQOSA-N 373.368 2.678 0 1 FFAF COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1 13741008 CFBQXKZORDHMFE-UHFFFAOYSA-N 359.514 2.904 0 1 FFAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3cc4ccoc4cc3O[C@@H]1CO2 14450975 SXKFYDWIBCRCRI-UYAOXDASSA-N 368.341 2.674 0 1 FFAF endogenous,in-man CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC 206694897 ZQAYPFCIJSYLBD-UHFFFAOYSA-N 353.850 2.558 0 1 FFAF CC(C)COC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1C(=O)NC1CCCCC1 205523631 OCZYDCSUZZQPKY-QZTJIDSGSA-N 373.449 2.954 0 1 FFAF CCCOc1cc(NC(=O)[C@H]2CCCN(C#N)C2)ccc1-c1cc[nH]n1 1857615369 UMJZVKHSSKVFKA-AWEZNQCLSA-N 353.426 2.997 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO 4206717 NUEARICFEPWQBE-AEFFLSMTSA-N 374.824 2.549 0 1 FFAF CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100107721 JRBCRMRMHKTKPI-JLWKGQPDSA-N 361.489 2.685 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4C)C[C@H]3C2)n1 116825672 ITGYKTHFPTWTCL-IYBDPMFKSA-N 354.429 2.749 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)n1 2356448962 WAEYMSWTBITFIM-YOEHRIQHSA-N 357.385 2.971 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OCc2c1ccc1c2OCO1)OCO3 2356461962 AACMFFIUYXGCOC-UYAOXDASSA-N 353.374 2.945 0 1 FFAF Brc1ccc(-c2nc(CNCCN3CCOCC3)co2)cc1 72181016 SMMIRVRJVUCFKZ-UHFFFAOYSA-N 366.259 2.526 0 1 FFAF COc1cc2oc(C)cc(=O)c2c2c1C[C@H](C)[C@]1(C[C@H](O)C[C@@H](C)O1)O2 14922722 MHQCFVVDBXCFCK-YBQGDOTASA-N 360.406 2.937 0 1 FFAF biogenic O=C1NCN(c2ccccc2)C12CCN([C@H]1CCOc3ccccc31)CC2 137228026 MVFDPXNNNVOLFM-IBGZPJMESA-N 363.461 2.939 0 1 FFAF C[C@@H](CON1C(N)=NC(N)=NC1(C)C)Cc1ccc(Cl)cc1Cl 45192191 BHDZOHITMCDRIX-SECBINFHSA-N 358.273 2.785 0 1 FFAF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@](C)(C(=O)O)O2 143088818 ZEQJLZISKIJRFI-GOSISDBHSA-N 350.367 2.550 0 1 FFAF COc1cccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 95601888 ZKJOZWMECIBIDN-NRFANRHFSA-N 365.433 2.905 0 1 FFAF C[C@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccc(O)cc1 299822989 JBPPVWQXYIVZQG-WKWVNEEDSA-N 355.390 2.599 0 1 FFAF CN(CCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1 299857187 MGVJWIGUSQXNFZ-UHFFFAOYSA-N 366.417 2.751 0 1 FFAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2nc(Br)c[nH]c-2n1 587052756 LEDPRHFGEYVXRQ-MRVPVSSYSA-N 368.622 2.669 0 1 FFAF CC(=O)N[C@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 587216495 CJOBXTYCJIHYJH-GOSISDBHSA-N 364.449 2.993 0 1 FFAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586910315 OLWNEUZYXKIOST-MRVPVSSYSA-N 362.329 2.666 0 1 FFAF COc1cc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)ccn1 587394659 YCDCJLPNFQUAGE-LJQANCHMSA-N 356.378 2.706 0 1 FFAF CC(C)c1nn(C)c2c1[C@H](c1cccn1CC(=O)OC(C)(C)C)NCC2 962916947 XWFKBCLHPJNMFT-IBGZPJMESA-N 358.486 2.922 0 1 FFAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@H]1O 1772571117 BBGZNGZEWBUPKR-ORVNPPPFSA-N 364.438 2.713 0 1 FFAF COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(C)C)ncn1-2 1772647549 SOOWSHNBKRDUIX-INIZCTEOSA-N 369.421 2.984 0 1 FFAF CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@](C(=O)OC)(C2)[C@H]13 5954488 TUZCJNZERFWZAS-YDBSYXHISA-N 354.450 2.961 0 1 FFAF Cc1ccc2c(c1)COc1c3ccc(C(=O)N[C@@H](CO)C(C)C)cc3nn1-2 13657642 BHMZVNAKYHIOLP-SFHVURJKSA-N 365.433 2.973 0 3 FFAF CC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@]1(C)O)OCO3 17176657 WPRIGIWLWBHLBX-HKBOAZHASA-N 369.417 2.919 0 1 FFAF CC[C@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@H](O)[C@H](O)CCCC(=O)O 169622093 JQFGUBLRJFEKMI-ADUZOCSQSA-N 350.455 2.905 0 1 FFAF COc1ccc([C@@H]2CC(=O)CCN2S(=O)(=O)c2ccc(F)cc2)cc1 206062249 KJNXTKAHNAHRED-SFHVURJKSA-N 363.410 2.929 0 3 FFAF CC(C)COC(=O)[C@H]1C(=O)Oc2ccccc2[C@H]1C(=O)NC1CCCCC1 205523620 OCZYDCSUZZQPKY-MSOLQXFVSA-N 373.449 2.954 0 1 FFAF C[C@@H]1CCC[C@@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)[C@@H]1C 6807626 FFXAWHZUOJBTLU-RBSFLKMASA-N 370.453 2.963 0 3 FFAF CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccc(C)o1 7992795 OTGMPWBYIOQHKI-GHTZIAJQSA-N 352.434 2.993 0 3 FFAF C[C@@]12COCC[C@H]1Oc1ccc(-c3cccnc3F)cc1[C@@]21COC(N)=N1 103253305 LLSLXWZPKRKVTK-AHRSYUTCSA-N 369.396 2.616 0 1 FFAF O=C(O)[C@H]1CCCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 104416502 XPYCSPVGBUOATR-JTQLQIEISA-N 352.316 2.858 0 1 FFAF C[C@@H](Nc1nc(N)nc(NCCc2ccncc2)n1)c1ccc(F)cc1 28369841 NFJUKKVDNNPUPA-GFCCVEGCSA-N 353.405 2.816 0 1 FFAF O=C(CN1CCN(Cc2ccco2)CC1)[C@](O)(c1ccccc1)C1CCC1 22940405 QWMKZVMOICTKIR-QFIPXVFZSA-N 368.477 2.654 0 1 FFAF Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCN2c2ncc(Cl)cc21 20388231 JUFFVFYIQOJCFR-HNNXBMFYSA-N 370.840 2.998 0 1 FFAF CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356688365 XNAJGYZYRDOIBO-VHGWVYRWSA-N 350.499 2.537 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12 210799259 FLLRIVQQUGHXBC-LLVKDONJSA-N 354.414 2.765 0 1 FFAF Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F 198500681 AJFPECGYRXUAHZ-UHFFFAOYSA-N 359.382 2.820 0 1 FFAF O=C(NCCCO)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143494231 UDXVYLHBHVGUCB-KRWDZBQOSA-N 351.324 2.577 0 1 FFAF O=C(Nc1ccc2cn[nH]c2c1)c1cnc(N2CCOCC2)c(Cl)c1 299831296 IIGYXXRHHHAJHJ-UHFFFAOYSA-N 357.801 2.700 0 1 FFAF Nc1ncnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 586922224 RQOQMVOGIXNSEH-UHFFFAOYSA-N 365.418 2.576 0 1 FFAF COc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1 5460142 UEVMXEZUMHYJAY-UHFFFAOYSA-N 352.423 2.524 0 1 FFAF O=C1Oc2ccccc2[C@@H](O)[C@H]1Sc1c(O)oc2ccccc2c1=O 13604217 FARGPRAWHNFEMH-UKRRQHHQSA-N 356.355 2.612 0 1 FFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)N2 169317408 GPTFOAJWBIXTMY-RFQIPJPRSA-N 371.218 2.688 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H](C)N=O 169713205 XLNXVJZECOAZJD-NSHDSACASA-N 356.854 2.528 0 1 FFAF C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CSCC(N)=N1 207101409 FFXBFKVOFDJCHR-SFHVURJKSA-N 369.425 2.664 0 1 FFAF Cc1cncn1[C@H](C)C(=O)NCc1cccnc1[C@@H]1CCCN(C)CC1 1857535296 LCFCRUDLPGTLCB-IAGOWNOFSA-N 355.486 2.663 0 1 FFAF CN[C@@H](C(=O)N[C@H](COC(=O)C(C)C)Cc1c[nH]c2ccccc12)C(C)C 2356326373 WHLPINMHMWSWLW-QFBILLFUSA-N 373.497 2.638 0 1 FFAF COc1c(O)ccc2c1-c1c3c(c(OC)c4ccnc(c14)C2=O)OCO3 3594913 ZLFKJSKABHQLAQ-UHFFFAOYSA-N 351.314 2.898 0 1 FFAF biogenic,in-vitro Cc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C 103529146 WGUJTGYNSWNKHP-HNNXBMFYSA-N 371.396 2.931 0 1 FFAF CC[C@@H]1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2C[C@H]1C3=Nc2ccccc21 2356623126 BMRYZKSXVDMCAO-WMZPNPRCSA-N 354.450 2.511 0 1 FFAF O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1 195414143 KXTMJDDBLNXRRA-TUFGIGEDSA-N 365.408 2.914 0 1 FFAF Fc1cc(-c2nc3c(c(N4CCOCC4)n2)COC3)c(F)cc1Cl 95574954 RVELKJBAOZBEHO-UHFFFAOYSA-N 353.756 2.942 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cc1 253636450 ZYHSHBUXMTUHNX-JPLJXNOCSA-N 361.482 2.699 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Cl)cc2[nH]1 586929430 CBGWBXKKBUFBRL-UHFFFAOYSA-N 351.815 2.751 0 1 FFAF O=C(c1ccncn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655831 GDUNVHMIIMHCSV-UHFFFAOYSA-N 364.311 2.820 0 1 FFAF CN[C@@H](c1cccnc1)c1nc2cccc(I)c2[nH]1 587220437 BQPTUCNTDNXEQG-LBPRGKRZSA-N 364.190 2.871 0 1 FFAF O=C(Nc1ccccc1Cl)c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587060974 XSFPUHRAPMGIIG-UHFFFAOYSA-N 351.771 2.715 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1)(C(O)O)O2 587382686 QYGWYPBALAMXRK-QGZVFWFLSA-N 367.323 2.767 0 1 FFAF COc1cc(OC)cc(N2[C@H]3CC[C@@H]2CC(c2cnc(N)nc2N)C3)c1 13532522 JGPAZLDJBCRUKN-YHWZYXNKSA-N 355.442 2.573 0 1 FFAF CCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 13607038 NFUZGLSSTVEACR-UHFFFAOYSA-N 368.401 2.583 0 1 FFAF Cc1cccnc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076366 NQQRJWYILLJTRM-UHFFFAOYSA-N 366.396 2.961 0 1 FFAF CCCNS(=O)(=O)N[C@H]1CCCc2c(-c3ccc(C#N)cc3)cncc21 205705519 LRAYCCYELAJUSB-IBGZPJMESA-N 370.478 2.832 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@H](COC)c3cccc(C)n3)ncc12 209351004 DCAYTWRSOFOTEG-OAHLLOKOSA-N 370.413 2.569 0 1 FFAF C[C@@]1(C(=O)NC[C@H](O)c2ccccc2)CON=C1c1ccc(Cl)cc1 769245 VXQWCORDABPOGV-QFBILLFUSA-N 358.825 2.930 0 1 FFAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487110 BHVRCRBUCZFVEK-KRWDZBQOSA-N 362.470 2.876 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@@H](NC(=O)NCc1ccccc1)c1ccccc1 7992497 LNUUUDMPKGHRTH-MSOLQXFVSA-N 354.406 2.605 0 1 FFAF CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1)N1CCN(C)CC1 26818509 YXIMEISWDRUOQU-KRWDZBQOSA-N 372.402 2.913 0 1 FFAF CC=C1CN2CC[C@@]34C(=Nc5c(OC)cccc53)[C@H]2C[C@H]1[C@@H]4C(=O)OC 2356644084 RQUBWQXSISZUEA-VKUNOELRSA-N 352.434 2.862 0 1 FFAF CC=C1[C@H](O)OC[C@]2(C)C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 2356765115 RKNFTDYAQCNESB-WELBPKCISA-N 352.434 2.915 0 1 FFAF CC(C)(O)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@H]1O 28109252 KFBQRZHPKRMWKO-IUHILOBXSA-N 371.521 2.828 0 1 FFAF NC(=O)C[S@@](=O)Cc1ccccc1-c1ccc(Br)cc1 73387097 NBUKMLQAYFVAIR-HXUWFJFHSA-N 352.253 2.850 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(CCC(=O)O)cc3[C@H]2CO)ccc1O 15169074 TZAVPCIAHLZJPJ-KUHUBIRLSA-N 374.389 2.636 0 1 FFAF biogenic O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1F)N1CCCCC1 82152214 QSLWBFICZJXZLC-UHFFFAOYSA-N 370.428 2.745 0 1 FFAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC)N2 82207395 DYHNJNRNXXWKTM-AWEZNQCLSA-N 368.437 2.982 0 1 FFAF O=C(NCCCCO)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144797761 GGMREFZOYXQBJM-SFHVURJKSA-N 365.351 2.968 0 1 FFAF CC(C)COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146309956 YNCLQRAMKPEORE-UHFFFAOYSA-N 374.462 2.972 0 1 FFAF O=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCSCC2)nn1 299866334 VSBZBKNNBZCDCX-UHFFFAOYSA-N 365.462 2.754 0 1 FFAF CC(=O)NCCc1ccc(O[C@H]2OCC[C@@H]2O)cc1-c1cccc(F)c1 653740426 CTJUVGBGTMVIAG-VQTJNVASSA-N 359.397 2.657 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)C(C)(C)CO)nc2c1 586901314 GWPQKISLWKROJZ-LBPRGKRZSA-N 371.231 2.554 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1c[nH]ccc1=NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587431952 ISWLTDCAZUFFDS-DJJJIMSYSA-N 366.417 2.985 0 1 FFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587226199 XAIYIHMNRWPGAK-LBPRGKRZSA-N 364.405 2.531 0 1 FFAF COC(=O)c1cc2[nH]c(CCOc3ccc(C=O)cc3)nc2cc1OC 587566544 RZDLSDLUHZJKGL-UHFFFAOYSA-N 354.362 2.792 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)nc(S)n2)N1 587842106 DCLVMSFYCKPBCJ-DAZKTRTLSA-N 370.247 2.996 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586962379 QXWPYAHPYJJMDK-RXMQYKEDSA-N 356.333 2.908 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1c(C)nn(C)c1C)O2 587388838 BIKLWHABGZSSOW-AQKVLALTSA-N 354.454 2.864 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@H](c3c(Cl)nc(Cl)n3C)c3cccc1c32 963015195 AERUTHNQIMZWTI-OQPBUACISA-N 351.237 2.870 0 1 FFAF C[C@]1(C[C@@H](O)c2ccccn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963240922 ZZAWSAPCZGYZBZ-QKNQBKEWSA-N 363.417 2.568 0 1 FFAF Cc1cc(C)nc(SC[C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963490536 KQDCOUXOUZHSFI-KXBFYZLASA-N 373.478 2.714 0 1 FFAF CCC(=O)N1CCC[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)C1 1772610174 DZJMKQGGNOPICT-CQSZACIVSA-N 350.426 2.649 0 1 FFAF C[C@H](CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 5034363 GLQULLFLRZGZKX-CYBMUJFWSA-N 365.389 2.873 0 3 FFAF aggregator CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 5834907 ILBBQDQPZLDEBO-UHFFFAOYSA-N 373.428 2.704 0 1 FFAF CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@@H](O)OC4=O)C(=O)C[C@@H]12 13376639 RCYGSCAXXOLSIX-SLIIYKDFSA-N 360.406 2.716 0 1 FFAF biogenic O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](O)C[C@H]1CN1CCCC1 13449246 WSBAWNBRLVNTEK-LSDHHAIUSA-N 371.308 2.984 0 1 FFAF c1c[n+](C[C@@H]2C[C@H]2C[n+]2ccc(N3CCCC3)cc2)ccc1N1CCCC1 13584339 DUARTZRJHMFURY-SFTDATJTSA-N 364.537 2.798 0 1 FFAF COc1cc2c(cc1OC)-c1c(O)c(OC)cc3cc[n+](C)c(c13)C2=O 14619479 PEPNCYBDUUMGBN-UHFFFAOYSA-O 352.366 2.607 0 1 FFAF Cc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 15064778 XICVHVBWFXQLQP-CYBMUJFWSA-N 357.414 2.979 0 3 FFAF Cc1cccc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4ccccn4)(CC2)C3)n1 169183084 OCVKYJFCWLTEPM-RTWAWAEBSA-N 364.449 2.790 0 1 FFAF CNC(=O)Nc1ccc(-c2cncc(/C=C3\SC(=N)NC3=O)c2)cc1 1857614077 MFOMNRXSNXKNFH-AUWJEWJLSA-N 353.407 2.639 0 1 FFAF NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccncc3)cc2n1 1857617105 BIZBSFIOAMBGEL-UHFFFAOYSA-N 361.380 2.815 0 1 FFAF Cc1ccc2nc(Cl)c3cc(C(=O)NC4=NC(=O)CN4C)sc3c2c1 4961652 ZZKMEUCQTXMASI-UHFFFAOYSA-N 372.837 2.969 0 1 FFAF Cc1nc2ccccn2c(=O)c1C(=O)NCc1ccccc1Br 6750666 WDUSAAIJKHQDJK-UHFFFAOYSA-N 372.222 2.695 0 1 FFAF Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)[nH]n1 114768188 BWJXTDQJFPUODC-UHFFFAOYSA-N 374.408 2.672 0 1 FFAF NC(=O)c1cccc2c1[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117618925 KDARCXVCYJVKRM-KXBFYZLASA-N 374.444 2.996 0 1 FFAF COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 101447156 YAEJSSQGTYFDJH-JSJNYSNDSA-N 368.389 2.797 0 1 FFAF COc1ccccc1CNC(=O)Cn1ncc2c3ccccc3nc-2c1O 103536242 SJQRYRKVMXYANE-UHFFFAOYSA-N 362.389 2.567 0 1 FFAF CC[C@H](CCc1ccc(F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27745033 HMDKKYXZPAZQII-VQIMIIECSA-N 360.429 2.665 0 1 FFAF CCCS(=O)(=O)C[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890431 CCIATXDJVAYJDO-AWEZNQCLSA-N 365.282 2.912 0 1 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NCC2CC2)nc1 28883800 QAPQONRZYYKXNH-UHFFFAOYSA-N 360.361 2.512 0 1 FFAF COc1cc(C=CC[C@]23C[C@@H](C(=O)O)N[C@H]2Nc2ccccc23)ccc1O 2356549446 BJTCLTIDRHFSRO-ZLGUVYLKSA-N 366.417 2.940 0 1 FFAF CC[C@@H]1C2=C(C[C@@H]3[C@H](O)C[C@H](C)C(=O)N3CCCC2)[C@@H]2[C@H](C)C(=O)O[C@H]21 2356812248 BIVOPELHCOXFQY-GAUSZAJJSA-N 361.482 2.672 0 1 FFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cccnc2)c1F 73197750 FRMBYOWCMGOCQL-UHFFFAOYSA-N 355.366 2.764 0 1 FFAF Cc1nc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 221281997 QSPKUGKRZFXZTA-INIZCTEOSA-N 374.448 2.844 0 1 FFAF COc1cc([C@H]2OC(=O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O 196219139 JOVBAVJQHJYOID-HAFFEQERSA-N 372.373 2.717 0 1 FFAF COc1ccc2c(c1O)CO[C@@H]1C(=O)c3ccc(OC)c(OC)c3O[C@H]21 73139977 NPLRFSWZYOARFO-VQIMIIECSA-N 358.346 2.633 0 1 FFAF biogenic CNS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586946754 OPYJFKIPVLLMQP-UHFFFAOYSA-N 369.368 2.674 0 1 FFAF COc1ccc2c(C)c(CCc3nc4ncc[nH]c-4n3)c(=O)oc2c1C 586917986 GOVPGIBJRLSKDH-UHFFFAOYSA-N 350.378 2.822 0 1 FFAF O=C1C[C@@H](c2nc3ccc(CCO)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147861 CGGDFGISUONOOC-CQSZACIVSA-N 371.387 2.892 0 1 FFAF COC(=O)COc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439572 LIHHMIFGHYAFKH-VFNWGFHPSA-N 368.385 2.910 0 1 FFAF COc1cc(F)c(F)c(F)c1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963550020 JREZNIVFTDXLRS-GTNSWQLSSA-N 367.323 2.815 0 1 FFAF O=C1c2c(Cl)cc(Cl)cc2C[C@H]1NC(=O)[C@H]1COc2ncccc21 1772645317 QAWCAQCOBWYFOU-WCQYABFASA-N 363.200 2.788 0 1 FFAF CC[C@H]1CCCCN1CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O 5069535 MHAWMHDJBIBWBV-MAUKXSAKSA-N 359.470 2.547 0 3 FFAF aggregator COCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 13596750 YEQNGJRILVYJIN-AWEZNQCLSA-N 368.424 2.636 0 3 FFAF CCS(=O)(=O)[C@@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 13675702 GTDDIUJHWPRGSU-HLIPFELVSA-N 372.442 2.983 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC(=O)[C@H]23)ccc1O 14718202 ADTULSGZUFJGNI-MDVLYUJXSA-N 370.357 2.731 0 1 FFAF O=C(NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1)C1CCOCC1 14885663 KUOADUZTOFNMDT-OAHLLOKOSA-N 356.397 2.734 0 1 FFAF CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 6875718 VEATZCPCKDHZHU-DLBZAZTESA-N 358.463 2.811 0 1 FFAF Cc1cccc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c1 29124635 UTOZGOKIINQHQY-UHFFFAOYSA-N 359.429 2.866 0 1 FFAF CONC(=O)O[C@H](c1ccccc1)c1cccc([C@H](C)C(=O)NOC)c1 53243948 TXLUVNBOLSPGOX-SUMWQHHRSA-N 358.394 2.845 0 1 FFAF CCCNC(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC 25427802 DFVLTSKUBDWYEV-JKSUJKDBSA-N 352.500 2.640 0 1 FFAF biogenic CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@@H]5OC(C)=O 2356784639 PLBDWNDRQQBXTQ-OSXAPZENSA-N 350.462 2.727 0 1 FFAF Cn1c(=O)c2cc(NC(=S)NC3CC3)ccc2n1Cc1ccc(F)cc1 61929567 JJDJGARESRNKTA-UHFFFAOYSA-N 370.453 2.976 0 3 FFAF Cc1c(-c2ccccc2)cccc1-c1cn2nc(CNCCO)cnc2n1 1911575498 SIYAOZFRXTVXSP-UHFFFAOYSA-N 359.433 2.849 0 1 FFAF COc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1O 84668908 MXKZNFNDKJTBGY-UHFFFAOYSA-N 371.393 2.803 0 1 FFAF COc1ccccc1CCCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O 96933534 APEXDSJBTDQYCA-SFHVURJKSA-N 373.497 2.814 0 1 FFAF CC(=O)Oc1cc(/C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)oc(=O)c1 238780284 SRTSQQDSWZIXHU-XQRVVYSFSA-N 372.329 2.586 0 1 FFAF COc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21 149178479 KYTHQUHMVMDEQH-UHFFFAOYSA-N 350.422 2.701 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)[C@H](O)C(=O)C/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/[C@H]1C 238737168 NSIYKHMKVAGRQL-ZOHNYLRUSA-N 352.471 2.804 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1c(OC)cc(OC)c(C=O)c1O)[C@@H](C2)C3=O 587442296 JPXGAXXZYOFJAD-YBTHPKLGSA-N 370.357 2.719 0 1 FFAF CCOC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833406 GGMICZPRRRRPPI-RBIVETJNSA-N 372.234 2.527 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(O)c4[nH]3)CC2)cc1 586955269 ODPZXWBYTXXIKY-UHFFFAOYSA-N 372.450 2.540 0 1 FFAF O=C1NC(n2nc3cc2Oc2ccc(F)cc2-3)=NN/C1=C\c1ccccc1 587875179 HKAMXWOFWFTPEY-NVNXTCNLSA-N 361.336 2.675 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Nn3cccc32)N1 587767210 ADGBAAIBSJAMTB-JDNHERCYSA-N 364.218 2.641 0 1 FFAF CC1=C[C@]2(C(=O)CN1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962632538 LKZIUFHDMTWSOA-NFBKMPQASA-N 359.473 2.705 0 1 FFAF O=C(O)COc1c(C(=O)O)sc(-c2cccnc2)c1Br 14955085 RAMPHJUWDBVCPJ-UHFFFAOYSA-N 358.169 2.734 0 1 FFAF Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 205512722 DYMQPSSXRFHPQS-LJQANCHMSA-N 353.466 2.532 0 1 FFAF O=C(C[C@@H](O)CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 205582796 SVWHUAGYVUWJEF-PMACEKPBSA-N 358.434 2.734 0 1 FFAF O=C1O[C@](CO)(COC(=O)c2ccc(Cl)cc2)C/C1=C\c1ccccn1 1857760794 OMTMFLTXXIJRAC-CECLQJIQSA-N 373.792 2.653 0 1 FFAF N=C(N)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](CC(=O)O)CC3)cc1 600815 PBZHGABDBJBRAD-LBPRGKRZSA-N 351.406 2.803 0 1 FFAF 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351.410 2.848 0 1 FFAF CCCCC[C@H](O)CCCN(CCCCCC(=O)O)S(C)(=O)=O 43073119 WPTYIXZEPBHXPQ-HNNXBMFYSA-N 351.509 2.614 0 1 FFAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 255221022 JHBBZIAPXDEPET-KNMVPRIJSA-N 350.499 2.537 0 1 FFAF biogenic,in-vitro COc1cc(OC)cc([C@@H]2OC[C@@H](Cc3ccc(O)cc3O)[C@H]2CO)c1 86043429 PIIRZBCQJFAHCK-DJKXOVBDSA-N 360.406 2.654 0 1 FFAF biogenic N=C(N)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084634 FUOAMSDMUKXMTJ-UHFFFAOYSA-N 355.833 2.674 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3C[C@]34CCOc3ccc(OC)cc34)nc12 586917699 UQNSRTJDMWCOPQ-VLIAUNLRSA-N 365.389 2.961 0 1 FFAF COC(=O)c1cc2[nH]c(Cc3ccc(OC)c(OC)c3)nc2cc1OC 587926223 LCXYLNABXLUCAK-UHFFFAOYSA-N 356.378 2.966 0 1 FFAF O=C(N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)C(=O)O)OCc1ccccc1 587203005 MJIGYDNFEWBUMR-GFCCVEGCSA-N 374.784 2.533 0 1 FFAF CC1=C(c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)NNC(=O)C1 586886212 OPGPJIGCKZGPBS-QLFBSQMISA-N 362.433 2.957 0 1 FFAF 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84601993 KVHCLXIJFCQOCL-CMDGGOBGSA-N 363.435 2.880 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1 82074815 NMGQREDCRMMHMX-CYBMUJFWSA-N 359.451 2.607 0 1 FFAF O=c1c2cc3c(cc2ncn1C[C@@H](O)c1cccc(Cl)c1)OCCO3 653709742 YBIFZUXGQNVNHA-OAHLLOKOSA-N 358.781 2.555 0 1 FFAF CC[C@@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587759705 MEKXGKRXXJBALW-BJOHPYRUSA-N 353.239 2.905 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CNC(=O)C[C@@H]3C2)N1 587791142 FNXMHLZOFZRGPY-NUXYAOMOSA-N 367.262 2.864 0 1 FFAF Cc1cc(-c2nc3cnncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124175 IYCTZXJFWVOYTB-UHFFFAOYSA-N 357.317 2.590 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 587769600 OLHNNWGKZYAZSZ-JBNUXVMWSA-N 369.278 2.545 0 1 FFAF COC(=O)c1cc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2cc1OC 587155174 IINMMFJQTVBMBM-BUXKBTBVSA-N 355.369 2.839 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2N)N1 587763305 JESWSXGHLFIQTI-AYVTZFPOSA-N 353.239 2.702 0 1 FFAF C[C@H](NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 13131473 QRYVAOVRYCYIPY-VQQJLRODSA-N 357.450 2.738 0 1 FFAF CSc1c2n(c3cc(Cl)ccc13)CCN(Cc1cnc(N)nc1N)C2 13520550 IDRYQRLCJXCFLM-UHFFFAOYSA-N 374.901 2.987 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO 4055227 BUECXFFCUXXCOD-AEFFLSMTSA-N 374.824 2.549 0 1 FFAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4049430 UBPVGRWMVYZWKC-IEBWSBKVSA-N 355.438 2.829 0 1 FFAF COc1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1 29472467 FUFIPIUQBKQYJZ-UHFFFAOYSA-N 351.332 2.968 0 1 FFAF C=C1[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C(\C)CC[C@H]1OC(C)=O)OC(=O)[C@H]2C 100162743 VTWQYUXBPAQYBI-IQHLHDQJSA-N 350.411 2.714 0 1 FFAF in-vitro Fc1cc(F)c2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 114577903 BALDUDYARYXJIK-GFCCVEGCSA-N 362.405 2.827 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H](O)C2=C(C)C(=O)O[C@H]2C1 2356604112 UBMHMIZHPPOKIP-NMGPLPLXSA-N 350.455 2.654 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H](O)C2=C(C)C(=O)O[C@@H]2C1 2356604113 UBMHMIZHPPOKIP-ZKQZLOMZSA-N 350.455 2.654 0 1 FFAF COc1c(O)cc(-c2oc3c(C)c(O)c(C)c(O)c3c(=O)c2OC)cc1O 14435549 NTCHNMYCUMBOPY-UHFFFAOYSA-N 374.345 2.916 0 1 FFAF biogenic C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 31705512 DTMWSKSAMRZGQH-QDTBLXIISA-N 366.435 2.999 0 1 FFAF endogenous,world CC(C)c1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O 82226285 LMJIDWILEDNQFN-UHFFFAOYSA-N 356.474 2.784 0 1 FFAF C[C@H]1C[C@@H](C)[C@@H](O)[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1 96910322 QGEQAZFXCIABEB-KSHOWADASA-N 373.493 2.746 0 1 FFAF c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]3O1)OCO2 238735133 NMCACWIVSBCZQK-JZOCTASASA-N 370.357 2.946 0 1 FFAF CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253639119 XXYXPBFLSNTPKS-IUTWYETFSA-N 369.461 2.529 0 1 FFAF O=C(C1=Cc2cc(Br)ccc2S1(=O)=O)N1CCCCC1 473154648 JSCWAKPSWGNDTC-UHFFFAOYSA-N 356.241 2.590 0 1 FFAF Cn1cc(-c2n[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23)cn1 299866518 WBKFBMOXKGKWEK-UHFFFAOYSA-N 362.393 2.653 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586930215 ODAFXGRFOHBCEM-UHFFFAOYSA-N 371.340 2.917 0 1 FFAF COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1OC 586953671 XHTXDUWKXUBHGC-UHFFFAOYSA-N 367.471 2.578 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O 587430304 TZHACJROITXUPH-MWMUPTJPSA-N 366.417 2.991 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587602919 JWWPRJAOURXGOE-QXVLBNMISA-N 364.353 2.689 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108663 OBFVFWNQZJXXCM-UHFFFAOYSA-N 370.356 2.894 0 1 FFAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12C=C[C@H](O)OC2 961778794 SELPDOFKLLRWCD-UTKZUKDTSA-N 372.465 2.938 0 1 FFAF COC[C@]1(C2CCOCC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962712694 NYSRPIREBQINRZ-NVXWUHKLSA-N 357.372 2.601 0 1 FFAF O=c1c2c[nH]nc2c2ccc(-c3cc[n+]([O-])cc3)cc2n1CC(F)(F)F 1772656357 VZFUSHBMJSDDAJ-UHFFFAOYSA-N 360.295 2.741 0 1 FFAF CC(=O)[C@H](CC(C)C)NC(=O)/C=C/C=C/C=C/C=C/c1cn(C)c[n+]1C 13396715 IJGNGQQFTLOVNN-XIUYYCRVSA-O 356.490 2.651 0 1 FFAF CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2[S@@]1=O 13525441 USKXTPGLKFYTNS-HXUWFJFHSA-N 357.273 2.693 0 1 FFAF CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O 13821895 XGLIHZCJAFMECG-AWEZNQCLSA-N 350.459 2.576 0 1 FFAF COc1cc(CNc2nc3nc4c(c(O)n3n2)CCC4)ccc1OC(C)C 15669039 UDMHCNFJIKTVPS-UHFFFAOYSA-N 369.425 2.727 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169296757 YKLKQIKUUSJQGC-ZUBXJJBOSA-N 365.429 2.652 0 1 FFAF O=C(N[C@H]1CCC[C@H]1O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 168003159 HDSPLTHHRILVJR-RBUKOAKNSA-N 365.433 2.878 0 1 FFAF COc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 1857758205 IMRPUHPFYBTGTM-GFCCVEGCSA-N 366.414 2.892 0 1 FFAF O=C1CN(CCCn2ccnc2)CCN1Cc1ccc(Cl)cc1Cl 1857762254 YLOCIYOXGMRCFE-UHFFFAOYSA-N 367.280 2.924 0 1 FFAF O=C1N(C2CCCCC2)C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCN12 2356287130 COLXJDOCVHXODE-SFHVURJKSA-N 371.481 2.712 0 1 FFAF O=c1[nH]c2ccc(-c3nc([C@]4(c5ccc(F)cc5)CCOC4)no3)cc2[nH]1 20453831 FODQZZVOZIMCCL-LJQANCHMSA-N 366.352 2.752 0 1 FFAF O=C([C@H]1C[C@H]1c1ccc(N2CCCC2=O)cc1)N1CCN(C2CCC2)CC1 113834129 GTBRJCANRMKUJN-PMACEKPBSA-N 367.493 2.614 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356712060 OAHMLWQISGEXBB-XSLAGTTESA-N 366.454 2.754 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3cc(O)ccc23)[C@H]1c1c[nH]c2cc(O)ccc12 13372400 MDOQJLLAKJRIGD-HDICACEKSA-N 361.357 2.584 0 1 FFAF biogenic COc1ccc2c(c1OC)[C@H](c1ccc3c(c1)OCO3)C1=C(COC1=O)C2 13371293 URJOZSLMTIRWFW-KRWDZBQOSA-N 366.369 2.974 0 1 FFAF biogenic CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 82211228 KQSTZPVTLGKFIN-GFCCVEGCSA-N 354.410 2.765 0 1 FFAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)O)[C@@H]1CC[C@@H]2C(=O)CO 85588996 RUPOMAOZPOVHQZ-AYUOOJHXSA-N 360.450 2.761 0 1 FFAF endogenous,in-man O=C1[C@@H]2CC[C@@H](C2)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 143821112 DOISAUSITSTCMI-KGLIPLIRSA-N 367.424 2.894 0 1 FFAF COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)c1C 618015618 QGBBIIRLNFAAQC-IXDOHACOSA-N 373.497 2.750 0 1 FFAF O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 299845124 CHIDLXWKQGTIMW-VRHCTWJESA-N 370.430 2.639 0 1 FFAF CCS(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025657 PJEHWCAOTNQUPY-UHFFFAOYSA-N 372.522 2.789 0 1 FFAF O=C(c1ccnc(Br)c1)n1ncc2ccc(Cl)cc2c1=O 587651516 VRRIZTFDLHCGGQ-UHFFFAOYSA-N 364.586 2.896 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(F)c3)c(S(C)(=O)=O)c2c1 587650515 YSYBWZPLGUEWAI-UHFFFAOYSA-N 367.423 2.781 0 1 FFAF CCOC(=O)[C@H](Cc1ccc(C)cc1)c1ccc2c(O)nc(O)nc2n1 587558687 CDXVYGUMKATPQN-CQSZACIVSA-N 353.378 2.634 0 1 FFAF O=C1c2ccccc2-c2cc(CC(=O)N3CCOCC3)nc3cccc1c23 587106026 KFPQDQOYQPQUJZ-UHFFFAOYSA-N 358.397 2.848 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 586880826 SWRNQYSONRCSKU-KHPPLWFESA-N 371.418 2.578 0 1 FFAF COc1c(C=O)cc(C)cc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963028248 LVUUXHMPSWHGGH-RBZFPXEDSA-N 350.418 2.959 0 1 FFAF CN1Cc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2C1=O 1772612090 MENDAMXNLXJNGK-UHFFFAOYSA-N 369.852 2.888 0 1 FFAF COCOc1ccc([C@@]2(O)Oc3cc(OCOC)ccc3[C@@H]2C)c(O)c1 5854096 AFZNGIUUSDOHOB-BUXKBTBVSA-N 362.378 2.699 0 1 FFAF Cn1cc(C2=C(c3cn(C)c4cc(N)ccc34)C(=O)NC2=O)c2ccccc21 13447777 KTAUCQCZXBJXPD-UHFFFAOYSA-N 370.412 2.819 0 1 FFAF COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1 13762310 QPKPFUJFLVQTCR-UHFFFAOYSA-N 359.857 2.858 0 1 FFAF NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1C(F)(F)F 169342581 TVWGRFWTJOWJTO-UHFFFAOYSA-N 365.340 2.967 0 1 FFAF Cn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21 2461673 OAXLZYJCRNBBFQ-UHFFFAOYSA-N 368.458 2.931 0 3 FFAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)cc1 776272 JXEPRXWQRZIINM-HNNXBMFYSA-N 360.454 2.846 0 1 FFAF COc1c(CC=C(C)CC[C@@H](O)C(C)(C)O)c(=O)n(C)c2ccccc12 2356395839 XTAZRYNJXPGCRC-GOSISDBHSA-N 359.466 2.948 0 1 FFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049363 MSLDEDBADXHBHG-BPAFIMBUSA-N 368.433 2.674 0 1 FFAF COc1ccccc1N1CCN(c2nc3ccccc3n3cnnc23)CC1 4910343 KZTYADVPNRMNFO-UHFFFAOYSA-N 360.421 2.613 0 1 FFAF CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 9821963 XTYKBTNQJNTKBY-KRWDZBQOSA-N 358.825 2.813 0 1 FFAF CN(C)[C@@H](CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cn(C)c2ccccc12 27297555 NSLSUEQHSJDZJE-FCEWJHQRSA-N 351.450 2.732 0 3 FFAF COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)N32)OCO4)c1 25994985 MUZYGHAAHPZUBS-ZWKOTPCHSA-N 370.361 2.726 0 1 FFAF COc1ccc2c(c1)O[C@]1(C)C[C@@H]2[C@H](C(=O)c2ccccc2OC)C(=O)N1 100448587 OABCLKMPOUYXKO-RRMPHLOHSA-N 367.401 2.915 0 1 FFAF COc1ccc(C(=O)NC[C@H](O)CO)cc1/C=C/c1ccc(Cl)cc1 59754747 FRFTWFWYLIBTEB-RTZWDOBSSA-N 361.825 2.602 0 1 FFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2CC(C(=O)OC)=C[C@]2(C)[C@@H]1C(=O)OC 2356555037 GTQAUWWSOKGAGH-CUYVQJCZSA-N 350.411 2.573 0 1 FFAF CC1(C)C(=O)c2ccc(Br)cc2[C@@]2(c3cccc[n+]3[O-])O[C@@H]12 29482002 UWANTPICMNHWNE-RDJZCZTQSA-N 360.207 2.947 0 1 FFAF CC=C(C)C(=O)O[C@@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 2356614385 RRPAUYJABCIHOM-MEDUHNTESA-N 350.367 2.926 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]14C[C@H](c1ccco1)OC4=O)[C@@]23CO 2356647148 CKRQCQUCYGKPKV-KWCLEVHASA-N 360.406 2.614 0 1 FFAF Cc1cc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)ccc1Cl 38149985 GVBWYBNCQFFBKM-UHFFFAOYSA-N 359.857 2.849 0 1 FFAF COC(=O)[C@]1(Cc2ccc3c(c2)OCO3)CC(=O)O[C@@H]1c1ccccc1 73159496 HEBMYUZMCADJTM-UYAOXDASSA-N 354.358 2.805 0 1 FFAF COc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1OC 40421574 MPXGBZOVCVVBRH-KRWDZBQOSA-N 367.357 2.801 0 1 FFAF C[C@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035480 MXCHFWLKPVDOPC-BDAKNGLRSA-N 373.356 2.765 0 1 FFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1cccs1 82203585 QJCDOOUOMMLLOZ-UHFFFAOYSA-N 367.482 2.575 0 1 FFAF COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)c1C 618015617 QGBBIIRLNFAAQC-IKGGRYGDSA-N 373.497 2.750 0 1 FFAF CCOC(=O)C(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 587274033 RNLVVZXEPKJABS-UHFFFAOYSA-N 370.199 2.855 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C 587409913 XUBQJVUDOLTAGQ-ZCNNSNEGSA-N 357.406 2.761 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586969657 YUQIZNGSZAEHSB-UHFFFAOYSA-N 357.391 2.963 0 1 FFAF C[C@@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336144 JDZHNIMPCFMEOA-ICSRJNTNSA-N 366.348 2.889 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1 586958067 CYSHJUAXVFULRL-NRFANRHFSA-N 371.256 2.771 0 1 FFAF CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439103 JKJXEEGCBVBFQE-JLTOFOAXSA-N 351.358 2.689 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc3scnn3c2=O)N1 962950622 HJWQGSSAZMUGME-JEOXALJRSA-N 365.462 2.820 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 5447836 DUFGBXZQCBTAOV-DACLVMHWSA-N 368.433 2.774 0 1 FFAF O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(Cc2ccccc2)CC1 13731473 DCZVCFFWMZJJMF-UHFFFAOYSA-N 363.461 2.645 0 1 FFAF O[C@@H](CNCCOc1ccccc1)COc1ccccc1Br 169336834 INUPJBLTWXZQQB-AWEZNQCLSA-N 366.255 2.857 0 1 FFAF O=C(NCc1ccoc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168300400 NEOLYNHOWZYNGJ-UHFFFAOYSA-N 363.417 2.763 0 1 FFAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCOCC4)c3)oc12 1857534910 GAAFHEFTRADWFG-UHFFFAOYSA-N 369.373 2.716 0 1 FFAF COc1cccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1 1857604569 BMYLKGABPJVYRI-UHFFFAOYSA-N 352.500 2.580 0 1 FFAF CCN1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C(N)=O)C1 4087252 LNMJFPZNUPVEGA-UHFFFAOYSA-N 373.478 2.633 0 1 FFAF CN1CCC(Cn2nc(-c3ccc4ccccc4c3)c(C(N)=O)c2N)CC1 103252515 VZGULHBHJBIHDH-UHFFFAOYSA-N 363.465 2.726 0 1 FFAF C=C1C=C(C(F)F)n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2N1 102946120 JOBICGKYHJIXCI-UHFFFAOYSA-N 371.391 2.891 0 1 FFAF Cc1cccc(CCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)c1 101911885 FGWBMLALSDKQST-UHFFFAOYSA-N 360.417 2.909 0 1 FFAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(N)=O)c1O 27983106 QONPSDQOVUEIIL-UHFFFAOYSA-N 359.378 2.729 0 1 FFAF CC(C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 104005094 YXBCXXZPPSTQHS-PWSUYJOCSA-N 358.389 2.751 0 3 FFAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2Cl)c1 29246586 KALOYQBAVHVFJS-FNORWQNLSA-N 358.785 2.995 0 1 FFAF COc1c(OC)c(OC(C)=O)c2c(NC(C)=O)cccc2c1OC(C)=O 29319650 AUEBIGXHDLAKNS-UHFFFAOYSA-N 361.350 2.666 0 1 FFAF COC(=CC(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O 2356447599 XLWNJIRNWLVIGU-QUCCMNQESA-N 372.373 2.590 0 1 FFAF COc1c(O)cc2c(c1OC)-c1cccc(=O)cc1[C@@H](NC(C)=O)CC2 27849101 PAKCYXOVPSBSNJ-INIZCTEOSA-N 355.390 2.560 0 1 FFAF CCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@]12OC(=O)c1ccccc12 40568097 PCPVONZZCWSIEL-IBGZPJMESA-N 352.346 2.507 0 1 FFAF COC(=O)[C@@H]1CS[C@@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49035767 FVPMMSSRRBTXRI-ROUUACIJSA-N 364.511 2.818 0 1 FFAF CCCCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072237 MWKOVMQGVOICJS-UHFFFAOYSA-N 362.451 2.900 0 1 FFAF c1ccc(C[C@@H]2CCNC3(CCN(c4ncnc5[nH]cnc45)CC3)C2)cc1 96910995 LJIMRHWLWFNRRU-KRWDZBQOSA-N 362.481 2.934 0 1 FFAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C4CC4)c3)c2cn1 261172710 UDLLBIIEOKPSOK-UHFFFAOYSA-N 352.398 2.665 0 1 FFAF COc1cccc([C@@]2(C)O[C@@H]3N4[C@H](CO[C@H]42)O[C@@]3(C)c2cccc(O)c2)c1 299825430 CNHQLXJWTWVSSF-FCMAGTKHSA-N 369.417 2.902 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587041437 FSCLXLLWLXQPPA-LBPRGKRZSA-N 360.439 2.514 0 1 FFAF O=C(O)COCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587563821 XMDWPESTAQHOKG-UHFFFAOYSA-N 353.094 2.945 0 1 FFAF O=CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348310 WBJNSUAMMFTECA-GOSISDBHSA-N 355.365 2.881 0 1 FFAF Cc1ccc(C)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 586954708 FQCRMDSXVPWQMY-UHFFFAOYSA-N 370.478 2.747 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 587229915 DKEOMMUGQHXHIS-ZIAGYGMSSA-N 361.442 2.617 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)N1CCCC1 587863334 GLXQLUDFYPTNHI-UHFFFAOYSA-N 367.327 2.840 0 1 FFAF N=c1[nH]cc2nc(-c3cc(C(F)(F)F)ncc3Br)nc-2[nH]1 587116495 ZNHVMQXZSPVCHZ-UHFFFAOYSA-N 359.109 2.560 0 1 FFAF COc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 587150972 WOPHNEALACMBJF-NSHDSACASA-N 358.348 2.761 0 1 FFAF CON(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336131 LSAXAGMHXLTMQS-APWZRJJASA-N 359.353 2.669 0 1 FFAF CC(=O)N[C@H](Cc1nc2c(N)ccnc2[nH]1)c1ccc(Br)cc1 586984001 BLHKUVLPDOJKHL-CYBMUJFWSA-N 374.242 2.723 0 1 FFAF CCOC(=O)C1=NN[C@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 5101552 GKOGUFUDKOZXQH-IRXDYDNUSA-N 352.390 2.553 0 3 FFAF OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 14966851 HXHQENYKJFZYKN-ZDUSSCGKSA-N 372.284 2.705 0 1 FFAF CCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721733 NRZAIVGUHLFXRK-UHFFFAOYSA-N 364.467 2.760 0 1 FFAF CC1CCC(NC(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)CC1 6732931 QYJXRTAQLJJWNM-UHFFFAOYSA-N 363.483 2.617 0 3 FFAF COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cc3ccccc3o2)cc1 2928199 QXFFLLKCPABWFO-CYBMUJFWSA-N 352.390 2.876 0 3 FFAF aggregator CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 6875715 VEATZCPCKDHZHU-IAGOWNOFSA-N 358.463 2.811 0 1 FFAF O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@H]2C[C@H]12 103260417 HIOMOGJGDYPGSP-OALUTQOASA-N 353.466 2.942 0 1 FFAF N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 101352095 PUHDSLOGMUIUKK-LMKPVCQUSA-N 371.412 2.632 0 1 FFAF O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(Br)cc1 103256305 RTEMRKZBFLLEEH-MRXNPFEDSA-N 362.179 2.567 0 1 FFAF O=C(O)CCNC(=O)c1cccc2c1Cc1c-2n[nH]c1-c1ccsc1 28896678 DYBMRTXQOPNQNV-UHFFFAOYSA-N 353.403 2.914 0 1 FFAF Cn1ccc2c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cccc21 2356630925 KGWIDHNJFKXTQL-WMZOPIPTSA-N 355.482 2.938 0 1 FFAF CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 64548828 WLHFUBIRAHRPHA-UHFFFAOYSA-N 366.433 2.848 0 1 FFAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(=O)O 2356676838 ZZMKOZNTEJVKRY-OTWHNJEPSA-N 350.455 2.905 0 1 FFAF CCc1c(C)c2c(c(O)c1C/C=C(\C)COCP(=O)(O)O)C(=O)OC2 33983583 FXMQYUZSOIGHFH-BJMVGYQFSA-N 370.338 2.574 0 1 FFAF O=C(O)[C@@H]1CS[C@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49036048 MZTQHKMNBOOZNY-DLBZAZTESA-N 350.484 2.730 0 1 FFAF O=C1N[C@@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 195513675 SFZWSXJPRKAORB-WJFTUGDTSA-N 367.401 2.970 0 1 FFAF Cc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40847219 YFITZGXNIVJWJK-PETIARSGSA-N 352.386 2.913 0 1 FFAF CC(=O)C[C@@H]1OC[C@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 95599055 JRZKACXCEHQBGL-ICSRJNTNSA-N 373.474 2.932 0 3 FFAF CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 95563431 SAXAFXCYPKPULO-UHFFFAOYSA-N 361.471 2.510 0 1 FFAF O=c1cc(O)n(CCc2ccc(Cl)cc2)c(=O)n1[C@H]1C[C@H]2CC[C@@H]1C2 96270142 YBBFSMQHDHLGIA-LZWOXQAQSA-N 360.841 2.973 0 1 FFAF COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Cl 586944913 QXMQYCZYXPSESH-UHFFFAOYSA-N 369.830 2.843 0 1 FFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 587125734 SSTQUUNSFZLRDE-XINAWCOVSA-N 371.348 2.518 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cnc(NC[C@H]4CCCO4)nc1)[C@@H](C2)C3=O 587432325 KOAPAIWXWVTBGK-WTANOLMUSA-N 367.405 2.565 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3c(C(=O)O)cnn3c1C)O2 587395603 SCNPCOQIIGKWBM-IBGZPJMESA-N 366.377 2.507 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)O2 587396803 WGIILUHDLOHZLZ-YCRPNKLZSA-N 372.465 2.863 0 1 FFAF C[C@H](CCC(=O)O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587963251 RJRSQPPIWPEQME-LLVKDONJSA-N 355.398 2.666 0 1 FFAF CNC(=O)[C@@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386851 MCPVFVNCFOVSMX-KZULUSFZSA-N 354.406 2.797 0 1 FFAF CCOC(=O)C[C@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 169328072 CVRIERYQZVPRIK-CJNGLKHVSA-N 354.859 2.615 0 1 FFAF COc1ccccc1CCCNC[C@H](O)c1ccc(O)c2nc(O)ccc12 1857572607 NIUAMIBWLXADAK-SFHVURJKSA-N 368.433 2.910 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](C=Cc1ccccc1)[C@@H]([C@H](O)CO)OC2 1857623152 IVJQHPFJFSRCHY-UEXGIBASSA-N 356.418 2.753 0 1 FFAF COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(N(C)C)cc1[C@@H](N)CC2 6437317 RUQXXMUWOBJEQX-HNNXBMFYSA-N 370.449 2.752 0 1 FFAF CCCC[C@]12C[C@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 101050068 PILFFSFQSAQLOR-MSOLQXFVSA-N 364.829 2.701 0 1 FFAF COc1cc(C=CC[C@]23C[C@H](C(=O)O)N[C@@H]2Nc2ccccc23)ccc1O 2356549445 BJTCLTIDRHFSRO-TYCQWZJGSA-N 366.417 2.940 0 1 FFAF COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2c1 4580610 KBVZYVDFFQIVIW-QXUMQBBKSA-N 350.418 2.835 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@@H](c2ccc(O)cc2O)CC3=O)O1 13379883 JXVOAHGNNBAJCD-MSOLQXFVSA-N 356.374 2.879 0 1 FFAF biogenic C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@@H]3[C@H](O)O[C@H](C(=O)OC)[C@H]3CO)[C@@H]12 14697199 HPQVDDUSDREVAN-LCBCZDLHSA-N 366.498 2.900 0 1 FFAF biogenic Cc1nnsc1/C=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1 49109961 MWFXOAPFJUIVFB-NTCAYCPXSA-N 356.451 2.630 0 1 FFAF CCCCNC(=O)C(=O)NCCCNc1ccnc2cc(Cl)ccc12 45385671 UBROCTFJVMCXBM-UHFFFAOYSA-N 362.861 2.723 0 1 FFAF COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCCC3)C2)cc1 20462985 GYQKMMJDUOBWLG-ROUUACIJSA-N 374.481 2.734 0 1 FFAF biogenic O=C(CNC(=O)c1ccc(-n2ccnc2)cc1)N[C@@H]1CCCc2ccccc21 148813284 NWRZXVYYHQMCAU-HXUWFJFHSA-N 374.444 2.796 0 1 FFAF Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(CCc3ccccc3)C(=O)N1C2 96020174 CIHOIHVHYKYCHL-SFHVURJKSA-N 356.447 2.860 0 3 FFAF CO[C@@]12C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 238786938 JNDRQMIRNBREKL-LFZHTKQVSA-N 364.482 2.797 0 1 FFAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 299887522 ZAABBSDFYRKRDR-KUZCPNRJSA-N 356.422 2.895 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@H]([C@](O)(CO)[C@H](O)CO)C[C@@H]12 473096141 YYLNWEORJBWPMV-YWUYUPJPSA-N 354.531 2.722 0 1 FFAF CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430610 WAWKDMXOSJHWOG-ZXZORXQGSA-N 373.449 2.990 0 1 FFAF Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1C 587239881 ZTENUGBJSPPXQM-UHFFFAOYSA-N 359.407 2.608 0 1 FFAF O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 586990010 TXZKCTIRMNVICL-MFKMUULPSA-N 356.381 2.928 0 1 FFAF COC(=O)Cc1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587445079 WLEZLKCKEXNQQM-VLIAUNLRSA-N 354.358 2.605 0 1 FFAF Cc1nc(C)c(C(=O)/N=C(/N)NCc2ccc(Cl)c(Cl)c2)nc1C 59111970 FSRQCKLTRWOBOD-UHFFFAOYSA-N 366.252 2.953 0 1 FFAF O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 13765898 AGRAPFFXIAIYEB-UHFFFAOYSA-N 367.854 2.878 0 1 FFAF CC(C)CCNC(=O)CCn1cc(Br)c2ncccc2c1=O 169353039 KBCCCMSXXWIVPH-UHFFFAOYSA-N 366.259 2.711 0 1 FFAF CCc1cc(-c2cc([C@@H](O)C3CC3)n3ncnc(N)c23)cc(F)c1CO 205821130 MDTULDMQZUPSIY-SFHVURJKSA-N 356.401 2.616 0 1 FFAF c1cc(-c2nc(C3CC3)cc(N3CCC(N4CCOCC4)CC3)n2)ccn1 1857610402 ZSPGZDROXMKMMS-UHFFFAOYSA-N 365.481 2.717 0 1 FFAF CN=c1[nH]cc(C(=O)O[C@@H](C)c2ccccc2)c2nc(-c3ccco3)nn12 1857653070 LGCXJBCALNIFGI-LBPRGKRZSA-N 363.377 2.766 0 1 FFAF CC1=C[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CCC(C)=CCC[C@](C)(O)[C@H](O)CC1 255208869 FCPVMRGLYDLISU-FGSPNWDHSA-N 352.471 2.590 0 1 FFAF CCOc1ccc(NC(=O)[C@H](CC)NC(=O)c2ccccc2CO)cc1 4035776 VZYCOJDMZSWARY-SFHVURJKSA-N 356.422 2.725 0 3 FFAF C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]13COC(=O)CC[C@]21C1=CCC[C@H]1CCC3=O 2356420844 PCJYGKKIPFQGPZ-QRMPVNEYSA-N 371.477 2.882 0 1 FFAF CCO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 28221589 KJCLGDBUSZFKIR-KDXIVRHGSA-N 369.461 2.570 0 1 FFAF CO[C@H]1C[C@@H]2C(=O)Nc3ccc(C=Cc4ccc(O)cc4)cc3C(=O)N2C1 2356866316 WETZAQFCPOZUGP-QFBILLFUSA-N 364.401 2.744 0 1 FFAF C[C@@H]1CC(=O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 6030672 XDLLWFPVEHRTIN-KHZNIVTBSA-N 356.374 2.743 0 1 FFAF biogenic C=C1NN([C@@H](C)C(=O)O)C(=O)N1c1ccc(OCc2ccccc2)cc1 38142060 KODDVVFQMRSBLJ-ZDUSSCGKSA-N 353.378 2.957 0 1 FFAF COc1ccc2c(CN(C)Cc3ccccc3)cn(CCNC(C)=O)c2n1 71329583 JLLJYJFJCQEJJV-UHFFFAOYSA-N 366.465 2.813 0 1 FFAF NCCC(=O)N1CCc2c([nH]c3ccc(F)cc23)[C@H]1c1cccc(O)c1 45337370 UPRAPYOVWHBPCL-HXUWFJFHSA-N 353.397 2.836 0 1 FFAF CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454495 XGKDKGCJHBJPGJ-IQUTYRLHSA-N 362.447 2.888 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CN(C)N[C@H]1C(F)(F)F)CC2=O 587464079 ICMYHISOERCNEJ-DIOULYMOSA-N 358.360 2.676 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587020620 AAOJHGMKQTUZMZ-UHFFFAOYSA-N 373.463 2.881 0 1 FFAF COc1ccc2c(C)c(CCc3nc4cncnc4[nH]3)c(=O)oc2c1C 586918191 JXAMKUHHZODULN-UHFFFAOYSA-N 350.378 2.870 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 587120228 DKAPNKHOCFEXGK-UHFFFAOYSA-N 352.301 2.909 0 1 FFAF O=C(NCc1nc2cnc(Cl)[nH]c-2n1)c1cccc(C(F)(F)F)c1 587111581 LOFFIICBASEUFS-UHFFFAOYSA-N 355.707 2.907 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc([C@@]4(N)CCOC4)[nH]c3c2)cc1 587248563 UEBUNWADQULYLV-LJQANCHMSA-N 353.378 2.716 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 587769599 OLHNNWGKZYAZSZ-GMLNSNLASA-N 369.278 2.545 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 587415298 ZQVJEFSRIKEPDF-LJQANCHMSA-N 357.362 2.553 0 1 FFAF O=C(O)COCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587563193 PDOJWZQAGHHZNI-UHFFFAOYSA-N 353.094 2.945 0 1 FFAF CC(C)(C)OC(=O)NCC[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963240892 ZTJVUTVCUXJUHD-IRXDYDNUSA-N 371.437 2.790 0 1 FFAF O=c1cc(Cl)[nH]nc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 222815618 DFFIUNTUEDBUST-UHFFFAOYSA-N 354.602 2.531 0 1 FFAF O=C1O[C@H](c2ccc(F)cc2)CN1c1cccc(OS(=O)(=O)O)c1 1772614231 MHRFLWXILAYKJW-AWEZNQCLSA-N 353.327 2.705 0 1 FFAF COCOc1ccc([C@@]2(O)Oc3cc(OCOC)ccc3[C@H]2C)c(O)c1 5854094 AFZNGIUUSDOHOB-BLVKFPJESA-N 362.378 2.699 0 1 FFAF C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H](O)[C@H](C)C1 6481606 QGEQAZFXCIABEB-IWVCZYFPSA-N 373.493 2.746 0 1 FFAF Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 1857629339 JNMZZXDIGNVESH-LJQANCHMSA-N 356.489 2.785 0 1 FFAF O=C(O)/C(=C(O)\C(O)=C(/C(=O)O)c1ccc(O)cc1)c1ccc(O)cc1 100598967 JAPFERUNJJAJSP-WXUKJITCSA-N 358.302 2.505 0 1 FFAF CC(C)NC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN(C)Cc1ccccc1 2356300309 ITQUMIWWTNAOLC-AQNXPRMDSA-N 358.530 2.536 0 1 FFAF CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)/C=C/c1ccccc1 28708727 CEPFRRBOSIQQFH-NUPXTWTDSA-N 369.417 2.919 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCC2CC2)O3)cc1 61904151 LXERCYALRJSJAI-OAQYLSRUSA-N 365.433 2.927 0 3 FFAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1 22941410 MKNRXBPDERAOEB-QGZVFWFLSA-N 367.468 2.921 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCCC1 2356573469 OGUHNVUJYHJQRS-MSOLQXFVSA-N 350.503 2.992 0 1 FFAF CCCC[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 26507256 ZTZWLMNPZLXACY-XJKSGUPXSA-N 369.483 2.867 0 1 FFAF C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(ccn3C3CC3)cn2)cc1 118582176 KTWLWSBHHAXVSH-FQEVSTJZSA-N 351.406 2.823 0 1 FFAF O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(c2cc(=O)[nH]cn2)CC1 32537183 DJIRFUFHSZHYOA-CQSZACIVSA-N 359.451 2.703 0 1 FFAF CC1(C)[C@H]2CC[C@]3(CO3)[C@H](CC/C=C3/C(=O)OC[C@@H]3O)[C@@]2(C)CC[C@H]1O 95485935 JHCLIWLPZLCCIP-JIFUFXAYSA-N 364.482 2.593 0 1 FFAF biogenic,in-vitro CC[C@@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@@](C(=O)OC)(C2)[C@@H]13 238740693 PEBWIYPIKTWOBT-BYXGTRSTSA-N 354.450 2.644 0 1 FFAF COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1 299832530 IWSIZNDPYKQFNO-UHFFFAOYSA-N 365.349 2.703 0 1 FFAF COC1=COC(CO)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832245 JDAFFWMDCGRMRD-JDNHERCYSA-N 370.218 2.712 0 1 FFAF CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)n1 586966536 HQJKMMGZGIBDGC-UHFFFAOYSA-N 355.423 2.798 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NS(C)(=O)=O)c1)O2 587408373 FWKJXLCAGHHEHB-GOSISDBHSA-N 360.435 2.829 0 1 FFAF CN(CC(=O)O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587505468 MJGUXLOTXOHSJM-QGZVFWFLSA-N 367.405 2.583 0 1 FFAF CCNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388210 XYGOOBWKQZUJRL-GOSISDBHSA-N 354.406 2.799 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587802925 ONGVYYCXYNLKMY-CPFSXVBKSA-N 368.206 2.722 0 1 FFAF N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)nc-2c(Cl)[nH]1 587108676 ORPKIJJDLQSMDI-UHFFFAOYSA-N 357.679 2.754 0 1 FFAF CCOC(=O)c1cnn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc12 587395000 MYHRBLLLSZALGD-MRXNPFEDSA-N 366.377 2.503 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCc2nncn2C1 587871692 BMEZMXANMRJJLW-CYBMUJFWSA-N 355.373 2.582 0 1 FFAF CC(C)c1nn(C)c2c1[C@](C)(Cn1cc(Br)cn1)NCC2 962923143 YJBVHEUKVFODCE-HNNXBMFYSA-N 352.280 2.564 0 1 FFAF CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 141969897 XSAYCGVVGASIFW-UHFFFAOYSA-N 357.237 2.716 0 1 FFAF COCC1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 12719101 CBSHANBHKOSSCM-KRWDZBQOSA-N 350.503 2.833 0 3 FFAF CCO[C@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 13308656 PPRSMUWPTLLGMJ-HZCCJMTMSA-N 358.346 2.516 0 1 FFAF endogenous,in-man COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@](C)(c2ccccc2)O1 13517473 SQPIZICZOGTLGX-DYESRHJHSA-N 373.449 2.961 0 1 FFAF CCOC(=O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)c1ccccc1 13807334 SFSXDAXQZZUSLZ-IAGOWNOFSA-N 370.453 2.888 0 1 FFAF Nc1ncc(-c2ccc3c(c2)CC(=O)N3)cc1-c1ccc2c(c1)CCNC2=O 203843742 NPQZYARGISTNHK-UHFFFAOYSA-N 370.412 2.778 0 1 FFAF CC[C@@H]1C=C[C@@H](O)[C@@H](O)CC=Cc2cc(OC)cc(O)c2C(=O)O[C@H]1C 253731730 BBBYYQVMEHVGSS-UWWPHRKUSA-N 362.422 2.667 0 1 FFAF NC(=O)c1cn(-c2ccccn2)c2c1CCc1cnc(NC3CCCC3)nc1-2 64539349 KKCXFNXPIIHRJW-UHFFFAOYSA-N 374.448 2.881 0 1 FFAF Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64526972 TTXDYSSNPNOXIT-UHFFFAOYSA-N 363.826 2.528 0 1 FFAF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356402749 PJMSRJYOTNDEEP-XNHRCUFESA-N 350.499 2.537 0 1 FFAF CC(C)(C)CCN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356518727 ALJSIOPYADJYGY-FQEVSTJZSA-N 357.542 2.694 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1OC(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356712057 OAHMLWQISGEXBB-FJIDUMEYSA-N 366.454 2.754 0 1 FFAF C/C=C(\CCO)C(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 85594699 SMNSOYCWHNOSGA-XAANGBPESA-N 358.390 2.747 0 1 FFAF biogenic,in-vitro CCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205196 PBAHFLCTTMXQIX-INIZCTEOSA-N 356.470 2.525 0 1 FFAF CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12 147348969 AZIQJROHYNFOFX-UHFFFAOYSA-N 361.493 2.682 0 1 FFAF CN1CCN(c2ccc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3c2)CC1 141170695 IYPYRPBLZGWUMM-UHFFFAOYSA-N 350.401 2.997 0 1 FFAF CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C 299860922 JYYABIOWHKEGMH-UHFFFAOYSA-N 357.439 2.500 0 1 FFAF Cc1ccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1 473128458 BSIBVUATPIYADV-UHFFFAOYSA-N 350.422 2.892 0 1 FFAF O=c1nc(O)c(F)cn1Cc1nc2ccccc2n1Cc1cccc(F)c1 653817001 QHWYFXUBOUAUTE-UHFFFAOYSA-N 368.343 2.673 0 1 FFAF O=C(O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586922482 OXCCMPODORTZKL-UHFFFAOYSA-N 370.430 2.766 0 1 FFAF CCC[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C 587956289 QRKMMQRIGYTYFZ-KRWDZBQOSA-N 372.513 2.853 0 1 FFAF NS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068074 GUXOLPZCZPVTJN-UHFFFAOYSA-N 373.825 2.921 0 1 FFAF CCn1cc(Br)c(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 587000845 SKKXFTOVKGOOIS-UHFFFAOYSA-N 361.203 2.715 0 1 FFAF COC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 587091967 POWYKEWKQBOSFK-UHFFFAOYSA-N 352.272 2.748 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 586936692 JNOOBMGOOMJOCI-ZDUSSCGKSA-N 365.846 2.682 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC(=O)NC[C@@H]3C2)N1 587791143 FNXMHLZOFZRGPY-OFVQYIOZSA-N 367.262 2.864 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1Cl 587065440 QOVAHVMXZBAJIX-UHFFFAOYSA-N 350.762 2.800 0 1 FFAF CN(C)CCOc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587129430 YYTQWMLPFMRQTK-UHFFFAOYSA-N 373.367 2.546 0 1 FFAF C[C@@]1(c2ccc3oc(N)nc3c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230910 QUHJDXPIFKCGJF-UTKZUKDTSA-N 374.400 2.821 0 1 FFAF CCOC(=O)C(=O)[C@@H]1COCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963115646 AMHDOPSPFXBLCQ-GUYCJALGSA-N 372.248 2.503 0 1 FFAF COc1cc(/C=C/c2ccc(OC(=O)C(C)(CO)CO)cc2)cc(OC)c1 213889488 KGSKZXOKYMAAEW-SNAWJCMRSA-N 372.417 2.771 0 1 FFAF CCc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1 225935382 MXDWGKFISZYZNE-UHFFFAOYSA-N 350.422 2.996 0 1 FFAF CCCN(CCCCN1CCOCC1)[C@H]1COc2cccc(OC)c2C1 13737122 LUDDDWQEQCANFX-GOSISDBHSA-N 362.514 2.823 0 1 FFAF CCc1cc(CNC(=O)c2ccc(OC)c(O[C@H]3CCCN(C)C3)c2)on1 169332648 CGPPGWMYQAGGMI-INIZCTEOSA-N 373.453 2.649 0 3 FFAF COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1 204184633 LPIURRCMOMHEIK-UHFFFAOYSA-N 360.377 2.642 0 1 FFAF CCc1ccc(-n2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)nn2)cc1 1857571377 ICGUUFJVWRPQAA-UHFFFAOYSA-N 373.416 2.810 0 1 FFAF COc1ccc(CCCCCCSC[C@@](O)(CC(=O)O)C(=O)O)cc1 13758261 JCNDJKCLQGXULO-SFHVURJKSA-N 370.467 2.822 0 1 FFAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NC[C@@H](O)CO 776343 CQFKCRAJNSRYBE-SNVBAGLBSA-N 370.808 2.515 0 1 FFAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)Nc1ccccc1 2356316334 XFZLBUZZVUKTDB-WNWCJCMHSA-N 361.482 2.562 0 1 FFAF O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)COc1ccc(F)cc1 29484893 ZYFLOWWLVRPERS-LJQANCHMSA-N 362.420 2.917 0 1 FFAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccs2)c1 116578421 AWMQPSFXZOVENJ-UHFFFAOYSA-N 351.428 2.707 0 1 FFAF Cn1cc(CNC(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)c2ccccc21 28710338 JIEOEIZSHKALAP-SOFGYWHQSA-N 360.417 2.788 0 1 FFAF C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC(c2cc(=O)[nH]cn2)CC1 23310535 FZJJFKBXQUGHTQ-AWEZNQCLSA-N 355.438 2.557 0 1 FFAF CSc1n[nH]c(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1 29037204 RIPIPRQPCXZJSL-UHFFFAOYSA-N 354.439 2.973 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 2356442590 JDVAFOKXJXFBCK-ZJOUEHCJSA-N 370.424 2.669 0 1 FFAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3C(=CC=CC(C)(C)O)COC(=O)[C@H]31)C2 2356567021 CUFNSNQMTXWTPT-DWXZBXMZSA-N 364.482 2.759 0 1 FFAF Cc1n[nH]c2c1[C@H](c1cnn(-c3ccccc3)c1Cl)C1=C(COC1=O)N2 28891303 WFMYQLIGPIJPRV-AWEZNQCLSA-N 367.796 2.926 0 1 FFAF O=C(CCOc1nonc1-c1ccccc1)Oc1ccccc1C(=O)O 72118115 JARKRAGIWHQAEQ-UHFFFAOYSA-N 354.318 2.809 0 1 FFAF CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N(C)Cc1ccccc1 36388093 PIFVIRXDVZEHSD-UHFFFAOYSA-N 362.433 2.954 0 3 FFAF CCCC[C@@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40379131 WPARLJDTEVDECR-UKRRQHHQSA-N 366.849 2.827 0 1 FFAF COC(=O)[C@@H]1[C@@H](O)CC=C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 238763089 YNBUWOBJOATOHI-WNHJNPCNSA-N 352.434 2.567 0 1 FFAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 95600051 FSEFTGPYDVNYGC-GOSISDBHSA-N 357.431 2.922 0 3 FFAF CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@@H]32)nc2ccccc21 618014465 QQSOZAOOQPVZMP-HEHGZKQESA-N 369.469 2.539 0 1 FFAF NC(=O)C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCCCC1 299833531 PTUCJXHARUWQFF-AWEZNQCLSA-N 369.259 2.521 0 1 FFAF COc1cc(-c2ccc(NC(N)=S)c(OC)c2)ccc1NC(N)=S 653778451 OZWADKUIKOLUQO-UHFFFAOYSA-N 362.480 2.682 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC)ncc3[nH]2)c1 586930153 GQFCXSRBARAVIW-UHFFFAOYSA-N 360.439 2.664 0 1 FFAF O=C(CCC(=O)n1ncc2ccc(Cl)cc2c1=O)NCc1ccccc1 587652031 JQOFEUUHBZUKAV-UHFFFAOYSA-N 369.808 2.787 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC3 587558858 UTONZLAPNINHAA-NVXWUHKLSA-N 362.433 2.988 0 1 FFAF C[C@H](Oc1ccccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32)C(=O)O 963032769 SPUUZGCJCUMQTN-QAJFTPDKSA-N 366.417 2.681 0 1 FFAF C[C@]1(c2ccc(N)c(N)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970999 RZEHMFYGMGQLPM-CXAGYDPISA-N 367.783 2.645 0 1 FFAF COC(=O)[C@]1(CC(=O)C(C)C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962641265 ZPDSXTJHGCCRSJ-RBZFPXEDSA-N 363.454 2.564 0 1 FFAF Cc1c[nH]c(CN2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1 12447205 KASKKXHHFNIFMZ-FQEVSTJZSA-N 356.445 2.872 0 1 FFAF CCOC(=O)c1noc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 169310168 RFIPMQVNIPVVJZ-UHFFFAOYSA-N 374.393 2.584 0 1 FFAF C[C@]1(O)CCN(Cc2ccncc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288476 DZYCLQIUDITBAR-VWPQPMDRSA-N 365.477 2.674 0 1 FFAF Cc1cccc(CCNC(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)c1 103710496 IIAKFHCEGZCUJT-UHFFFAOYSA-N 374.444 2.805 0 3 FFAF COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc(C(C)(C)C)cc2)c1 29318639 GKWPVMKLKRXJON-UHFFFAOYSA-N 352.398 2.820 0 1 FFAF C[C@H]1C=CC[C@H](COC(=O)C(C)(C)C)[C@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O 27560145 ZDGYEYUTPNFUFZ-UTSKFRMZSA-N 370.486 2.771 0 1 FFAF CO[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)CNCCS(=O)(=O)O)C2(C)C 2356414077 OMVQPKQKZVZTMM-ZUBXJJBOSA-N 373.559 2.967 0 1 FFAF CC1=CC[C@H]2C[C@@H](OC(=O)[C@@H]2C)[C@](C)(O)CCC[C@](C)(O)CC[C@H]1O 2356781033 HMIGUDSITFEJTO-GHSJJHLASA-N 354.487 2.718 0 1 FFAF CN(CCO)c1c(Br)cccc1Nc1ncnc2ccncc12 29133507 FPGJWVXUENTRSF-UHFFFAOYSA-N 374.242 2.959 0 1 FFAF CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC[C@@](C)(O)C[C@@H]2OC1=O)O3 40421086 KOVBJQMWCQXYHR-PYHLOPSQSA-N 352.471 2.878 0 1 FFAF C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O 14814785 RTLORDLGFCTXOX-GCHCVLMDSA-N 372.417 2.570 0 1 FFAF biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@@]2(O)CN12 85547790 YXDQYQYESXZUJA-SVWSVNDESA-N 354.494 2.916 0 1 FFAF biogenic,in-vitro CN(C)C(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459671 QXCKXOXHXGSZPJ-MRXNPFEDSA-N 360.797 2.537 0 1 FFAF COc1ccc(OC)c(CNc2ncnc3c2ncn3[C@H]2CCCO2)c1 40916294 ALVFLAHXLRWIRY-OAHLLOKOSA-N 355.398 2.765 0 1 FFAF NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 143359058 UYRJVXFLOTWSEY-SFHVURJKSA-N 373.334 2.814 0 1 FFAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 238731771 HKSGHIIBMAMKKZ-NZTACGCQSA-N 350.499 2.537 0 1 FFAF COc1cc([C@H]2O[C@H](O)[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O 299838819 REZVXIYYURPOSL-WQSUONLVSA-N 374.389 2.509 0 1 FFAF CCOC(=O)Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587777321 CSCHZSUUFXPQTP-UHFFFAOYSA-N 355.188 2.608 0 1 FFAF C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586894045 YMKAIFMFXFXAOD-JTQLQIEISA-N 365.842 2.940 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586946466 YMFWHHPRYZEEEL-UHFFFAOYSA-N 359.329 2.598 0 1 FFAF CS(=O)(=O)N1CCC[C@@H]1[C@@H](O)Cn1c2ccccc2c2ccccc21 148391808 FWZDIPOPXIIHLD-MOPGFXCFSA-N 358.463 2.579 0 1 FFAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(=N)nc[nH]n12 1772622509 FNCRRUPTIYSVPT-UHFFFAOYSA-N 373.342 2.932 0 1 FFAF CC(C)(C)SC(=O)C[C@H]1NS(=O)(=O)OC[C@H]1Cc1ccccc1 12472514 ASMGDVCRGGCZJF-ZIAGYGMSSA-N 357.497 2.527 0 3 FFAF COc1cccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709257 NYMBFOSYHBPZJC-KSSFIOAISA-N 355.438 2.945 0 1 FFAF COc1ccc(N2C=N[C@@H]3c4c(ncc5c4NCC5)S[C@@H]3C2=O)cc1 207688865 SIUQQICXQVLRLA-CVEARBPZSA-N 352.419 2.649 0 1 FFAF in-vitro COc1ccc2c(c1)c(-c1c[nH]c(=N)[nH]1)cn2S(=O)(=O)c1ccccc1 1857534364 UXNLYMSGCXORLN-UHFFFAOYSA-N 368.418 2.690 0 1 FFAF COc1ccccc1CN1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356300783 XXWVGDOXZWULEM-WMLDXEAASA-N 356.401 2.706 0 1 FFAF C[C@H]1CCc2nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)nc(C(F)(F)F)c2C1 101078383 HNXFHWAPCAKKHP-IOPHSANRSA-N 374.384 2.795 0 1 FFAF COc1ccc(C2=NN(CCN(C)C)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26566960 XBAAJWHLDYXCQR-HZPDHXFCSA-N 359.470 2.618 0 1 FFAF O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccnc2)no1 20489211 BCTFALVDKKMXDB-UHFFFAOYSA-N 368.437 2.847 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1 26393917 VVMIGQKQSFISBB-UHFFFAOYSA-N 358.371 2.694 0 1 FFAF COc1cc([C@@H]2Oc3ccc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1OC 72172189 FKFHXYWDVKLRMA-CGJGEUGISA-N 372.417 2.928 0 1 FFAF COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(OC)c3)oc2c1 13838630 BHTRHOOJYLEZRA-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NCCc3ccccc32)C1 49590521 WYDCDWZPWHOLMQ-HOTGVXAUSA-N 357.454 2.564 0 1 FFAF CN(C)C(=O)[C@H]1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21 40429412 ZUCLPYSGDNZUOF-KRWDZBQOSA-N 350.466 2.778 0 1 FFAF COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O 238747226 ZNNJYKFHWZLLTN-DLTADMCBSA-N 364.482 2.596 0 1 FFAF C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CCC[C@H]2C)O1 96019149 KORCKUMNTYBUJB-ZIAGYGMSSA-N 350.484 2.999 0 3 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 586962661 ULBWSMIRMDGFDK-MRVPVSSYSA-N 359.411 2.655 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 587772455 VNRGWILFJKEGKC-KJRKLUQNSA-N 369.278 2.545 0 1 FFAF COC(=O)c1noc(C)c1[C@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634640 LAGQJNXHCCBVTK-OVWNDWIMSA-N 360.410 2.585 0 1 FFAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCc3n[nH]cc32)N1 963189693 NAQPPSGSDYEJFF-HIFRSBDPSA-N 371.746 2.871 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)C[C@@H]2O 14930693 DPVUITDUDZIAQO-OLZOCXBDSA-N 357.406 2.661 0 1 FFAF biogenic Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(F)cc3)C(=O)C[C@@H]12 206391184 HQAOOACBKJBMQX-MRXNPFEDSA-N 366.392 2.782 0 3 FFAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1 203540753 QTVGNPXEBWPNEP-CYBMUJFWSA-N 372.375 2.788 0 1 FFAF CCN1CCN(c2cc(Nc3ncc(-c4cccnc4)s3)ncn2)CC1 1857595631 UIQSAGDIWAQLGZ-UHFFFAOYSA-N 367.482 2.881 0 1 FFAF C=C(c1ccc2c(c1)c1cc(F)ccc1n2C)c1cn(C)c(=O)n(C)c1=O 1857619349 MTWZAQIQSSJGBS-UHFFFAOYSA-N 363.392 2.930 0 1 FFAF COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC 3896300 HVRDEPLCFBDXSG-UHFFFAOYSA-N 362.329 2.583 0 3 FFAF CCCc1nc(NC[C@H]2CCCO2)c2nnn(Cc3ccccc3)c2n1 4966716 PMBJIUGNDMKQCA-OAHLLOKOSA-N 352.442 2.813 0 3 FFAF O=C(CCC(=O)N1CCSc2ncccc21)NCCc1cccs1 20565008 YSNFLDZODJZODO-UHFFFAOYSA-N 361.492 2.721 0 1 FFAF COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cn1 103260625 CWSMIDDZDWUJJY-UHFFFAOYSA-N 351.410 2.868 0 1 FFAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)cc1 114344910 OHUFXMWOWSOHFW-INIZCTEOSA-N 353.401 2.583 0 1 FFAF COC(=O)C=Cc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 2356746487 ZYGRRQHXBIRCRU-UHFFFAOYSA-N 354.314 2.763 0 1 FFAF Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 598472 CHUHMZZQHYOKBF-UHFFFAOYSA-N 365.389 2.641 0 1 FFAF biogenic,in-vivo CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 34435064 YPVJSAYFTDREBJ-ADEJXDBKSA-N 362.466 2.960 0 1 FFAF biogenic,in-vitro CN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1 73158493 PELNBHNZKPUKKD-UHFFFAOYSA-N 351.332 2.729 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(N)=O)C2)cs1 82069542 IRHRSEJFNFTJGG-LBPRGKRZSA-N 359.451 2.546 0 1 FFAF CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(N)=O)co2)cc1 82073839 UDWJSHALIQCSLV-UHFFFAOYSA-N 359.426 2.858 0 1 FFAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CCO[C@]425)CC[C@H]13 238733123 OZHFIQIIDYNXAD-NRDMVMEKSA-N 354.450 2.761 0 1 FFAF Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 149782586 RTXIZQIIOLWLRO-FQEVSTJZSA-N 356.441 2.968 0 1 FFAF CC(C)CNC(=O)/C=C/c1cc(I)c2c(c1)OCO2 147971967 ONGMVYODTHIDLO-ONEGZZNKSA-N 373.190 2.805 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(Cc3ccccn3)[C@H]2CO)cc1 95894999 ZOZCRGVIGAMXOJ-ZRPJRGCSSA-N 365.477 2.580 0 1 FFAF CC1(C)Oc2ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@@H]1O 31168590 NEOCUCNBPRDPIK-AEFFLSMTSA-N 356.374 2.879 0 1 FFAF biogenic CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C(=O)C(=O)OCC)CC2=O 587479431 IISCSZXRMLYIKB-JLTOFOAXSA-N 360.406 2.981 0 1 FFAF COC(=O)/C(=C\c1ccccc1Cl)c1ccc2c(O)nc(O)nc2n1 587369287 YPOLBCPPDIQEBM-FLIBITNWSA-N 357.753 2.803 0 1 FFAF C[C@H]1CCCN(c2ccc(N)c(-c3ccc4c(O)nc(O)nc4n3)c2)C1 587557471 IJMZSFWTMAYRET-NSHDSACASA-N 351.410 2.922 0 1 FFAF CCN1C=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 587770513 CXLQMALXGQUWMJ-QFYYESIMSA-N 352.251 2.967 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(O)O 587614713 SUTMMXZQFHDXKY-DNVCBOLYSA-N 370.382 2.622 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 586939382 NQMQPCCVYVAXMY-CYBMUJFWSA-N 373.478 2.842 0 1 FFAF COC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793254 NBFYYYKWIBXVML-VFZGTOFNSA-N 360.223 2.527 0 1 FFAF C[C@]1([C@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597863 WQKGUZSBTDJCMJ-ZSOFBXJNSA-N 353.374 2.639 0 1 FFAF Clc1ncc2nc(-c3cncc(I)c3)nc-2[nH]1 587185896 YEVQEOBQVUKSTI-UHFFFAOYSA-N 357.542 2.625 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@](C)(N)C3)cc21 5929814 SYQVDGICCHUKDZ-IBGZPJMESA-N 361.417 2.521 0 1 FFAF CN1CCC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O 12075623 FMXYJXWFDOJFQQ-IBGZPJMESA-N 358.873 2.970 0 1 FFAF CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2cnccn2)C1 12315949 APVWWOHIBYIQRA-FQEVSTJZSA-N 352.482 2.575 0 1 FFAF COc1cc(O)c2c(c1)/C=C/CC[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O 203452848 OZWMOQDGIWAGRK-MYQOSMBCSA-N 350.411 2.645 0 1 FFAF CCC[C@@H]1c2c(nc3c(c2N)CCCC3)-n2c(=O)c3ccccc3c(=O)n21 1857640762 BSRJYCLMXUYJMR-MRXNPFEDSA-N 362.433 2.711 0 1 FFAF Nc1nc(N)c2c(S(=O)(=O)c3ccc4ccccc4c3)cccc2n1 25968009 GVFOXCQJLIDWKA-UHFFFAOYSA-N 350.403 2.780 0 1 FFAF O=c1[nH]c2ccccc2n1CCCCN1CCN(c2ccccc2)CC1 40917854 RBFHCAHIEQNMRT-UHFFFAOYSA-N 350.466 2.932 0 1 FFAF COc1ccccc1CNC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 770249 QDVGAOAPIWLCBR-NRFANRHFSA-N 367.449 2.818 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)CC[C@]1(C)O 2356289230 RRIHQSNLTJIVGZ-SBHAEUEKSA-N 370.424 2.669 0 1 FFAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2ccccc2-n2nncc2C1 61924176 RFURLOKKPDSGSO-UHFFFAOYSA-N 360.826 2.625 0 3 FFAF CCOC(=O)CC[C@@H](COC(C)=O)c1ccc(OC(C)=O)c(OC)c1 2356497652 UNBDMQZMNMPJLL-HNNXBMFYSA-N 352.383 2.611 0 1 FFAF c1cc2c(cc1-c1nnc(CN3CCN(C4CCCCC4)CC3)o1)OCO2 20177834 BHNPTPXHTGHFCD-UHFFFAOYSA-N 370.453 2.916 0 1 FFAF Cn1nc(C2CC2)cc1NC(=O)[C@@]1(C)CCN1C(=O)CCc1ccccc1 61903392 AKVNMNBVILUOOW-OAQYLSRUSA-N 366.465 2.860 0 3 FFAF Cc1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 33505291 DRICLRZTFTWYHP-HKUMRIAESA-N 366.628 2.521 0 1 FFAF CN1Cc2ccccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 72124266 FMXWVYWEWRLGDS-UHFFFAOYSA-N 360.465 2.992 0 1 FFAF COc1cccc(Cn2cnc3sc(-c4ccc(=N)[nH]c4)cc3c2=O)c1 1911570499 CZPUMSUFEFILLS-UHFFFAOYSA-N 364.430 2.989 0 1 FFAF COc1cccc(S(=O)(=O)n2ccc3cc4c(cc32)CCNCC4)c1 40917277 XPTXBBCZWWFNRD-UHFFFAOYSA-N 356.447 2.575 0 1 FFAF COc1cc(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc(O)c1OC 138103977 DEPZPOJPNYKMPT-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCOC1=O 40393608 MPBHYAGAWNMEHP-JTQLQIEISA-N 355.234 2.698 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)NCC(=O)N2CCCCC2)cs1 82072217 QKVHMDMXBGHXPQ-UHFFFAOYSA-N 373.478 2.951 0 1 FFAF COc1ccc(CCCN[C@H]2CCCC[C@H]2N2CCOCC2)cc1OC 142261837 VCXYAFYYEPQPBY-RBUKOAKNSA-N 362.514 2.869 0 1 FFAF COc1ccc([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 98085792 YIOSTDZDYFFVHN-WQYLNYGWSA-N 364.438 2.621 0 1 FFAF COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401324 WEECJBZVZFLOFS-NRFANRHFSA-N 367.401 2.879 0 1 FFAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(CCC(=O)O)c1O 587946211 UMFVICQHSNHEBJ-LBPRGKRZSA-N 356.281 2.539 0 1 FFAF COc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 587196614 AFYRVLUSGLODAX-GFCCVEGCSA-N 362.430 2.883 0 1 FFAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587156102 VKSMSYWJOIQGDI-UHFFFAOYSA-N 372.175 2.773 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587226236 XHMSYKRPXXUTDG-UHFFFAOYSA-N 361.452 2.572 0 1 FFAF COc1cc2c3c(c1)O[C@@](C(=O)OC(C)(C)C)(C1=COCC1)[C@@H](C2)C3=O 587454892 ZFRDGQNLBVHNMG-XOBRGWDASA-N 358.390 2.827 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(Sc4nc[nH]n4)o3)c3cccc1c32 963026845 NIHVJBLLXYHCDQ-DYZYQPBXSA-N 367.434 2.692 0 1 FFAF COC(=O)c1noc(C)c1[C@]1(C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962628726 QDPUPLQYWNAPLC-PRWKNARSSA-N 374.437 2.927 0 1 FFAF O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F 12431792 WOPJXSBMRTZTCK-INIZCTEOSA-N 370.428 2.518 0 3 FFAF O=C(OCCc1ccccc1O)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833618 BVLVRPNVGVROIP-UHFFFAOYSA-N 359.765 2.992 0 1 FFAF O=S1(=O)c2ccccc2-c2ccc(N3CCN4CCC3CC4)c(F)c21 169308799 BKRDDYIAVADMIJ-UHFFFAOYSA-N 358.438 2.923 0 1 FFAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NC[C@@H](O)CO 776295 XLIUMQYXZLWZAQ-CQSZACIVSA-N 368.433 2.875 0 1 FFAF O=C1Nc2ccccc2[C@@](O)(C(=O)NCc2ccco2)N1c1ccccc1 3066045 PNZGRMCSWXYGRE-HXUWFJFHSA-N 363.373 2.793 0 3 FFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048989 LTPRHQFXAUPTQK-ZTNFWEORSA-N 351.450 2.845 0 1 FFAF CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1N 6403763 ZXXHXCNDCYTUOP-UHFFFAOYSA-N 363.222 2.791 0 1 FFAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@@H](C)N1 103282151 FUKRPRFEHOSVRT-BETUJISGSA-N 357.454 2.641 0 1 FFAF COC(=O)CCc1ccc(OC[C@H](O)CNCCCc2ccccc2)cc1 29209584 JUDBSYZJQOLZKA-HXUWFJFHSA-N 371.477 2.754 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCC[C@@H](O)C4)ncc23)ccn1 219750468 MVQYPJSRJIWGSQ-ZIAGYGMSSA-N 366.425 2.753 0 1 FFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1nccn1C 223425150 YNJSOFSKQGYIDB-UHFFFAOYSA-N 358.405 2.620 0 1 FFAF COC(=O)CCCC(=O)Nc1ccc2c(Cl)c(OC)oc(=O)c2c1 40466428 VWSFRFPOZBDBOE-UHFFFAOYSA-N 353.758 2.737 0 1 FFAF COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@@H]2[C@@H]1Nc1ccccc1N2C 227219340 IBBLLPWOXOMSSW-GUDVDZBRSA-N 351.406 2.504 0 1 FFAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1 96938253 BMIMUHWRGBMVCA-UHFFFAOYSA-N 374.400 2.800 0 1 FFAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1ccc(N2CCOCC2)cc1 230479200 LUJVKDIVWJMRBA-GXOAENINSA-N 372.490 2.827 0 1 FFAF O=S(=O)(c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1)N1CCOCC1 586900607 BVKJUSSONADGJR-UHFFFAOYSA-N 373.434 2.721 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COC1CCOCC1 587612466 UVYCSCUALXAMIY-QZTJIDSGSA-N 356.374 2.918 0 1 FFAF CCn1ccc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432172 ORAQYYMPQNUOFO-MQAOWZJSSA-N 353.422 2.630 0 1 FFAF N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOC1 587247229 NBTVWCKFNGSMCO-LLVKDONJSA-N 350.138 2.919 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cnn(C)c1)CC2=O 587479105 YOBUQFVGESFDRL-HXUWFJFHSA-N 372.421 2.892 0 1 FFAF Cc1c(-c2nc3cccc(C(N)=O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073144 CVWJUEMPPFNTBA-UHFFFAOYSA-N 366.812 2.930 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccnc2)N1 587776964 ZIJXSTZYYKQZDE-XXFAHNHDSA-N 365.202 2.846 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)nc(S)n2)N1 587842511 FZGRNCYFTCHGCS-DAZKTRTLSA-N 370.247 2.996 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587858459 QUUMKQRYUQKKBO-ZBVHDKTDSA-N 374.275 2.996 0 1 FFAF Cc1ccc(NC(=O)CSCCc2nc3cccc(C(N)=O)c3[nH]2)cc1 586969917 BHQXZZUXXQBCED-UHFFFAOYSA-N 368.462 2.885 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2ncc(Br)cc2[nH]1 586967319 UFGKXSDGTADYEX-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=CC=CN3C=CN[C@@H]13)N(C)[C@@H](C)C2 962617272 BZKZTJQXKINKDY-DLPLYFIVSA-N 353.466 2.952 0 1 FFAF CC(C)c1cc2c3c(c1O)OC(=O)C[C@@]3(C)[C@@H]1[C@@H](OC(=O)C1(C)C)C2=O 5721711 BRVFBXOJAHGUQS-SQGPQFPESA-N 358.390 2.847 0 1 FFAF biogenic,in-vitro Nc1nn(COCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12 13674804 SNBBESJUFORHKB-UHFFFAOYSA-N 361.405 2.709 0 1 FFAF COc1ccc(OC)c(CN(C(=O)Nc2ccc(C)cc2)n2cnnc2)c1 1857637075 BYQIFHGFQUOCAD-UHFFFAOYSA-N 367.409 2.974 0 1 FFAF CC[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O 1361925 KEGWPWFYKXQYCG-INIZCTEOSA-N 370.405 2.847 0 3 FFAF CCCCN(C)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O 6802317 UNBOYKGDDANPNA-UHFFFAOYSA-N 364.449 2.641 0 1 FFAF Cc1nn([C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807368 RGBFTQMMGMUVDU-OBJOEFQTSA-N 356.426 2.807 0 1 FFAF Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)[nH]cc-3c2c1 100609981 UPNJBOFRBVYGBL-OKILXGFUSA-N 352.438 2.642 0 3 FFAF CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC 100251627 XEGGZNIJBOUOJD-CVEARBPZSA-N 372.425 2.950 0 1 FFAF COc1c2c(cc3c1-c1cccc(=O)cc1[C@@H](NC(C)=O)CC3)OCO2 27766322 OLDXZIUOFZUYKG-INIZCTEOSA-N 353.374 2.575 0 1 FFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 68204702 IGCWHAZMGYJLQW-JTQLQIEISA-N 367.392 2.548 0 1 FFAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CCC(C)(C)C)CC1 61936100 ZGAKKXXDDSEZHD-KRWDZBQOSA-N 351.535 2.508 0 3 FFAF Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccccc1Cl 38249026 AVIOUBLZXHFINY-UHFFFAOYSA-N 364.810 2.862 0 1 FFAF COC(=O)C1=C[C@]23C[C@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 85846431 WWKLZOFMEXWTLT-VGGSTGEDSA-N 362.466 2.861 0 1 FFAF COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 149207444 MBZUZSSPUFLUTF-UHFFFAOYSA-N 362.433 2.593 0 1 FFAF COc1ccc(C(=O)C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC 95602050 FWCPHOOWTZJEOR-UHFFFAOYSA-N 368.433 2.544 0 3 FFAF COc1ccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)cc1 95603190 BMASJJOJXPLURJ-NRFANRHFSA-N 365.433 2.905 0 1 FFAF C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661852 OEBXSARLGHODSC-WMLDXEAASA-N 362.470 2.952 0 1 FFAF CC1=C[C@@H](c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1 473128118 YLNMTWJLWGZRCK-SFHVURJKSA-N 359.433 2.926 0 1 FFAF C=CN1CC[C@H]([C@@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587450992 HOPAAVHJVHVZSP-IQUTYRLHSA-N 359.447 2.536 0 1 FFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586880638 AJRYDXIUMBTAPF-UHFFFAOYSA-N 372.402 2.738 0 1 FFAF CN(C)C(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025296 KROCSWWATHFSFS-UHFFFAOYSA-N 351.482 2.697 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cnc1N)[C@@H](C2)C3=O 587420645 YMXOGNAWELBGMU-ZUZCIYMTSA-N 361.195 2.924 0 1 FFAF N[C@H](N=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008822 PDWOOKFUKMDERG-GFCCVEGCSA-N 372.186 2.759 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccn2C)N1 587757388 VHZMFKPXIASSEC-ABKXIKBNSA-N 367.218 2.789 0 1 FFAF C[C@@]1(c2cccnc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962701497 RDMOLYQTHXMNCM-CJNGLKHVSA-N 370.302 2.808 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 1772627694 CUFGRZNMLVUISH-OAHLLOKOSA-N 354.414 2.899 0 1 FFAF COC1CN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 1772653626 HMWNPTVCTIKMBB-GFCCVEGCSA-N 366.425 2.676 0 1 FFAF Cc1nc(CC(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)cs1 11996512 JTCDXIUPMMNKBL-MRXNPFEDSA-N 366.446 2.571 0 1 FFAF CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1cccc(OC)c1 12478849 KBXTXMFFBODFKM-INIZCTEOSA-N 361.419 2.898 0 3 FFAF COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 13604636 SWOCNAZMBQHTAS-DLBZAZTESA-N 373.380 2.615 0 1 FFAF COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]2)cc1 169306772 JBYFJUSRZLGWCK-UHFFFAOYSA-N 361.448 2.858 0 1 FFAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(NC(=N)N)cc1 1857573374 LEIXJHOCVLBLCX-CYBMUJFWSA-N 362.437 2.883 0 1 FFAF COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(C)=O)c1 1857652053 OZVOVAQMVMRYBP-KRWDZBQOSA-N 356.378 2.786 0 1 FFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@H]3CCc4n[nH]cc4C3)nc12 1857752096 QYHDMAJURANCPL-HNNXBMFYSA-N 362.412 2.958 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356343443 OYPPJMLKAYYWHH-JNIAIEOXSA-N 368.470 2.545 0 1 FFAF COc1ccc(NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 3640397 HOFGJNIUBPELBO-OXFYSEKESA-N 352.390 2.662 0 1 FFAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 103918963 RGXKJLTVROJBKZ-TWXWMWOVSA-N 354.450 2.815 0 1 FFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(Br)c1 104000731 CDPOUXDVLDVDLI-KPMWUXBGSA-N 350.176 2.547 0 1 FFAF COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1 27618743 CZLCNTMZJGFNGW-INIZCTEOSA-N 370.430 2.519 0 1 FFAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@@H](c1ccccc1)O3 28867323 PBRZNITWPNRFBK-SFHVURJKSA-N 365.433 2.903 0 1 FFAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H](OC(=O)[C@@H]2O)O1 2356464477 LHLNSAQPWLVQGX-NZEYMJGSSA-N 374.550 2.769 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@H]3C[C@@H]12 2356570603 PEYPCTZOXFDFFW-OYFCVODCSA-N 354.450 2.750 0 1 FFAF O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccn2)CC1 40916731 QPPNZGHQAPFXOG-UHFFFAOYSA-N 364.493 2.682 0 1 FFAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207635 UBCPYEFPYCMDDY-HNNXBMFYSA-N 356.344 2.570 0 3 FFAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccsc3)c(=O)n21 82210979 OQIZLZQYSNZJKV-CYBMUJFWSA-N 368.462 2.718 0 1 FFAF CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3cccc(C)c3)n2)c1 198535947 OAOOXDDVWWZKSJ-UHFFFAOYSA-N 370.438 2.575 0 1 FFAF Cn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21 145259607 GVZZEAPBOBILMV-GOSISDBHSA-N 359.813 2.679 0 1 FFAF CCS(=O)(=O)NCc1cncc(-c2cc3cnc(Cl)cc3n2C)c1 149720829 XCNJEZSMUUVBPP-UHFFFAOYSA-N 364.858 2.728 0 1 FFAF CCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 261164747 RPQBBMRWRGCDDO-KSSFIOAISA-N 370.453 2.730 0 1 FFAF CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440029 YRZHDNSIDIXKCD-XCLFUZPHSA-N 369.373 2.913 0 1 FFAF COC(=O)[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990284 BZMKQRMSOMIMNZ-QGZVFWFLSA-N 361.353 2.997 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240796 WZTYQFOMDADDGA-KLRAXDNASA-N 373.457 2.908 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)CC2=O 587489416 NLUJZMRUEBBWRD-VARDARPISA-N 362.378 2.634 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(N)cccc3O)[nH]c2c1 587251126 ZNVFQCSUASDEEJ-UHFFFAOYSA-N 360.439 2.548 0 1 FFAF COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587783345 PDQZZSGZXSDHBQ-SSDOTTSWSA-N 355.188 2.765 0 1 FFAF COc1cccc(S(=O)(=O)/N=c2\sc(C(C)(C)C)c(C)n2C)c1 14944734 OFMGTGOWXRBPJQ-ICFOKQHNSA-N 354.497 2.991 0 1 FFAF O=C(N[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165964481 BQLKIEAFUFXATC-GOSISDBHSA-N 351.406 2.753 0 1 FFAF Brc1ccc(Cn2cc(Cn3ccc4cncnc43)nn2)cc1 1857609704 OPIVCLPNFNNTAR-UHFFFAOYSA-N 369.226 2.882 0 1 FFAF COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1857762245 WJUIQPFXOLJMRT-INIZCTEOSA-N 372.377 2.519 0 1 FFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 768576 BNPBVBSGOADZPG-UXLLHSPISA-N 362.813 2.912 0 1 FFAF Cc1ccc(C)c(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1 116822796 ZSFLBBUZWXXXKC-ROUUACIJSA-N 350.466 2.919 0 1 FFAF c1cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)ccc1C1=NCCN1 28644207 BEKBFLRNDJCHGC-UHFFFAOYSA-N 357.417 2.708 0 1 FFAF CC(C)(C)NC(=O)N1CCn2c(F)c(-c3ccccc3)c(C(N)=O)c2C1 112973661 QGRVKAUCBQJBPA-UHFFFAOYSA-N 358.417 2.717 0 1 FFAF CNCCc1cc(Br)c(OCCCN)c(Br)c1 14594680 UBKAPQUGBMVSBC-UHFFFAOYSA-N 366.097 2.701 0 1 FFAF biogenic CCOc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1 72183668 UKLZPZMYKWVZIQ-UHFFFAOYSA-N 365.437 2.853 0 1 FFAF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Br)cc1 71341166 WYOAADXIFMPPMO-CJNGLKHVSA-N 367.195 2.553 0 1 FFAF Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 74378094 WTDDYJLBNVEFFU-QZTJIDSGSA-N 356.447 2.727 0 3 FFAF O=C(O)c1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40828335 OPURQRDIBOFOLY-HNNXBMFYSA-N 363.373 2.965 0 1 FFAF CC(C)CC(=O)NC(=O)c1c[nH]c(/C=C/CC/C=C/C=C/C(=O)O)cc1=O 238786403 IBYSWVIXXYFGCG-FCGWLDPVSA-N 372.421 2.668 0 1 FFAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1CSCC[C@H]1N=C2 140077635 MPEKCHDBHNYAJG-CHWSQXEVSA-N 351.378 2.789 0 1 FFAF OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1SCc3ccccc3CN12 95784808 NMEFFSAHNCZEJK-POAQFYNOSA-N 368.458 2.536 0 1 FFAF c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@@H]2NN=N[C@H]32)cc1 254079915 USZKXDLHMKNUDS-MKXGPGLRSA-N 351.406 2.995 0 1 FFAF CC(C)=CCC/C(C)=C/CNC(=O)CN1[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]1(O)[C@@H]1[C@H]5[C@@H]4[C@@H]21 299814803 FYWWGPDOGSIHKV-NWFVOPSISA-N 368.521 2.556 0 1 FFAF CCc1ccccc1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@H](OC)CC1 299822291 PNKAKGKYAQLZIY-SHTZXODSSA-N 370.453 2.912 0 1 FFAF O=C(O)COCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587563106 LZINMWFYPZGOKT-UHFFFAOYSA-N 369.093 2.825 0 1 FFAF C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596269 QHCPVXCUTFAVFJ-BEFAXECRSA-N 366.329 2.691 0 1 FFAF CCN1C=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 587775468 SSXWGDIILPMRPW-MGPLVRAMSA-N 352.251 2.967 0 1 FFAF Cc1c(-c2cccc(Cl)c2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772576007 LQGVHZFBXIOHIC-UHFFFAOYSA-N 364.854 2.773 0 1 FFAF C[C@@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 13589650 XWTIFODTRQWBGM-CQSZACIVSA-N 360.421 2.729 0 1 FFAF O=C(OCCCc1c[nH]cn1)c1cccc(I)c1 13747344 DJJALMUYLBLGGW-UHFFFAOYSA-N 356.163 2.804 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)[C@H](C)N=O 169713208 NDPJNYXVIMENNG-RYUDHWBXSA-N 370.881 2.916 0 1 FFAF O=C(O)C[C@H]1COc2cc(OCc3cn(-c4ccccc4F)nn3)ccc21 1857552670 DRVHBBCKFARTQS-LBPRGKRZSA-N 369.352 2.936 0 1 FFAF O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccc(O)cc12 2047504 IGOULVZYQKJJKC-UHFFFAOYSA-N 351.314 2.993 0 1 FFAF in-vivo CC(C)[C@@]12CC[C@@]3(O1)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC[C@@]3(O)[C@H]2O 2356332461 FUMZEAQEADDMAG-TVCRJUDQSA-N 352.471 2.727 0 1 FFAF O=C(NCC1CCNCC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118655101 DLNUWZOWSGXCKJ-UHFFFAOYSA-N 356.451 2.726 0 1 FFAF CCNC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 27654959 PWJCHTWRJNFISV-UVFQYZLESA-N 358.438 2.604 0 1 FFAF CC=Cc1cc2c(o1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1O)[C@@H](O)C2 2356717177 JOYCBRUDRSSQCN-MGPUTAFESA-N 372.373 2.748 0 1 FFAF Nn1c(S[C@@H](C(=O)O)c2ccccc2)nc2c([nH]c3ccccc32)c1=O 34648319 JWNSTORYMLUSCU-OAHLLOKOSA-N 366.402 2.510 0 1 FFAF COc1ccc(C(=O)N[C@@H]2CN(CC3CCCCC3)CCC[C@H]2O)cc1 15672052 ILVKZXWWVPBIDB-WOJBJXKFSA-N 360.498 2.831 0 1 FFAF biogenic CCOC(=O)[C@@H](C)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 507041375 XEJBGXVOUQIBDA-NSHDSACASA-N 368.480 2.873 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1 14436788 XWQRPAOBLCGIRQ-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1ccc([C@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)cc1 82152873 ORYZHSKYVITNSQ-LJQANCHMSA-N 354.362 2.706 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@](CO)(OC(C)=O)[C@@H]2Cc1c3[nH]c2ccccc12 238735294 ORKSTZFIQKROIC-PPCSINGXSA-N 352.434 2.710 0 1 FFAF CC(=O)Nc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1 146401306 KLWHEHHBYXFKHV-UHFFFAOYSA-N 354.458 2.752 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)C(=O)C2CC2)cc1 95895498 FCQGTBRXXRMODJ-TVQHQIATSA-N 370.493 2.653 0 1 FFAF COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@@H](O)[C@H]2C 263621325 YZZBBYUVOSVRJT-XFVZQKHTSA-N 350.499 2.680 0 1 FFAF in-vitro Cc1noc(-c2nc(C)c3c(c2N)C(=O)N([C@H](C)c2ccccc2)C3=O)n1 653748021 USBPUPIUEXQZSF-SNVBAGLBSA-N 363.377 2.688 0 1 FFAF COC(=O)Cc1cc(OC)n(-c2c(N)cccc2Br)c1OC 587936154 GEHDCMZPTCEOQC-UHFFFAOYSA-N 369.215 2.555 0 1 FFAF NC(=O)C[C@]1(C(=O)O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508914 GINAJRILUILGFN-SFTDATJTSA-N 371.433 2.790 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 586922438 MRWFPRKKIJOPOF-UHFFFAOYSA-N 362.382 2.785 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(C)(OC)OC)CC2=O 587487392 VREARZVOKVKVRL-IBGZPJMESA-N 366.410 2.621 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@H](c3c(Cl)nc(Cl)n3C)c3cccc1c32 963015190 AERUTHNQIMZWTI-AMIZOPFISA-N 351.237 2.870 0 1 FFAF COC1=CN(c2ccc(F)cc2)C(CO)=C[C@@]12NCCc1c(C)ccnc12 963064597 BCEXOYYHOVBUAZ-OAQYLSRUSA-N 367.424 2.754 0 1 FFAF CCn1ccnc1[C@@H]1C[C@H]2CN(c3ccccc3OC)C(=O)[C@]23CCCN13 12306069 KDKRPWXNOWATJF-WJPUGNRLSA-N 366.465 2.854 0 3 FFAF O=C(CO)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648376 LMHRDOSOBKKYLF-UHFFFAOYSA-N 355.785 2.866 0 1 FFAF CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169343993 XXYXPBFLSNTPKS-RUPBORDLSA-N 369.461 2.529 0 1 FFAF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 169714444 JVYGJTIIBRCFAF-AEFFLSMTSA-N 367.405 2.667 0 1 FFAF NC1=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@H]2c2ccccc2O1 206392422 OWAHPOKTKBOPFY-INIZCTEOSA-N 373.412 2.816 0 3 FFAF C=CC(=O)Nc1cccc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)c1 1857632374 FZOZRKDBOUPIMK-OAQYLSRUSA-N 361.401 2.987 0 1 FFAF CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1 1368365 QPNHHNYEADMPRC-UHFFFAOYSA-N 365.499 2.974 0 3 FFAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@@H]2CCC[C@@]1(C)O 2356308172 WNRWNWFOYJAQIH-TVNIXMEMSA-N 360.406 2.854 0 1 FFAF O=C(NCCNC[C@@H](O)COc1cccc2occc12)Nc1ccccc1 29214129 WXCAFHGKQVBFOE-MRXNPFEDSA-N 369.421 2.584 0 1 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cccc(Cl)c3)c12 114873272 CTQGPSJGSUHBCD-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF O[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O[C@H]2[C@@H]1O 28571529 CYFASGUCMZTGOB-WVXCVLBUSA-N 362.809 2.616 0 1 FFAF C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1N(C)c1ncnc2[nH]ccc12 38463443 MTRMACOHLXKTOY-CMPLNLGQSA-N 355.364 2.584 0 1 FFAF Cn1ncc2c1C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 34891514 ZNIINFIWHBSEGX-SWLSCSKDSA-N 351.859 2.914 0 1 FFAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NCCO)(c1ccsc1)C(=O)N2 219462169 UNRZMIKPVAUBIO-IBGZPJMESA-N 369.446 2.798 0 1 FFAF O=S1(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)CN1C1CCCC1 72138464 LLSPABOGCPADBS-HXUWFJFHSA-N 362.539 2.898 0 3 FFAF CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C 45336963 OXOOKSGNJDXRGS-UHFFFAOYSA-N 368.499 2.699 0 1 FFAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95667925 CVNWYMQYTIAHNN-URVUXULASA-N 370.493 2.798 0 1 FFAF O=[S@@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC1CC1 586960716 XSUVOQCSCLVGEG-JOCHJYFZSA-N 366.386 2.515 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccnc(Cl)c3[nH]2)cc1 586925055 FFHDTWUCOGAXOV-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(CO)cc3[nH]2)CCC(O)CC1 587237571 UJOULKCOMGQCKC-UHFFFAOYSA-N 361.442 2.710 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)[nH]c12 587786541 RFHJKHGCHCJNKW-ZIAGYGMSSA-N 351.362 2.688 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(N)(=O)=O)cc1)CC2=O 587485917 KKVIXLDGJWMGGW-QGZVFWFLSA-N 361.419 2.699 0 1 FFAF CC(C)(C)OC(=O)Cn1cccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962895947 JVXJKCASMXXIPT-MAUKXSAKSA-N 374.412 2.657 0 1 FFAF C[C@@H](O)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662161 JMZJFYUZEADBKF-PRHODGIISA-N 369.309 2.646 0 3 FFAF CCSCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 169686648 GRBKZWVDAPXSJX-HUUCEWRRSA-N 364.423 2.553 0 1 FFAF O=C(O)COc1ccc(OCc2cn(-c3ccc(F)cc3)nn2)cc1F 1857563685 XPQCNGXGNGSEGS-UHFFFAOYSA-N 361.304 2.588 0 1 FFAF Cc1ccc2c(c1)N(CC(=O)N1CCCC[C@@H]1c1cccnc1)C(=O)CO2 1328682 RUNQLAQIGYOBGP-QGZVFWFLSA-N 365.433 2.869 0 3 FFAF COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)O[C@H]2OC 2356322743 AMLFQHRHSBHKQM-GOSISDBHSA-N 350.367 2.878 0 1 FFAF CCOC(=O)N1CCC(Nc2c(-c3ccc(C)c(C)c3)c(=O)c2=O)CC1 3027889 MJRNZLDSGMYERK-UHFFFAOYSA-N 356.422 2.599 0 3 FFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27755023 FNKNQFGGIZMZKI-NSHGMRRFSA-N 371.525 2.772 0 1 FFAF COc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1 100562572 FMDMRXBOCVGROC-UHFFFAOYSA-N 363.442 2.506 0 3 FFAF COC(=O)[C@H](CCSC)NC(=O)CCCCc1ccc2c(c1)OCO2 58494178 SLYKUFPBEZAMLF-AWEZNQCLSA-N 367.467 2.539 0 1 FFAF CCCc1cc(OC)c(OC)c(C(=O)NC[C@H]2CCCN2CC)c1OC 34343058 PQQXQOJIDLXQOC-OAHLLOKOSA-N 364.486 2.879 0 1 FFAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccncc2)C(=O)O1 40828461 WYHSZXXDFKLCGM-OWMRDYPQSA-N 361.438 2.903 0 1 FFAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)CCO)n2)cc1 82066467 ZOKDPONJFUPFSQ-UHFFFAOYSA-N 373.457 2.846 0 1 FFAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)cs1 82069669 PUZKMGFABMRLEO-CQSZACIVSA-N 373.478 2.739 0 1 FFAF Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)c1 149274392 QINFRKWSYLYDSI-UHFFFAOYSA-N 369.428 2.711 0 1 FFAF CC(C)CC(=O)NC(=O)c1coc(/C=C/CC/C=C/C=C/C(=O)O)cc1=O 238782624 XMYHWVMJOYWQFI-FCGWLDPVSA-N 373.405 2.933 0 1 FFAF O=C(Nc1cc(CO)ccn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653747391 DHPKYHMTJHTQKB-OAHLLOKOSA-N 352.394 2.899 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(N)=O)cc3[nH]2)CCC(=O)CC1 587234596 QTUOVBSPNCFNHN-UHFFFAOYSA-N 372.425 2.525 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587259966 KUKRFVXWNGHDCG-VIFPVBQESA-N 350.209 2.606 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccnc2[nH]1 587094309 PFOFCPPSOAKWCE-YFKPBYRVSA-N 351.126 2.850 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(OC)cc3[nH]2)cc1 586937449 DZKHLQWDJAAKIH-LLVKDONJSA-N 360.439 2.710 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O 587427117 GUCRCQYSMYXKHB-PTAUBWNISA-N 363.385 2.770 0 1 FFAF Cc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2n1 587182002 KPEZFLRZIIUZAX-SECBINFHSA-N 367.194 2.985 0 1 FFAF COC(=O)Cc1ccccc1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587783253 KPCMZJBJMYDDLB-UHFFFAOYSA-N 354.362 2.741 0 1 FFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCC[C@@H]2CCCO)N1 963229442 LCQLGFHPOZGVAX-XWRIVVANSA-N 354.450 2.992 0 1 FFAF CC(=O)C[C@@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963523590 IUHCJTKEXKITPW-JXFKEZNVSA-N 357.381 2.661 0 1 FFAF NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)NCC1CC1)CC2 1772618869 IFNQRBGSWMNVGH-UHFFFAOYSA-N 372.856 2.843 0 1 FFAF O=C(O)Cn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737502 VSOMIEVSGIZJIJ-KXBFYZLASA-N 367.430 2.707 0 1 FFAF CN(C)CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824851 NDXNZSOCHVAYFP-UHFFFAOYSA-N 371.872 2.772 0 1 FFAF O=C(NC1CC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1 28645503 DBTKHUDMVFSPSD-UHFFFAOYSA-N 372.428 2.922 0 1 FFAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(NCCN)nc21 28014414 DIEYJCDILBBDAH-UHFFFAOYSA-N 365.363 2.979 0 1 FFAF COc1ccc(C=C2NCCc3cc4c(cc32)OCO4)c(C=O)c1OC 2356536036 NMZLYCCNMOSMED-UHFFFAOYSA-N 353.374 2.889 0 1 FFAF CCCCN1C[C@@H](COC(=O)CCC)Oc2cccc(F)c2S1(=O)=O 72136673 LNAAWIOYGCOJGM-ZDUSSCGKSA-N 373.446 2.721 0 1 FFAF CN1O[C@](C)(CC(=O)NCCOc2ccccc2)N=C1c1ccccc1 74373724 PGCDABNKMKENGU-HXUWFJFHSA-N 353.422 2.612 0 3 FFAF CCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCC)ccc1-2 73198986 SKGBXDYSNPSLFB-UHFFFAOYSA-N 354.450 2.875 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(CCC(=O)O)cc3[C@@H]2CO)ccc1O 15169070 TZAVPCIAHLZJPJ-LIRRHRJNSA-N 374.389 2.636 0 1 FFAF biogenic NC(=O)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)c2cncnc12 144751781 HWKDJRGRMYOENU-UHFFFAOYSA-N 367.840 2.709 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(OC)c2)ON1C 95590699 ZIAGXSBUFFBTEU-HUUCEWRRSA-N 372.358 2.862 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO 238779480 XLVPVNMSPILFPC-LHHMWYHVSA-N 358.390 2.534 0 1 FFAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccc(OC(C)C)nc3)c2cn1 261070929 ABQHNCIRSWSJQW-UHFFFAOYSA-N 370.413 2.575 0 1 FFAF Cc1cnc(O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O 299827668 QEABETJOTHLUAO-UHFFFAOYSA-N 357.454 2.560 0 1 FFAF COc1cccc(CONC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587653407 VLTCTAFNEGERSM-UHFFFAOYSA-N 359.769 2.748 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnn1C 587862577 CQNPEGPWFLLORH-UHFFFAOYSA-N 350.300 3.000 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(Cn1nc(Cl)nc1Cl)[C@@H](C2)C3=O 587421962 OPHNIHMGMDQFNS-BJOHPYRUSA-N 354.193 2.800 0 1 FFAF Cc1cn2cc(-c3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2c(C)n1 1772647919 HBOMTYWRKCOOMN-UHFFFAOYSA-N 363.465 2.837 0 1 FFAF COc1cc2ncnc(N3CC[C@@H](Oc4cccnc4)C3)c2cc1OC 14956471 CMJKEYGSFOILJO-CQSZACIVSA-N 352.394 2.700 0 1 FFAF CN(C)c1ccc(CC(=O)N=c2ccn(Cc3ccc(F)cc3)[nH]2)cc1 1857641292 AJYBUOXOQNLPET-UHFFFAOYSA-N 352.413 2.740 0 1 FFAF CN(C)C1CCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)CC1 1857645759 JRSONYCSISZJGD-HXUWFJFHSA-N 366.513 2.692 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(-c3ccccc3OC(C)C)nc21 4199923 LABTVQUPSPQYOL-UHFFFAOYSA-N 356.426 2.534 0 1 FFAF CCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3ccc(CC)cc3)c21 6916278 MIIMOSUYWBPNCM-UHFFFAOYSA-N 366.465 2.893 0 1 FFAF O=C(NC(=O)c1ccccc1)Nc1ccc([S@](=O)c2ncccn2)cc1 28571613 AKHGCIDJALYDNS-AREMUKBSSA-N 366.402 2.605 0 1 FFAF COc1cccc(N2CCN(c3ccc(-c4nc(C)ns4)nn3)CC2)c1 38153801 PTVGFRWZZDUKEH-UHFFFAOYSA-N 368.466 2.639 0 1 FFAF OC[C@@H]1[C@H](COCc2ccccc2)C[C@H]1n1cnc2c(Cl)ncnc21 40602225 JDMXELSBXFFVRB-RRFJBIMHSA-N 358.829 2.866 0 1 FFAF COc1cccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ccccn3)C2)c1 95592234 CLXRPRPXESZNAC-CVEARBPZSA-N 353.422 2.561 0 1 FFAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OC3CCCC3)c12 96911651 PJCSEOMCLAGXIG-UHFFFAOYSA-N 358.438 2.880 0 1 FFAF Cn1c(O)c(C2=NCCN[C@H](c3cccs3)C2)c(=O)c2ccccc21 24717229 UXNMYBAVBUHQID-ZDUSSCGKSA-N 353.447 2.829 0 1 FFAF biogenic CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)O 261497624 OYPPJMLKAYYWHH-NLUAUAMFSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CC(=O)N1C(=O)N2CCc3ccccc3[C@@]2(c2ccc(Cl)cc2)C1=O 68571999 HEOFDSCWFPYSLP-IBGZPJMESA-N 354.793 2.950 0 1 FFAF biogenic CCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 299865136 NIYCVRTXQSBVRO-UHFFFAOYSA-N 367.565 2.747 0 1 FFAF CN(C)C(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170998 HRPWPGBRFAFZFY-UHFFFAOYSA-N 355.369 2.861 0 1 FFAF O=[S@](CCCc1nc2cncnc2[nH]1)c1ccc(Br)cc1 586959831 MOQVGPBFXUZNIE-OAQYLSRUSA-N 365.256 2.856 0 1 FFAF CCCOc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br 587253298 GFYPXYCOJGCQMK-UHFFFAOYSA-N 364.203 2.689 0 1 FFAF CCS(=O)(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587849787 NUMRTDFFKOUZGQ-OTYXRUKQSA-N 364.280 2.772 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc3ncccc3c2[nH]1 586946427 XNIHAXJXCUYMSX-UHFFFAOYSA-N 356.407 2.729 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)([C@H](C)O)CC2=O 587477554 CVKGJTIUTYTLKG-BUXKBTBVSA-N 350.411 2.773 0 1 FFAF COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581229 LAPAPRVFBUFMTP-YLJYHZDGSA-N 366.373 2.938 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(N)=O)cc1 587870155 AUZXDZXTVONMOX-UHFFFAOYSA-N 353.353 2.875 0 1 FFAF Cc1cc(F)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c1 587227722 UDGYWZAZGAFFEM-UHFFFAOYSA-N 370.384 2.553 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1nccnc1-c1cccs1)N[C@H](C(=O)O)C2 963474546 WDGTUERGSUMKAM-SJCJKPOMSA-N 367.430 2.907 0 1 FFAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@@H]12 205217350 PKZFFUSGVFEXHS-IAGOWNOFSA-N 374.437 2.866 0 3 FFAF CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)[C@@H](O)[C@H](O)C=C4)nc2c1 1857544186 HKZZBEHFBMIUKL-SJLPKXTDSA-N 371.414 2.710 0 1 FFAF CC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21 102899716 KAUSSVRICVWZOF-UHFFFAOYSA-N 355.369 2.752 0 1 FFAF CC(C)NC[C@H](O)COc1cccc2[nH]c(OC(=O)OC(C)C)cc12 28765736 CBTREASGCZEOTF-ZDUSSCGKSA-N 350.415 2.829 0 1 FFAF Cc1nc(-n2nc(C)c(Br)c2C)nc(O)c1Br 103189253 XSRALKWKAAJACR-UHFFFAOYSA-N 362.025 2.818 0 1 FFAF CC(=O)Nc1ccc(/C(=C\c2ccc(S(C)(=O)=O)cc2)C(=O)O)cc1 103168365 LPCXGKFEWGKXLZ-GZTJUZNOSA-N 359.403 2.674 0 1 FFAF C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 66124543 HKTKPNWKGKKNNU-LBPRGKRZSA-N 367.361 2.914 0 1 FFAF CC(=O)c1ccc(N2CCN(CC[C@H](O)COc3ccccc3)CC2)cc1 29484672 WGZYTWYDNQPWQQ-NRFANRHFSA-N 368.477 2.841 0 1 FFAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 2356513092 RFUDNDQXKDXCES-RHSMWYFYSA-N 354.385 2.646 0 1 FFAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@H]3C(=CC=CC(C)(C)O)COC(=O)[C@@H]31)C2 2356567020 CUFNSNQMTXWTPT-CFPPRVJZSA-N 364.482 2.759 0 1 FFAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC(=O)CCCCC(=O)O)C(=O)C[C@H]1O 2356690954 ROUDCKODIMKLNO-LEUOFYLZSA-N 368.470 2.654 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1OC(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356712059 OAHMLWQISGEXBB-MLHJIOFPSA-N 366.454 2.754 0 1 FFAF C[C@@]1(CO)C[C@H](O)C[C@@]2(C)[C@@H]1CCC1=C[C@](C)([C@H](O)CCO)CC[C@@H]12 2356773688 GNPDLQDXTKVGFC-KQFCJCSDSA-N 352.515 2.642 0 1 FFAF CC[C@@]12CN3CCc4c([nH]c5ccccc45)C3=CC1=C(C(=O)OC)C(=O)O2 14594499 JPMVRCYAYSSAIH-OAQYLSRUSA-N 364.401 2.556 0 1 FFAF biogenic O=C1C[C@@H](O)Cc2c1c(O)cc(-c1ccccc1)c2-c1cc(O)cc(=O)o1 14884351 LKSLATAQAAIOTG-LBPRGKRZSA-N 364.353 2.875 0 1 FFAF biogenic O=C(O)c1c[nH]c2nc3c(cc2c1=O)N(c1ccccc1)C[C@@H]1CCCN31 36471927 RRYKTCBRFUIYJU-ZDUSSCGKSA-N 362.389 2.742 0 1 FFAF COc1cccc(-c2cccc([C@]3(c4ccncc4)NC(=N)N(C)C3=O)c2)c1 34806437 PVTVKIDYHUXCHW-QFIPXVFZSA-N 372.428 2.997 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C 238760217 VXPUNMVIAYIYHG-IKCYNXBESA-N 350.455 2.942 0 1 FFAF NC(=O)c1nc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)cnc1N 253994655 YJXPILYYRNJCFH-HAQNSBGRSA-N 354.410 2.573 0 1 FFAF COC(=O)C1=COC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@H]12 33832916 SDFSXHNINVZAOL-VRHCTWJESA-N 368.433 2.799 0 1 FFAF biogenic COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN[C@H](C)[C@]12CC[C@@H]2C 299805861 PERXRZUOQHGJMN-WDXSGGTDSA-N 351.878 2.827 0 1 FFAF Sc1nc(S)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 587076850 XEDUTRWMXVHNCT-UHFFFAOYSA-N 361.843 2.831 0 1 FFAF Cc1nn(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1Br 586979078 PYOXFDWLWGQBDF-CQSZACIVSA-N 363.219 2.911 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CNC(=O)C[C@@H]3C2)N1 587797431 SJVCPBSKNITUHH-NUXYAOMOSA-N 367.262 2.864 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC(C(=O)O)=C2)N1 587832296 JLAKHUUSBSAQFO-VXJOIVPMSA-N 354.175 2.830 0 1 FFAF CCCCCc1[nH]c2c(C(=O)O)cccc2c1C(=O)N[C@@H]1CCOC1=O 587637717 GNFFJGXIISQKPC-CQSZACIVSA-N 358.394 2.644 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C(=O)O)ccc21 587482868 JWNKNROGWBUGKN-FQEVSTJZSA-N 367.357 2.856 0 1 FFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccnc2[nH]1 586938568 WNNNXDZKQYKNCI-AWEZNQCLSA-N 362.480 2.731 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(Cn1cc(Br)cn1)[C@@H](C2)C3=O 587417433 KLSBBKBULWQCBW-BLLLJJGKSA-N 363.211 2.861 0 1 FFAF Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl 209672948 JIZCRDLCYFMDNS-UHFFFAOYSA-N 370.284 2.767 0 1 FFAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCc3n[nH]cc32)N1 963189697 NAQPPSGSDYEJFF-UKRRQHHQSA-N 371.746 2.871 0 1 FFAF N=C(N)Nc1ccc([C@H]2CC/C(=C\I)OC2=O)cc1 13651063 CGPGVVPPKRKSTH-PFEDMVJOSA-N 371.178 2.689 0 1 FFAF NC[C@@H](O)CNc1cc(N2CCCc3ccccc3C2)nc2ccccc12 205293853 DGQZVYKDPGIRQY-GOSISDBHSA-N 362.477 2.919 0 1 FFAF CCC[C@@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@@H]2O1 2356336043 GYPXYJUUIBLXBA-YVLXSGLVSA-N 350.367 2.798 0 1 FFAF Cc1cc2c(s1)S(=O)(=O)NC(O)=C2C(=O)Nc1ccc(Cl)cc1 100999734 PQAWQRBUPJZTAX-UHFFFAOYSA-N 370.839 2.867 0 1 FFAF O=C1Oc2ccccc2[C@H](O)[C@H]1Sc1c(O)c2ccccc2oc1=O 100360887 IDHBHFXFHJPAMQ-DZGCQCFKSA-N 356.355 2.612 0 1 FFAF COc1cc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc(OC)c1OC 28094651 PLNWKGVWNNWKIF-UHFFFAOYSA-N 367.365 2.659 0 1 FFAF O=C(O)c1ccccc1OC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1 29329133 WOPPQKAKMQEHIV-KRWDZBQOSA-N 367.401 2.914 0 1 FFAF O=C(CO[N+](=O)[O-])NCCCCNc1c2c(nc3ccccc13)CCCC2 29136053 XABKLWBYRPEVGJ-UHFFFAOYSA-N 372.425 2.630 0 1 FFAF C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 28001165 UJVJESYKEHAJNS-VHJVPQKMSA-N 362.466 2.883 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@H](CO)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 2356467224 HNPBJGUAULGPHG-KCXAZCMYSA-N 366.417 2.959 0 1 FFAF Cc1cccc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)n1 27319613 QUUOLPBTSHWEGE-INIZCTEOSA-N 371.462 2.799 0 1 FFAF CC[C@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28114081 CQSXDXGZMHUYRJ-GUYCJALGSA-N 357.458 2.853 0 1 FFAF CCC[C@H](O)C1=C(Br)C(=CI)OC1=O 2356554081 KCFLZMAPXDKUEQ-YFKPBYRVSA-N 372.984 2.630 0 1 FFAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@H](O)CCO)CC[C@@H]12 2356773690 GNPDLQDXTKVGFC-VBANPHMBSA-N 352.515 2.642 0 1 FFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc2cccnc12 2356842987 NANWRBHKEGDIPR-HYVNUMGLSA-N 359.495 2.634 0 1 FFAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2C(C)=O)cc(OC)c1O 34650189 ZXTMVCPKQIWMPH-UHFFFAOYSA-N 372.329 2.797 0 1 FFAF COc1ccc2c(c1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@@H]1C2 14676860 HGOULPVLENVPRT-SOVGHPHASA-N 368.385 2.910 0 1 FFAF biogenic O=c1ccn(CCOc2ccc(Cl)cc2Cc2ccccc2)c(=O)[nH]1 73166781 JTSBWYAZDKVZTR-UHFFFAOYSA-N 356.809 2.860 0 1 FFAF C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211060 XAWSJIZZGRFLQG-CYBMUJFWSA-N 358.442 2.782 0 1 FFAF Cc1cccc([C@H]2CCNC[C@H]2Nc2ccc(C(N)=O)c3ncncc23)c1 143807625 YRFHMPCAMBSNJH-DNVCBOLYSA-N 361.449 2.595 0 1 FFAF COc1cc([C@@H]2OC(=O)[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O 95909532 JOVBAVJQHJYOID-WSFKTYETSA-N 372.373 2.717 0 1 FFAF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)O2 587409149 KPFPKAKVCNGVSR-KRWDZBQOSA-N 360.435 2.534 0 1 FFAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 586882062 IXNNCTRROFIAFY-UHFFFAOYSA-N 359.389 2.986 0 1 FFAF CCn1cc(Br)c(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)n1 586999944 GCLPZLLAROYWII-CQSZACIVSA-N 363.219 2.856 0 1 FFAF COCCN1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342945 HZGVDFWRDRWUGN-PZJWPPBQSA-N 371.408 2.981 0 1 FFAF CCN(CC)c1ccc(-c2nn(C[C@H](C)O)c(=O)c3ccccc23)c(O)c1 587665995 WNNXTENUOFDEFG-AWEZNQCLSA-N 367.449 2.996 0 1 FFAF Cn1nc(O)c(C(=O)Nc2c(F)c(F)c(-c3ccccc3)c(F)c2F)n1 584905772 NRGHNOMCGATBLG-UHFFFAOYSA-N 366.274 2.996 0 1 FFAF in-vitro C[C@@H](CSCCCC/C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O 71789440 RROJUBDNJOLIIH-BXGWELLUSA-N 357.472 2.741 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2ccccc2N)c2n[nH]c(C(C)C)c2n1 143541287 QTTGJROYRLDUFU-ZDUSSCGKSA-N 369.473 2.853 0 1 FFAF CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C1 5852424 ZURLLGTYXODNBE-LBPRGKRZSA-N 373.428 2.610 0 1 FFAF CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cnc(N)nc3)C2)c1 12711578 WVFICROTKIKORC-KRWDZBQOSA-N 354.454 2.941 0 1 FFAF COc1ccccc1CN1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356300781 XXWVGDOXZWULEM-RHSMWYFYSA-N 356.401 2.706 0 1 FFAF COc1cc(O[C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O 6453818 OJVGWDJIYBTWDS-FQZPYLGXSA-N 372.373 2.869 0 1 FFAF in-man O=C(NCC[C@H]1CCCCO1)c1cc(COc2cncc(Cl)c2)on1 20110078 WARDFMFAEXIIJZ-CYBMUJFWSA-N 365.817 2.991 0 1 FFAF CCc1ccccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823301 SIWLWJLKDAJXTH-ROUUACIJSA-N 350.466 2.864 0 1 FFAF C[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cnc2N)[C@@H]1C 20467651 GYIWDYRRVHWRII-NGZCFLSTSA-N 362.293 2.529 0 1 FFAF COC(=O)[C@@H]1[C@@H]2C[C@H](C(=O)O)CC[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@H]12 2356537856 JCCOBJRKWABIAX-FFVMFQDYSA-N 366.454 2.892 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]14C[C@@H](c1ccco1)OC4=O)[C@@]23CO 2356647147 CKRQCQUCYGKPKV-JJFUOEDSSA-N 360.406 2.614 0 1 FFAF CCC=C(C)C=CCC(C)=C[C@H](OC(C)=O)C(=O)N1CC[C@H](O)[C@@H]1OC 2356857002 SFNSKDBKWXOASY-BJLQDIEVSA-N 365.470 2.733 0 1 FFAF C[C@H]1NC(=O)[C@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@H]3N2C1=O 61931344 GMTJRWMLUIEDSJ-CLXWZIMCSA-N 362.429 2.639 0 3 FFAF Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)n[nH]3)nn12 210686644 JRPOMJNEKGVSDK-UHFFFAOYSA-N 366.256 2.848 0 1 FFAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(O)CC1 210595852 CLOXVWLCRWFUQF-IMRCBTMISA-N 362.271 2.911 0 1 FFAF O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccoc2)CCCN1 14652484 CNJPJUFFFBTCBZ-IBGZPJMESA-N 369.465 2.743 0 1 FFAF biogenic,in-vitro COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1 45191511 MPUUTGILUJDKKP-UHFFFAOYSA-N 355.419 2.805 0 1 FFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893458 HFPOQAGPQUDQGY-SLFFLAALSA-N 357.498 2.945 0 1 FFAF Nc1ccccc1NC(=O)c1ccc(N2CCN3CCCC[C@H]3C2)nc1 253658810 AHCWVEIHIWKIES-INIZCTEOSA-N 351.454 2.591 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC 299880148 LTQHZLOFQMWPTR-UCLAIMLFSA-N 372.421 2.657 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(C(=O)O)N1 587827966 MVPNVFRPBJOUCI-VXJOIVPMSA-N 374.206 2.657 0 1 FFAF N[C@H](Cc1cscn1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587028769 WCBSQOVOIWQNAQ-SECBINFHSA-N 367.228 2.723 0 1 FFAF COCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599732 ZNMUWRFAWACDKF-PXNSSMCTSA-N 372.373 2.692 0 1 FFAF Cc1cc2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc2c(C)n1 587024328 VRPRFZSNJRPHCY-UHFFFAOYSA-N 360.443 2.786 0 1 FFAF CC(C)c1ccc([C@]2(O)CCc3nc4nc(O)nc(O)c4cc3C2)cc1 587561507 SBVCONWIHWAFMB-FQEVSTJZSA-N 351.406 2.936 0 1 FFAF CN(C)CCOc1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924662 SSDJOMUZMOKPAE-RAXLEYEMSA-N 371.462 2.948 0 1 FFAF CN[C@H](c1cccnc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587225022 UZTRSKYSQAIVRS-GFCCVEGCSA-N 361.199 2.727 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(=O)OCC)c1)CC2=O 587476855 RJNUUGOGPVDWMI-QGZVFWFLSA-N 358.394 2.811 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587006311 DRKFLSLHSHWVPJ-UHFFFAOYSA-N 363.200 2.653 0 1 FFAF Fc1cc(Br)cnc1-c1nc2c(S)nc(S)nc2[nH]1 587158510 ZREQCEARMAANKK-UHFFFAOYSA-N 358.221 2.894 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1 586929195 CBYGAEKHWOBACR-UHFFFAOYSA-N 368.418 2.784 0 1 FFAF Cn1nnc2cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)ccc21 962732168 XNQFNIUIPMVDAI-ZBFHGGJFSA-N 360.339 2.703 0 1 FFAF COc1ccc(C[C@@H](CO)/C(=C\c2ccc3c(c2)OCO3)CO)cc1OC 14437889 XUDZYVQTZDTQGU-PDEJURLFSA-N 372.417 2.659 0 1 FFAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296279 HORXBVNTEVKUHM-NVXWUHKLSA-N 362.788 2.679 0 1 FFAF C[C@H]1CCCN(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)C1 101692032 KJCWKGGMKKAAJS-KFKAGJAMSA-N 360.473 2.899 0 1 FFAF N[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 102787538 KSSXHMSFRDUHHN-HSZRJFAPSA-N 353.787 2.971 0 1 FFAF CC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1 113237651 LUCXXRMAYRHMAY-UHFFFAOYSA-N 370.804 2.575 0 1 FFAF N[C@H](c1ccccc1)c1csc(Nc2ccc(C(=O)NCCO)cc2)n1 61903389 BTCVWTAHUOSEEB-QGZVFWFLSA-N 368.462 2.657 0 3 FFAF COCC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)/C1=C(\O)OC 103538519 HSXKWSDLSFIMMQ-OWRWYXLESA-N 370.196 2.718 0 1 FFAF COC(=O)[C@@H]1C[C@@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@H]2OC)[C@@H]31 2356420263 URDXZVLEWZYTSQ-HVIHEDKUSA-N 368.477 2.555 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NC(C)C)O3)c1 61896193 ZMEQQOVKMWPUAC-FQEVSTJZSA-N 353.422 2.925 0 3 FFAF COC(=O)[C@H]1[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]2CC[C@@H](C(=O)O)C[C@H]21 2356537859 JCCOBJRKWABIAX-UTVQJIAJSA-N 366.454 2.892 0 1 FFAF Cc1cc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)nn1C(C)(C)C 74379337 ZYSXSFWQXBRYFZ-NVXWUHKLSA-N 352.438 2.822 0 3 FFAF CC[C@H](C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@@]23C 14450624 IRRGZHQOVQRPSV-TVVZMKTDSA-N 362.422 2.548 0 1 FFAF biogenic CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147700003 OMSAEBUIHWCGKQ-HDICACEKSA-N 373.497 2.622 0 1 FFAF CNC(=O)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144792863 PDFJZEYOZBTUPH-KRWDZBQOSA-N 351.324 2.980 0 1 FFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893455 HFPOQAGPQUDQGY-AABGKKOBSA-N 357.498 2.945 0 1 FFAF COc1cc2c(c(O)c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 85996668 NPNKBZWPJLBZHB-ZDUSSCGKSA-N 355.390 2.890 0 1 FFAF biogenic NNc1nc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2s1 587652987 ARHOKWZXQCAGAX-UHFFFAOYSA-N 371.809 2.634 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587761713 CKPJBPYBQOONDL-JDNHERCYSA-N 368.250 2.709 0 1 FFAF CCOc1n[nH]c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1Br 586980422 YHYYTWJGEAECNU-UHFFFAOYSA-N 369.150 2.952 0 1 FFAF CCn1ccc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)n1 962693550 GCKVDEZAJHPZCZ-XJKSGUPXSA-N 371.334 2.923 0 1 FFAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(C2=O)c2nc(Cl)cc3c2CCN1C3 963465445 COLBRYATQBXZGK-CEXWTWQISA-N 360.841 2.782 0 1 FFAF Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)cs1 1772634624 MGGDSHFUXKPWIY-UHFFFAOYSA-N 351.439 2.834 0 1 FFAF O=C1c2ccccc2S(=O)(=O)N1CCCCCNCc1ccccc1 1772581890 ZGHYKEDJXGZSTQ-UHFFFAOYSA-N 358.463 2.791 0 1 FFAF O=C(NCCc1cccnc1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11937321 YLAOGXVXAWUSDJ-KRWDZBQOSA-N 371.868 2.833 0 3 FFAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@H]12 205217297 PKZFFUSGVFEXHS-IRXDYDNUSA-N 374.437 2.866 0 3 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCc4ccccc4[C@@H]3C)c2C)n1 1857588305 KNGZQZUVWHYXOH-ZDUSSCGKSA-N 363.421 2.744 0 1 FFAF Nc1nc(N2CCSCC2)sc1C(=O)c1cc2ccccc2oc1=O 1857759909 KJMVAPUNGDNSIE-UHFFFAOYSA-N 373.459 2.616 0 1 FFAF CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 758518 TXTRGIUXMATJEY-SJLPKXTDSA-N 374.481 2.530 0 1 FFAF CCO[C@@H]1O[C@@H]2CN(C)[C@H]3CC(OC)=CC[C@@]23c2cc3c(cc21)OCO3 2356427498 CQBZGAVUNOGFCS-NMLBUPMWSA-N 359.422 2.725 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)NCCc3cccc(C)c3)ccc21 4969193 CEQHMDJHNZAVEU-UHFFFAOYSA-N 372.490 2.815 0 1 FFAF COc1cc(CC[C@H](C[C@H](O)CCC[C@H](C)O)OC(C)=O)ccc1O 2356363164 IHVRRERKANCGKN-IAOVAPTHSA-N 354.443 2.567 0 1 FFAF COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(Cl)ccc2n1 28817370 PDHCDIHAAMNZSD-LSDHHAIUSA-N 352.818 2.965 0 1 FFAF O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@H]2C[C@@H]12 103260420 HIOMOGJGDYPGSP-RBUKOAKNSA-N 353.466 2.942 0 1 FFAF O=C(CC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nnn[nH]1 103139695 XRLVGGOOMKWHMN-UHFFFAOYSA-N 356.769 2.888 0 1 FFAF CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@@H]2C1=O 103260455 QLBYNJNJSAHWFL-MOPGFXCFSA-N 353.466 2.895 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356557688 XNRNNGPBEPRNAR-VKESLTNKSA-N 370.486 2.769 0 1 FFAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 61908599 TXXLIORUTNOJFP-LJQANCHMSA-N 364.442 2.832 0 3 FFAF O[C@@H](CSc1nnnn1-c1ccccc1)Cn1ccc2ccccc21 84688381 VLOVKMSYSMMSOH-MRXNPFEDSA-N 351.435 2.770 0 1 FFAF COc1cc2nc(-c3cccnc3)nc(N3CCC[C@H]3CO)c2cc1OC 84730623 AXHNKXRLWWWMGX-AWEZNQCLSA-N 366.421 2.670 0 1 FFAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6[N+](=O)[C@]15[C@H]2C)[C@@H]43 238744980 MKVKBOFSHYPQMZ-SBTGKJMVSA-N 351.426 2.560 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3C(=O)N1CC2 49033688 ABOHSCBQHIUZTF-AWEZNQCLSA-N 355.390 2.714 0 1 FFAF biogenic Cc1ccccc1NC(=O)NC(=O)COc1nc2ccccc2nc1C 653817114 BGAWBVKGWHSDCZ-UHFFFAOYSA-N 350.378 2.974 0 1 FFAF C[C@H](F)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587123890 KSAKOWKBHCBNJY-UCORVYFPSA-N 354.554 2.574 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2ccc(C(C)=O)cc2[nH]1 587568011 JMVPPZOLXWIBDD-UHFFFAOYSA-N 362.426 2.685 0 1 FFAF O=C(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1cccc(F)c1 587163410 QLGOVZFKOKBVLU-UHFFFAOYSA-N 354.341 2.604 0 1 FFAF COc1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)nn1-c1ccccc1F 587156671 PUKPPYSHZXFUPD-UHFFFAOYSA-N 350.357 2.847 0 1 FFAF N[C@@H](Cc1ccc(I)cc1)c1nc2cccnc2[nH]1 587186515 WAVMBVQPWPSEOR-NSHDSACASA-N 364.190 2.805 0 1 FFAF Clc1cccc2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 963392427 ZWNXQPMRMDMQER-MRJAXUJBSA-N 355.865 2.812 0 1 FFAF COC(=O)c1cccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962765186 MFYSJGZEELYFBF-LSDHHAIUSA-N 364.323 2.603 0 1 FFAF CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@]2=O 5058635 JHGCWKMDDKATMP-SANMLTNESA-N 370.474 2.823 0 3 FFAF CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCOC)C3)sc2c1 5105912 HVFBVGOJOPZRIU-CYBMUJFWSA-N 363.483 2.674 0 1 FFAF COc1cc2c(c(OC)c1O)C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 1857595523 APWVCSUULJAZPB-OAHLLOKOSA-N 355.390 2.794 0 1 FFAF CCCCCCc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cc1 13532366 VZUARTNOEPMXJJ-UHFFFAOYSA-N 351.276 2.860 0 1 FFAF O=C(c1ccncc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55308331 CPGDBGWXMPQUJO-HXUWFJFHSA-N 368.456 2.648 0 3 FFAF O=C(O)c1cn(Cc2ccc3c(c2)OCCO3)c2cccc(F)c2c1=O 68204772 GEXINFOASJVLLZ-UHFFFAOYSA-N 355.321 2.658 0 1 FFAF CCC(CC)C(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356765044 JWJKVCPVNRZJKQ-HUUCEWRRSA-N 372.469 2.876 0 1 FFAF CN1CCC(NC(=O)C[C@H](N)Cc2ccccc2F)(c2ccccc2)CC1 40894273 DEZTZZCXVQYIRV-LJQANCHMSA-N 369.484 2.823 0 1 FFAF CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82152376 FQUHYTNHLMSXEZ-ZDUSSCGKSA-N 358.417 2.648 0 1 FFAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2nnccc21 146519525 WWMREKOKVHDKDR-LLVKDONJSA-N 357.719 2.941 0 1 FFAF Cc1ccoc1C(=O)Nc1cnc(N2C(=O)c3cccc(F)c3C2=O)nc1 473169960 OWRVGJUBYVVVPK-UHFFFAOYSA-N 366.308 2.570 0 1 FFAF CCn1cc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587431358 JZSKHAOLWDQPAV-YCLSTDHLSA-N 353.422 2.630 0 1 FFAF CC(=O)N[C@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1 586985716 QOJDGYQUQDRWOM-GFCCVEGCSA-N 360.215 2.535 0 1 FFAF CCOC(=O)[C@@H]1CCc2ccncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587394535 HAPUMLPYHIPIPB-BTYIYWSLSA-N 366.417 2.958 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)cc(Cl)c2[nH]1 587203197 JPECHGQTHABMIB-LLVKDONJSA-N 357.241 2.949 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587057494 ACFPCZSBWGJZLF-OAHLLOKOSA-N 365.842 2.548 0 1 FFAF Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2C[C@@H]1CCCO1 1857551889 SHIWQBRKEVPYAV-INIZCTEOSA-N 370.474 2.955 0 1 FFAF O=C(/C=C/c1ccc(O)cc1)OCC(=O)Oc1ccc2ccc(=O)oc2c1 1857554355 VUJCGHOXGSPELD-YCRREMRBSA-N 366.325 2.661 0 1 FFAF CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O 2516024 SENJBFBVCXOUFE-UHFFFAOYSA-N 361.833 2.609 0 1 FFAF in-vitro O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356374173 PFBBUKSWUJDGHX-SFHVURJKSA-N 353.397 2.588 0 1 FFAF CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2-c2cc(C)no2)C1=O 29400701 HJAKTQAHKIJTKU-UHFFFAOYSA-N 367.390 2.811 0 1 FFAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3cccnc3)CC(=O)N21 6417377 FYWLLWSSWFFNLM-GOSISDBHSA-N 374.444 2.594 0 1 FFAF biogenic O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNCCO 49037192 OSRIONOQBURAGV-HNNXBMFYSA-N 363.454 2.660 0 1 FFAF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82141455 CELBIZVTEBRZTC-UHFFFAOYSA-N 358.417 2.649 0 1 FFAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1Nc1ccc2c(c1)CCC2 82203767 KJRDPBNXTXYRQL-MRXNPFEDSA-N 351.454 2.719 0 1 FFAF CCC[C@H](N)[P@](=O)(O)C(=S)NCc1ccc(C(=O)OCC)cc1 49067683 MFLYFSPXIIZVPN-CYBMUJFWSA-N 358.400 2.593 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(CO)c4)OC[C@H]23)ccc1O 142358823 OHOPKHNWLCMLSW-IQGAEYHTSA-N 358.390 2.674 0 1 FFAF COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cn1 147809836 XZBFFMZZJJMZTH-CQSZACIVSA-N 351.362 2.793 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2F)ON1C 95588907 OVSGGRFQBBLVIC-ZIAGYGMSSA-N 360.322 2.992 0 1 FFAF C[C@H](c1ccccc1)N1CCC[C@@H](CNCc2cc(C(=O)O)ccn2)C1=O 653719652 VROYSACMKZBUDU-QAPCUYQASA-N 367.449 2.869 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(F)c1)O2 587383797 GWTXZNUXVKNUTO-GOSISDBHSA-N 363.410 2.622 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CCOC)C(=O)C1)CC2=O 587479831 VBUPAQBLWAIVNI-HXUWFJFHSA-N 359.422 2.831 0 1 FFAF C[C@@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335048 KKMCUFJKDIICKL-RDTXWAMCSA-N 355.325 2.771 0 1 FFAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CCC(=O)O 587517702 SGYUBUHHIUUCSB-NRFANRHFSA-N 369.417 2.880 0 1 FFAF Cc1cn(C)nc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691304 CCGWBPGUBJLMBA-TZMCWYRMSA-N 357.307 2.575 0 1 FFAF CC(=O)N1CCc2sc([C@H]3NCCc4c(C(=O)O)cccc43)cc2C1 963129516 GBYHHIPCEKHPPU-SFHVURJKSA-N 356.447 2.586 0 1 FFAF Cc1ccc2c(c1)[C@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)N2C 962776014 ZTJPYUAXYDRREC-BEFAXECRSA-N 374.362 2.861 0 1 FFAF CC(C)c1nn(C)c2c1[C@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2 962913702 RGHMWIBUEOPPRY-QGZVFWFLSA-N 370.280 2.550 0 1 FFAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCO2)C(=O)O)cc1 13442212 QCSCWVKEGWWYHS-HKUYNNGSSA-N 369.417 2.653 0 1 FFAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)N2CCCC2)OCO3)cc1 13530493 UHEKRNUKGHGQDQ-UHFFFAOYSA-N 373.430 2.722 0 1 FFAF CCCCOc1c(OC)cc(C(=O)NCC(C)(C)N(C)C)cc1OC 13863598 NLRLSYMMEPIOIP-UHFFFAOYSA-N 352.475 2.953 0 1 FFAF COc1cc(CC(=O)c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O 14455078 DUMIVGACFOEVLP-GQCTYLIASA-N 358.346 2.638 0 1 FFAF CCN(CC)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 6936796 FQICVAMJGAUYGR-UHFFFAOYSA-N 370.501 2.638 0 1 FFAF CCCCCCc1c(O)n(-c2ccccc2)c(SCC(N)=O)nc1=O 100093495 FQADBMOIGLIZOT-UHFFFAOYSA-N 361.467 2.638 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2OC2CCCC2)O1 2356353234 KDGPOOXPFUCBJP-QGZVFWFLSA-N 360.406 2.681 0 1 FFAF CCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O 103264003 FRWUCWDOQKZMOO-UHFFFAOYSA-N 356.426 2.677 0 1 FFAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)[C@]3(C)CNC(=N)NC 2356424338 OFXXABHJXYDTNN-WXSXFZHNSA-N 363.502 2.610 0 1 FFAF N[C@H](Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 69487721 RNMSHTFOLZWYIU-MRXNPFEDSA-N 351.406 2.682 0 1 FFAF endogenous,in-vitro COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CC(=O)O)c2=O)cc1 26568694 ZPHQIWXAIWECJH-UHFFFAOYSA-N 369.373 2.779 0 1 FFAF N=C(N)Nc1ccc(C2CCN(c3ccc(NC(=N)N)cc3)CC2)cc1 29133012 AZIAZJNMIPYBGA-UHFFFAOYSA-N 351.458 2.681 0 1 FFAF Cn1ncc2c1C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 28948408 OJJQKWWWAKJKCJ-AWEZNQCLSA-N 369.440 2.899 0 1 FFAF CC=C(C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@H](C(C)C)CC(=O)[C@@]12C 2356489366 UXXJAHJNHYCPJW-RKOGWWSCSA-N 350.455 2.559 0 1 FFAF CC1(C)NC(=N)NC(=N)N1OCCCOc1cc(Cl)cc(Cl)c1 45303013 UOODEBMIZLDFRX-UHFFFAOYSA-N 360.245 2.794 0 1 FFAF COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@@]2(C)CC1 14884762 GXVZXRZMWGYXMQ-LHXCWHMYSA-N 370.401 2.995 0 1 FFAF biogenic CCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1 40943100 LZPFERLGKNQAQE-UHFFFAOYSA-N 368.397 2.918 0 1 FFAF COCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 618007107 ASGIWPIJGDJJAR-QGZVFWFLSA-N 371.481 2.933 0 1 FFAF COc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1Cl 586929382 FIZLSNVWEQGVFM-UHFFFAOYSA-N 365.842 2.658 0 1 FFAF COc1cc(Br)c([C@H](N)c2nc3cnccc3[nH]2)cc1OC 586974627 FQDBJKRNVRIZTG-AWEZNQCLSA-N 363.215 2.786 0 1 FFAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 587560149 CPXCYICWNYHDOJ-GWCFXTLKSA-N 365.389 2.897 0 1 FFAF O=C1CCc2cc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3cc2N1 586924010 DVNOZBVZZWZGNI-CMDGGOBGSA-N 353.403 2.892 0 1 FFAF COc1cccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1O 587787487 UTHJJYKMCOFKCR-UHFFFAOYSA-N 350.378 2.700 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@H]3C[C@@](C)(O)C1CCOCC1 963069553 SJCMLSBVKCZHCE-DYESRHJHSA-N 356.466 2.998 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cn(C)nc1-c1cnn(C)c1 963052946 FMGVNKHNSKAGMG-NRFANRHFSA-N 374.448 2.613 0 1 FFAF COc1ccc(OC)c([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726076 LNBNGWSJRBOHKT-NVXWUHKLSA-N 352.415 2.935 0 1 FFAF Cc1nc(-n2ccc3nc(COc4ccccc4)cn3c2=O)ccc1F 203794354 QECQCPXSTDSTMQ-UHFFFAOYSA-N 350.353 2.907 0 1 FFAF c1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccc4c(c2)OCO4)C3)cc1 2356405023 DRTSAOUKCHXINV-QGZVFWFLSA-N 363.417 2.967 0 1 FFAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1 3956067 BUCNVIFSIULBLP-UHFFFAOYSA-N 372.494 2.548 0 1 FFAF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 4165889 YMTWNUQMSIPQAH-JFGNBEQYSA-N 351.305 2.702 0 1 FFAF Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1 103283304 VHWYSWZBTFPWKG-UHFFFAOYSA-N 363.389 2.937 0 1 FFAF CCC1=Nc2ncnn2[C@@H](c2cc(OC)c(OC)cc2OC)/C1=C(/O)OC 103539551 AJRIHCRQXSNXRL-SCDSTIRESA-N 374.397 2.805 0 1 FFAF CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](COC)C(C(=O)O)=C3C1 103524953 WNXJTFWLHDLHTP-ZVNTTXGISA-N 373.497 2.830 0 1 FFAF biogenic,in-vitro Cc1nnc(Cc2nn(Cc3ccc(Cl)nc3)c(=O)c3ccccc23)o1 64448219 WQYSNQHXKOCGCL-UHFFFAOYSA-N 367.796 2.775 0 1 FFAF COc1ccc(Cc2nnc3n2N[C@H](c2cccn2C)S3)cc1OC 28712929 ZHOXFSGOUZCCII-INIZCTEOSA-N 357.439 2.573 0 1 FFAF O=C(Nc1nnn[nH]1)c1cc(=O)c2c(o1)c1ccccc1n2-c1ccccc1 28255099 IEADJOVBRRPPIQ-UHFFFAOYSA-N 372.344 2.502 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 2356831842 JSDWWNLTJCCSAV-JNIAIEOXSA-N 372.502 2.993 0 1 FFAF Cc1ccc2cc3cc(C(=O)NCCN4CCOCC4)sc3nc2c1 20178730 PTIMNBFYGVSLGQ-UHFFFAOYSA-N 355.463 2.820 0 1 FFAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CCCC2)cc1 38149897 JIIFXXCFPWAGOZ-UHFFFAOYSA-N 364.473 2.838 0 1 FFAF O=C1OC[C@@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@H]12)OCO4 14676849 SCTKDFCQZSBHEE-GESALYCCSA-N 352.342 2.621 0 1 FFAF biogenic CC(C)=CCn1cc(C[C@H]2NC(=O)[C@H](C(C)C)NC2=O)c2ccccc21 13430503 MGOFATRHLJYLQK-MJGOQNOKSA-N 353.466 2.789 0 1 FFAF biogenic Nc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc12 210678706 GVTWIUPSKQGJTH-GOEBONIOSA-N 352.398 2.582 0 1 FFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@@H](O)C1 72190080 PGWURUYAKNYOPM-DYVFJYSZSA-N 367.401 2.651 0 1 FFAF in-vivo CCCC[C@@H](N)[P@](=O)(O)C(=S)NCc1ccccc1C(=O)OC 49069536 KZVJJQCEPZDUJY-ZDUSSCGKSA-N 358.400 2.593 0 1 FFAF Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)c1 45254326 QFAHPWBXTBJXGW-KRWDZBQOSA-N 370.449 2.676 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 253688960 LDVMINOGJBBSNA-OEEXOLPUSA-N 365.473 2.960 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cc1 253636445 ZYHSHBUXMTUHNX-CGBFIWBNSA-N 361.482 2.699 0 1 FFAF O=C(N[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 653682133 HTUPKTNEAWAZLK-RMRHIDDWSA-N 354.454 2.654 0 1 FFAF C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 587388580 DZTWUMQOKXUTSQ-GTNDTBFNSA-N 370.449 2.837 0 1 FFAF CCOC(=O)C[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587789013 BDSHEBXRRXBWHY-QLJPJBMISA-N 374.250 2.917 0 1 FFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587786984 UAJFAICGZLTSKL-UWVGGRQHSA-N 358.448 2.874 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CN3CCN(C2)CC1(CC)C3 587482797 KGFHTLXUWQITRR-IVKVDSSUSA-N 370.493 2.706 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(C)n1)[C@@H](C2)C3=O 587427571 DRMXYQYUJJPUJT-XOBRGWDASA-N 352.390 2.934 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(N3CCCC3)ccc21 587396246 QYGHTXKWDDJIAZ-NRFANRHFSA-N 363.417 2.990 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586922460 NSWHHFWMFZHEQR-UHFFFAOYSA-N 355.419 2.908 0 1 FFAF Cc1cc2c(cc1O)[C@](CCCN(C)C)(c1ccccc1)N[C@H](C(=O)O)C2 963552212 OTLFZCPFDGKHEB-UGKGYDQZSA-N 368.477 2.885 0 1 FFAF COc1ccc2c(c1)C1([C@H]3COC[C@H]1CC(C(=O)O)C3)N(C(C)C)CC2 962085800 APHYYDRPUCOURI-CXIVCQEWSA-N 359.466 2.914 0 1 FFAF CS(=O)(=O)N1CCCC[C@H]1[C@@H](O)Cn1c2ccccc2c2ccccc21 148471889 AITVKXKDZNBQNA-PMACEKPBSA-N 372.490 2.970 0 1 FFAF Cc1cc2nc(-c3ccc4c(N)nc(N)nc4c3)n(CCCO)c2cc1C 169706536 KDNYRYCRFHVZNX-UHFFFAOYSA-N 362.437 2.810 0 1 FFAF NC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 206014538 FTHXHOYHCINYIH-UHFFFAOYSA-N 365.374 2.811 0 1 FFAF COc1ccc(N2C=N[C@H]3c4c(ncc5c4NCC5)S[C@H]3C2=O)cc1 207689001 SIUQQICXQVLRLA-JKSUJKDBSA-N 352.419 2.649 0 1 FFAF in-vitro O=c1nc(O)n(-c2ccccc2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 1857594181 CFKWJKZXGVUURM-UHFFFAOYSA-N 373.368 2.881 0 1 FFAF COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1ccc(O)cc1 1857615557 AAKJJFDFXSVNBM-INIZCTEOSA-N 363.410 2.736 0 1 FFAF C[C@@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@@H](C)O1 766835 NNRDRKZRECAZOH-ZIAGYGMSSA-N 350.422 2.935 0 1 FFAF CC(C)(CO)NC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 1656561 UOSSKVBRFUYJPQ-UHFFFAOYSA-N 369.343 2.953 0 1 FFAF NC(=O)c1cccc2nc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c12 51048315 UAHYPFIRELKANE-GFCCVEGCSA-N 356.376 2.930 0 1 FFAF biogenic CN(C)c1ccc(CN2CC[C@@H](c3nc4c(C(N)=O)cccc4[nH]3)C2)cc1 51048316 XFPFFOCUWNLJEJ-OAHLLOKOSA-N 363.465 2.717 0 1 FFAF biogenic CC[C@H](C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 29561646 MCGFTDIDSXDGDC-HNSVSWJLSA-N 356.470 2.957 0 1 FFAF CC(C)CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 21039830 ACJNEZHMUBRNLH-UHFFFAOYSA-N 369.488 2.956 0 1 FFAF CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)/N=c1/[nH]cco1 29239237 FYGFNJICGHSJIB-UHFFFAOYSA-N 351.284 2.772 0 1 FFAF Nc1nc(NCc2ccccc2)nc2c1nc(O)n2Cc1ccc(F)cc1 28571489 DRYRIECZEPAWCS-UHFFFAOYSA-N 364.384 2.914 0 1 FFAF COc1ccc(C(=O)N[C@H]2CN(CC3CCCCC3)CCC[C@H]2O)cc1 2356828867 ILVKZXWWVPBIDB-VQTJNVASSA-N 360.498 2.831 0 1 FFAF O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@@H]1Cc2ccccc2[C@@H]1O 219767692 FOYUBKLLRBTZJV-DOMZBBRYSA-N 359.336 2.675 0 1 FFAF COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 34951403 KWKMYGPZQBMLGC-ZETCQYMHSA-N 364.772 2.708 0 1 FFAF CC(C)C(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cccc(O)c1 14728172 ZMADGMGPOXUDTA-MSOLQXFVSA-N 358.346 2.688 0 1 FFAF biogenic CCc1oc(CCc2cc(N3CCOCC3)cc(NCCOC)n2)nc1C 43019276 LKILDLFETJKHNP-UHFFFAOYSA-N 374.485 2.621 0 1 FFAF CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H](OC(C)=O)/C(C)=C/CC1 238776997 KUOMJFRFJMUJKK-CFJHEMKJSA-N 350.411 2.716 0 1 FFAF CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 238731879 PQNOCJMPOHKMIT-OSJYHRBDSA-N 364.526 2.927 0 1 FFAF N[C@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 299853416 KGNHFCCPUHWUOV-UXHICEINSA-N 371.912 2.991 0 1 FFAF Nc1cc(F)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1N 587136716 JUEBTHLBLUJXRI-UHFFFAOYSA-N 365.372 2.593 0 1 FFAF Nc1ccnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586969242 IXARUZHTMCJNDU-UHFFFAOYSA-N 368.378 2.611 0 1 FFAF COC(=O)c1ccc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2c1OC 587784718 CMCJPTOUHAVXLD-UHFFFAOYSA-N 358.350 2.748 0 1 FFAF CN1CC[C@]2(c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@H](CCO)C1 962717692 QONXBZVNYJKODX-TWOQFEAHSA-N 364.530 2.719 0 1 FFAF CCc1cccc(C)c1NS(=O)(=O)c1nc2nc(C)cc(C3CC3)n2n1 206192039 LPJBAKRTUJODDH-UHFFFAOYSA-N 371.466 2.982 0 1 FFAF COc1ccc(CNC(=O)[C@@H]2CC=C[C@@H]3CCN(C4CC4)C(=O)[C@@H]32)cc1 12478692 PSHGLAOJJIRVSO-LZQZEXGQSA-N 354.450 2.515 0 3 FFAF CCCCNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1 13727851 CWUFUYMCWCMVPX-UHFFFAOYSA-N 352.481 2.516 0 1 FFAF COc1cc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2cc1OC 169328115 YOAMTNXDWRWPJS-UHFFFAOYSA-N 357.458 2.811 0 1 FFAF CCCCCn1nnnc1[C@@]1(C)CCSCC(=O)N1Cc1ccco1 203465795 GCUILLRYNUDKIS-QGZVFWFLSA-N 363.487 2.837 0 3 FFAF CN(C)/C=C/c1nc2ccccc2c(=O)n1-c1cccc(C(=O)NC2CC2)c1 1857557601 FTRYNEPSQUQOTN-OUKQBFOZSA-N 374.444 2.810 0 1 FFAF Nc1nc(Cl)c(C=O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 1645767 KHYIYHSQSYBJBJ-UHFFFAOYSA-N 374.872 2.958 0 1 FFAF COc1cc2c(C(=O)N3CCCC3)cn(CC(C)C)c(=O)c2cc1OC 2460389 JLCHQLZCYLHRTF-UHFFFAOYSA-N 358.438 2.911 0 1 FFAF Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NC(C)C)c32)cc1 8604509 PMSGRNARXDUXCF-UHFFFAOYSA-N 352.438 2.637 0 1 FFAF CC(C)(N)[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27848649 ZZILYMQAXORWTE-LLVKDONJSA-N 373.428 2.737 0 1 FFAF CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1N2C 26181857 ROJVREKILBJXJJ-UHFFFAOYSA-N 359.407 2.518 0 1 FFAF CCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc32)nn1 66077157 SDTJUTBPMRSBKH-UHFFFAOYSA-N 362.441 2.710 0 1 FFAF COc1cc(C)cc2cc(-c3c(CO)c(C#N)n4ncnc(N)c34)sc12 218042598 OPYADQWBIKESKM-UHFFFAOYSA-N 365.418 2.874 0 1 FFAF C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 73129415 WKFXHNDWEHDGQD-ISPUBHEUSA-N 350.499 2.681 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 195429123 AALLCALQGXXWNA-MPSRIENASA-N 358.390 2.533 0 1 FFAF COc1ccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c(OC)c1 49113853 OFSMRZJPTZGSGH-UHFFFAOYSA-N 362.385 2.763 0 1 FFAF c1ccc(C[C@H]2CCNC3(CCN(c4ncnc5[nH]cnc45)CC3)C2)cc1 96910996 LJIMRHWLWFNRRU-QGZVFWFLSA-N 362.481 2.934 0 1 FFAF Cc1cccc(CCc2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)c1 149407754 XXKXSECDGZWWRS-QFIPXVFZSA-N 364.445 2.729 0 1 FFAF O=c1cc(O)n(CCc2ccc(Cl)cc2)c(=O)n1[C@@H]1C[C@@H]2CC[C@H]1C2 96270141 YBBFSMQHDHLGIA-IJEWVQPXSA-N 360.841 2.973 0 1 FFAF OC[C@H]1[C@@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1nccs1 95794211 GWUKVFGQFKLMLQ-PKOBYXMFSA-N 355.507 2.568 0 1 FFAF O=c1nc(NCc2cccc(Cl)c2Cl)cc(N2CCOCC2)[nH]1 95578448 YBHTZNXIGGUDIQ-UHFFFAOYSA-N 355.225 2.525 0 1 FFAF N[C@H](CCc1ccncc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 299839666 SXZZIOOVCGCZRP-IRXDYDNUSA-N 362.366 2.513 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@]2(C)CC[C@@]1(C(=O)O)C2(C)C 587406316 GDKGKNXHFOLDJR-VAMGGRTRSA-N 357.406 2.761 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncccc12 587795620 RQVYXQRWBZSOFR-BCTVWOGZSA-N 362.202 2.713 0 1 FFAF C[C@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652066 KMDNFZYJDBXNOW-VIFPVBQESA-N 351.790 2.603 0 1 FFAF O=C(O)[C@H]1C(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C(=O)O 587970621 LPUGQSIBFUBNNF-IUCAKERBSA-N 364.663 2.614 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)O2 587408923 JORDZCZPIXJIPF-IBGZPJMESA-N 374.462 2.722 0 1 FFAF COC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 587173793 JMBHJTKWKAHMHL-GOSISDBHSA-N 355.325 2.512 0 1 FFAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587787931 SQLRFCBPJPWPPJ-UHFFFAOYSA-N 374.418 2.942 0 1 FFAF CCCCCn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2ccccc21 1772616714 IETJTGBGCASYDK-UHFFFAOYSA-N 371.481 2.802 0 1 FFAF COc1ccc(F)c(C[C@]2(CCC(=O)NCc3ccco3)CCC(=O)N2)c1 12041240 OQEUFJBYJHHHMS-FQEVSTJZSA-N 374.412 2.715 0 1 FFAF Nc1ccccc1NC(=O)CCCCCN1C(=O)c2ccc(O)cc2C1=O 13588622 WMHFSCVKPHKILO-UHFFFAOYSA-N 367.405 2.770 0 1 FFAF COc1ccc(NC(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1 13687372 QHMGJVQGUNNSPA-UHFFFAOYSA-N 358.379 2.835 0 3 FFAF CCCOc1ccc(NC(=O)OC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 13755581 BCSVRKXVYOXOHF-UHFFFAOYSA-N 371.397 2.599 0 1 FFAF CCNc1nc(Nc2cn(C3(C)COC3)nc2C)ncc1C(F)(F)F 205702046 KFZKLAILHANAQN-UHFFFAOYSA-N 356.352 2.921 0 1 FFAF N=c1cc(SCc2nn(-c3ccccc3)nc2C(F)F)c2nn[nH]c2[nH]1 1857621326 MURSOJYDHBVUKN-UHFFFAOYSA-N 374.380 2.576 0 1 FFAF Cc1ccc(S(=O)(=O)NCCSCc2ccc(CN(C)C)o2)cc1 1252083747 WHNXBZQVRSNALD-UHFFFAOYSA-N 368.524 2.861 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356399471 WHGSMDTWNZJGPS-WDYCEAGBSA-N 370.449 2.520 0 1 FFAF CSc1ncc(C(=O)NCCCN2CCc3ccccc3C2)c(C)n1 6938046 YZRMDYZTODZJAD-UHFFFAOYSA-N 356.495 2.685 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632402 FMGVKMYXCXDASO-GUYCJALGSA-N 367.474 2.943 0 1 FFAF CCc1ccc(CCOc2ccc3c(c2)OC(=O)[C@@H](C(=O)OC)C3)nc1 27088937 LMDZLUQBEMSKDT-QGZVFWFLSA-N 355.390 2.516 0 1 FFAF CC=C(C)C(=O)O[C@H]1[C@H](O)[C@](C)(O)CCC[C@@H](C)CC[C@H]1C(C)(C)O 2356416364 QWQGNRPTPFJNKA-ZHKLBRLOSA-N 356.503 2.964 0 1 FFAF C[C@@H]1C[C@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@]12C[C@H](c1ccco1)OC2=O 2356566846 WXMNNRDFSZJCML-UDQNXUTNSA-N 358.390 2.534 0 1 FFAF CC(C)Nc1cnnc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 25967217 DMJVFNWQBVJVKJ-UHFFFAOYSA-N 364.453 2.741 0 1 FFAF COc1cccc2c(O)c3c(c(O)c12)C(=O)C[C@](C)(O)[C@@H]3[C@H](C)OC(C)=O 2356799795 UWKGMILNJMBASL-COYMSDOXSA-N 374.389 2.632 0 1 FFAF Cn1c(O)c(C2=NO[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)c2ccccc21 3846566 VFHANEXFMCRYKO-MRXNPFEDSA-N 364.357 2.839 0 1 FFAF biogenic Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccc2c(c1)OCO2 82203908 SVLLBAJQOLXVGZ-ZIAGYGMSSA-N 356.426 2.739 0 1 FFAF Cc1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1 223534354 YQZIOZGTUYUPIU-UHFFFAOYSA-N 352.504 2.583 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@@H]1CC[C@H](C2)N1 96175222 PDTXNUCBVNUQKF-DOMZBBRYSA-N 371.437 2.894 0 1 FFAF CCN(CC)C(=O)Cc1cn(CNc2ccnc3cc(Cl)ccc23)nn1 96934964 ZTRWPARECRWRTA-UHFFFAOYSA-N 372.860 2.960 0 1 FFAF NC(=O)N1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299852952 ZWGQYCJBHPXEPF-UHFFFAOYSA-N 354.439 2.708 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ncccc1C)[C@@H](C2)C3=O 587432386 LFRJEFIIGGHBPT-XOBRGWDASA-N 352.390 2.934 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3nncn3c1C)CC2=O 587488292 IQIATJAIIFBEIY-IBGZPJMESA-N 352.394 2.971 0 1 FFAF CCn1ccc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432171 ORAQYYMPQNUOFO-APNNGBSVSA-N 353.422 2.630 0 1 FFAF COC(=O)C(=O)C[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 587397823 BSKFZJXFIYZCDN-NRFANRHFSA-N 367.401 2.879 0 1 FFAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)s1 587023433 PUSDFENPWPOBQD-UHFFFAOYSA-N 367.822 2.841 0 1 FFAF O=c1[nH]c(Cl)ncc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 223046590 WQXCDHKWKQAQOQ-UHFFFAOYSA-N 368.629 2.672 0 1 FFAF COc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cn1 117611915 NTYHBOJZFBXABN-UHFFFAOYSA-N 352.423 2.911 0 1 FFAF CC(C)CN1CCC(c2cnn(-c3nccc4c(O)ncnc34)c2)CC1 1857547000 CDISMPCRDDJEHH-UHFFFAOYSA-N 352.442 2.752 0 1 FFAF Cn1c(=O)cc(SCC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc21 4143782 ZDGGGOVBOJHAER-GFCCVEGCSA-N 366.870 2.579 0 3 FFAF CCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 25984773 RJOTWZQVHIRPMM-GFCCVEGCSA-N 351.406 2.933 0 1 FFAF CN(C)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1 64550102 ZGFGFQUPXGGIOJ-UHFFFAOYSA-N 358.352 2.637 0 1 FFAF CN(C)CCCNc1nc2cc(-c3ccccc3CO)sc2c(=O)n1C 61929314 JADOPRYHPQKGHU-UHFFFAOYSA-N 372.494 2.518 0 3 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@H](O)[C@]32C)C(=O)O[C@@H](C2=CCC=C2)C1 2356779498 UGXXCRBYJNNERL-WKRCXCSHSA-N 356.418 2.908 0 1 FFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc2cccnc12 2356842988 NANWRBHKEGDIPR-PVAVHDDUSA-N 359.495 2.634 0 1 FFAF COC(=O)C1=C(N2CCCCC2)[C@H]2c3ccccc3S[C@]12C(=O)OC 36152495 LKDSIRXDWPTAGQ-KUHUBIRLSA-N 359.447 2.714 0 1 FFAF C[C@@]1(CO)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 14637752 VXHLKWUURGGYHM-FQEVSTJZSA-N 368.341 2.733 0 1 FFAF biogenic Cc1cc(-c2nccc3c(OC(C)C)cc(N4CCOCC4)nc23)n[nH]1 1911582199 NARFSMOJABSMBW-UHFFFAOYSA-N 353.426 2.952 0 1 FFAF Cc1cccc(-c2nc(O)c(O)c(C(=O)N[C@H](C)C3CCCCC3)n2)n1 1911578556 NQIZPDFFASRLCR-GFCCVEGCSA-N 356.426 2.957 0 1 FFAF COc1ncccc1-c1cc(-c2ccc(S(C)(=O)=O)cc2)cnc1N 84670482 APLOJPMENFWIPG-UHFFFAOYSA-N 355.419 2.805 0 1 FFAF COc1cc(Cc2n[nH]nc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 84669348 FCCUDNYPFKCIJR-UHFFFAOYSA-N 369.377 2.817 0 1 FFAF COc1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC 45226657 BRGKGYBAUVQTAV-UHFFFAOYSA-N 356.382 2.990 0 1 FFAF CCN(C)c1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c12 95562146 PZECAZVVKYJHFH-UHFFFAOYSA-N 367.434 2.855 0 1 FFAF O=Cc1ccc(OCc2occc2-c2nc3c(O)nc(S)nc3[nH]2)cc1 586902205 VXUOYFPXHODVMH-UHFFFAOYSA-N 368.374 2.999 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNc3[nH]cnc32)N1 587804007 QLOKUNGBINARIH-GLEZIHRCSA-N 364.222 2.543 0 1 FFAF C=CN1CC[C@@H]([C@@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393426 IHHYSFGLHZQNCR-IERDGZPVSA-N 363.417 2.825 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587439713 MOAHHQBNYXVLCD-RNODOKPDSA-N 370.357 2.656 0 1 FFAF COc1nccc2nc(-c3cncc(I)c3)[nH]c12 587185094 PWKVHHSDJFXLBP-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF CN1CCc2cn(C)nc2[C@@]12CCc1c(F)ccc(Br)c12 963953673 CAWUOWDQGDLZER-INIZCTEOSA-N 350.235 2.999 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccncc1)(c1ccc(N)cc1)NCC2 962931578 OKPKAOYNLRTXAX-HSZRJFAPSA-N 372.472 2.803 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](C)O)ncc12 1772657835 LETWRJAYEWXVSR-BDJLRTHQSA-N 355.398 2.600 0 1 FFAF COc1cc(C[C@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 5999112 MHXCIKYXNYCMHY-MDOVXXIYSA-N 360.406 2.654 0 1 FFAF biogenic,in-vitro COc1ccccc1CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 13521328 MRQUXZFRUHRQSP-UHFFFAOYSA-N 361.401 2.958 0 3 FFAF O=c1[nH]c2ccc(CCN3CCN(c4ccccc4O)CC3)cc2s1 13779679 YYHUNNIKFHJFOE-UHFFFAOYSA-N 355.463 2.660 0 1 FFAF COc1ccc(N=c2[nH]c(NC3CCN(C)CC3)ncc2F)cc1Cl 1857545921 GAAWBNXNPRJDSW-UHFFFAOYSA-N 365.840 2.949 0 1 FFAF COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)c(OC)c1 929421 QHVPANCOGPZVOR-UHFFFAOYSA-N 363.439 2.858 0 3 FFAF O=c1c2ccccc2ncn1CCCCN1CCN(c2ccccc2)CC1 28866106 XRXVZFVFIDKFOR-UHFFFAOYSA-N 362.477 2.999 0 1 FFAF COC[C@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@@H]1C)C[C@H](O)[C@@H]2C 2356678469 IGUFYHFJOVSYRH-RLKRGKIASA-N 350.499 2.680 0 1 FFAF CCOC(=O)[C@H]1CC(C(=O)c2ccccc2N)=NN1Cc1ccccc1 40402652 QBYLGUXGNDYFDQ-GOSISDBHSA-N 351.406 2.645 0 1 FFAF O=C1C[C@H]2CCc3cc(OC4CCN(C5CCC5)CC4)ccc3C2=NN1 84670692 HATYSQMZVOJUBT-OAHLLOKOSA-N 353.466 2.869 0 1 FFAF NS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 1911573792 LNAIETLFCWWVKK-UHFFFAOYSA-N 368.430 2.563 0 1 FFAF C1=C[C@H]2N=CC[C@@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 45352486 NJAMOMUODHNEMA-DLBZAZTESA-N 362.437 2.561 0 1 FFAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1 84728724 ROULPWBIPBUFHM-UHFFFAOYSA-N 367.430 2.500 0 1 FFAF CO[C@@H]1CC[C@@]2(C)[C@@H]3[C@@H](CC[C@@H]2C1)[C@@H]1CC[C@@H](NCCN)[C@]1(C)C[C@H]3O 299872384 FFSMUXROXURAGP-BYAGCXBUSA-N 364.574 2.932 0 1 FFAF aggregator Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1 653767974 QIFBQOZLXFZMLD-UHFFFAOYSA-N 364.405 2.767 0 1 FFAF Cc1c(Br)cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1C 587253883 NGCAIXNPUKPQSU-UHFFFAOYSA-N 350.216 2.947 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)O)c2[nH]1)C(C)C 586932497 GGAWCFUUPOUZHR-ZDUSSCGKSA-N 353.444 2.678 0 1 FFAF COC(=O)c1ccnc2[nH]c(C(F)(Br)Br)nc12 587087707 SYCNJZROCOERCG-UHFFFAOYSA-N 366.972 2.614 0 1 FFAF COc1ccc([C@@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440814 CTYXRJXSNGHVIV-DYESRHJHSA-N 368.385 2.910 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386583 ZZHLWGXIWRHKJE-HXUWFJFHSA-N 371.364 2.709 0 1 FFAF CCOC(=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228138 GWFXCRUIZWOYKP-UHFFFAOYSA-N 351.406 2.641 0 1 FFAF O=C(COc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1)N1CCCC1 963328179 DFHQCBBUAFPOJU-NRFANRHFSA-N 352.434 2.629 0 1 FFAF CN1CCc2cn(C)nc2[C@@H]1c1c(F)ccc(C2OCCO2)c1Cl 963956286 VKBDCAINWUIVCH-INIZCTEOSA-N 351.809 2.835 0 1 FFAF NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl 15344253 RJDMKEUKPUTKRX-UHFFFAOYSA-N 359.234 2.571 0 1 FFAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCS2(=O)=O)cc1 13643008 RLTFKHPSPUGIRA-GFCCVEGCSA-N 374.466 2.569 0 1 FFAF COc1cccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1 19565863 LBPQZXZDKATZAP-UHFFFAOYSA-N 356.474 2.509 0 3 FFAF CC(C)(C)CCNC(=O)c1cccc(N2CCc3nc(N)ncc3C2)c1 169710058 MMVWWWAAOVTNMQ-UHFFFAOYSA-N 353.470 2.788 0 1 FFAF COc1cc(/C=C/C(=O)NCC(=O)c2c[nH]c3ccc(O)cc23)ccc1O 200368787 CXZBWXCAWJVVHH-XVNBXDOJSA-N 366.373 2.600 0 1 FFAF CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCCCC1)C2 201482889 WPIRCTPTBHEIOW-IIBYNOLFSA-N 374.481 2.629 0 3 FFAF CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CC1 1857605339 UVBCEQOTQRQSDX-UHFFFAOYSA-N 359.861 2.758 0 1 FFAF CCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F 3020758 CKNWVAZGMVTSJK-CHWSQXEVSA-N 356.463 2.632 0 1 FFAF O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356390955 NKMRIFKDNNKEFL-XOBRGWDASA-N 354.358 2.735 0 1 FFAF O=C(CN1C(=O)CSc2ncccc21)N[C@@H]1CCCc2ccccc21 6802499 RSUOYNJLRXOEPW-OAHLLOKOSA-N 353.447 2.714 0 1 FFAF N=C(N)SCCOc1ccc([C@H]2CC[C@](O)(CC(=O)O)CC2)cc1 100903262 HOXIROCGWLMYJZ-XFHMXUHZSA-N 352.456 2.555 0 1 FFAF CC(C)NC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284820 KIXKJNJCHBOALF-AWEZNQCLSA-N 369.465 2.859 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccccn4)C[C@H]3F)[nH]c2c1 2356301969 IZKZRBBMBLTPJH-CRAIPNDOSA-N 356.401 2.706 0 1 FFAF CC(C)C[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O 61921409 XZGYKMZUBZSMIC-OAHLLOKOSA-N 370.359 2.890 0 3 FFAF COc1ccc(C2=C(c3ccc(NS(C)(=O)=O)cc3)COC2=O)cc1 28640990 GUJMAVDSPAQSHW-UHFFFAOYSA-N 359.403 2.534 0 1 FFAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 27767028 FKJWXENQWKBJRW-WZDHNVIASA-N 367.489 2.751 0 1 FFAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356484226 NCFPQWWUPUPGCB-IPMKNSEASA-N 374.529 2.972 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356648450 ASSKEBJNTODDTF-HUUCEWRRSA-N 367.453 2.750 0 1 FFAF CCN(CC)c1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1 28824331 PPVAYAMZKNJFQY-UHFFFAOYSA-N 366.853 2.528 0 1 FFAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@@H](CO)C(=O)OC 33832047 RGXKJLTVROJBKZ-SDDHILMUSA-N 354.450 2.815 0 1 FFAF O=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)c1ccc(F)cc1 40861282 KVSLLBNUSOXCEW-UHFFFAOYSA-N 363.352 2.559 0 1 FFAF c1cnnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)c1 225666176 RIFFHJVLGCOPKY-UHFFFAOYSA-N 358.405 2.919 0 1 FFAF CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82224183 RUYLJQJSQPPINP-HUUCEWRRSA-N 368.437 2.582 0 1 FFAF Cc1cccc([C@@H]2CCNC[C@@H]2Nc2ccc(C(N)=O)c3ncncc23)c1 143807038 YRFHMPCAMBSNJH-KXBFYZLASA-N 361.449 2.595 0 1 FFAF O=c1n(CCc2ccc3ccccc3n2)nc2c(-c3ncco3)cccn12 147657336 RHKGYHDJJGRRGV-UHFFFAOYSA-N 357.373 2.942 0 1 FFAF CCOC(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 587225381 QGKHTFJBSVDJPD-ZDUSSCGKSA-N 367.405 2.823 0 1 FFAF Cc1nc(Br)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587011919 SVUNDDUPEWSAEG-UHFFFAOYSA-N 362.216 2.733 0 1 FFAF CCOCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587402065 WVCZLYAZGNLVGA-OAQYLSRUSA-N 366.417 2.821 0 1 FFAF C[C@@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588095 RVOKPILRRYPBMP-KXBFYZLASA-N 367.313 2.955 0 1 FFAF CCOC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573270 SMZGWPLUNSTQHI-DKSSEZFCSA-N 371.345 2.811 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(C(C)C)c(O)n1 587873034 UEKGNFUFPPGXRP-UHFFFAOYSA-N 358.373 2.920 0 1 FFAF FC(F)(F)c1nn(CCc2nc3cncnc3[nH]2)cc1Br 587118983 SWZPJNMJOHNJAB-UHFFFAOYSA-N 361.125 2.573 0 1 FFAF Clc1cccc2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 963392428 ZWNXQPMRMDMQER-UWAPZEDQSA-N 355.865 2.812 0 1 FFAF CCn1cc([C@@]2(CC(=O)C(F)(F)F)NCCc3ccc(O)cc32)cn1 963342663 RHEZXFYWJSFXPY-MRXNPFEDSA-N 353.344 2.519 0 1 FFAF Cc1cc(F)cc2c(=O)nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c12 210845979 PPGDXAFAEKIBAL-UHFFFAOYSA-N 352.413 2.789 0 1 FFAF CC[C@H](O)COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599847 QIQCJKPIRPGNPJ-OCCSQVGLSA-N 369.425 2.990 0 1 FFAF CCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 169305054 BABPEVGDVNDYLO-UHFFFAOYSA-N 365.480 2.943 0 1 FFAF N#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3cccc4c[nH]nc34)cn2)C1 1857562881 XAOOXRZEETUMFG-LJQANCHMSA-N 364.384 2.849 0 1 FFAF O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CNC1 1857575894 XYDMUEIEBFAPHD-UHFFFAOYSA-N 370.503 2.828 0 1 FFAF CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccccc23)C1 3976206 GRRHCXMSSPAKML-CQSZACIVSA-N 355.463 2.880 0 1 FFAF Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247005 PWUMXBLOOZZPTL-YLQRYCESSA-N 362.495 2.972 0 1 FFAF CCc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703276 FGVINJIMIOEDTO-MRXNPFEDSA-N 365.433 2.860 0 1 FFAF C[C@H](Nc1nc(N)nc(NCCc2cccnc2)n1)c1ccc(F)cc1 28346297 JUTGBMAUJDGJGB-LBPRGKRZSA-N 353.405 2.816 0 1 FFAF O=c1ccc2cc(OC[C@H](O)CNCc3ccc(Cl)cc3)ccc2[nH]1 27183593 SWXMNPKNSIWNMZ-MRXNPFEDSA-N 358.825 2.711 0 1 FFAF CCOC(=O)c1c(C)oc2nc(Nc3ccccc3)nc(NCCO)c12 64513855 BHQYXQJGOSUXHL-UHFFFAOYSA-N 356.382 2.856 0 1 FFAF Cc1nn(-c2ncccn2)cc1CN1CCC2(CC1)OCc1ccccc12 40894488 BINOXUJJDNEMFH-UHFFFAOYSA-N 361.449 2.992 0 1 FFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894847 NNDLDBAPAQCFGH-ONTIZHBOSA-N 372.509 2.554 0 1 FFAF NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)C1CC1 473165196 QYHIRKYXARPLJN-UHFFFAOYSA-N 352.419 2.909 0 1 FFAF CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 587211144 CQQUNCPKCCZJQN-SCLBCKFNSA-N 367.401 2.600 0 1 FFAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=N)N)cc2[nH]1 587065481 RLZQKPCPNTWWSN-UHFFFAOYSA-N 358.785 2.900 0 1 FFAF COC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836845 XWUYPKZLANGPBL-RCAYSMOQSA-N 372.234 2.527 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807206 LLIMESDAVMTPQV-YYDSMBMDSA-N 372.234 2.716 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3cc(F)ccc31)O2 587384402 LLJBTTMSMQLMFV-IBGZPJMESA-N 355.321 2.938 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=CC=CN3C=CN[C@H]13)N(C)[C@@H](C)C2 962617278 BZKZTJQXKINKDY-WVFSVQOHSA-N 353.466 2.952 0 1 FFAF Oc1ccc2c(c1)[C@@H](c1cccc(OCCCN3CCOCC3)c1)NCC2 963329404 NVALABCKHIEIJT-JOCHJYFZSA-N 368.477 2.728 0 1 FFAF CC(C)(O)[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 14821068 DDJDLXLOVVZKAD-SNDCPDFKSA-N 354.487 2.568 0 1 FFAF COc1ccc2c3c1OCc1c(ccc4c1OCO4)C3=C1C(=O)OC[C@@H]1C2 169379359 CCASLFQJXHLOQU-NSHDSACASA-N 364.353 2.847 0 1 FFAF COc1ccc([C@H]2CC(=O)CCN2S(=O)(=O)c2ccc(F)cc2)cc1 206062267 KJNXTKAHNAHRED-GOSISDBHSA-N 363.410 2.929 0 3 FFAF Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857640434 KRGQLLZBQSLCGH-HNNXBMFYSA-N 352.415 2.906 0 1 FFAF COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1N 324013632 JTKQORXSWCWKRC-UHFFFAOYSA-N 372.830 2.749 0 1 FFAF Cc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)s1 117366235 OKRJSUCETUOTEB-UHFFFAOYSA-N 369.490 2.776 0 1 FFAF Cc1cccc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)n1 27319618 QUUOLPBTSHWEGE-MRXNPFEDSA-N 371.462 2.799 0 1 FFAF COc1ccc(CC(=O)N2CC[C@@H]3COC(=O)N3c3ccccc3C2)cc1 2356435760 NZFSHOYOWZKKMQ-QGZVFWFLSA-N 366.417 2.995 0 1 FFAF CCN(CC)CCSc1nc(-c2cnc3nc(C)ccc3c2O)n[nH]1 33917376 KQFBOVSPARXCLY-UHFFFAOYSA-N 358.471 2.863 0 1 FFAF C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(F)c2)c1 219159902 KLMUQZGRDYJZOT-GFCCVEGCSA-N 354.381 2.954 0 1 FFAF C[C@@H]1C[C@@H](O)C2=C(C[C@@H]3C[C@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O 1911571100 MFHOMRGXWAMDNN-DRKYDLJSSA-N 358.390 2.677 0 1 FFAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 253952034 WSFPEOPUUJFNEF-MYGLTJDJSA-N 371.569 2.967 0 1 FFAF N#Cc1ncc2nc1OCC=CCOc1ccc(Cl)cc1NC(=O)N2 299808917 CLMKDPCLPSLNFI-UHFFFAOYSA-N 357.757 2.973 0 1 FFAF CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)c(F)c2)cc1 621478434 SNRFAEBIXPIVBS-UHFFFAOYSA-N 356.806 2.781 0 1 FFAF COC(=O)C[C@@H]1Nc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C 299865252 TUVUPLJKKGINSY-AWEZNQCLSA-N 350.374 2.851 0 1 FFAF COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cn1 587234789 WGRANXCOTCPRAR-UHFFFAOYSA-N 360.414 2.830 0 1 FFAF O=C(NCc1nc2cc(Br)c(F)cc2[nH]1)c1cscn1 587027462 DLQMKQJZFYQDSU-UHFFFAOYSA-N 355.192 2.851 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963674 QCPZAOQWUGLVOZ-OLZOCXBDSA-N 363.483 2.799 0 1 FFAF CN(C)[C@@H](Cn1c(O)cc(C(=O)O)c1O)c1cccc(Br)c1 587939719 KUTWENAIVSNGPA-LBPRGKRZSA-N 369.215 2.663 0 1 FFAF O=S(=O)(CCc1nc2ccc(CO)cc2[nH]1)c1ccc2c(c1)CCC2 586922838 SYWNATXXKAQTFS-UHFFFAOYSA-N 356.447 2.560 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCN(C)C1=O)O2 587394800 JBJRJHMOCMHDFR-IIBYNOLFSA-N 350.418 2.916 0 1 FFAF Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C 13675149 CUCYVGNNTAIIAN-UHFFFAOYSA-N 363.425 2.796 0 1 FFAF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)N1CCCC1 1857551040 OKMOBFWLVBTXFJ-UHFFFAOYSA-N 371.481 2.897 0 1 FFAF CC[C@H]1Cc2ccccc2N1C(=O)c1cnn(-c2nc(C)cc(O)n2)c1C 1857616169 MBVMXHNTLDUOLU-HNNXBMFYSA-N 363.421 2.966 0 1 FFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CCNCC4)cc3)ccc12 58590580 OOJBJQUQEZPXMG-UHFFFAOYSA-N 373.460 2.556 0 1 FFAF N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@]1(F)C(=O)O 29124031 HVYIQBGXHPRJMO-VDGAXYAQSA-N 371.364 2.909 0 1 FFAF Nc1nc2cc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116255408 XBSUTDVKJQPBMD-QFIPXVFZSA-N 370.412 2.995 0 1 FFAF COC(=O)[C@@H]1C[C@@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2OC)[C@H]31 2356420265 URDXZVLEWZYTSQ-SAWGIJKRSA-N 368.477 2.555 0 1 FFAF C[C@@H]1C[C@H](O)C2=C(C[C@H]3C[C@@]2(C)C(=O)O3)[C@]12C[C@H](c1ccoc1)OC2=O 2356600448 MFHOMRGXWAMDNN-NQKXUBFFSA-N 358.390 2.677 0 1 FFAF C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26004732 ABSJHJJNVMBAHU-ZWKOTPCHSA-N 361.804 2.866 0 1 FFAF CC[C@H](C)[C@@]1(OC)NC(=O)[C@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O 2356788133 BXXKDKYMYMHCKH-APXLUKDGSA-N 373.453 2.577 0 1 FFAF Nc1nc(-n2ncc3ccccc32)nc(NCC2CC2)c1Br 217065333 OFWOOSRVYJIHGB-UHFFFAOYSA-N 359.231 2.982 0 1 FFAF Cc1ccc(Cn2cc(CSc3nnc(-c4cnccn4)o3)nn2)cc1 1911585084 HIUWHFZEABSOOT-UHFFFAOYSA-N 365.422 2.767 0 1 FFAF CC(C)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O 40951578 JNVAOIYYYLQSJE-UHFFFAOYSA-N 369.396 2.744 0 1 FFAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ncc[nH]c-3n2)c1 587157088 VRKLBWHPPVNRDG-UHFFFAOYSA-N 369.381 2.911 0 1 FFAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587935738 ISNOELDPDYFEDB-QLJPJBMISA-N 362.407 2.655 0 1 FFAF CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395931 WIEXVORCUYEDFX-BTYIYWSLSA-N 366.417 2.877 0 1 FFAF CCC1=C(C)N[C@@H]2N(CCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O 587396159 XBWNDZSPVWDUGZ-WOJBJXKFSA-N 355.438 2.517 0 1 FFAF C[C@@H](Oc1ccc([C@]2(C)NCCc3nc4ccccn4c32)cc1)C(=O)O 962984593 DZBUWKJJGGTCQW-XCLFUZPHSA-N 351.406 2.595 0 1 FFAF CNCc1cn(S(=O)(=O)c2cccs2)c(-c2cccnc2F)c1F 116579559 KXCQTJYOBFDULJ-UHFFFAOYSA-N 369.418 2.846 0 1 FFAF O=C1OCc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 1772613490 VZLDZCHYLYEACU-UHFFFAOYSA-N 356.809 2.973 0 1 FFAF CCN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11712714 CCXSTHUXBVVOBE-SFHVURJKSA-N 360.502 2.551 0 3 FFAF Cc1nc(C(=O)N2CCOCC2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 13478244 GXNXQOLLARWYAR-LJQANCHMSA-N 371.462 2.964 0 3 FFAF CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1 13560175 HKVGUNQUKFESHS-UHFFFAOYSA-N 363.889 2.637 0 1 FFAF COc1ccc(NC(=O)CSc2nnnn2[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 169298030 FGQLRTRSYCXMCD-LALPHHSUSA-N 357.439 2.550 0 1 FFAF CCS(=O)(=O)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 169361293 GTDDIUJHWPRGSU-ZWOKBUDYSA-N 372.442 2.983 0 1 FFAF COc1ccc(OC)c([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726075 LNBNGWSJRBOHKT-WBVHZDCISA-N 352.415 2.935 0 1 FFAF NC[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205247163 OAFGYLXZSSMPQW-CQSZACIVSA-N 371.448 2.867 0 1 FFAF Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1 28950556 LKLIRPMEYRVLFV-UHFFFAOYSA-N 371.422 2.625 0 1 FFAF in-vitro O=C(c1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 100101583 YCDYRPBDUYBVGO-WKCHPHFGSA-N 356.429 2.724 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 27413240 TWDGPDQAFOBTKP-HNNXBMFYSA-N 368.368 2.626 0 1 FFAF CNC(=O)C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1CSC 61923628 LGKSESYQJIWNLY-ZWNOBZJWSA-N 371.300 2.527 0 3 FFAF NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1 63298121 YEHCNYAQEBQCCS-UHFFFAOYSA-N 365.418 2.812 0 1 FFAF Cc1cc2ccccc2n1CCC(=O)N1CCC[C@](O)(CN(C)C)CC1 72167316 WURNBTITZZWDEJ-OAQYLSRUSA-N 357.498 2.645 0 1 FFAF C[C@]1(O)CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O 14558421 GXVJLBUSARFIRR-DWAYXNRCSA-N 360.406 2.901 0 1 FFAF biogenic O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2cccs2)n1 82085932 PFYNBJJARLYAGR-CQSZACIVSA-N 358.419 2.711 0 1 FFAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C[C@H]21 14765557 MAGPJVVGBCSWPF-OAHLLOKOSA-N 357.406 2.779 0 1 FFAF biogenic C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)[C@@H](O)CC[C@@]4(C)C(=O)O)(COC1=O)C2 144313386 GWEOMVLJOZCRGT-VOLALLRDSA-N 350.455 2.998 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3c(O)c2C[C@@H]1O 95486236 MNLJIMJUILKMPY-AWEZNQCLSA-N 370.357 2.651 0 1 FFAF biogenic,in-vitro C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)C1=CCC[C@]23O 85693009 LKBDFALVRKSVEK-MXOMYUGUSA-N 358.390 2.678 0 1 FFAF biogenic CN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1 473155037 OLVBRIDMPHNYHK-UHFFFAOYSA-N 362.477 2.904 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccnc(Br)c2[nH]1 587094179 LSFXCFBLPUSYDL-YFKPBYRVSA-N 351.126 2.850 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1 586921073 BQHUSSAWOHWPGJ-UHFFFAOYSA-N 358.419 2.719 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586915338 CYQFIDMHAYAUCD-QGHHPUGFSA-N 357.801 2.587 0 1 FFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 586941288 RUURGPBYIHRJAV-KTKRTIGZSA-N 371.418 2.660 0 1 FFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1cccc2ncccc12 587557554 KIIIBLRVPIOBFZ-UHFFFAOYSA-N 371.360 2.540 0 1 FFAF CC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O 14643701 HYKSEGAIZVBXBH-PMACEKPBSA-N 372.373 2.826 0 1 FFAF biogenic C/C=C1/CNCC[C@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@H]3C(=O)OC 14693859 IWHCGBPCBYWRBB-SUYVXTAJSA-N 368.477 2.666 0 1 FFAF Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1[C@@H]1CNCCO1 150024285 ANRRNDVWLJQNIX-AWEZNQCLSA-N 372.322 2.961 0 1 FFAF CCSCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 169686650 GRBKZWVDAPXSJX-CABCVRRESA-N 364.423 2.553 0 1 FFAF O=C1CCc2cc(/C=C/C(=O)N3CC[C@H](Oc4ccccc4)C3)cnc2N1 169707513 MIUDHBYEEHQKIE-YOCVDRLZSA-N 363.417 2.659 0 1 FFAF CCc1nc2c(N3CCNCC3)ccnc2n1Cc1cc(F)ccc1F 1857630441 XGLXVIJYFNEZKZ-UHFFFAOYSA-N 357.408 2.730 0 1 FFAF O[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356390952 NKMRIFKDNNKEFL-VBKZILBWSA-N 354.358 2.735 0 1 FFAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]341 27767035 FKJWXENQWKBJRW-GWMQCAHOSA-N 367.489 2.751 0 1 FFAF O=C(O)c1cc(Br)cc(C(=O)NCc2ccc(F)cc2)c1O 66075146 FEYPDTLZCOGCCH-UHFFFAOYSA-N 368.158 2.922 0 1 FFAF Cc1c(C(=O)NCCc2ccccc2Cl)sc2ncn(C)c(=O)c12 34861429 ZPBDNNOXFPZCGD-UHFFFAOYSA-N 361.854 2.929 0 1 FFAF CCc1cc(C(=O)Cc2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)O 4745881 MNGWFUJAGXHXCT-UHFFFAOYSA-N 372.373 2.615 0 1 FFAF biogenic CC1(C)OC[C@H](CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)O1 199391025 DGMGDNSVAQHTAV-NSHDSACASA-N 369.343 2.977 0 3 FFAF Nc1nc(CSc2ccccc2)nc2c1nnn2C[C@@H]1CCCCO1 84688762 KQMKVTQGWRJHQS-LBPRGKRZSA-N 356.455 2.665 0 1 FFAF Cc1ccc(N2C(=O)C[C@@H](Sc3nncn3-c3ccccc3)C2=O)cc1 299867221 XRYMPEYWZQAWLC-MRXNPFEDSA-N 364.430 3.000 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CO)on2)N1 587791059 FHQHSGMUWFBLEG-ANRSDYALSA-N 355.207 2.866 0 1 FFAF COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 586925151 WISZNJYGQSKABC-UHFFFAOYSA-N 356.831 2.860 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174668 RBLCEVAESCCTDL-CQSZACIVSA-N 361.398 2.629 0 1 FFAF O=C(N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)C(=O)O)OCc1ccccc1 587203382 OVIUKGQMDFGMPY-LBPRGKRZSA-N 374.784 2.533 0 1 FFAF CCS(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587149035 CMMRSRIHDUJHKP-HNNXBMFYSA-N 351.378 2.683 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c12 586951010 PUDNGOMLJHOPLT-UHFFFAOYSA-N 374.422 2.562 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2ccccn2)(c2cccnc2)N1 962906961 RUIHHUXJHXYKKW-RXVVDRJESA-N 363.392 2.701 0 1 FFAF CCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C 206167445 BHGWAYPKDAJJSK-UHFFFAOYSA-N 369.421 2.609 0 1 FFAF CC(=O)Nc1cc(C)nc([C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 1772622551 ILWPUMUQJZDDAZ-AWEZNQCLSA-N 355.442 2.825 0 1 FFAF N#CN1CC[C@@H](N2CCCN(c3nc(-c4ccccc4)cs3)C2=O)C1 1857566880 KYSZVTIOUUTKKL-OAHLLOKOSA-N 353.451 2.998 0 1 FFAF COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1=N 1861349 NTBNDNDZCRRSMR-UHFFFAOYSA-N 365.842 2.794 0 1 FFAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Cl)cc1 7551141 AVCXRRKTQSJLEL-HNNXBMFYSA-N 366.801 2.718 0 3 FFAF COc1cccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1 103241908 IEPWPHCNHKKYTB-UHFFFAOYSA-N 355.375 2.636 0 1 FFAF Cc1ccc(CN(C)C[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27186290 GQWWFPOCUOFULY-SFHVURJKSA-N 352.434 2.708 0 1 FFAF COc1cc(O)c2c(c1)O[C@H]1c3cc(OC)c(OC)cc3CO[C@@H]1C2=O 2356500351 URESVQATQYONNI-RBUKOAKNSA-N 358.346 2.633 0 1 FFAF Cn1c(NCC(=O)c2cccc(Cl)c2)nc(-c2ccncc2)cc1=O 38477287 YWQQTRBSEGVZCX-UHFFFAOYSA-N 354.797 2.791 0 1 FFAF COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H](O)[C@]2(C)O 34096300 RLIDANZRUPSFBE-GNWRFUQESA-N 370.530 2.901 0 1 FFAF O=C(c1cnc(NCC2CC2)nc1-c1ccc(F)cc1)N1CCOCC1 82136323 DTYIFRKAINYEPU-UHFFFAOYSA-N 356.401 2.577 0 1 FFAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](CO)NC4=O)c2nc1NC(C)(C)C 222338636 LYKLXICYCIJMAH-OAHLLOKOSA-N 365.437 2.921 0 1 FFAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=O 49125843 VTNZEILTURARBQ-UHFFFAOYSA-N 351.387 2.995 0 1 FFAF Nc1ncnc2c1c(-c1ccc3ncccc3c1)nn2CC1CCNCC1 84672231 LFGFBHLKVWXYOK-UHFFFAOYSA-N 359.437 2.623 0 1 FFAF Cc1ccc([C@@H]2SCC(=O)N2Nc2ccc(S(C)(=O)=O)cc2)cc1 84672283 RHYIWAFPYAGSFF-KRWDZBQOSA-N 362.476 3.000 0 1 FFAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3c(nc(CC(C)C)n3C)c21 40413501 CQORRXBUIMZGJM-UHFFFAOYSA-N 358.417 2.605 0 1 FFAF CC[C@]12CCCN3CC(=O)c4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 33854436 CSZMJHLPPJDDBA-GIVPXCGWSA-N 368.433 2.593 0 1 FFAF biogenic CC(C)CC[C@@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 38252619 CCBMUUXDFOSMHA-FQEVSTJZSA-N 374.389 2.732 0 1 FFAF biogenic CN1CCN(c2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)CC1 586908603 OHKUSRXCDMYERD-UHFFFAOYSA-N 362.433 2.953 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(=N)[nH]cc3[nH]2)cc1 587041002 SFAPJRGYJMPCDA-HNNXBMFYSA-N 369.450 2.657 0 1 FFAF Cc1cnc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 587169741 JBQZNVXVJYZNAE-UHFFFAOYSA-N 368.821 2.880 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cncn1C)CC2=O 587469876 HVTJVDZELZUWCL-HXUWFJFHSA-N 372.421 2.892 0 1 FFAF C[C@@H](Oc1cccc([C@]2(C)c3ccsc3CCN2C(N)=O)c1)C(=O)O 962705469 NSOPVQZCMFECIC-ADLMAVQZSA-N 360.435 2.800 0 1 FFAF COc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1S 963472066 OVUYYMNSNUJLQB-IFXJQAMLSA-N 359.447 2.860 0 1 FFAF CCOC(=O)COc1ccccc1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962912647 AGRCKNVSXDGAMU-NRFANRHFSA-N 371.481 2.895 0 1 FFAF O=C1c2c(Cl)cc(Cl)cc2C[C@@H]1NC(=O)[C@@H]1COc2ncccc21 1772645318 QAWCAQCOBWYFOU-YPMHNXCESA-N 363.200 2.788 0 1 FFAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccs1 13125856 QYNAUKMWCMXPLJ-AWEZNQCLSA-N 352.412 2.516 0 3 FFAF O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 13153445 LHQSXNQSQNPTRT-MXSMSXNCSA-N 368.433 2.774 0 1 FFAF CCOC(=O)CCCn1cc(F)c2c(F)c(OC)c(OC)cc2c1=O 13800985 ULPMXVYRGBLNBO-UHFFFAOYSA-N 355.337 2.640 0 1 FFAF COc1ccccc1Nc1nc(NCCO)nc(NCc2ccccc2)n1 14968047 DTQBPPDWCDHMOI-UHFFFAOYSA-N 366.425 2.640 0 1 FFAF c1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)nc1 15779190 DIDZYXSTGJKBGN-UHFFFAOYSA-N 361.405 2.902 0 1 FFAF CC1=NC(=O)N[C@H](c2ccco2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169729706 LEUBPLYBGDDPML-JKSUJKDBSA-N 356.334 2.593 0 1 FFAF CC(=O)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1 1857616644 XWEUCDXQARJJIK-UHFFFAOYSA-N 353.401 2.594 0 1 FFAF CCc1c(C)[nH]c2cc([C@@H]3CCN(CCc4ccccc4)C3)nn2c1=O 19521669 AQHOTFNQEPUUFA-QGZVFWFLSA-N 350.466 2.925 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1[C@@H]1C(=O)Cc2c1ccc1c2OCO1)OCO3 2356321395 LHPNQYJYGLYMGX-VQTJNVASSA-N 365.385 2.582 0 1 FFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NC2CCCC2)C[C@H]1O 2356289669 XSMNXERXJGYSQR-UWHLTILDSA-N 367.493 2.576 0 1 FFAF CNC(=O)CCc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 103299084 HAYXJYRSBSJHEJ-UHFFFAOYSA-N 374.868 3.000 0 1 FFAF CC(C)CC(=O)NC(=O)c1coc(C=CCCC=CC=CC(=O)O)cc1=O 2356415021 XMYHWVMJOYWQFI-UHFFFAOYSA-N 373.405 2.933 0 1 FFAF CCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1ccccc1 100815148 DVCXLZGKWGUOIH-UHFFFAOYSA-N 352.390 2.919 0 1 FFAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@@H](C)N1 103282371 PPEAHANXFUBRRT-BETUJISGSA-N 355.438 2.611 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)c1 61905090 MOJOGGXUFPFVIF-SFHVURJKSA-N 351.406 2.537 0 3 FFAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356574271 SWVDHUZTLUXSGL-DSSIXNNKSA-N 364.526 2.783 0 1 FFAF COc1cccc(N2CCN(CC[C@H](O)COc3ccccc3)CC2)c1 29487073 QPICHVSQEXFDIS-IBGZPJMESA-N 356.466 2.647 0 1 FFAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C 61902733 SZWMWSKVWLFFDH-INIZCTEOSA-N 357.376 2.930 0 3 FFAF CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]12)OCO4 33830928 IQUGPRHKZNCHGC-JBACZVJFSA-N 367.401 2.505 0 1 FFAF biogenic,in-vitro Cc1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 49021823 DRICLRZTFTWYHP-BYNQJWBRSA-N 366.628 2.521 0 1 FFAF CC(C)(O)[C@@H]1CC[C@@]23CC[C@@H](C[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 14820728 XDRGGLWZWWTJOH-FOQSWYGASA-N 354.487 2.568 0 1 FFAF biogenic Cc1ccccc1[C@@H]1CC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 40422285 OYYGYVGHLSLCSL-FQEVSTJZSA-N 363.461 2.617 0 1 FFAF COc1ccc(S(=O)(=O)n2nc(C)cc2NC(=O)c2ccccc2)cc1 45319157 BMXTUKUSFSQMAA-UHFFFAOYSA-N 371.418 2.689 0 1 FFAF COc1ccccc1-c1ccc2c(c1)[C@]1(CC(C)(C)O2)N=C(N)N(C)C1=O 95605071 QWZYNEXSMYMWHV-NRFANRHFSA-N 365.433 2.905 0 1 FFAF Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1 149950718 AEBUNQLWKMDXEE-CQSZACIVSA-N 372.322 2.961 0 1 FFAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@@H](CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O 80052470 CFRJFTPTDARZKT-YJPQMCDFSA-N 362.466 2.999 0 1 FFAF biogenic COc1cncc(N)c1-c1nc2cc(I)ccc2[nH]1 587253982 JHCXRCHUIOHFOH-UHFFFAOYSA-N 366.162 2.820 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587447550 BYDAZPSKRBHCMH-HNAYVOBHSA-N 358.415 2.762 0 1 FFAF O=C(c1cnccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656784 OPXGXWZFRVXQTM-UHFFFAOYSA-N 364.311 2.820 0 1 FFAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCOCC1 587596985 STNIKXXPOORXCW-YLJYHZDGSA-N 369.417 2.833 0 1 FFAF O=C(c1nn(-c2ccccc2)cc1O)n1ncc2ccc(Cl)cc2c1=O 587653613 ZEXHETKJQNWFMR-UHFFFAOYSA-N 366.764 2.630 0 1 FFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2cnccn2)n1 117717865 ZVLYZQAHGMPBJX-MRXNPFEDSA-N 367.434 2.513 0 1 FFAF COc1cc(CNc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC 1645530 RNPCDEJLWMQENZ-UHFFFAOYSA-N 369.377 2.966 0 1 FFAF O=[N+]([O-])C(=C1Nc2ccccc2N1)/C(Cl)=C(/Cl)N1CCOCC1 1860589 CJCLURGDRRUBOM-ACCUITESSA-N 357.197 2.949 0 1 FFAF CCC(=O)N1CCc2cc(CNS(=O)(=O)c3cccs3)ccc21 8599375 KKTYDOHZXDEZCT-UHFFFAOYSA-N 350.465 2.526 0 1 FFAF COc1ccccc1C(=O)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356601260 PHRFPCXLPUKZIZ-KSSFIOAISA-N 369.396 2.951 0 1 FFAF CCC=CC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@@H](O)CCCC(=O)O 2356732060 VLLDKSJDBRLUOY-CEXWTWQISA-N 350.455 2.905 0 1 FFAF O=C(NCCN1CCOCC1)c1cccc2ccc(-c3ccccc3)nc12 27324197 AZKAXDVRINMKRF-UHFFFAOYSA-N 361.445 2.964 0 1 FFAF C[C@H]1C[C@@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 36374681 YIPMKFWEORGSOZ-DHARKOIASA-N 360.406 2.614 0 1 FFAF C/C=C1\CN2C(=O)[C@]3(c4ccc(OC)cc4NOC)C[C@H]2[C@H]2CO[C@@H]3C[C@@H]12 36453525 TWUIIOHPTBVCEV-HLKYCOTLSA-N 370.449 2.502 0 1 FFAF Cc1cc2ccccc2n1CCC(=O)N1CCC[C@@](O)(CN(C)C)CC1 72167317 WURNBTITZZWDEJ-NRFANRHFSA-N 357.498 2.645 0 1 FFAF CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 136553174 XZESUBFBZKJUNK-IJXRJRJASA-N 374.396 2.604 0 1 FFAF CC(C)NC[C@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224568539 IFQNGQJMZUVKDY-AWEZNQCLSA-N 374.460 2.870 0 1 FFAF Cn1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)n1 95558226 WBNQNCMIKFGMCR-UHFFFAOYSA-N 369.473 2.549 0 1 FFAF O=C(Nc1ccccn1)c1ccc(C(=O)N2CCc3ccccc3C2)nc1 95591175 QMNJVHFFNWOATC-UHFFFAOYSA-N 358.401 2.927 0 1 FFAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3ccnc(C4CC4)c3CCN12 149114958 BYWQDLWHKFJLHC-UHFFFAOYSA-N 359.433 2.719 0 1 FFAF C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)C(=O)N(C)C 98208558 RYLYZVYXGULJRD-QMMMGPOBSA-N 362.796 2.701 0 1 FFAF in-vitro CCN(CC)[N+](=O)NOCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 471915182 PGBJDXABICCNFP-OAHLLOKOSA-N 352.455 2.961 0 1 FFAF O=C1OCC2=C1[C@@H](c1cccc3c1OCO3)c1cc3c(cc1N2)OCO3 653821694 QPQGJTILLOSEOH-INIZCTEOSA-N 351.314 2.512 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C)c(=O)c2)N1 587775257 RREHIFIIFGTKFB-ABKXIKBNSA-N 351.219 2.911 0 1 FFAF CCOC(=O)Cc1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587961012 HLGKCDZNHRXNFH-UHFFFAOYSA-N 352.390 2.886 0 1 FFAF CCOCCCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 587434960 CPIVRENDBZNWMV-ZVGUJKQYSA-N 359.466 2.950 0 1 FFAF CCS(=O)(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606004 FOVZEPATWUYCAT-YJBOKZPZSA-N 362.403 2.547 0 1 FFAF CC(C)Oc1cccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 587555047 MINKHZWYTFTVJT-UHFFFAOYSA-N 355.350 2.517 0 1 FFAF O=C1CCc2cc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3cc2N1 586924011 DVNOZBVZZWZGNI-HJWRWDBZSA-N 353.403 2.892 0 1 FFAF CNC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F 13679352 RMBADSTZHGOKBO-UHFFFAOYSA-N 372.169 2.529 0 1 FFAF Cc1cc(C)cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1 169335051 JHOAPADVMAMJKV-UHFFFAOYSA-N 363.461 2.722 0 1 FFAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 767234 GRKZBLUGOWQHPA-MJGOQNOKSA-N 352.434 2.913 0 1 FFAF COc1cc2c(cc1O)C[C@]13CCC(=O)N1CCc1cc(OC)c(O)c-2c13 1618652 SPEGKEJJLFGOID-NRFANRHFSA-N 367.401 2.712 0 1 FFAF C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1 28362697 VMCXNZCTQSEQQQ-LBPRGKRZSA-N 353.405 2.816 0 1 FFAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@H]2[C@H]1O 2356497851 AXROAUMWRUGWDE-WLZJIRAFSA-N 366.546 2.819 0 1 FFAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356692037 GYJUTLDMALIXFI-JZXOWHBKSA-N 370.559 2.839 0 1 FFAF Cc1cnc2c(NCCN)nc3cc(-c4ccc(CO)cc4)sc3n12 28950727 OMEUMFAZGUZQCO-UHFFFAOYSA-N 353.451 2.782 0 1 FFAF O=C(NCc1ccc(F)cc1)c1nc2sc3ccccc3n2c(=O)c1O 64539897 GFDONINNNIWFKO-UHFFFAOYSA-N 369.377 2.684 0 1 FFAF c1n[nH]cc1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3 223691658 KMWVVSFSSCUVAP-UHFFFAOYSA-N 354.483 2.760 0 1 FFAF O=C(NC(=S)NNc1ncnc2ccccc12)c1cccc(Cl)c1 84653090 RSDIVEQIJJEDJN-UHFFFAOYSA-N 357.826 2.915 0 1 FFAF COc1cc(Sc2[nH]c3nc(N)nc(N)c3c2C)cc(OC)c1OC 45358625 QASSHRWUUXMZLT-UHFFFAOYSA-N 361.427 2.608 0 1 FFAF CC(=O)NCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144802737 FSABVZCMXYERTN-KRWDZBQOSA-N 351.324 2.980 0 1 FFAF CC(C)N1CCC(N2CCN(C3CCCCCC3)C[C@@H]2CCO)CC1 95536698 SFYYFZVMJHYYOX-NRFANRHFSA-N 351.579 2.951 0 3 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895149 OIEGYFAFDUVRDN-BSNYZIFZSA-N 370.493 2.701 0 1 FFAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cncnc2)c1=O 25410761 MFPWQPFRDODIOR-WBVHZDCISA-N 372.428 2.565 0 1 FFAF biogenic O=C(NC1CCCC1)c1ccc(CN2C(=O)N[C@@H]3CCCC[C@H]3C2=O)cc1 618016593 HFVWRRPRVNDREN-QZTJIDSGSA-N 369.465 2.970 0 1 FFAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccc(O)cc14)[C@@H]32 84616139 BCQPXUWNKBYVDE-ACRUOGEOSA-N 352.434 2.927 0 1 FFAF biogenic CC[C@@H]1C[C@H](CO)C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@H]12 85912103 MGINSSIKKGMDGW-LXQILGGGSA-N 356.466 2.522 0 1 FFAF biogenic Cc1cc(F)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 587169298 AXUSXBAIDAVDNJ-UHFFFAOYSA-N 351.378 2.970 0 1 FFAF COC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587007656 CETZIGXTAHOJRF-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)n2)N1 587743440 DPCULRXAZXNEHR-VXJOIVPMSA-N 351.223 2.588 0 1 FFAF CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCOCC1 587596982 STNIKXXPOORXCW-FXAWDEMLSA-N 369.417 2.833 0 1 FFAF CCC1=C(c2ccc3c(c2)OCO3)C(=O)O[C@]1(O)c1ccc(OC)cc1 13761528 ZIQBXJIFQHHELM-HXUWFJFHSA-N 354.358 2.990 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccnc(O)c1)c2=O 1857554854 ISHJALXUOBPEJM-UHFFFAOYSA-N 360.801 2.706 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1C1=CN2CCCC3=CC=C[C@@H]1[C@@H]32 1857573877 CXLGDSFMCPYYAM-FCRQHZQGSA-N 371.440 2.998 0 1 FFAF c1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1 1857600564 OZCGAWYOCAENEI-UHFFFAOYSA-N 373.420 2.767 0 1 FFAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 4132202 PEFIOTKTVPRFFT-XPGWFJOJSA-N 368.433 2.985 0 1 FFAF CC[C@H](C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 103262431 XAOXZAQUVZOTHC-LBPRGKRZSA-N 353.426 2.779 0 1 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 100703255 NKNBHRVIZAXHLA-AWEZNQCLSA-N 371.824 2.951 0 1 FFAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1 58568947 RIQDTIPATXJLMH-MRXNPFEDSA-N 351.431 2.637 0 1 FFAF CCOc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116828281 SVJABYULFNNZDM-CALCHBBNSA-N 366.465 2.701 0 1 FFAF Fc1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@H]3F)[nH]c2c1 2356468340 XWXMYXHJEPKFQH-BXUZGUMPSA-N 350.394 2.898 0 1 FFAF CC=C1[C@H]2CCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4C2)[C@@H]13 2356542579 XYYNHAYSLUSRAP-LNWOYWOMSA-N 354.450 2.818 0 1 FFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@H](CO)[C@H](O)C3 2356656810 YNMLSPGNWXNXLY-KJEWAPERSA-N 364.482 2.943 0 1 FFAF C[C@H](CN(C)C)N(C)c1cnc(C(=O)NCC(C)(C)c2ccccc2)cn1 28882488 MNOBEKKSMSWRBO-MRXNPFEDSA-N 369.513 2.571 0 1 FFAF O=S(=O)(c1cc(F)cc(F)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 73199033 FECXTVAJHWAPLK-RDJZCZTQSA-N 351.374 2.636 0 1 FFAF CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@H](C)Cc2cccs2)C1 71638961 YMDOSNBIWOAVEO-GFCCVEGCSA-N 359.499 2.552 0 1 FFAF O=P(O)(O)C(F)(F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 49035437 WVGSDCFPLKZTPT-UHFFFAOYSA-N 363.278 2.714 0 1 FFAF CN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1 40412861 XTCCFIPHLQWJJQ-UHFFFAOYSA-N 352.373 2.785 0 1 FFAF COc1ccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)cc1OC 42201369 BUSSOWPXBXFBJR-UHFFFAOYSA-N 362.385 2.763 0 1 FFAF C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccsc3)c(=O)n21 82210982 OQIZLZQYSNZJKV-ZDUSSCGKSA-N 368.462 2.718 0 1 FFAF COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]1[C@@H]5[C@H](OCc1ccccc1)[C@H]42)OCCO3 253986385 FIBTWTLJSKPPQB-JYQXMMRDSA-N 370.445 2.780 0 1 FFAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@H]1CCC2=O 261494710 QIJNCQNMZUTUIF-AZGFTEDZSA-N 366.435 2.999 0 1 FFAF endogenous,world CN(CCCC(=O)O)C(=O)[C@@]1(C)CCN1C(=O)c1csc2ccccc12 299821261 CBQBMHIAYXMOHE-LJQANCHMSA-N 374.462 2.829 0 1 FFAF O=C1COc2cc(Br)ccc2N1CCc1nc2cccnc2[nH]1 587003371 UJSWMUYHOJFQSG-UHFFFAOYSA-N 373.210 2.689 0 1 FFAF Cn1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656995 OYCSSQIDLNOARL-UHFFFAOYSA-N 366.327 2.764 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595941 MBTRZOWNKMXIJR-JXFKEZNVSA-N 370.357 2.635 0 1 FFAF CN1CCc2cnn(C)c2[C@]12CCNc1c(F)ccc(Br)c12 963954047 GCIFEGCRUSBDAM-MRXNPFEDSA-N 365.250 2.869 0 1 FFAF CCOC(=O)c1ccc2ccc(Oc3ccnc(C(=O)NC)c3)cc2n1 1772644394 OXCQAYJEZSWYFN-UHFFFAOYSA-N 351.362 2.958 0 1 FFAF CCCOc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC 5838982 DRXDVBBFZVLKSJ-UHFFFAOYSA-N 368.441 2.907 0 1 FFAF Cn1cc2c(nc(NC(=O)Nc3ccoc3)n3nc(-c4ccco4)nc23)n1 13683610 UDHWGJQMGQXHLV-UHFFFAOYSA-N 364.325 2.508 0 1 FFAF CCN(CC)CCNC(=O)c1csc([C@H](O)c2cccc(Cl)c2)n1 206058669 OQIGOBDUIBFFHD-OAHLLOKOSA-N 367.902 2.950 0 3 FFAF O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cc(Cl)cc(Cl)c1 1938055 MMOSWUMIFFIKKL-UHFFFAOYSA-N 361.612 2.649 0 1 FFAF COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@H]3C[C@@]21CCN3C 6018034 GRTJJLDQBHAIRY-HNHYXYPQSA-N 352.228 2.524 0 1 FFAF COc1ccc2c(c1)CN(C1CCC(CO)CC1)CC[C@@H]1COC(=O)N21 2356293819 KPRDTUPVHITEHD-BDVYOWHSSA-N 360.454 2.777 0 1 FFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@H]1c1cc[nH]c1C[C@@]34C 2356296737 NSOXQZVUDLTNIG-QCLRXXOWSA-N 357.450 2.869 0 1 FFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2 100741774 IBOZZWGMZPMXBO-RFQIPJPRSA-N 371.218 2.688 0 1 FFAF O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](O)C1)c1cnn2cccnc12 113654302 WTUNZCQRKFMUHJ-OLZOCXBDSA-N 372.812 2.927 0 1 FFAF CC(C)C1=C[C@H](O)[C@](C)(O)CC[C@@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356470005 KTSWSNYADQZTSZ-PIKOESSRSA-N 352.471 2.638 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@@]2(C)CO)ccc1O 2356507768 GXYBSMORDFHHIO-LEWJYISDSA-N 372.417 2.799 0 1 FFAF CC1=CCC[C@@H]2[C@](C(=O)O)(C1)C[C@@H](C)[C@]2(CO)CCC(=CCO)CO 2356538012 OGPOPMOZVDUDLJ-VUBSUSDNSA-N 352.471 2.514 0 1 FFAF NC(=O)c1ccsc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 71318035 HVXMILNLTYLOGD-UHFFFAOYSA-N 366.826 2.843 0 1 FFAF COc1c(O)c2c(c3c1[C@H](O)COC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@]21C 14816260 VLSCNAWMSGINHJ-ZSMADZGOSA-N 374.433 2.814 0 1 FFAF biogenic CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC23CCCC3)cc1 72106319 PGGCYQHHWKCZCG-UHFFFAOYSA-N 373.501 2.900 0 1 FFAF CCn1cc(C)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 145242585 FMRRDKHCBMCCHR-FQEVSTJZSA-N 353.422 2.817 0 1 FFAF CC1(C)[C@H]2CC[C@](C)(O)[C@@H](CCC3=CC(=O)O[C@@H]3O)[C@]2(C)CC[C@H]1O 238769101 YGMAOOZMYPQPHU-NRCWBNPGSA-N 352.471 2.533 0 1 FFAF C[C@@H]1COc2c(CN3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473244559 NKYVVLOBLJSRLH-LLVKDONJSA-N 360.385 2.778 0 1 FFAF CS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@@H]2c2cccs2)cc1 653801642 UBXHKZQUMOXKAS-CYBMUJFWSA-N 350.421 2.544 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239981 PNJMRIGNAYXOKK-AGMRTUQYSA-N 373.457 2.908 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)[nH]c12 587786540 RFHJKHGCHCJNKW-UONOGXRCSA-N 351.362 2.688 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Cl)nc1N1CCOCC1)O2 587379143 GFZKFDYSUDHZJV-HNNXBMFYSA-N 374.828 2.564 0 1 FFAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2C1 587032826 CTNICVFEYCIBAV-UHFFFAOYSA-N 372.454 2.739 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(N)=O)cc1)CC2=O 587470906 PCOXYDGIXIVYTE-SFHVURJKSA-N 355.390 2.915 0 1 FFAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587241420 BIEFOMPCJCXWCU-UHFFFAOYSA-N 372.450 2.862 0 1 FFAF CC(C)c1nn(C)c2c1[C@]1(CCCCC[C@H]1CN1CCC[C@H]1CO)NCC2 962923247 YPSXZQLGPAGFJM-NPPFBWRTSA-N 374.573 2.922 0 1 FFAF Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 11666274 NPYSZFUOCGMERV-OAHLLOKOSA-N 357.410 2.666 0 1 FFAF Cc1nnc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)s1 13123779 YHWPRGCINJTQEI-WCBMZHEXSA-N 372.376 2.993 0 1 FFAF CCCCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447208 JNWPWBXAZQWUCW-OAHLLOKOSA-N 368.861 3.000 0 1 FFAF CN(C)C(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1 13737675 HPAUFYJLLIEXIV-UHFFFAOYSA-N 350.378 2.672 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C 15267016 KKDRQZCQNSHBHY-AVFOEOQDSA-N 374.389 2.582 0 1 FFAF biogenic,in-vitro Nc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCOCC5)n4)c3c2)o1 204755885 TZQSDHCSGGGNSR-UHFFFAOYSA-N 362.393 2.699 0 1 FFAF Cc1nnc2ccc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)cc2c1C 1857587649 GIOXMUHGHJQEDR-UHFFFAOYSA-N 374.448 2.533 0 1 FFAF C[C@@H](C[C@@]12CC3CC(N)(C1)C[C@@](C[C@H](C)O[N+](=O)[O-])(C3)C2)O[N+](=O)[O-] 1857768281 ODJGIELYZUQQTQ-IMESSFCYSA-N 357.407 2.628 0 1 FFAF Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)ccc2n1 146592702 SPTBDFVKNYMQTI-UHFFFAOYSA-N 360.417 2.826 0 1 FFAF Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C 1353839 PNOURWZCNCSJJA-UHFFFAOYSA-N 360.468 2.526 0 3 FFAF CCC(CC)C(=O)NC[C@@H]1O[C@@H](Cc2cc(C(C)(C)C)on2)CC[C@H]1O 2356435315 BOMFPNNBNHXCPZ-ZACQAIPSSA-N 366.502 2.976 0 1 FFAF CC(C)c1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1 104194992 GIFXGSITUBUVGH-UHFFFAOYSA-N 368.418 2.527 0 3 FFAF Cn1c(CO[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2F)nc2ccccc21 2356298766 AGCPBIPZUKESFH-CRAIPNDOSA-N 353.397 2.953 0 1 FFAF C[C@]1(O)O[C@]23CC[C@H]1[C@]2(C(=O)O)CC[C@H]1[C@H]3CC=C2C[C@@H](O)CC[C@@]21C 2356600983 GFOKWOWCJVGEQX-CCIMGODBSA-N 362.466 2.852 0 1 FFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]2[C@H]1C 2356641421 OSNBPYDQOYZESG-PQDFCPQFSA-N 366.546 2.865 0 1 FFAF CC(C)(C)C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@@H]1CCCC(=O)O 72183045 MWSVXRBQXVYSRI-DFGXFYAUSA-N 350.503 2.989 0 1 FFAF CC1(C)c2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O[C@H]1CO 210530878 HHSWLOSLMYIVFG-SFHVURJKSA-N 354.358 2.902 0 1 FFAF CCOC(=O)C1=CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl 40392805 BQIJDYGILSBNPU-ZDUSSCGKSA-N 361.822 2.799 0 1 FFAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccncc2)n1 84704642 WSSWFGHHNASFDR-UHFFFAOYSA-N 365.462 2.867 0 1 FFAF CNc1nc2sc(-c3cccc(CNC(C)=O)c3)nc2c2c1ncn2C 40380076 JBRXERAIDOFGSA-UHFFFAOYSA-N 366.450 2.923 0 1 FFAF CC(C)=CCC/C(C)=C/CNCC(=O)N[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51 254124488 IUZFKESOXYUGNF-JOHNPATESA-N 368.521 2.868 0 1 FFAF Nc1nc(O)c2nc(SCc3ccccc3Br)[nH]c2n1 653866654 VJAPWTRZDSQVKX-UHFFFAOYSA-N 352.217 2.696 0 1 FFAF Nc1ncc(-c2cc(N3CC(F)C3)nc(C3CC3)n2)cc1OC(F)F 653769226 NXBSFCMVSXEVPP-UHFFFAOYSA-N 351.332 2.758 0 1 FFAF CCCS(=O)(=O)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 586953155 PKYCFZNMEAOVKM-UHFFFAOYSA-N 361.389 2.899 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O 587439280 USIQHQRILPDZFP-AOMKIAJQSA-N 374.396 2.813 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@H]1NC(=O)c3ccccc3N1)CC2=O 587484933 OSBNZXQTQSVJGO-PKOBYXMFSA-N 352.390 2.860 0 1 FFAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)O)c1 587439616 LQUFDOOGRBCGKV-JLTOFOAXSA-N 370.357 2.656 0 1 FFAF COC(=O)C[C@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441542 HJWQEYJFSHXGQV-QVKFZJNVSA-N 368.385 2.910 0 1 FFAF Cn1ccnc1[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962926532 WYTCVFRUQWFECP-OXJNMPFZSA-N 369.371 2.589 0 1 FFAF O[C@@H](COc1ccc([C@H]2CCCNC2)cc1)CN1CCc2ccccc2C1 1772577465 HUPUCRUHTCXPRQ-RBBKRZOGSA-N 366.505 2.952 0 1 FFAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1CCCCC1)C3 19364684 LMYOGTQDMQFGEK-UHFFFAOYSA-N 372.465 2.654 0 1 FFAF CNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)n1)C(C)(C)C 150288267 CELSVJRFZCVCSS-QGZVFWFLSA-N 355.438 2.648 0 1 FFAF O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1c1nc(CO)co1 169367759 CVGQJRKPOPBTLN-IMBTUZDBSA-N 357.406 2.688 0 1 FFAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](OC(C)C)CC3)c(=O)c2c1 1857594626 CQLBDBLKPJCRQW-SHTZXODSSA-N 359.426 2.969 0 1 FFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1 772922 QRURMBYSACLCCZ-MJGOQNOKSA-N 354.406 2.884 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)[C@@H]1C 6807627 FFXAWHZUOJBTLU-RRFJBIMHSA-N 370.453 2.963 0 1 FFAF CC1(C)C(=O)c2ccc(Br)cc2[C@H](N2CCCC2=O)[C@@H]1O 26262130 LMSWPYMHSNJJFK-ZFWWWQNUSA-N 352.228 2.696 0 1 FFAF CC(C)CN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82214694 KKANUVCIRYGLHO-UHFFFAOYSA-N 354.454 2.708 0 1 FFAF CS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 84634454 ZAODASWQXIXXRK-UHFFFAOYSA-N 355.423 2.891 0 1 FFAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2NCC2CC2)c2cc[nH]c2c1=O 146390428 GOKKCJVNYOPUCZ-UHFFFAOYSA-N 371.462 2.759 0 1 FFAF CCn1c(C(=O)OCCc2ccc(O)cc2)cc(=O)c2ccc(C)nc21 95605614 LFDMKSRSRGGBMZ-UHFFFAOYSA-N 352.390 2.830 0 1 FFAF COc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 263591057 RRKAZXABADNMKD-SPUZQDLCSA-N 358.438 2.711 0 3 FFAF COc1cc(OC)c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)oc2c1 621429313 DZRJEOSIHAJMOX-CQSZACIVSA-N 355.390 2.783 0 1 FFAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@]2(C)[C@H](NCCN)CC[C@H]32)C1 299872385 FFSMUXROXURAGP-LUORNPTASA-N 364.574 2.932 0 1 FFAF aggregator c1cc2cc(c1)CNc1cc[n+](cc1)CCOCC[n+]1ccc(cc1)NC2 299830895 YQGQNVGMQPNWGC-UHFFFAOYSA-P 362.477 2.516 0 1 FFAF C[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584825 BFXLELCDQOVPAD-NQIIRXRSSA-N 369.417 2.835 0 1 FFAF O=C(O)CNc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587510468 HDRNKIJQNDCZNC-INIZCTEOSA-N 353.378 2.558 0 1 FFAF C[C@]1([C@@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554488 IERVEXKBEAZWPN-ZOCIIQOWSA-N 358.321 2.768 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587195305 UDEACLCPTRNYOF-UHFFFAOYSA-N 373.482 2.721 0 1 FFAF CC1=C(c2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)NNC(=O)C1 586907080 DACUUMCZKQRVIS-UHFFFAOYSA-N 374.400 2.957 0 1 FFAF CCOC(OCC)[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962647028 UEUHYFLLKRKLPX-NHCUHLMSSA-N 372.465 2.948 0 1 FFAF FCCOCCOc1cccc(-c2cccc(OCCOCCF)n2)n1 137101173 OGZIJMCGDBGWNS-UHFFFAOYSA-N 368.380 2.873 0 1 FFAF COc1ccc(-c2cc3c(NC(=O)N4CCOCC4)ncnc3o2)cc1 14946136 RZKOMLMHARZINQ-UHFFFAOYSA-N 354.366 2.763 0 1 FFAF Brc1ccccc1Cn1cc(Cn2ccc3cncnc32)nn1 1857555391 PHUJBWZNVGJCHS-UHFFFAOYSA-N 369.226 2.882 0 1 FFAF CCc1nn2c(O)cc(C[C@H]3CCC(=O)N3)nc2c1-c1ccc(F)cc1 103525985 JYVJLMQXSJYIAL-CYBMUJFWSA-N 354.385 2.625 0 1 FFAF COc1ccc(-c2coc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1O 26826428 KWYRQMYACXXRMI-UHFFFAOYSA-N 373.361 2.838 0 1 FFAF CN(C)C[C@H](O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28382544 JMXUDDPDPZDQBK-LBPRGKRZSA-N 367.877 2.936 0 1 FFAF O=C(NCc1cccc(C(F)(F)F)c1)c1csc(COCCO)n1 61930310 ZSSPLQYDASOZNS-UHFFFAOYSA-N 360.357 2.601 0 3 FFAF Nc1ncnc2c1c(Oc1cccc(C(F)(F)F)c1)nn2[C@H]1C[C@H](O)C1 1911570414 DUBIONQSCUTLDM-MGCOHNPYSA-N 365.315 2.915 0 1 FFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 218861927 LQGKKZYSNBYZNR-SECBINFHSA-N 374.857 2.975 0 1 FFAF O=C(O)c1cc2cc(-c3cncc(NCC4CCNCC4)n3)ccc2o1 71295925 HNIFOTFIRDDPLT-UHFFFAOYSA-N 352.394 3.000 0 1 FFAF CC1(C)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C[C@@H]1O 136001550 WXQNEGHFLYKCJC-INIZCTEOSA-N 354.358 2.946 0 1 FFAF C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 85589009 DTMWSKSAMRZGQH-XBPIAWKYSA-N 366.435 2.999 0 1 FFAF endogenous,world CN1CCC=C([C@@H]2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 40875871 ZSLAVOGAFBWDPB-INIZCTEOSA-N 351.903 3.000 0 1 FFAF C/C=C1/CN2CC[C@]34C(=Nc5cc(OC)ccc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC 238783709 ILYYHCVJSYAYRI-IDMWNLOESA-N 352.434 2.862 0 1 FFAF C[C@@H]1C(=O)c2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 85843936 YQLKOOGRXMGOOT-JHTDMNASSA-N 354.358 2.848 0 1 FFAF biogenic Nc1ccnc2[nH]c(-c3cc(I)ccc3F)nc12 587182271 GQEYLMBACWKDJP-UHFFFAOYSA-N 354.126 2.951 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc3ccccc3c2[nH]1 586960501 YKUGXEBWTPLVQV-GOSISDBHSA-N 368.418 2.580 0 1 FFAF C[C@@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589267 WVXOFBSSGDYPAL-APWZRJJASA-N 353.330 2.750 0 1 FFAF CCOC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573275 SMZGWPLUNSTQHI-UCLAIMLFSA-N 371.345 2.811 0 1 FFAF N=c1[nH]c2nc(-c3ccnc(Cl)c3Br)nc-2c(Cl)[nH]1 586979256 KVCAPSBJNGZJIX-UHFFFAOYSA-N 360.002 2.848 0 1 FFAF COC(=O)c1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 587233981 YNGVQHREUMXCGZ-QWRGUYRKSA-N 360.414 2.905 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2nccc(Br)c2[nH]1 586967278 SUKVKXKOFSDIPL-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF CCCCCc1cc(C(=O)N[C@H]2COc3ccccc3N(C)C2=O)no1 1772617814 MGFSXSQOCMPBJP-HNNXBMFYSA-N 357.410 2.561 0 1 FFAF CC(C)c1cc(C(=O)N2CC[C@H](n3cc(Br)cn3)C2)n[nH]1 1772640549 JFPBFPWCRUXYRC-NSHDSACASA-N 352.236 2.579 0 1 FFAF COc1ccccc1CN1[C@@H](CC(=O)O)c2cc(F)ccc2S1(=O)=O 12479324 VYKJSMWSWPVTMD-AWEZNQCLSA-N 365.382 2.555 0 3 FFAF CCCCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454224 NOHMWZYUEOBMOP-MQVJKMGUSA-N 359.470 2.930 0 1 FFAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccncc2)C1=O 1857550256 ZJJJQCGQCRZOBG-GOSISDBHSA-N 365.477 2.911 0 1 FFAF Cc1nnc2ccc(C(=O)NC3CN(c4cccc(Cl)n4)C3)cc2c1C 1857559816 OEACTNLZZFXMRN-UHFFFAOYSA-N 367.840 2.914 0 1 FFAF Cc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)c1 2957634 HJVQOAJMOCEQPI-UHFFFAOYSA-N 355.829 2.784 0 1 FFAF CC(C)O[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216437 JILOHDONTQMNBP-FZMZJTMJSA-N 354.838 2.993 0 1 FFAF COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1OC(F)F 103064941 IYTRTYNYAQQBCM-ZDUSSCGKSA-N 354.309 2.930 0 1 FFAF CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@H]1CCO 61943294 GAOOXLBLYIYKGW-DWXRJYCRSA-N 374.506 2.598 0 3 FFAF COc1cc2c(cc1O)[C@H](O)[C@H](c1ccc(OC(C)=O)cc1OC)CO2 2356556496 CZKYGETXMUWXNW-LIRRHRJNSA-N 360.362 2.544 0 1 FFAF NC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CN4CCOCC4)ccc2-3)cc1 28714078 POQDPXKTMXKNPI-UHFFFAOYSA-N 374.444 2.579 0 1 FFAF COC(=O)CSCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O 26024844 KHODXOPCYKZTAP-OEMOTLHWSA-N 357.472 2.584 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]2C(=O)c4c(ccc5c4OCO5)[C@H]21)OCO3 2356760139 ZNMBKYFBDJDSHG-FUHWJXTLSA-N 351.358 2.653 0 1 FFAF CCOc1ccccc1-n1c(CN2CCOCC2)nc2ccccc2c1=O 36381357 LBYMXYKJEFYOHF-UHFFFAOYSA-N 365.433 2.617 0 1 FFAF COc1ccc2c(c1)[C@@H](O)[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 14917520 FTFWEINCEBLJFT-IAGOWNOFSA-N 355.390 2.676 0 1 FFAF biogenic CC1(C)NC(N)=NC(=N)N1OCCSc1ccc(Cl)c(Cl)c1 45201354 VEDDSDVDAVSSFC-UHFFFAOYSA-N 362.286 2.908 0 1 FFAF CC(C)c1cc2c3c(c1O)OC(=O)C[C@]3(C)[C@@H]1[C@H](OC(=O)C1(C)C)C2=O 14683914 BRVFBXOJAHGUQS-HLIPFELVSA-N 358.390 2.847 0 1 FFAF biogenic Cc1ccc(-c2nc(O)c(O)c(C(=O)N[C@H](C)C3CCCCC3)n2)nc1 1911572556 JEJFRKOMWFVPQH-GFCCVEGCSA-N 356.426 2.957 0 1 FFAF CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 40409488 HVBPDPAZGSLRKM-DXDIPGGRSA-N 364.482 2.963 0 1 FFAF CC[C@@H](O)/C=C\C=C/C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 231931457 AOPOCGPBAIARAV-YMUAEEGWSA-N 350.455 2.905 0 1 FFAF COC(=O)/C=C/c1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 95909454 ZYGRRQHXBIRCRU-VOTSOKGWSA-N 354.314 2.763 0 1 FFAF biogenic,in-vitro CCCN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 98083990 DWXKGZDXBKCCFJ-MSOLQXFVSA-N 359.447 2.831 0 1 FFAF COc1cccc(C(=O)NC2=NC3=NC(C)=C[C@@H](c4ccccc4)N3N2)c1 473128101 YJMXNNYCZLCJQM-KRWDZBQOSA-N 361.405 2.616 0 1 FFAF CCCc1nc(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)nn1-c1ccccc1F 587155249 CCOIFMRVLNFEPA-UHFFFAOYSA-N 372.795 2.758 0 1 FFAF CCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)OC)C1 587514485 ACWUMIZYHWPJTJ-UTKZUKDTSA-N 357.450 2.784 0 1 FFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(N)c(N)cc3[nH]2)c[nH]1 587061749 YAXNQEANILHWOS-UHFFFAOYSA-N 351.801 2.917 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN(C)N[C@H]1C(F)(F)F)CC2=O 587464080 ICMYHISOERCNEJ-HZUKXOBISA-N 358.360 2.676 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 586930048 MXWIJTLZXTZFHU-UHFFFAOYSA-N 353.806 2.788 0 1 FFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC(O)CC1 1772627641 ZEKHRXRWWKFSQH-UHFFFAOYSA-N 361.405 2.703 0 1 FFAF C[C@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@H]1O3 15203764 JDKOSPKTKADBCU-KPOBHBOGSA-N 354.358 2.948 0 1 FFAF biogenic CC[C@H](C)[C@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15955982 VMYWFCHFKKXGGP-RPLLZPRCSA-N 369.421 2.703 0 1 FFAF biogenic C[C@@H](C(=O)Nc1ccccn1)N(c1ccccc1Cl)S(C)(=O)=O 169302975 UWFSUFIEPLBKJE-NSHDSACASA-N 353.831 2.528 0 1 FFAF Cc1cc(=O)n2c(C)cc3c(OCCCCNCCN(C)C)ccc1c32 169310491 GYKWVUINUXZCNX-UHFFFAOYSA-N 355.482 2.818 0 1 FFAF CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CC1 206365126 OAZKIMIHMNJQAJ-CLWJZODNSA-N 372.513 2.623 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 209396850 KWZSKCFHZPGIBZ-OAHLLOKOSA-N 355.398 2.866 0 1 FFAF NCC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857547569 HATDKQBVIWWWEE-NRFANRHFSA-N 353.510 2.661 0 1 FFAF Oc1ccc(CCCNC[C@H](O)c2ccc(O)c3nc(O)ccc23)cc1 1857602097 UGZAIPRXVAACBG-SFHVURJKSA-N 354.406 2.607 0 1 FFAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)[C@@H](C)C(=O)N3C)cc1 1857751061 ONKYMNBHDSAHII-ZDUSSCGKSA-N 359.451 2.597 0 1 FFAF CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ccn2)CC1 1857763652 VUIHBPMREPRCQE-IBGZPJMESA-N 351.498 2.738 0 1 FFAF COc1ccc2oc(=O)c(-c3ccccc3C(=O)N3CCOCC3)cc2c1 975690 NNLLAFBCUHUSSA-UHFFFAOYSA-N 365.385 2.941 0 3 FFAF COc1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1 3231140 KYSQDQLVSCMTOP-UHFFFAOYSA-N 373.796 2.583 0 3 FFAF CC(=O)Nc1cc(Nc2c(N[C@H](C)c3ccccc3)c(=O)c2=O)ccn1 100081301 YEUZJEJCUQVIFH-LLVKDONJSA-N 350.378 2.553 0 1 FFAF COC(=O)c1ccc2c(c1)C[C@@H](OC(C)=O)[C@](C)(CC=CC(C)(C)O)O2 2356330557 SWSDHHIUKXEGAW-XLIONFOSSA-N 362.422 2.816 0 1 FFAF c1ccc2c(c1)O[C@@H](N1CCOCC1)c1cnc(N3CCCCC3)nc1-2 29209842 WNXWNLXFQRAGBJ-LJQANCHMSA-N 352.438 2.857 0 1 FFAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCC[C@H]2CO)c1F 29552072 UEFJGRKEWUEXHA-LBPRGKRZSA-N 362.380 2.706 0 1 FFAF COc1cc(C2=NN[C@@H](c3ccc(Cl)cc3)[C@H]2O)cc(OC)c1OC 28456894 HHWSIWOGHFEINN-DOTOQJQBSA-N 362.813 2.775 0 1 FFAF Cn1nc(C2CC2)cc1NC(=O)[C@]1(C)CCN1C(=O)CCc1ccccc1 61903393 AKVNMNBVILUOOW-NRFANRHFSA-N 366.465 2.860 0 3 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)C(=O)N3CCC[C@@H]3C[C@H]12 2356793599 KPUOUTYIIZSZJR-JFYPTCJSSA-N 365.433 2.887 0 1 FFAF C[C@H](O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 22929259 HEEAFEFXEKSWBC-IINYFYTJSA-N 370.337 2.921 0 3 FFAF CCN(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 33819141 YZYRCZXUVVHXJU-GOSISDBHSA-N 350.422 2.854 0 1 FFAF OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)N1CCOCC1 34634949 WPLZJOHYEBBPRT-OAQYLSRUSA-N 361.445 2.786 0 1 FFAF in-vivo CC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1 15673633 RKNGBYPTFZESGR-ROUUACIJSA-N 369.465 2.694 0 1 FFAF biogenic COc1ccc(O)cc1-c1oc2cc(OC)c(O)c(OC)c2c(=O)c1OC 14436550 KJOLOVQCXHKMJG-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic Cc1[nH]ncc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1 145227509 UARZOXDUCZYRLS-UHFFFAOYSA-N 351.435 2.973 0 1 FFAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C1CCC1 95895143 KVMPRQHIIHUVHJ-NJDAHSKKSA-N 350.462 2.686 0 1 FFAF NC1=N[C@@]2(c3cc(NC(=O)c4ccccn4)ccc3F)OCC[C@H]2CS1 145712528 JTMLYHWFKNEJFA-BBATYDOGSA-N 372.425 2.724 0 1 FFAF COc1ccc([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 98085791 YIOSTDZDYFFVHN-IUDPQDPDSA-N 364.438 2.621 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nncs4)ncc23)ccn1 261123751 JYACGJQHTCDZND-UHFFFAOYSA-N 366.410 2.502 0 1 FFAF Cc1cc(C(=O)Nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)no1 587556204 VTZMGKCQRNTBDX-UHFFFAOYSA-N 363.333 2.652 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C 586932828 JLBCEKYPVCRPPD-CABCVRRESA-N 367.475 2.703 0 1 FFAF Cc1cnc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc2c1 587260153 SVUHYRSISYOLEP-HNNXBMFYSA-N 353.426 2.973 0 1 FFAF C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596272 QHCPVXCUTFAVFJ-KXBFYZLASA-N 366.329 2.691 0 1 FFAF O=C1C[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587530964 XGNPBXSKKGFXJT-AGKSTNPPSA-N 358.390 2.855 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]31)CC2=O 587488436 ZOFFKOMZMXRLIN-GSRMHOFYSA-N 359.422 2.521 0 1 FFAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(-n3cnnn3)cc2[nH]1 587787766 RBMCZHRQCMHJNJ-UHFFFAOYSA-N 362.393 2.671 0 1 FFAF COc1ccc(CC[C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1O 962900453 ILKSHQREDNZLMA-OXJNMPFZSA-N 359.397 2.987 0 1 FFAF COc1cc2c(cc1OC)[C@@](CNC=O)(c1ccccc1)N(C)[C@@H](C)C2 962637263 WCVIAPWRHXHWBQ-YCRPNKLZSA-N 354.450 2.570 0 1 FFAF O=C(O)c1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1857562392 WKKOVXPDHYKSKI-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF COC(=O)[C@@]12CC3(CC[C@@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 102643306 FIBTWTLJSKPPQB-WIYFWADCSA-N 370.445 2.780 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4cncn4c3)c(F)c2)C(=O)O1 103255119 NNHYYXNJHNQTQJ-INIZCTEOSA-N 368.368 2.602 0 1 FFAF CC[S@@](=O)C1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)[C@@H]3C=C1 2356557394 MTBGIYVKFUMHIU-OHGZEBCBSA-N 359.491 2.737 0 1 FFAF COc1cc([C@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc2c1OCO2 27518418 XQNDTRBKUNNQHX-LJQANCHMSA-N 369.377 2.554 0 1 FFAF CC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356717398 QOMBZTMIYJDJFP-UHFFFAOYSA-N 350.374 2.626 0 1 FFAF COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C)CC2 13434564 MLHOGHQSSRAXKU-HNNXBMFYSA-N 371.433 2.994 0 1 FFAF biogenic COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CC3)n2)CC1 222716348 LXWYQYPWFLGFEO-UHFFFAOYSA-N 365.441 2.915 0 1 FFAF COc1cc(/C=C/C(=O)NCCN2CCCC[C@H]2C)cc(OC)c1OC 46859051 UQADBAMUKAXGKA-XVJNWHFHSA-N 362.470 2.716 0 1 FFAF COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)c(OC)c1 40917697 GIYPESUQEYAMFW-HNNXBMFYSA-N 355.398 2.765 0 1 FFAF O=C(O)C(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)O 49070768 PCAPBPMYBKTJCE-UHFFFAOYSA-N 360.753 2.655 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)C[C@H]2C(=O)N3)cc1 20467417 BBDQMFJYEKMDSS-KSSFIOAISA-N 367.474 2.960 0 1 FFAF biogenic CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586906099 JDCXEJUTZRTWCL-QMMMGPOBSA-N 353.172 2.833 0 1 FFAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O 587388394 BROZEOPVFMHFJA-KRWDZBQOSA-N 370.405 2.547 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccnc2)N1 587776960 ZIJXSTZYYKQZDE-FVMDXXJSSA-N 365.202 2.846 0 1 FFAF Cc1ccnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 587114657 WFDDLRIDSKWQKX-UHFFFAOYSA-N 359.315 2.987 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCOCC1 587872010 GTUVQCJUWHNQEJ-AWEZNQCLSA-N 361.417 2.696 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587450344 TXZPDRWROWZYRW-HNAYVOBHSA-N 373.430 2.730 0 1 FFAF COc1cc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)ccn1 587394658 YCDCJLPNFQUAGE-IBGZPJMESA-N 356.378 2.706 0 1 FFAF O=C(O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O 587939184 IYNHOQVMTKCHEI-UHFFFAOYSA-N 363.167 2.826 0 1 FFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1 586913095 MMTBDPUNNISLMG-GFCCVEGCSA-N 373.434 2.876 0 1 FFAF Cc1ccc(C)c(-c2cn3c(C(=O)N[C@@H]4CCOC4=O)csc3n2)c1 12438546 TXZOAZPTSCWQNU-CYBMUJFWSA-N 355.419 2.725 0 1 FFAF COC(=O)CC(=O)N1CC[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741089 USMVLJXQPRGGDK-HNNXBMFYSA-N 361.438 2.896 0 1 FFAF CN1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)CC1 13824826 QOPKYSWCZKVPHA-UHFFFAOYSA-N 369.856 2.526 0 1 FFAF CCOCC(=O)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 166637985 DFJAEOQOHNJGER-UHFFFAOYSA-N 369.421 2.702 0 1 FFAF CC(=O)NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 168828665 ITJZLFAMQURHES-UHFFFAOYSA-N 362.393 2.530 0 1 FFAF c1cncc(-c2cc(N3CCc4ccccc4C3)nc(N3CCOCC3)n2)c1 1857616670 FOEMKQOZDDDEPV-UHFFFAOYSA-N 373.460 2.938 0 1 FFAF C=C1C(=O)O[C@@H]2C=C(C)C[C@@H]3C=C(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)C(=O)O3 253929964 VUJQBTYMLACYEA-YFTGLANFSA-N 360.406 2.634 0 1 FFAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2cccn2C)cc1 2356316947 FGWGWXITKRFLOH-NSHDSACASA-N 369.377 2.878 0 1 FFAF CNc1cccc2c1C(=O)[C@@H]1[C@@H]3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@@H]1C2 2356323892 FWPNUKOTCRYVIK-XFBWCDHKSA-N 353.422 2.554 0 1 FFAF CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccs1 3895563 PEKCMECYPPYYMG-DOPJRALCSA-N 370.474 2.954 0 1 FFAF COc1cc2c(cc1OC)N1C(=O)C[C@]34C=CCN5CC[C@@H]2[C@@H](CC3)[C@@]514 101698481 BOPPUHZKIKFBHH-UTQQSMSJSA-N 352.434 2.906 0 1 FFAF CC(=O)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 27517271 RIPRIMPWYZQYKB-IBGZPJMESA-N 356.466 2.712 0 1 FFAF CCNc1nc2cc(OC)c(OC)cc2nc1NCCCN1CCCC1 115765004 ADMHZHMXKQZBID-UHFFFAOYSA-N 359.474 2.977 0 1 FFAF CC(=CCc1c(O)ccc2c1OC[C@@H](c1ccc(O)cc1O)C2=O)CO 2356496371 VPCRIHAWNUNORJ-INIZCTEOSA-N 356.374 2.643 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@]2(O)[C@@H]31 2356663589 NJKMRMVURXZVOC-CVFQFIGTSA-N 358.390 2.534 0 1 FFAF COc1ccc(CN2C[C@@H](C)n3c(nc4cccnc43)C2=O)c(OC)c1 219771898 BMVSMKIQUFABGQ-GFCCVEGCSA-N 352.394 2.666 0 1 FFAF CC(C)Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1 49125104 CTOTVRZVWQNAST-UHFFFAOYSA-N 369.469 2.618 0 1 FFAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)C1 82203720 FOFSYGKNTYIHCH-GOSISDBHSA-N 351.454 2.732 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](CO)C3)cs2)c1 82081235 CKKGOLPHMBTHLX-LBPRGKRZSA-N 362.451 2.672 0 1 FFAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1F 96928915 ICMHRPQYOIISJB-UHFFFAOYSA-N 372.348 2.790 0 1 FFAF NC(=O)C1CCN([C@@H](C(=O)O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 95382599 GFSFTSVNTLCDIR-GFCCVEGCSA-N 364.751 2.682 0 1 FFAF C[C@H](CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)N(C)C 142973101 LVSPUWRCTGAYQT-MRVPVSSYSA-N 360.311 2.574 0 1 FFAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(OC(C)C)c3)c2cn1 261136726 MFGCZVFMFHNIGG-UHFFFAOYSA-N 370.413 2.575 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115395 MVHNSGQTRHGVBA-UHFFFAOYSA-N 370.356 2.894 0 1 FFAF O=CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348314 WBJNSUAMMFTECA-SFHVURJKSA-N 355.365 2.881 0 1 FFAF CCC1=C(C)N[C@H]2N(CCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O 587396131 XBWNDZSPVWDUGZ-PMACEKPBSA-N 355.438 2.517 0 1 FFAF Oc1nc2cc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3cc2[nH]1 587085190 PBMMGBKHYXTDPY-UHFFFAOYSA-N 369.816 2.972 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)nc2O)N1 587775259 QFVGIWSBJQIHLF-NZFNHWASSA-N 368.206 2.587 0 1 FFAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587589898 YNBIFBUUKNBEIA-YJBOKZPZSA-N 350.330 2.894 0 1 FFAF C[C@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589499 XFKTZDICACTGQK-FXAWDEMLSA-N 374.356 2.707 0 1 FFAF CCOc1cc([C@@H]2NCCc3ccc(O)cc32)ccc1OCCN(C)C 963327976 BUIKYBMHSFLDOZ-NRFANRHFSA-N 356.466 2.966 0 1 FFAF Cc1c(-c2ccccc2Cl)sc2c1c(=O)n(CCCO)c(=O)n2C 1772574752 RXDJNZHQWADCRG-UHFFFAOYSA-N 364.854 2.773 0 1 FFAF NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 13860536 NEQJNXGEAMZSHN-UHFFFAOYSA-N 353.466 2.789 0 1 FFAF C=C1C=CC2=C(C)[C@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12 15059748 HUMCSDURJLRDAG-XCDZQEORSA-N 372.417 2.656 0 1 FFAF biogenic O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169305261 LHQSXNQSQNPTRT-CIRFHOKZSA-N 368.433 2.774 0 1 FFAF NC(=O)[C@@H]1CCCN([C@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 101403002 FBQPVRNOIUERMB-BCXHYRKLSA-N 365.468 2.591 0 1 FFAF CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1 7001596 QRJXSTOEBZLDQC-UHFFFAOYSA-N 355.438 2.949 0 3 FFAF O=C(O)c1ccc(CN2CCN3C(=O)N(c4ccccc4)C[C@@H]3C2)cc1 2356287437 IYFOMTVLWNVNSD-SFHVURJKSA-N 351.406 2.511 0 1 FFAF CC(=O)O[C@@H]1CC=C(C)[C@H](OC(C)=O)C[C@@H]2[C@@H](C=C1C)OC(=O)[C@@H]2C 2356544861 GOGQNNWYPKCAMI-STLJJKNPSA-N 350.411 2.714 0 1 FFAF COC(=O)C=C(C)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@@]21C 2356639178 HLWQPWKHHFLJCJ-QONQLXJKSA-N 368.514 2.821 0 1 FFAF COc1ccc2c(c1OC)CN1C[C@H](O)c3cc4c(cc3C1=C2)OCO4 2356835716 KULLLCUCGBWHQS-INIZCTEOSA-N 353.374 2.793 0 1 FFAF O=C(Nc1ccccc1)N[C@@H](COP(=O)(O)O)Cc1ccccc1 62242229 HQHBQUOKELFCCO-OAHLLOKOSA-N 350.311 2.529 0 1 FFAF COc1cccc2c1[C@H](c1ccc3c(c1O)C(=O)C[C@H](C)[C@H]3O)OC2=O 36374954 MOOPAAHERXFVGI-FKWNBAQXSA-N 354.358 2.917 0 1 FFAF COc1cc(C(=O)c2c3cc(OC)c(OC)cc3cc[n+]2C)ccc1O 39029259 ATLNVDUTPJBOAQ-UHFFFAOYSA-O 354.382 2.627 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCN(c3noc4ccccc34)CC2)cc1 299824629 LMQVEKPBOWHQGM-UHFFFAOYSA-N 357.435 2.647 0 1 FFAF N[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1COC1 587255308 CSVXJMVBPJKWBH-SNVBAGLBSA-N 350.138 2.990 0 1 FFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587963513 NSSXZRKCHMLJIK-YPMHNXCESA-N 351.410 2.780 0 1 FFAF COC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 587005843 WAQVDMLQICXPCA-UHFFFAOYSA-N 368.578 2.617 0 1 FFAF COC(=O)[C@@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594929 PXCFYORZTLNOTC-XUBBYMEQSA-N 370.357 2.816 0 1 FFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cnnc(O)c4[nH]3)c2)c1 587236195 ULFHZXCAMWYRJU-UHFFFAOYSA-N 359.389 2.676 0 1 FFAF Nc1ncnc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183171 BJBIGFIGWBLWSN-PLNGDYQASA-N 363.162 2.710 0 1 FFAF CCOC(=O)/C(=C/N(C)C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387596 QJZZYZWRVJNIPM-HFZJLKNISA-N 360.454 2.946 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608168 PPJGLNCXXCCQEV-GJYPPUQNSA-N 374.414 2.690 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116160 QKHPBCBWURHCSD-UHFFFAOYSA-N 364.312 2.976 0 1 FFAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)S(C)(=O)=O 587611008 YWUJRCPIUJFLOS-PBHICJAKSA-N 362.403 2.546 0 1 FFAF O=C(NC[C@H]1CN(C(=O)c2ccccc2Cl)CCO1)c1ccccc1 1772614568 QXNTVXDWJGNVJR-HNNXBMFYSA-N 358.825 2.611 0 1 FFAF CCCNc1ccc2c(c1)[C@@]1(NC(=N)N(C)C1=O)C1(CCC(OC)CC1)C2 1772641411 FZIWVXZUQXVQFW-LFNLJPBCSA-N 370.497 2.832 0 1 FFAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccn2)C1=O 1857614779 XFDIYQRODQBNBJ-GOSISDBHSA-N 365.477 2.911 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2Cc1c3n(C)c2ccccc12 28537319 IWEYXWIPVZEVPT-TZMYNMINSA-N 366.461 2.578 0 3 FFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 2356499337 BTOLLRDJMUUBFJ-NCYKPQTJSA-N 369.509 2.599 0 1 FFAF CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26500500 NPAIQLABMWXCJM-OAHLLOKOSA-N 364.467 2.608 0 1 FFAF O=C1[C@@H]2CCCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1 73197698 URQVZPKHIUYIDP-ROUUACIJSA-N 371.481 2.567 0 1 FFAF CC(C)Oc1cc(N2C[C@@H]3C[C@H]2CO3)nc2c(-c3cc[nH]n3)nccc12 1911580292 BJEKPEGHUWOKQC-STQMWFEESA-N 351.410 2.785 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c(OC)c1 74377684 ZQBAFDGYJOUZJZ-FUHWJXTLSA-N 352.390 2.579 0 3 FFAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccc(C)cc3)ncnc21 82179396 OFOZUXWDZLJFQD-UHFFFAOYSA-N 364.453 2.760 0 1 FFAF N=C(N)N1CCC[C@@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 40949325 MTWDBXUMGXBRNN-OAHLLOKOSA-N 370.428 2.949 0 1 FFAF CC(=O)c1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)s1 84690461 WFGBOBKVJKCKNW-UHFFFAOYSA-N 357.387 2.623 0 1 FFAF C[C@@H](O)Cc1nsc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 82052364 LXFUJGPZKCNMCO-LLVKDONJSA-N 372.416 2.807 0 1 FFAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCC3CC3)ncnc21 82222752 DWJRTUMAXUCRMV-UHFFFAOYSA-N 354.458 2.538 0 1 FFAF CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccc(O)cc45)[C@]2(C(=O)OC)C[C@@H]1C3 238765208 HTMUFGIESLRLGP-IDWBVSAESA-N 354.450 2.961 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)c(O)c2C[C@@H]1O 33848447 WVDHMECABMUKJU-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic COc1cc2c(cc1OC(C)=O)[C@@H]1[C@@H](OC(C)=O)CC=C3CCN(C2)[C@H]31 85776663 AEKKCQQRNJILFL-PWIZWCRZSA-N 357.406 2.554 0 1 FFAF biogenic O=c1c2cccnc2ncn1Cc1nnc(CCc2ccc(Cl)cc2)o1 653735914 AXVWPJGJCGMVLQ-UHFFFAOYSA-N 367.796 2.661 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)cnc3[nH]2)cc1 586927141 USAPAFUNTFHJMZ-UHFFFAOYSA-N 363.826 2.830 0 1 FFAF O=C(O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588523 KYRBWZGCYINHTH-CXAGYDPISA-N 352.302 2.516 0 1 FFAF CC(C)(C)OC(=O)NCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652652 XOVDSHGPGQVGDI-UHFFFAOYSA-N 351.790 2.605 0 1 FFAF O=C(c1cc(Br)c[nH]1)n1ncc2ccc(Cl)cc2c1=O 587651384 RXZBRDMHXONTTD-UHFFFAOYSA-N 352.575 2.829 0 1 FFAF C[C@]1(C[C@@H](O)c2ccccn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963240923 ZZAWSAPCZGYZBZ-SFHLNBCPSA-N 363.417 2.568 0 1 FFAF COc1ccc2c(c1)[C@]1(CCCc3nc(O)c(C(=O)O)cc31)N[C@@H]1CC[C@H]21 962992501 GWEOSVURZFUZCM-PJUBBZNESA-N 366.417 2.923 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccnc1)c1ncc[nH]1 963614172 WQGLRPNOQOFJFR-RNODOKPDSA-N 350.422 2.648 0 1 FFAF COc1cc(N)c([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(OC)c1 963038554 ZFSMATRZWRPRMQ-QKVFXAPYSA-N 367.449 2.603 0 1 FFAF COc1ccccc1NC(=O)[C@H](Cc1ccc(Cl)cc1)c1nn[nH]n1 5671231 AKICDQBJUYUDMG-CYBMUJFWSA-N 357.801 2.827 0 3 FFAF CCc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC 169328566 CNSCNIHXKSVWAL-UHFFFAOYSA-N 360.435 2.544 0 1 FFAF CC[C@H](O)/C=C\C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 169622089 AOPOCGPBAIARAV-ONBWEYNRSA-N 350.455 2.905 0 1 FFAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@@H](c2ccoc2)NC(=O)N1 1857541558 BEYCMHLJJZPGDK-MRVPVSSYSA-N 372.221 2.944 0 1 FFAF COc1cc(N2C(=O)CN(Cc3ccccc3)C2=S)cc(OC)c1OC 1857641119 GIAGJYRFHNIZTO-UHFFFAOYSA-N 372.446 2.846 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C=O)c(O)c(C(C)(C)C)c1 1857645161 IQPLRPYVRLKADX-OAHLLOKOSA-N 360.410 2.693 0 1 FFAF CN(C)c1cccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 1857770925 YOYRKAYTEPVHPV-UHFFFAOYSA-N 353.411 2.694 0 1 FFAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1 772920 QRURMBYSACLCCZ-IEBWSBKVSA-N 354.406 2.884 0 1 FFAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@@H]2CCC[C@]1(C)O 2356308169 WNRWNWFOYJAQIH-BYYRLHKVSA-N 360.406 2.854 0 1 FFAF CC/N=c1\c(NS(=O)(=O)c2cccc(F)c2)c(O)oc2ccccc12 103673170 HNRPAPBGFVDSQG-CYVLTUHYSA-N 362.382 2.999 0 1 FFAF CS[C@@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 26028716 CCFVWIDQXCAODS-QMMMGPOBSA-N 368.807 2.695 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CC3CCCCC3)C2=O)cn1 115732015 FVXLFNXCENMYRE-UHFFFAOYSA-N 371.441 2.885 0 1 FFAF O=C(O)c1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)C2 27332174 MEQAOOCHTHQKRD-LLVKDONJSA-N 365.838 2.732 0 1 FFAF CN(CCCNCc1ccc2[nH]ccc2c1)c1nc(-n2ccnc2)ns1 34612166 FFTZPULGKVUJFQ-UHFFFAOYSA-N 367.482 2.821 0 1 FFAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccccc3)[C@H]1C2 72184192 DGYQFSRCYSJUTM-KBXCAEBGSA-N 353.447 2.881 0 1 FFAF CNc1nc2[nH]c(-c3cccc(CN(C)C(C)=O)n3)cc2c2c1ncn2C 73165899 DKKPLEUNYSABPM-UHFFFAOYSA-N 363.425 2.532 0 1 FFAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207423 YSSYJSNRKGPASN-INIZCTEOSA-N 370.371 2.960 0 3 FFAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3)C1)C2 84616572 HBKRWXFJDGMODH-KAKFPZCNSA-N 371.481 2.643 0 1 FFAF CC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 621441638 PHFKMQIUISHRJW-WAAFDHCGSA-N 374.868 2.537 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587771176 FQCJYBPWGHYEIO-AKENFEQQSA-N 369.278 2.811 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)OC=C1OCC(=O)O)CC2=O 587475799 AOOKYIDIEQBKGI-IBGZPJMESA-N 360.362 2.925 0 1 FFAF N[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1F 587152032 YCFSACSFOYZCJU-SFHVURJKSA-N 358.392 2.721 0 1 FFAF C[C@@]1(c2cccc(N3CCCC3=O)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962896254 BCFZEQRDPUCSIW-UWJYYQICSA-N 368.408 2.815 0 1 FFAF COCC[C@H]1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1 12307682 JUHGLYPSDFAUKP-OAHLLOKOSA-N 359.426 2.988 0 3 FFAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(C(=O)O)ccc21 169722181 FUUZLFFKNWEXKB-HNNXBMFYSA-N 372.308 2.745 0 1 FFAF COCCOc1n[nH]c2cc(NC(=O)NC[C@@H](C)c3ccccc3)ncc12 209379202 APNLHOVEQFBCKI-CYBMUJFWSA-N 369.425 2.908 0 1 FFAF CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 903258 BFJCKEOCFUDOFZ-UHFFFAOYSA-N 350.422 2.580 0 3 FFAF C[C@H]1C[C@H](O)C=CC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356437633 AAIKDNQBGRZMEM-WDEREUQCSA-N 366.797 2.675 0 1 FFAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O 6484712 YMHBIMMCQPKHPJ-RBUKOAKNSA-N 360.362 2.749 0 1 FFAF COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 103200258 HSKFKYVDOPZTIM-SZNDQCEHSA-N 366.417 2.684 0 1 FFAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COCC(N)=N1 68248430 BBTMSQSMAGSWCB-QGZVFWFLSA-N 362.792 2.729 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)[C@H](O)C(=O)CC(C)=C[C@H](C)[C@@H](O)C(C)=C[C@@H]1C 2356518357 NSIYKHMKVAGRQL-XPLCTNGVSA-N 352.471 2.804 0 1 FFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]2[C@@H]1C 2356641419 OSNBPYDQOYZESG-NZSOTPCYSA-N 366.546 2.865 0 1 FFAF Cn1c(=O)c2cnc(Nc3ccc(C(=O)O)cc3)nc2n1-c1ccccc1 29042669 VXPGSWUSBILLRA-UHFFFAOYSA-N 361.361 2.561 0 1 FFAF CN1C(=O)S[C@H](Cc2ccc(OCCN(C)c3ccccn3)cc2)C1=O 28521944 BMIXKAGKXQFYHW-MRXNPFEDSA-N 371.462 2.833 0 1 FFAF CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 36289032 UZJBMSVTHSAMOG-UHFFFAOYSA-N 351.410 2.589 0 1 FFAF COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 74388242 BHOLUKKMDIXKFV-AWEZNQCLSA-N 360.479 2.906 0 3 FFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)COc3nccc(N)n3)C[C@@H]1O2 40936220 HMIRLKBYJRONAD-RBOXIYTFSA-N 369.421 2.980 0 1 FFAF COc1ccc(-c2c(C)nc3c(N4CC[C@H](O)C4)cc(C)nn23)cc1OC 1911583252 POBVQUJQKOHSPO-HNNXBMFYSA-N 368.437 2.601 0 1 FFAF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccco1 82142822 AKBJEARWZCBYQL-UHFFFAOYSA-N 356.382 2.626 0 1 FFAF COc1ccc2c(c1OC)CN(C)Cc1cc3c(cc1CC(=O)C2)OCO3 238786560 BHZJCCQTPIFMLP-UHFFFAOYSA-N 369.417 2.732 0 1 FFAF COc1cncc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149170 MHYHCHDUOPPDMB-NSHDSACASA-N 358.348 2.761 0 1 FFAF COCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655967 JKPFJBJZMJOECP-UHFFFAOYSA-N 359.332 2.546 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccn2C)N1 587757393 VHZMFKPXIASSEC-XXFAHNHDSA-N 367.218 2.789 0 1 FFAF Cc1cc(Br)cc2c1NC(=O)[C@]21NCCc2ccc(O)cc21 963351582 GXNKZBIECWFFIA-QGZVFWFLSA-N 359.223 2.805 0 1 FFAF C[C@@H]1O[C@@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 5810313 VNYPKNHJPZZNQO-OKDNKWQNSA-N 356.374 2.565 0 1 FFAF c1ccc2c(c1)CC(CN1CCN(c3cccc4c3OCCO4)CC1)C2 13743668 CBDKXYNKQOGHRL-UHFFFAOYSA-N 350.462 2.995 0 1 FFAF Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1 13912045 MAQRRFANFOCRSD-NRFANRHFSA-N 355.478 2.674 0 1 FFAF O=S1(=O)CC[C@@H](NCCOc2cc(F)ccc2F)c2cc(F)ccc21 1857537622 PEOXOSFSQZNJBP-OAHLLOKOSA-N 371.380 2.991 0 1 FFAF CCC(/C=C/C(=O)N1CCC[C@@H]1C(=O)OC)=C\c1ccc2c(c1)OCO2 1857578091 QWCJQWQUSDYLOT-MDFOLTLVSA-N 357.406 2.929 0 1 FFAF O=C(Nc1ccc(OC2CCCC2)c(-n2cnnn2)c1)c1ccncc1 1857578368 YMDZCFDFNSDZFH-UHFFFAOYSA-N 350.382 2.631 0 1 FFAF CCC(=O)NCCc1cn(C(=O)CCCC(=O)O)c2ccc(OC)cc12 1857604428 YGNBZTUGOZLKJX-UHFFFAOYSA-N 360.410 2.614 0 1 FFAF CCOC(=O)N1CCN(CC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 1857772270 MAUBXLZYYGKTKR-QMTMVMCOSA-N 352.475 2.519 0 1 FFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)O 2356380512 IQSFEAHJUMVILC-PYYSJVIDSA-N 370.449 2.612 0 1 FFAF O=C(O)c1cccc(-c2cn(-c3cccc4c3cc(C(=O)O)n4O)nn2)c1 112931282 MFUPOHGAQSPUSQ-UHFFFAOYSA-N 364.317 2.523 0 1 FFAF CCCNC(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1CC 2356816964 DFVLTSKUBDWYEV-HZPDHXFCSA-N 352.500 2.640 0 1 FFAF COc1cc2c(cc1OC)[C@@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 85924035 KAYRJPGARKNUEX-QLYZTTDNSA-N 356.418 2.874 0 1 FFAF in-man C[C@@H](Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)cs1)C(=O)O 144316467 ZRQSXCHYQNMPCM-QMMMGPOBSA-N 350.371 2.654 0 1 FFAF CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 377815846 HRZIZHWGOUFXKN-UHFFFAOYSA-O 351.342 2.699 0 1 FFAF O[C@@H](CCN1CCN(C(=S)NC2CCCCC2)CC1)c1ccccc1 473134390 BTSBVRFGULSZAS-IBGZPJMESA-N 361.555 2.935 0 1 FFAF CNc1nc(Nc2cnn([C@H](CC(N)=O)C3CCCC3)c2)ncc1Cl 653843531 VJJDIEPOEQJVRH-CYBMUJFWSA-N 363.853 2.719 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587202056 BEDBZZQWWAOWGJ-LBPRGKRZSA-N 374.338 2.800 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N1CCOCC1 587863664 PVDXORGXCUYGNK-UHFFFAOYSA-N 355.316 2.878 0 1 FFAF COC1(OC)CCOC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836880 YJHSWKNPWTVHJE-ZUZCIYMTSA-N 374.250 2.727 0 1 FFAF CC(C)c1nn(C)c2c1[C@]1(CCCCC[C@H]1CN1CCC[C@@H]1CO)NCC2 962923243 YPSXZQLGPAGFJM-NJNPRVFISA-N 374.573 2.922 0 1 FFAF COC[C@@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C1 11662499 XYZRAZHAIUXUII-LLVKDONJSA-N 352.337 2.640 0 3 FFAF COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)cc1 12706228 PCMIHVHYLHCSMN-WXRFYESLSA-N 366.417 2.981 0 1 FFAF CCCCn1c(=O)c2c(c3cc(C(=O)NCCO)ccc31)CCCCC2 169328895 ZJLNPQROEWQFNX-UHFFFAOYSA-N 356.466 2.793 0 1 FFAF O=N[C@@H]1CCc2cc(-c3cn(C(CO)CO)nc3-c3ccncc3)ccc21 169686118 HVPGJUNTQVBAGO-LJQANCHMSA-N 364.405 2.892 0 1 FFAF Clc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1Cl 209697275 LZSPKWXBKYRXQL-UHFFFAOYSA-N 370.284 2.767 0 1 FFAF COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(N)cc2)cc1 1223034 KCJYQYRMWMIIPG-MRXNPFEDSA-N 350.465 2.714 0 3 FFAF CC(C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 2690452 LJVXTKCKRPXWMV-UHFFFAOYSA-N 367.434 2.931 0 1 FFAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4051931 GRKZBLUGOWQHPA-PKOBYXMFSA-N 352.434 2.913 0 1 FFAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1C1CCCC1 4410368 AKNRRJRROLTKDX-UFRUDQCGSA-N 371.460 2.942 0 3 FFAF C[C@H]1C[C@@H](O)C=CC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356437632 AAIKDNQBGRZMEM-QWRGUYRKSA-N 366.797 2.675 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3cccnc3)ccnc2O1 61903145 KCUZCKVUGZPMJA-GOSISDBHSA-N 361.357 2.815 0 3 FFAF COc1ccccc1N1CCN(CCOc2ccc3nc[nH]c3c2)CC1 33848594 RZQSGCXHBZSBTE-UHFFFAOYSA-N 352.438 2.773 0 1 FFAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 79800076 QVGAECMHUSHDCG-GDBMZVCRSA-N 371.393 2.796 0 1 FFAF OCc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 32064399 ABUPIJWHLLSVCH-UHFFFAOYSA-N 352.342 2.949 0 1 FFAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)O)cc1OC 95592964 XEVSHLQVADFJBV-CKDFRHGISA-N 356.374 2.956 0 1 FFAF COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@]2(OC)c3ccccc3-c3ccccc3[C@H]12 96909739 ZDVHMVKSKBNABO-XKGFGPFHSA-N 352.386 2.885 0 1 FFAF N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 51076623 LPKZAYNQZLMYDO-CQSZACIVSA-N 352.419 2.613 0 1 FFAF biogenic CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@@]2(C)[C@@H](NCCN)CC[C@H]32)C1 299872388 FFSMUXROXURAGP-RGZWSPCMSA-N 364.574 2.932 0 1 FFAF aggregator COC(=O)c1ccc(-n2c(OC)cc(C)c2OC)c(O[C@@H]2CCOC2)c1 587925093 NYDILMWDRFYQOZ-CQSZACIVSA-N 361.394 2.757 0 1 FFAF COC(=O)[C@]1(C)[C@@H](O)CC[C@@]23C(=O)O[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 1772601695 SBEUMDNGJJHCNL-CVNSRTJNSA-N 374.433 2.957 0 1 FFAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3cncnc3C2)cc1 166166843 GLUSWXKWUDMXQF-UHFFFAOYSA-N 353.426 2.800 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC(C)(C)C(C)=O 29326624 QRUGIBFAVQDPIS-UHFFFAOYSA-N 369.893 2.740 0 1 FFAF O=C1O[C@@H](Cn2ccccc2=O)CN1c1ccc(C2=CCOCC2)c(F)c1 27413204 LOXMVQLHUKCDPH-INIZCTEOSA-N 370.380 2.817 0 1 FFAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@H]2c3cc4c(cc3C[C@H]21)OCO4 2356477897 LUTHHZHBSYGWMF-UOWJPWOOSA-N 351.358 2.868 0 1 FFAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356574269 SWVDHUZTLUXSGL-AJWHHYCDSA-N 364.526 2.783 0 1 FFAF CO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@H]1O 2356596581 KVGCXSKAIUCSKN-LBBIBPJZSA-N 350.370 2.624 0 1 FFAF NCCOCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28377023 PHMHLMDLVDNVJG-UHFFFAOYSA-N 353.850 2.989 0 1 FFAF COc1cccc(CC(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 74377714 JPRWLOJJVFFCOR-MOPGFXCFSA-N 350.418 2.808 0 3 FFAF COc1ccc(NC(=O)C[C@@]2(C)N=C(c3ccccc3F)N(C)O2)cn1 74374444 OLVSACOGBUATOJ-SFHVURJKSA-N 358.373 2.598 0 3 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccccn1 49036803 IKQJYEKVFJCZMM-ZIAGYGMSSA-N 368.824 2.518 0 1 FFAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCO)cc1 40918180 XWHZWBCHFWPAMW-UHFFFAOYSA-N 352.434 2.666 0 1 FFAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCc2ccccn2)co1 82072310 OWOVIQXJBOIXFB-UHFFFAOYSA-N 365.389 2.561 0 1 FFAF COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)c(O)cc1O 238772950 KGBAVXLIBZBTBT-LBPRGKRZSA-N 362.334 2.536 0 1 FFAF COc1ccc2c(c1OC)Oc1c3c(cc4c1C(=NCC4)[C@H]2O)OCO3 238763882 JQEBJPPZOFIOMJ-HNNXBMFYSA-N 355.346 2.617 0 1 FFAF CCCCc1ccc(NC(=O)CSC(=S)N[C@H]2CCOC2=O)cc1 299863537 PJKWBAOMSDESPX-AWEZNQCLSA-N 366.508 2.891 0 1 FFAF Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1 299859143 HPROZIJWDVYNDL-ZBFHGGJFSA-N 355.442 2.651 0 1 FFAF N[C@H]1CC[C@H](NC(=O)c2ccc(O)c3nc(-c4cccs4)[nH]c23)CC1 653668774 KADSEBMOTREHLE-XYPYZODXSA-N 356.451 2.997 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587772453 VNRGWILFJKEGKC-FUGSTNKCSA-N 369.278 2.545 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)OCCO4)[C@@H](C2)C3=O 587454737 WNUTZLPEZPESDR-RNODOKPDSA-N 354.358 2.964 0 1 FFAF FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cnc2ncnn12 587128447 NEYYKKFJFZFRBS-UHFFFAOYSA-N 358.308 2.767 0 1 FFAF COc1ccc2c(c1)OC=C(N)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430707 BJLITMPJOKSHLK-VLIAUNLRSA-N 351.358 2.539 0 1 FFAF Cc1ccc(C)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc12 587226543 BCVREELBCVFMBI-UHFFFAOYSA-N 366.421 2.722 0 1 FFAF COc1c(C=O)cc(C)cc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963028253 LVUUXHMPSWHGGH-XCLFUZPHSA-N 350.418 2.959 0 1 FFAF COC(=O)[C@H](C)[C@]1(c2ccccc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023960 JFWMXUVBENAFDB-AYSMAOOMSA-N 364.445 2.793 0 1 FFAF COc1ccc(/C=C/c2cc(OC)cc(OC(=O)C(C)(CO)CO)c2)cc1 221463592 VACODJLPCOZDEN-SNAWJCMRSA-N 372.417 2.771 0 1 FFAF CCOC(=O)[C@@H](C)n1nc(-c2ccc(Br)cc2)ccc1=O 5397944 KQHIHMAVKVHVAP-SNVBAGLBSA-N 351.200 2.797 0 1 FFAF CC(C)O[P@@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857547608 PEQTVDTVQHQBMY-JOCHJYFZSA-N 355.352 2.656 0 1 FFAF CCN(CCCNC(=O)Cn1c(=O)oc2ccccc21)c1cccc(C)c1 2927561 OFFRWQQYXQKFQU-UHFFFAOYSA-N 367.449 2.936 0 1 FFAF COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 26974866 ZEMPGHLRDGSFGK-PMACEKPBSA-N 371.433 2.964 0 1 FFAF COc1ccc(-n2nc(C)n(CCSc3ccc(N)cc3)c2=O)cc1 58506726 CQEHTCMGTTZOLM-UHFFFAOYSA-N 356.451 2.726 0 1 FFAF Cc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 117364810 AHFNDPZJODGJTG-UHFFFAOYSA-N 363.461 2.714 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)[C@H](O)C(=O)CC(C)=C[C@H](C)[C@H](O)C(C)=C[C@H]1C 2356518354 NSIYKHMKVAGRQL-HPUSNRKTSA-N 352.471 2.804 0 1 FFAF NC(=O)C=CC=C[C@@H]1C=C[C@@H]2C=C[C@@H]3O[C@H](C=CC=CC=CC(=O)O)[C@H]1[C@H]32 2356552037 AQEGYTZKJNBFQS-XEFDQGCZSA-N 365.429 2.709 0 1 FFAF COc1cc(C)ccc1C(O)(COC(=O)C(C)C)COC(=O)C(C)C 14588685 CWMGBCPKGOZVNN-UHFFFAOYSA-N 352.427 2.590 0 1 FFAF biogenic O=C(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1c[nH]c2ccccc12 45245756 RHXSTFQXFPZOQI-UHFFFAOYSA-N 367.449 2.602 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCCCN(C)C)co1 82074051 DDGOGLQOOSRJOO-UHFFFAOYSA-N 373.453 2.607 0 1 FFAF CC1=C2CC[C@@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 238771661 HWHKBVPFJUPSOY-WYIRSORJSA-N 350.455 2.558 0 1 FFAF Cc1ccc(N2C(=S)N(S(C)(=O)=O)C(=O)C23CCCCC3)cc1 95872956 BUFIWVQSWWYGTP-UHFFFAOYSA-N 352.481 2.591 0 1 FFAF CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95874736 XYCHWFJUQDPBHN-FKBYEOEOSA-N 365.477 2.520 0 1 FFAF Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cccc(Cl)c2)n1 95577083 VCZAFUUQQIEMKI-UHFFFAOYSA-N 367.800 2.711 0 1 FFAF COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](C)N2)cc1OC 299858898 FCBXYZBKUPSZOV-NSHDSACASA-N 350.378 2.604 0 1 FFAF CS(=O)(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609430 VTGIEOWIFSASSY-APWZRJJASA-N 374.414 2.547 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H]3CCOC3=O)c1)O2 587411758 KCKPAZYZTNKIQL-MSOLQXFVSA-N 353.374 2.978 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1N)OCCO4)[C@@H](C2)C3=O 587432502 MRTKERCREIKGJL-RBZFPXEDSA-N 353.374 2.711 0 1 FFAF COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2C[C@@H]1C(=O)O 587212899 SCGCFERTXMRLDD-FHSNZYRGSA-N 366.417 2.590 0 1 FFAF N=c1ncc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c[nH]1 587254129 GRDSUXZSOWNHOK-UHFFFAOYSA-N 368.198 2.604 0 1 FFAF COc1cccc(C[C@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440197 BADRSQLYFJQVFW-QRWLVFNGSA-N 354.358 2.517 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1 587224525 JRHFLCXVVPGPMN-UHFFFAOYSA-N 353.378 2.992 0 1 FFAF Nc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1CC(=O)O 587249399 LDSJTMYPRYHEKW-UHFFFAOYSA-N 362.183 2.907 0 1 FFAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2ncccc21 963526907 PDXQWICSWLUICA-HTAPYJJXSA-N 358.397 2.967 0 1 FFAF Cc1cc2c(cc1O)C1(C=CN(C(=O)OC(C)(C)C)C=C1)N[C@H](C(=O)O)C2 963523402 HKPBSLSTYDSBCI-HNNXBMFYSA-N 372.421 2.773 0 1 FFAF C[C@@H]1C[C@H]2O[C@H]2CCCC[C@@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169297842 RQDJFQUVMRTABT-ZMRCNFHJSA-N 370.829 2.931 0 1 FFAF O=C1OC[C@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@H]12)OCO4 14676850 SCTKDFCQZSBHEE-QQGDVQBRSA-N 352.342 2.621 0 1 FFAF biogenic,in-vitro O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCC1)c1ccccc1 1857635359 WJUKHXOWWYPKDK-IBGZPJMESA-N 352.434 2.746 0 1 FFAF Cc1ccc(NC(=S)[C@@H]2C(=O)c3sccc3N(C)S2(=O)=O)cc1 4050183 BVEPPESNAYNWJI-AWEZNQCLSA-N 366.489 2.827 0 1 FFAF O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@@H]1CCCCC1=O 103215793 WNLGVZDBBSGNGL-GFCCVEGCSA-N 365.238 2.956 0 1 FFAF N[C@@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CC1c2ccccc2Oc2ccccc21 26938903 PEXNVLBTVVVKBD-XFKAJCMBSA-N 353.374 2.673 0 1 FFAF O=C1CN2Cc3cc(OCCCCCCn4ccnc4)ccc3NC2=N1 26262520 FLLMDLAIBCHGCR-UHFFFAOYSA-N 353.426 2.646 0 1 FFAF O=c1cc([C@@H]2CCCN(Cc3ccc(-c4csnn4)cc3)C2)nc[nH]1 23191589 UREQVPOXUQBESD-OAHLLOKOSA-N 353.451 2.668 0 1 FFAF NC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 64539864 XLVMADINVYYTKE-UHFFFAOYSA-N 365.315 2.949 0 1 FFAF COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C 238770531 HLWQPWKHHFLJCJ-JRWQPYMESA-N 368.514 2.821 0 1 FFAF CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12 95602512 HFEZTZIGAQWZAW-GFCCVEGCSA-N 350.371 2.576 0 1 FFAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cnncc2[nH]1 586999742 HMYARWRUSSDMFF-UHFFFAOYSA-N 359.139 2.594 0 1 FFAF Fc1ncc(Br)cc1-c1nc2c(S)nc(S)nc2[nH]1 587177831 BIOODCJEUBIEBS-UHFFFAOYSA-N 358.221 2.894 0 1 FFAF CN(CCO)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334125 HLKCLRNVCLALEV-ICSRJNTNSA-N 359.397 2.573 0 1 FFAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@@H]1CCCO1 587392858 WJZDESFDFPRVRQ-VBKZILBWSA-N 356.422 2.596 0 1 FFAF COc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 587111646 NQXVVHVZZYXJHX-UHFFFAOYSA-N 350.300 2.915 0 1 FFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)CC1 586953757 ZADQEPXYHXNVDN-UHFFFAOYSA-N 361.389 2.978 0 1 FFAF O=C(c1cc(-c2ccncc2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587655196 VVMSKJVRQPEVCY-UHFFFAOYSA-N 351.753 2.524 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)O2 587385208 AOJNJHRJDMTHLZ-KDOFPFPSSA-N 350.390 2.870 0 1 FFAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 587217741 YVRICOOUCIPLOB-AWEZNQCLSA-N 364.405 2.622 0 1 FFAF C[C@@H]1CC[C@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 169303766 MVTNSOOORIFBMO-RABLLNBGSA-N 354.244 2.508 0 1 FFAF Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 206023291 TXBHFFCJEXRMKK-NVXWUHKLSA-N 374.437 2.866 0 3 FFAF COc1nc(OC)nc(Sc2ccc(C(=O)O)c(C(F)(F)F)c2)n1 1857551138 LZIWLSVUTNWHOR-UHFFFAOYSA-N 361.301 2.757 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1CCO3 113152835 SSKMJLXZQREERE-JTQLQIEISA-N 358.369 2.925 0 1 FFAF COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(F)cc1 2657365 UXUHQAOTOGRSCW-UHFFFAOYSA-N 359.353 2.510 0 3 FFAF COC(=O)C1=NN2c3ccccc3CN([C@@H](C)c3ccccc3)C(=O)[C@@H]2C1 6040252 MNVBFXULXCFHSO-LIRRHRJNSA-N 363.417 2.898 0 1 FFAF CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 26001563 YMNXNKSMJMDKPY-UHFFFAOYSA-N 362.480 2.580 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@@H](C4)[C@@H]3[C@H]1C 29228270 ILXJSQQEACLYCI-AHSHBQQDSA-N 353.462 2.903 0 1 FFAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4cc(C)ccc4n32)cc1 2356299677 LKAXLXSBAYUCJT-OAHLLOKOSA-N 351.406 2.855 0 1 FFAF Nc1ncc2c(n1)C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 34891513 LDYUPYYVZJQEQS-XHDPSFHLSA-N 364.858 2.553 0 1 FFAF OCCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1 84635555 QIIXBNKNCJWJNB-UHFFFAOYSA-N 358.829 2.529 0 1 FFAF CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O 40860423 XSRGCPIJIJNURP-UHFFFAOYSA-N 357.410 2.693 0 1 FFAF CCn1c(=O)n([C@@H]2CCN(CC3CCCC3)C[C@H]2CO)c2ccccc21 96903530 KPCSJWDURVFKAP-ZWKOTPCHSA-N 357.498 2.868 0 1 FFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893692 JWRMARUXAIOAHV-HKBOAZHASA-N 365.477 2.954 0 1 FFAF CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253915550 AKYKYHKJUHUACD-YGJPYRPGSA-N 350.499 2.681 0 1 FFAF CCOC(=O)C1=CN(C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518246 DGYROEUSCKZUSE-OAQYLSRUSA-N 369.417 2.579 0 1 FFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587963512 NSSXZRKCHMLJIK-WCQYABFASA-N 351.410 2.780 0 1 FFAF Sc1nc(S)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587043259 YGNOXCAVXKCSBB-ZJUUUORDSA-N 361.521 2.877 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(S(C)(=O)=O)c2c1 587650932 XMYRQXZBZANJCM-UHFFFAOYSA-N 367.423 2.781 0 1 FFAF C=C1C=C(C)N2NC([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)=NC2=N1 587483389 MFSLNTIMCXAVGM-INIZCTEOSA-N 352.394 2.684 0 1 FFAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ccnc2[nH]1 587111862 FBVIAMCOLYQAPA-INIZCTEOSA-N 363.343 2.959 0 1 FFAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 586914614 YNCNLYFMGRXYEP-UHFFFAOYSA-N 364.317 2.532 0 1 FFAF Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 205215485 UIOQCPHTCWIKNX-LSDHHAIUSA-N 354.458 2.618 0 1 FFAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(O)ccc1-2 1772620671 VKRSWDTUSDTNBW-AWEZNQCLSA-N 355.394 2.824 0 1 FFAF C[C@@H]1C(=O)CCCCCCCCC[C@H]2[C@@]1(N1CCOCC1)CS2(=O)=O 13143514 SHVUHSCYXGXOEY-NZSAHSFTSA-N 371.543 2.584 0 3 FFAF COc1cc(-c2oc3cc4c(c(O)c3c(=O)c2OC)OCO4)ccc1O 14436923 QDUQFPNXGXDSQJ-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF endogenous,in-man CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)C1 766867 LJQHBKRUOXTBSL-CQSZACIVSA-N 371.485 2.526 0 1 FFAF COCCn1cc(C(=O)N2CCCCC2)c2c3ccccc3n(C)c2c1=O 2466291 FMKGAHPCAMQUKW-UHFFFAOYSA-N 367.449 2.766 0 1 FFAF COc1ccccc1CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 3268513 JNHBCKXMWHPOFD-RDTXWAMCSA-N 351.468 2.510 0 1 FFAF O=C1c2c(Br)sc(Br)c2[C@H]2NC(=S)O[C@@H]12 6523910 QDHFASGVDRQOFS-NQXXGFSBSA-N 369.059 2.784 0 1 FFAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@]2(C)O 2356391723 AWUFGFYVINUPDN-RPWKVJMDSA-N 350.455 2.859 0 1 FFAF CN1C(=O)c2ccc(OC(=O)CCc3ccc(N(C)C)cc3)cc2C1=O 53314223 UKBUQDYEVIVLMV-UHFFFAOYSA-N 352.390 2.517 0 1 FFAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOC 103263997 YITQGEQLNZOFFK-UHFFFAOYSA-N 356.426 2.942 0 1 FFAF O=C(O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)O 27763882 AGMDSLMPDGGGGP-KRWDZBQOSA-N 355.390 2.578 0 1 FFAF CCCc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72108119 XSFQAJPCNSKWCR-UHFFFAOYSA-N 360.435 2.936 0 1 FFAF CCO[C@@H]1O[C@@H]2CN(C)[C@H]3CC(OC)=CC[C@]23c2cc3c(cc21)OCO3 2356427497 CQBZGAVUNOGFCS-MTQWCTHYSA-N 359.422 2.725 0 1 FFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 2356499335 BTOLLRDJMUUBFJ-MHTWAQMVSA-N 369.509 2.599 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2c1 2356589876 VZYQBRRUDRSHTA-CRAIPNDOSA-N 369.396 2.951 0 1 FFAF NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1 66260030 VPQNAOYBUITQEX-UHFFFAOYSA-N 374.322 2.756 0 1 FFAF COc1cc(/C=C2/N=C(C)N(Cc3ccncc3)C2=O)cc(OC)c1OC 84617567 HKIOCZVSQAJOTK-CXUHLZMHSA-N 367.405 2.909 0 1 FFAF CN(CCO)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cn1 96270029 PZBYSEUKCZDOQA-UHFFFAOYSA-N 357.454 2.825 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@](C)(O)[C@]21CC[C@@]2(COC(=O)C2)O1 95910326 ONWXEYIMXRNVDW-XCZAAACNSA-N 350.455 2.778 0 1 FFAF biogenic,in-vitro O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@@H]2CCCC[C@@H]12 618014208 OGVOASAFRGUXJR-GHMZBOCLSA-N 356.451 2.754 0 1 FFAF Cc1cnc(Cl)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12 586949925 GXCXZQBUCBDSGY-UHFFFAOYSA-N 350.831 2.882 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cncnc3[nH]2)cc1 587041600 ZXHCNDJGHYBVIV-AWEZNQCLSA-N 355.423 2.639 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc[nH]c(=N)c3[nH]2)cc1 587039506 FXZLRADGLGRICE-CQSZACIVSA-N 369.450 2.657 0 1 FFAF COC(=O)C(=O)C[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449824 HQMXKHFJCSISHS-BLVKFPJESA-N 372.398 2.532 0 1 FFAF CCOC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586962603 SPJPPGGKGQHCSD-QMMMGPOBSA-N 359.411 2.671 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nn1C 587868261 JVIDHCSSVCVSIC-UHFFFAOYSA-N 365.315 2.703 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O 587430305 TZHACJROITXUPH-YZMRXAKXSA-N 366.417 2.991 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)nc2O)N1 587776020 VMQLKAJSYPJWHJ-ZIDLFYJRSA-N 368.206 2.587 0 1 FFAF N[C@@H]1C[C@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccc(F)cc21 963230129 LNIKKEWZMMOMBZ-QFUCXCTJSA-N 363.392 2.620 0 1 FFAF Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(F)cn4)c23)no1 1772588787 MJSATGHBUPFMQD-UHFFFAOYSA-N 353.361 2.504 0 1 FFAF COc1ccc([C@H](O)CCN2CCN(c3ccccc3OC)CC2)cc1 13861745 OKSIZZBSWZAKPC-HXUWFJFHSA-N 356.466 2.950 0 1 FFAF C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15219760 SUVZUTHVKIBYOH-KPZWWZAWSA-N 358.401 2.852 0 1 FFAF biogenic,in-vitro Cc1cccc2oc(-c3ccc(F)cc3)c(OCc3nn[nH]n3)c(=O)c12 1857581582 WYYORTGXVPQWNX-UHFFFAOYSA-N 352.325 3.000 0 1 FFAF CC(C)(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21 2466718 ZWUZGLYWMQMJGQ-UHFFFAOYSA-N 360.410 2.968 0 1 FFAF Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(N)c3)nn12 103248880 BSLULYRLQLLQKF-UHFFFAOYSA-N 360.421 2.672 0 1 FFAF COc1cccc([C@H](C(=O)O)N2CCCN(c3ccnc(C)c3)CC2)c1 108004389 YSNXQXBFORIQMD-LJQANCHMSA-N 355.438 2.737 0 1 FFAF Cc1cccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 100703231 TZAAXZGVIJOGJZ-OAHLLOKOSA-N 351.406 2.606 0 1 FFAF COc1c(Br)cc(C=O)c(OC(C)=O)c1Br 28652090 ZUAKDHIRCRGHAI-UHFFFAOYSA-N 351.978 2.958 0 1 FFAF C[C@@H](CC(=O)O)NC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2 28756476 DNUZGOCLFBAJAL-HNNXBMFYSA-N 359.470 2.838 0 1 FFAF Cc1nc([C@H](O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)c(C)o1 26579598 LXHWQKGHZBSTEW-CRMJKIRDSA-N 360.391 2.728 0 1 FFAF NC(=O)C=CC=C[C@@H]1C=C[C@@H]2C=C[C@@H]3O[C@H](C=CC=CC=CC(=O)O)[C@@H]1[C@H]32 2356552038 AQEGYTZKJNBFQS-YVJBSZDSSA-N 365.429 2.709 0 1 FFAF CC(C)N(CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O)C(C)C 27752617 VGLXIOYNWVFQPC-LJQANCHMSA-N 359.514 2.628 0 1 FFAF COc1c(OC)c([S@@](C)=S)c2c(c1N(C)C)CCS[C@H]2OC 2356813051 CCTXITJLTQGQNC-IVZQSRNASA-N 361.554 2.773 0 1 FFAF COc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N(C)C)cc23)c1 38318382 UPRSLNXZNSWEKF-UHFFFAOYSA-N 364.405 2.788 0 1 FFAF CCOC(=O)c1ccc(OCC[C@@H]2CN(c3ccc(C)nn3)CCO2)cc1 72126996 SOGNSBBKLSTULS-GOSISDBHSA-N 371.437 2.636 0 1 FFAF COc1cc2nc(N3CCCC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119600 NYIAJCZEBALDLQ-ZDUSSCGKSA-N 358.442 2.838 0 1 FFAF NCCNc1nc(-c2ccncc2)nc2c(Br)csc12 223686471 UCPPBHKKHBABBC-UHFFFAOYSA-N 350.245 2.886 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cc(CF)ccn3)CN1CC2 45355974 SSNJAKZRFZKNGS-LNLFQRSKSA-N 371.456 2.982 0 1 FFAF Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N3CCCN23)cc1 138548943 CCKGUXVAMPSUSD-SLFFLAALSA-N 361.445 2.839 0 1 FFAF Cc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N 146441583 TUDQYKXHNYUTET-UHFFFAOYSA-N 355.486 2.995 0 1 FFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2CCc1ccc(Br)cc1 261140413 MYVMDLNNVMLPQJ-LHKUXZHFSA-N 358.279 2.752 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc([C@@H]4CCN(C)C4)n3n2)c1 299827656 GVZQFFRWPPGWJK-GFCCVEGCSA-N 371.466 2.712 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCN(C)CC4)c1)[C@@H](C2)C3=O 587444885 RYFZBHOSZSFFGZ-AVRDEDQJSA-N 364.445 2.936 0 1 FFAF COc1ncc(F)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587176562 WFHHIZNULGOBNH-UHFFFAOYSA-N 366.356 2.832 0 1 FFAF COC(=O)CC[C@]1(c2ccccc2N)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434023 ZZNMHNWOTHSMMX-QVKFZJNVSA-N 367.401 2.874 0 1 FFAF CC1=C(c2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)NNC(=O)C1 586899965 XSCCAHFDCUPJLJ-UHFFFAOYSA-N 366.465 2.903 0 1 FFAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(O)cc2[nH]1 587181853 GBSBQDCUDKSLFI-MRVPVSSYSA-N 368.178 2.987 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccccn1)(C1CCOCC1)NCC2 962924414 JZIPNFVEZFTGFY-JOCHJYFZSA-N 365.477 2.599 0 1 FFAF CCCC[C@]1(C2CCCC2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215439 ALAVDZNZDUERLH-FIKGOQFSSA-N 370.497 2.743 0 1 FFAF CC(C)OCCNC(=O)c1cc(COc2cccc3cccnc23)on1 11933591 WUAVHKCQMLXNKZ-UHFFFAOYSA-N 355.394 2.957 0 1 FFAF CN1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1 12529861 XFZDWODDUYICFL-HOTGVXAUSA-N 355.442 2.573 0 1 FFAF biogenic CCCC[C@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759715 PLZMNWQRIDASHR-ZDUSSCGKSA-N 356.455 2.534 0 1 FFAF COc1cc(OC)cc([C@@H]2OC[C@@H](Cc3ccc(O)cc3O)[C@@H]2CO)c1 14641856 PIIRZBCQJFAHCK-WNYOCNMUSA-N 360.406 2.654 0 1 FFAF biogenic,in-vitro CC1(C)C(=O)C(C)(C)C12SC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 17885277 BSZGZXJPWCSXJO-KBPBESRZSA-N 357.475 2.909 0 1 FFAF CC(=O)N1c2ccccc2Sc2ccc([C@]3(O)CN(C)CCO3)cc21 169307105 GJJOJGCFEWDZKW-IBGZPJMESA-N 356.447 2.943 0 1 FFAF CC1=NC(=O)N[C@@H](c2ccco2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169729703 LEUBPLYBGDDPML-CVEARBPZSA-N 356.334 2.593 0 1 FFAF CCNc1nc(Nc2cnn3c2[C@@H](C)N(C)CC3)ncc1C(F)(F)F 205902986 HPGKXVFNOILWCK-SECBINFHSA-N 355.368 2.874 0 1 FFAF NCc1cc(Oc2cccc(C(=O)NCc3ccnc(Cl)c3)c2)ncn1 1857557311 QCNSADKNSKPBCF-UHFFFAOYSA-N 369.812 2.706 0 1 FFAF Cc1c(OCc2ccccn2)ccc2c(=O)cc(N3CCOCC3)oc12 604178 SHVXZNHKNBYMCJ-UHFFFAOYSA-N 352.390 2.912 0 1 FFAF COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(OC)cc1Cl 101747942 JZSBZZLZXMBWTG-CXDKZYLESA-N 351.786 2.819 0 1 FFAF CCN(CC)CCCCN1C(=O)C[C@@]2(CCCc3cc(O)ccc32)C1=O 27617634 ICFVIORGSMWJHS-OAQYLSRUSA-N 358.482 2.847 0 1 FFAF C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2 103253286 ZRALUYSQRKNIJM-VDGAXYAQSA-N 369.396 2.616 0 1 FFAF C[C@H](CN1CCN(c2ccc(F)cc2)CC1)Cn1c(=O)oc2ncccc21 28264659 XCZBNGUIOWXWTF-OAHLLOKOSA-N 370.428 2.587 0 1 FFAF O=C(NC(=O)c1ccccc1)Nc1ccc([S@@](=O)c2ncccn2)cc1 28571612 AKHGCIDJALYDNS-SANMLTNESA-N 366.402 2.605 0 1 FFAF CC[C@]12C=CCN3CC[C@]4(C5=C(NC4=C(C(=O)OC)C1)C(O)=CCC5)[C@@H]32 2356414321 JCNWTKLAHXIPKZ-PCCBWWKXSA-N 354.450 2.937 0 1 FFAF COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1[C@H](N(C)C=O)CC2 2356550558 XHONPTKYACVOQB-QGZVFWFLSA-N 369.417 2.815 0 1 FFAF CN1CCN(COc2ccc(-c3cc(-c4ccccn4)on3)cc2)CC1 28356757 OENAZTFZHICAGM-UHFFFAOYSA-N 350.422 2.987 0 1 FFAF COCCNC(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2C1 4222661 FBFUNULIRJWSRV-DOTOQJQBSA-N 363.498 2.832 0 1 FFAF biogenic O=C(NC[C@@H](O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1 217098585 XTOPAEURHUZXCJ-OAQYLSRUSA-N 373.456 2.855 0 1 FFAF Cn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(NC3CCOCC3)nc21 71297127 QRRNCBGQEYKNJL-UHFFFAOYSA-N 370.384 2.851 0 1 FFAF Cc1noc(C)c1-c1ccc2ncnc(NCCN3CCOCC3)c2c1 33361845 DOJDYGXFGQWIIF-UHFFFAOYSA-N 353.426 2.646 0 1 FFAF Cc1nn(-c2cnccn2)cc1CN1CCC2(CC1)OCc1ccccc12 40864169 IDXYNGRIGKPKPL-UHFFFAOYSA-N 361.449 2.992 0 1 FFAF COCCCc1cc(Nc2ccnc(NCc3cc(C4CC4)no3)n2)n[nH]1 84733956 WSNDHEGGDQJEPA-UHFFFAOYSA-N 369.429 3.000 0 1 FFAF O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3cnccn3)cnc2C1 95565175 JMWGYBXAQOLLOO-UHFFFAOYSA-N 357.776 2.789 0 1 FFAF O=C(c1ncccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655629 BSZPSFPKFVGDAV-UHFFFAOYSA-N 364.311 2.820 0 1 FFAF Cc1ccc2c(ccc3[nH]c(-c4ccc(CS(N)(=O)=O)cc4)nc32)n1 586929611 FXRDAQYWSBIMED-UHFFFAOYSA-N 352.419 2.875 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](CN[C@H]1C(=O)O)C3 587106286 KQSYCHOEYSYTII-UYWYVWFRSA-N 370.408 2.834 0 1 FFAF COCC(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587562793 FZYDVKYGJJNJQX-UHFFFAOYSA-N 367.121 2.982 0 1 FFAF C[C@@]1(c2c(N)cccc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232446 NRDILSZVMYHUPN-YLJYHZDGSA-N 351.381 2.819 0 1 FFAF COC(=O)c1cccc2c1CC[C@@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021409 GVICCBNHBKSREZ-WHEQGISXSA-N 362.429 2.716 0 1 FFAF O=C(c1n[nH]c2c1CNCC2)N1CCC(c2cccc(F)c2Cl)CC1 1772574373 CVCXGSKKNFKCRH-UHFFFAOYSA-N 362.836 2.868 0 1 FFAF Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccccc3)nn12 13493989 VVMOQQWICVMRIP-UHFFFAOYSA-N 355.405 2.966 0 1 FFAF O=C(NCc1ccc(C(=O)O)cc1)NC(=O)c1ccc(F)cc1Cl 13673958 PZMBCUZMIAHNNV-UHFFFAOYSA-N 350.733 2.817 0 1 FFAF c1cc2c(cc1O[C@@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 14690460 ZZMNWJVJUKMZJY-ITHTXLDVSA-N 370.357 2.883 0 1 FFAF endogenous,in-man CC[C@@H](C)OC(=O)C1=C[C@H](C(=O)O)Cc2c(C(O)=CC(=O)O)cccc21 2356328794 IFLVTPZFSFAHSE-GHMZBOCLSA-N 360.362 2.652 0 1 FFAF CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 103553826 HHSFJHANGGIQHQ-GCQDIAHQSA-N 356.466 2.752 0 1 FFAF CSc1ccc(CNC(=O)CCc2c(C)nn3cnnc3c2C)cc1 21540664 NLPKZNWGUNHQKT-UHFFFAOYSA-N 355.467 2.712 0 1 FFAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nnnn1CCc1ccncc1 28822085 ZASYBODFQONKMD-UHFFFAOYSA-N 362.315 2.582 0 1 FFAF COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(CCCC(C)(C)[C@@H]1CO)COC3=O 2356418213 ZNNJYKFHWZLLTN-MFUSKPCPSA-N 364.482 2.596 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N)CC[C@@]43C)[C@@H]1CC[C@H]2[C@H](O)[SH](=O)=O 2356646965 VRJYJHPMOLIEMS-UXGBMSEJSA-N 367.555 2.823 0 1 FFAF O=c1n(-c2ccccc2)nc2c3cc(Br)ccc3nc(O)n12 66252335 WBYGSGXZVZFAMC-UHFFFAOYSA-N 357.167 2.502 0 1 FFAF COc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccccc2)C3=O)cc1 73240730 YNCVYNYMINAJRP-UHFFFAOYSA-N 361.401 2.784 0 1 FFAF CCOc1ccc(CCNc2nc(N3CCCN(C)CC3)ncc2C)cc1 82202655 WLIFJVUOFNBBAF-UHFFFAOYSA-N 369.513 2.980 0 1 FFAF COC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C 95592009 PBLBSGAFSWVLCF-RNCFNFMXSA-N 353.419 2.993 0 1 FFAF C[C@@H]1CCCN1c1nccnc1C1CN(C(=O)c2nc3ccccc3[nH]2)C1 144713951 NQNKRCKQXRKBQF-CYBMUJFWSA-N 362.437 2.581 0 1 FFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cn1 95578755 OFTPVHUJNOOXJO-ZWKOTPCHSA-N 356.857 2.565 0 1 FFAF CN(C(=O)CCC(=O)O)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254016563 LURBQPNARFKMJP-SRCQZFHVSA-N 368.424 2.717 0 1 FFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@H](C)OC)[C@@H]23 28974131 LTOOPESWVADEAE-QGMZHCFDSA-N 354.450 2.536 0 1 FFAF biogenic CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 253685333 WSFPEOPUUJFNEF-KJJMTIBFSA-N 371.569 2.967 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3c(Cl)ncnc3[nH]2)C(F)(F)F)n1 587094233 NMKQCPPMICZPHU-NSHDSACASA-N 363.752 2.764 0 1 FFAF COC(=O)[C@H](OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796212 SNRSDEGRJQWZGB-AFEMSUNCSA-N 360.223 2.526 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586947296 VVVJVWKUCOYRRC-UHFFFAOYSA-N 372.494 2.949 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C)c(=O)c2)N1 587774175 NGVPASLXVDJMDR-ABKXIKBNSA-N 351.219 2.911 0 1 FFAF COc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 587038098 QKKCQOUGGHPWQY-SECBINFHSA-N 370.438 2.714 0 1 FFAF O=C(O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577737 ORNSPLVQUAORFM-PXNSSMCTSA-N 365.341 2.981 0 1 FFAF CN(C)CCOc1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154757 GMVSBKZNMIQCGS-QRWLVFNGSA-N 354.429 2.984 0 1 FFAF C[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584827 BFXLELCDQOVPAD-RXVVDRJESA-N 369.417 2.835 0 1 FFAF O=c1c2c[nH]nc2c2ccc(-c3cccc[n+]3[O-])cc2n1CC(F)(F)F 1772657083 YUEIWBNNOIZLLS-UHFFFAOYSA-N 360.295 2.741 0 1 FFAF COc1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 13147474 HOFGJNIUBPELBO-KNBMTAEXSA-N 352.390 2.662 0 1 FFAF CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccc2c(c1)OCO2 205229739 IBGGCKVHQOAKJL-IBGZPJMESA-N 371.368 2.923 0 3 FFAF CCCc1ccc(OCC(=O)N(CC(=O)N=c2cc[nH]cc2)C(C)C)cc1 1857575025 YSHTXFHSWVQKBV-UHFFFAOYSA-N 369.465 2.711 0 1 FFAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051587 ZAABBSDFYRKRDR-DOEAQHAXSA-N 356.422 2.895 0 1 FFAF O=C(OCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4094017 OTAIBVOSMCORKG-MHGIMSBQSA-N 363.369 2.948 0 1 FFAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1CCOC[C@H]12 103253328 XHIKAANVFPHWTD-SUMDDJOVSA-N 371.824 2.740 0 1 FFAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCc2ccccc2C1 101844201 WBVSVWHCSADXCR-UHFFFAOYSA-N 358.401 2.827 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100275708 YKLKQIKUUSJQGC-UJWMZTGESA-N 365.429 2.652 0 1 FFAF NC(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117621597 AHSKOFYKTBZUIW-XLIONFOSSA-N 374.444 2.996 0 1 FFAF O=C(Nc1cc(Cl)ccc1N1CCC[C@H](O)C1)c1cnn2cccnc12 113654070 OANAGZCVKVUSIU-ZDUSSCGKSA-N 371.828 2.596 0 1 FFAF COc1c(OCC=C(C)C[C@H]2C[C@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 2356721161 WIKPBGTZLCOVAL-XOBRGWDASA-N 374.389 2.583 0 1 FFAF COc1ccc2c(OC(C)=O)cc(OC)c(OC(C)=O)c2c1OC(C)=O 34443895 XVQQEKMKOXBXAN-UHFFFAOYSA-N 362.334 2.633 0 1 FFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1 73196420 NWXCHPFLJBTGEW-QGZVFWFLSA-N 365.518 2.768 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 31908323 GPBCQGAAWLZWIS-WNUGCIBYSA-N 369.483 2.863 0 1 FFAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O)ccc2C)cc1 49035285 SUZQAXQKUBUFCD-CBPXPLCBSA-N 356.462 2.692 0 1 FFAF COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1[C@@H](O)[C@H](O)[C@@H]2C 141350376 AKKFAKCBIIOLLX-AZQKNENQSA-N 350.499 2.825 0 1 FFAF in-vitro Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F 142175601 HYQXUWFGEGTNRX-UHFFFAOYSA-N 354.320 2.904 0 1 FFAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCC1 98084143 PJEVYNWMKMULAE-JQBYJRRVSA-N 372.468 2.974 0 1 FFAF CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12 96908241 ZHHCPRULJVHILG-UHFFFAOYSA-N 352.438 2.925 0 1 FFAF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(O)c(C(=O)O)c(C)c(C)c1O2 35458317 IIJWGNVHZZTJJU-UHFFFAOYSA-N 360.318 2.538 0 1 FFAF biogenic CN1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(F)(F)F)N1 587502302 DRVWGPAPVMTZGQ-FRFSOERESA-N 354.372 2.896 0 1 FFAF CCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587567919 ARYGEEBXPOPKKN-LPHOPBHVSA-N 363.373 2.739 0 1 FFAF COc1ccc2c(c1Br)-c1nc3nc(O)nc(O)c3cc1C2 587367115 SVOOBYIAGHRXNT-UHFFFAOYSA-N 360.167 2.778 0 1 FFAF C[C@@]1(CC(=O)Nc2ccccc2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908328 VFZYFYOWZBFNRY-LPHOPBHVSA-N 360.360 2.808 0 1 FFAF COCCOc1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962926511 PKLPVMNXGNXVAA-JOCHJYFZSA-N 368.477 2.823 0 1 FFAF CC(=O)Oc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963235732 RUAJBJLVFGHIFD-PMACEKPBSA-N 362.385 2.848 0 1 FFAF C[C@@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@@H]1O3 15203758 JDKOSPKTKADBCU-PNHOKKKMSA-N 354.358 2.948 0 1 FFAF CCCCC[C@@H](O)/C=C/CN(C/C=C\CCCC(=O)O)S(C)(=O)=O 169330682 NWTKHPNFGAQNLK-VVKKNQMCSA-N 361.504 2.557 0 1 FFAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N([C@H]2C=CCCC2)CC[C@]314 169341404 BWDSGNOGZAZICT-ZOWAETONSA-N 351.446 2.677 0 1 FFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)n[nH]c3cn2)cn1 205263988 UKAGZEMTXTYYHX-MRXNPFEDSA-N 373.464 2.953 0 1 FFAF CC[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2nc(C)cc(O)n2)c1C 1857616170 MBVMXHNTLDUOLU-OAHLLOKOSA-N 363.421 2.966 0 1 FFAF COC(=O)[C@H]1CCC(=O)N1[C@@H](c1ccccc1)c1ccc(OC)c(OC)c1 1645071 NCBACGVNPSVGJA-UZLBHIALSA-N 369.417 2.957 0 1 FFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1C(=COC)C(=O)O 2356380513 IQSFEAHJUMVILC-VOJYLLLMSA-N 370.449 2.612 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(C[S@](=O)CC2CCCC2)cc1 25969014 NEWTVTARTFDJKI-UUOWRZLLSA-N 353.528 2.863 0 1 FFAF CCN(CC)C[C@H](O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 103253502 RVXYJDHJRGVGDC-HNNXBMFYSA-N 357.479 2.828 0 1 FFAF NC(=O)[C@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127731 LQRQDIIPLDMQEU-QGZVFWFLSA-N 366.446 2.735 0 1 FFAF Cc1nn(C)c(NC(=O)[C@@H](C)N2CCCC2)c1C(=O)c1ccccc1F 29342321 WOBOCNUFGSNYDE-CYBMUJFWSA-N 358.417 2.521 0 1 FFAF COc1ccc(C2=C(Nc3ccc(Cl)c(C(=O)O)c3)C(=O)NC2=O)cc1 27716603 HSIOBBQTLZFSKH-UHFFFAOYSA-N 372.764 2.526 0 1 FFAF COc1cc(N)c(Cl)cc1S(=O)(=O)CCCCN1CCCCC1 26501683 IUOQIXPLXDEMMC-UHFFFAOYSA-N 360.907 2.971 0 1 FFAF COc1ccc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1O 14760257 JSRLRXYURNHHDK-HUUCEWRRSA-N 356.374 2.704 0 1 FFAF biogenic Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)C2 49073112 FWDSPKZKADMGQL-NHCUHLMSSA-N 368.452 2.831 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 238738826 QKXSRJAHTPTJNG-LVJHZNOCSA-N 368.514 2.916 0 1 FFAF CC[S@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(F)cc1F 96930146 BYGKUAPBOBUHDD-DHIUTWEWSA-N 365.467 2.814 0 1 FFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 261172367 UACZLMCCPCBKDO-JOCQHMNTSA-N 374.482 2.718 0 1 FFAF COc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)cnc32)c1 299830624 XNTIBMGLZNTNQR-UHFFFAOYSA-N 367.430 2.904 0 1 FFAF C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586888872 DGGYTIGTRQOQBK-JTQLQIEISA-N 365.842 2.940 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1c(C)nn(C)c1C)O2 587388846 BIKLWHABGZSSOW-DUIUGDAFSA-N 354.454 2.864 0 1 FFAF N=c1nc(O)c2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2[nH]1 587148261 AFDKSRUZRICADN-CYBMUJFWSA-N 350.357 2.812 0 1 FFAF CCOC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592996 BQNFPZABOYRCCU-FXAWDEMLSA-N 372.373 2.692 0 1 FFAF COC(=O)c1cccc2c1CC[C@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021410 GVICCBNHBKSREZ-XMHCIUCPSA-N 362.429 2.716 0 1 FFAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc[nH]1 13601792 MQRCNHWIJBHISY-SFHVURJKSA-N 362.364 2.699 0 1 FFAF CCCn1c(SCc2cccc(OC)c2)nc2c1c(O)nc(=O)n2C 1857561855 CBIGZXDVKLGCET-UHFFFAOYSA-N 360.439 2.547 0 1 FFAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4049242 PTPNDMHGALUWIQ-UYAOXDASSA-N 367.449 2.974 0 1 FFAF CC(C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216433 JILOHDONTQMNBP-RISCZKNCSA-N 354.838 2.993 0 1 FFAF C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H]1O 27625771 QGEQAZFXCIABEB-VRQVCZHKSA-N 373.493 2.746 0 1 FFAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@@H]1C(C)(C)C[C@H]2NC(C)C 2356855177 RAGXZSGHNVCTKK-JYWFKMLOSA-N 368.562 2.863 0 1 FFAF COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1F 40403061 RIHMUBRBFIFVPY-QGZVFWFLSA-N 355.321 2.931 0 1 FFAF COc1cc2nc(N3CCC[C@@H]3C(=O)OC(C)(C)C)nc(N)c2cc1OC 82131315 GQIVIVUQSKBKBK-CYBMUJFWSA-N 374.441 2.540 0 1 FFAF Cc1cccc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12 43067661 SXZFUFRFYNXUNN-UHFFFAOYSA-N 365.389 2.859 0 1 FFAF COCCNC(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2C1 25209075 FBFUNULIRJWSRV-RDJZCZTQSA-N 363.498 2.832 0 1 FFAF biogenic C[C@@H]1C[C@@H]2OCC3=CCC[C@@H]([C@]32CO)[C@]1(C[C@H](O)c1ccoc1)C(=O)O 146282100 IMVOSSZWEWPSNK-BUMQKKKESA-N 362.422 2.528 0 1 FFAF C[C@]1(c2cccc(O)c2)O[C@@H]2N3[C@H]1OC[C@H]3O[C@]2(C)c1cccc(O)c1 299829010 JSZCJTFFFLFQBJ-LCWAXJCOSA-N 355.390 2.599 0 1 FFAF CCOC(=O)[C@@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435726 IXSJWZWHSMPBIR-JLTOFOAXSA-N 353.374 2.605 0 1 FFAF Cn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N 587582593 QCFRBDJIWDZUJZ-DNVCBOLYSA-N 351.362 2.585 0 1 FFAF C[C@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336146 JDZHNIMPCFMEOA-UYAOXDASSA-N 366.348 2.889 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587125759 UAQMAUIBFSVOMW-UHFFFAOYSA-N 351.350 2.678 0 1 FFAF CC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337533 PVCRLNHFPUVQJD-HBFSDRIKSA-N 355.365 2.928 0 1 FFAF CC(C)OC(=O)c1ncccc1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905256 PEHYGIPTCVZTFD-JXFKEZNVSA-N 372.396 2.648 0 1 FFAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3c(nn2)OCCO3)c1 963001344 AQXBTQMULDAUGL-SFHVURJKSA-N 366.446 2.852 0 1 FFAF COC(=O)c1ccc(C(=O)N2Cc3ccc(OC)cc3O[C@H](C)C2)cc1 14957006 UTZIQERXDFMPFQ-CYBMUJFWSA-N 355.390 2.905 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 169296753 YKLKQIKUUSJQGC-SGVZTEBKSA-N 365.429 2.652 0 1 FFAF C[C@H]1CNCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 203873527 YSDCXPRESMDZSH-LBPRGKRZSA-N 366.396 2.932 0 1 FFAF Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@@H]1CO 1857576858 CJDCZVBFZVDWJU-IAQYHMDHSA-N 360.410 2.878 0 1 FFAF CCN1CCCCCCC[C@H](NC(=O)c2cc3[nH]nnc3cc2OC)C1 578169 KFPRPCFGUGLTDN-AWEZNQCLSA-N 359.474 2.741 0 1 FFAF CC(C)O[C@@H]1CCC(=O)N1S(=O)(=O)c1cccc(C(F)(F)F)c1 3775841 FCECKPSEBQWTHG-CYBMUJFWSA-N 351.346 2.768 0 1 FFAF CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC1CCCCCC1 103996952 XICGDBNECXRPRW-XGEHXYRQSA-N 357.406 2.743 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@H](Cc2ccccc2)O1 29315932 RIVVOSUHDSFWNP-PXNSSMCTSA-N 373.449 2.656 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CC[C@H]2CCCCN2C1 36093036 VTFNJDHZVZDGIG-CHWSQXEVSA-N 351.878 2.925 0 1 FFAF NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)CC1 36381461 BZCQLLISCTUASM-UHFFFAOYSA-N 359.451 2.673 0 3 FFAF O=C(C1CC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95877482 SUIBKFBZOYMXIB-CQDKDKBSSA-N 351.244 2.535 0 1 FFAF C=CS(=O)(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1 148451090 RPPXTNCWBNBGBL-UHFFFAOYSA-N 358.427 2.542 0 1 FFAF C/C(=C/Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12)CO 238736755 UFCGXNZEVGKUQA-SGAXSIHGSA-N 370.357 2.764 0 1 FFAF COc1ccc(Cn2nnc3c2[C@@](C)(O)CC[C@H]3OC(=O)NC(C)C)cc1 263620302 CDAJJINZTVFCPA-BEFAXECRSA-N 374.441 2.512 0 1 FFAF in-vitro CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1 653850988 NANCFADVIHSXEF-UHFFFAOYSA-N 361.442 2.765 0 1 FFAF CC(C)c1nc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c2ccccn12 653790993 ZSXHAWBCPODHDP-INIZCTEOSA-N 370.497 2.688 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCSC[C@@H]1C(=O)OC)CC2=O 587494412 JXDLZZPUPHUMAU-FZKQIMNGSA-N 350.436 2.975 0 1 FFAF N=c1[nH]c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc-2c(Cl)[nH]1 587120910 ZMYQHUHVMQGNCX-UHFFFAOYSA-N 353.695 2.933 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](O)SCC(=O)O)O2 587409318 LHTDMYLHYZXJNH-RBUKOAKNSA-N 373.430 2.574 0 1 FFAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Cl 586931468 DKXFTIIACWLSLN-UHFFFAOYSA-N 355.803 2.735 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 586947760 DUWMKONJGKANED-UHFFFAOYSA-N 351.819 2.775 0 1 FFAF COC[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582838 RMWQPAUXVIXEET-XLIONFOSSA-N 366.373 2.629 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 587400495 QICIGTQIWQOBEN-ADYAMRHXSA-N 374.437 2.547 0 1 FFAF Cc1ccnc2c1CCN[C@]2(CC(=O)c1cn(C)nc1C)C(F)(F)Cl 963087958 NAKIMAOLFQRTFO-INIZCTEOSA-N 368.815 2.878 0 1 FFAF CCOC(=O)c1[nH]c2cccc3c2c1CC[C@H](NC(=O)C(F)(F)F)C3=O 5835967 JMGZHRPBQWBPDI-NSHDSACASA-N 368.311 2.521 0 1 FFAF Cc1ccc(N[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1C 12304130 FXPXBNILBMIGBH-GOSISDBHSA-N 356.470 2.753 0 3 FFAF CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496564 OYPPJMLKAYYWHH-NTIRKZIESA-N 368.470 2.545 0 1 FFAF endogenous,in-man CS(=O)(=O)N1CCC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 13820288 BBRYPNMGNHHFCL-VHSSKADRSA-N 359.495 2.511 0 1 FFAF Cc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@H]2C3)c1 169351342 MIIIQNSWBUGKEY-MRXNPFEDSA-N 367.474 2.521 0 1 FFAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)C/C=C\[C@@H](O)[C@@H](O)CC/C=C/2 169727610 RARIQBVDTKXPRY-UFJQPNTQSA-N 362.422 2.724 0 1 FFAF NC1=N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1COCC[C@H]12 168866340 BGRWOLNAPSRJIS-BJZITVGISA-N 371.824 2.740 0 1 FFAF CCc1c(-c2ccc(N3CC[C@@H](N)C3)cc2)nc(O)c2c(O)nsc12 1857581843 KZTIOWHLMDBRAN-LLVKDONJSA-N 356.451 2.869 0 1 FFAF Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)no1 692524 WJLRYFFGIIVKOX-GANFFNEQSA-N 363.373 2.547 0 1 FFAF CC[C@H](C)NC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C 3909730 UJNYLBNBGJZZBB-ZDUSSCGKSA-N 355.438 2.668 0 3 FFAF COc1ccccc1CN1CCOc2ccc([C@](C)(O)CN(C)C)cc2C1 55042599 QRTIQDJOIKDVTD-JOCHJYFZSA-N 370.493 2.859 0 1 FFAF CCC(=O)SCC(=O)N1CCS[C@H]1COc1ccccc1OC 27564566 PIFLHSDPLPNODE-HNNXBMFYSA-N 355.481 2.645 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN[C@H](C)[C@@]12CC[C@@H]2C 27744360 PERXRZUOQHGJMN-YYNKCLGXSA-N 351.878 2.827 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@H](OC(C)=O)C(C)=CCC1 2356600408 KUOMJFRFJMUJKK-IEGACIPQSA-N 350.411 2.716 0 1 FFAF O=C1C[C@@H](O)[C@@]2(Oc3cccc4c(O)ccc(c34)O2)c2c(O)ccc(O)c21 2356721624 KGZLWNLQQVXESZ-UZLBHIALSA-N 366.325 2.528 0 1 FFAF CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 49047851 JYBCSMXGFAKENQ-UHFFFAOYSA-N 356.451 2.791 0 1 FFAF CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196284 ZMOVDODFJXYJMH-UHFFFAOYSA-N 370.478 2.599 0 1 FFAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)(C)C)CC3 82196234 LYKPLFFWBMOGKP-UHFFFAOYSA-N 364.449 2.859 0 1 FFAF CCN1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O 96019397 UGFVFRLASGYFTH-UHFFFAOYSA-N 354.435 2.518 0 3 FFAF C[C@@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 140493758 ZULROTFSZUEJTM-OBNKQFAMSA-N 362.422 2.526 0 1 FFAF COc1cc(NC(=O)c2ccccn2)ccc1I 473082306 GZYXKOMOCPXRKT-UHFFFAOYSA-N 354.147 2.947 0 1 FFAF Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)n1 299843638 VLMWLYKBKZXSSL-SJORKVTESA-N 355.463 2.857 0 1 FFAF Cc1cc(COc2ccccc2S(C)(=O)=O)nc(-c2ccccn2)n1 653811085 FMPSQFXEQUKLFU-UHFFFAOYSA-N 355.419 2.830 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2c1 587239237 NIQKSCWIPUTHHZ-UHFFFAOYSA-N 358.423 2.823 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)nc2[nH]1 587094668 SGSJAVUCYUUUGB-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF C[C@]1(c2ccc(C(N)=O)s2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962702537 AUMVQFGWXRZOHC-ZBEGNZNMSA-N 368.380 2.756 0 1 FFAF Cc1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](N)Cc2cnc[nH]2)ccc1F 216650858 ABORJUNHBTVOPQ-KTWXZFIHSA-N 356.445 2.664 0 1 FFAF O=C(c1coc(COc2cccc3cnccc23)n1)N1CCSCC1 11843593 MHTGFLFMGNTOPF-UHFFFAOYSA-N 355.419 2.991 0 1 FFAF COCC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 13817417 JHDLIVFVWCDTHY-AWEZNQCLSA-N 352.434 2.741 0 1 FFAF CC[C@]12C=CC(=O)N3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 14620279 GQTPVPFEACGBJK-PCCBWWKXSA-N 350.418 2.748 0 1 FFAF biogenic CC(C)(O)c1ccc(-c2c[nH]c(=N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 1857600466 XNLYRGLSDVVESN-UHFFFAOYSA-N 374.444 2.736 0 1 FFAF CC(C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216439 JILOHDONTQMNBP-BXUZGUMPSA-N 354.838 2.993 0 1 FFAF CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC1CCCCCC1 103996942 XICGDBNECXRPRW-MCXUZDIPSA-N 357.406 2.743 0 1 FFAF CO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 101882074 LNWZPMHABIQESG-IDTYTIONSA-N 364.423 2.769 0 1 FFAF CC(C)=C[C@@H]1c2[nH]c3cc(O)ccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 2356462003 BLBXRRKAPHRFGY-KSZLIROESA-N 365.433 2.639 0 1 FFAF O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCCCCC1 71928011 CVMZLMUWSLVURV-UHFFFAOYSA-N 370.384 2.593 0 1 FFAF O=C1NC(=O)[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 82158211 CJTNODSVBHYQAY-BTYIYWSLSA-N 359.385 2.879 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 85953964 KQRXQIPRDKVZPW-FTMMXZFXSA-N 370.357 2.925 0 1 FFAF in-man O=C(c1ccc(F)cc1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1 220589293 GHNPQXLEGZPYHF-UHFFFAOYSA-N 357.776 2.858 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(C)=O)cc1 95571224 ZOZCRGVIGAMXOJ-NTRRRUBNSA-N 365.477 2.580 0 1 FFAF Nc1nnc(CCCCc2nnc(NC(=O)c3ccccc3)s2)s1 95575738 ISCKWIBUIUMFMF-UHFFFAOYSA-N 360.468 2.790 0 1 FFAF O=c1cc(N2CCOCC2)nc(NCc2cc(Cl)ccc2Cl)[nH]1 95575590 UBWLDIYHFNNEKV-UHFFFAOYSA-N 355.225 2.525 0 1 FFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCCC3)c21 96021161 RLCYQGRXARRNJH-MRXNPFEDSA-N 358.463 2.569 0 3 FFAF COc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12 34554168 SCGRUHAJSQVIGC-UHFFFAOYSA-N 360.417 2.808 0 1 FFAF biogenic C/C(=C/c1ccccc1)CN1CCC[C@H](c2nnc3n2CCNCC3)C1 299843051 LMFPKOZYVGOJJT-FCUDFIOSSA-N 351.498 2.707 0 1 FFAF O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)F)cc1 653792972 UTGVREPRODUTCI-UHFFFAOYSA-N 371.361 2.564 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C)N1 587767797 JRJPQLLAWBTXCM-XODPVKTHSA-N 369.278 2.811 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)[C@H](C)C2=O)N1 587760901 MWLQORFPPCXRJZ-LYGAQUJYSA-N 353.235 2.734 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 586915110 AWIGUMAWAFYRMC-YWZLYKJASA-N 374.404 2.755 0 1 FFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C(N)=O)c4[nH]1)(C3)C2 587950653 NKSACCJRKNRCJC-BRRVFRNMSA-N 353.422 2.815 0 1 FFAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227126 FKWQADGUEGLUIT-JNAXZKDPSA-N 356.422 2.638 0 1 FFAF COc1c(C=O)cc(C)cc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963028256 LVUUXHMPSWHGGH-ZUOKHONESA-N 350.418 2.959 0 1 FFAF c1cncc(CN2CCC([C@@H]3CCN(CCCn4cccn4)C3)CC2)c1 11821820 CDHNUDXGRLYQQX-OAQYLSRUSA-N 353.514 2.902 0 1 FFAF O=C(OCCCc1c[nH]cn1)c1ccc(I)cc1 13747342 QFNFPJBLDYXDDK-UHFFFAOYSA-N 356.163 2.804 0 1 FFAF CNC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737483 LJLQBMVVQVFJKG-MAUKXSAKSA-N 366.446 2.810 0 1 FFAF C[C@@H]1CC(=O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 14969738 FYLCZEUNDKNEIK-GLIFJGHCSA-N 360.406 2.614 0 1 FFAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(=O)O 167153423 WFWBIIFGTPBCHM-UHFFFAOYSA-N 373.405 2.746 0 1 FFAF CC1(C)O[C@@]2([C@H]3C[C@@H](Cc4ccc(=N)[nH]c4)C[C@@H](CO)C3)CC[C@H]1[C@@H](N)C2 2356379587 ZVWAIVBUSQDSJF-AUCYZEHXSA-N 373.541 2.736 0 1 FFAF CC[C@H](C)OC(=O)C1=C[C@@H](C(=O)O)Cc2c(C(O)=CC(=O)O)cccc21 2356328796 IFLVTPZFSFAHSE-QWRGUYRKSA-N 360.362 2.652 0 1 FFAF COc1ccc(CNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1 4930537 FKQASTZZKCBRNR-UHFFFAOYSA-N 367.449 2.558 0 1 FFAF CCOC(=O)CCCN1N=C2c3cc(OC)cc(OC)c3CC[C@H]2CC1=O 103301539 NVXBOJFZLFTWSG-ZDUSSCGKSA-N 374.437 2.546 0 1 FFAF NC(=O)C1CCN(c2ncnc3onc(-c4ccc(Cl)cc4)c23)CC1 20329842 KIWHWYSQQJUISD-UHFFFAOYSA-N 357.801 2.640 0 1 FFAF COCCN1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231671 SBXQDZDRUHOSGN-IBGZPJMESA-N 373.884 2.658 0 1 FFAF COc1ccc2c(c1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 5966907 RUNAFDLOXRYAAQ-ZWKOTPCHSA-N 355.390 2.676 0 1 FFAF biogenic CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 40390934 JOHQJQNTZCZUKW-LBWZGELYSA-N 372.339 2.966 0 1 FFAF CC(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 224678022 IGTNWPHKEMOAGM-HXUWFJFHSA-N 362.433 2.992 0 1 FFAF CC(=O)Nc1cccc(Oc2cc(NCCCN3CCCC3=O)ncn2)c1 82067622 CXLPFQILPAMCPP-UHFFFAOYSA-N 369.425 2.652 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCc3ccco3)co2)cc1 82070479 NLWQSVFGVRHMRB-CYBMUJFWSA-N 353.378 2.678 0 1 FFAF C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(-c2ccccc2)c[nH]1 95572616 CHSADFYHBHZDPU-GUYCJALGSA-N 350.422 2.530 0 1 FFAF NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 96928853 MRESXFBRGBARJF-UHFFFAOYSA-N 359.234 2.822 0 1 FFAF Cc1c2c(cc3c1[C@H]1O[C@H]1C=C1C(=O)OC[C@@H]13)C(=O)O[C@H]2c1ccoc1 238748281 ZTYBQWLDCYNQKE-BODMPHMZSA-N 350.326 2.868 0 1 FFAF CC(C)=CCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1c[nH]c2ccccc12 29320230 QPBWZQKYJJYRHK-OALUTQOASA-N 351.450 2.878 0 1 FFAF biogenic C=C1NN=C(n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)NC1=O 587860000 OHYTXFXIINPMSI-UHFFFAOYSA-N 366.208 2.608 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3cn[nH]c3cc2[nH]1 587193924 IPPFSYJYQBFTPX-GFCCVEGCSA-N 358.446 2.957 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N(C)C)cc1)O2 587385964 GEGPONIMWGIALH-OAQYLSRUSA-N 368.433 2.925 0 1 FFAF COC1(OC)CCOC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587834921 NKGKYXUWEGMZGQ-BMIGLBTASA-N 374.250 2.727 0 1 FFAF CCOc1cc(C(=O)OC)ccc1[C@H]1NCCc2c(C(=O)O)cccc21 963130996 MABRHLHMURELAC-SFHVURJKSA-N 355.390 2.805 0 1 FFAF CCNC(=O)COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)ccc1OC 962299601 OVVVGPMJAUNKHX-NRFANRHFSA-N 372.440 2.893 0 1 FFAF O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832032 OKSCENUJYGBZLG-UHFFFAOYSA-N 350.418 2.976 0 1 FFAF CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 5179344 TWUIBWLXZQOBCF-WOJBJXKFSA-N 366.461 2.837 0 1 FFAF O=c1c2ccccc2c(-c2cccnc2)nn1S(=O)(=O)c1ccccc1 603595 BWKLHUQJBOJUIA-UHFFFAOYSA-N 363.398 2.696 0 1 FFAF CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 2457379 QDMANWBXMCTCCC-LAUBAEHRSA-N 373.497 2.930 0 1 FFAF O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 2952413 QXXQOOFLZPSMCO-UHFFFAOYSA-N 355.369 2.638 0 1 FFAF CC[C@H]1N(C)C(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27989126 XPOYPEGICVZFLM-LJQANCHMSA-N 355.482 2.812 0 1 FFAF C[C@H]1NC(=O)[C@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O 61931346 GMTJRWMLUIEDSJ-SXRVWNEDSA-N 362.429 2.639 0 3 FFAF COc1ccccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 28520835 ASRRRJXQQKHUBG-UHFFFAOYSA-N 356.403 2.705 0 1 FFAF COc1cccc(N2CCN(CCOc3ccc4nc[nH]c4c3)CC2)c1 36399064 JHLSGMNEEQFWIU-UHFFFAOYSA-N 352.438 2.773 0 1 FFAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1ccnc(N)c1 45339478 JTGZBMUKWFGLIK-IBGZPJMESA-N 369.856 2.621 0 1 FFAF COc1nc(=O)cc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)[nH]1 221765396 PZGOKNURFTXNGH-UHFFFAOYSA-N 366.381 2.797 0 1 FFAF CCOC(=O)[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161901 HYCLJXHMLJXCKL-NSHDSACASA-N 361.398 2.533 0 1 FFAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2CCOCC2)c1 82145018 MWMVJTUFNLFFOX-UHFFFAOYSA-N 352.438 2.746 0 1 FFAF C[C@H]1C[C@H](C)CC[C@@H]1Oc1nc(N)c2c(=O)ccn([C@H]3CCC[C@@H]3O)c2n1 195520054 IPXVKACPVICYDY-BLDNINTCSA-N 372.469 2.663 0 1 FFAF COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccccc1 199210799 CHRDGZNZQDOXEM-IEBWSBKVSA-N 357.431 2.960 0 3 FFAF O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1 145051773 IVFWFHHENYUJLU-ZIAGYGMSSA-N 351.410 2.527 0 1 FFAF C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccc(F)c1 95603081 IUTJCIBYGIMQFU-FQEVSTJZSA-N 372.465 2.976 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@H]1C=CC[C@]23O 85692936 WUBXYSOSMBAKEM-GEINJRJHSA-N 358.390 2.534 0 1 FFAF biogenic CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473135303 HHHHQHKXHVAJGM-QGZVFWFLSA-N 358.825 2.765 0 1 FFAF CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@@H]3NN=C[C@H]23)c2ccc(F)cc2O1 299828934 JNPIMNXZTQZGNE-VNQPRFMTSA-N 356.401 2.755 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1 299825565 CSXIZIXESHLUAV-UHFFFAOYSA-N 366.406 2.750 0 1 FFAF Ic1cncc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587184962 OBYOYACDZZMALN-UHFFFAOYSA-N 365.130 2.958 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 587117966 YLLREIIHNGGJHP-UHFFFAOYSA-N 359.695 2.817 0 1 FFAF Cc1ncncc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659941 LHPOYXXMEDZHKR-UHFFFAOYSA-N 360.348 2.990 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)s1)[C@@H](C2)C3=O 587449016 OEWLLZNSOLSTRW-QFYYESIMSA-N 350.417 2.649 0 1 FFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1OC 587397894 CEOLMLWVAHQGMV-OAHLLOKOSA-N 357.362 2.999 0 1 FFAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)NCCc2cc(Cl)ccc21 963390896 OHMOPPMVJPGQLD-SFHVURJKSA-N 353.846 2.833 0 1 FFAF O=C1CO[C@H](c2ccc(-c3cc4c(cc3Cl)NC[C@H]4C(=O)O)cc2)CN1 1772609070 KAEKKSWHKAOWOV-PBHICJAKSA-N 372.808 2.788 0 1 FFAF C[C@H]1O[C@@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 5810311 VNYPKNHJPZZNQO-BNEJOLLZSA-N 356.374 2.565 0 1 FFAF C[C@H](c1nc(-c2ccc(F)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1 14948452 DQMBDCHZGNSUPU-ZANVPECISA-N 352.797 2.582 0 1 FFAF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 169694404 HSKGCCXWEWJRRQ-CYBMUJFWSA-N 352.438 2.819 0 1 FFAF CC[C@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166621737 FYTSMTNYDJSVKF-QGZVFWFLSA-N 353.422 2.735 0 1 FFAF Oc1cc2c(cc1[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 204637817 KQRXQIPRDKVZPW-RNWGTBAESA-N 370.357 2.925 0 1 FFAF endogenous,in-man Cc1ccc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1 205309569 CDDLLPJORCRLKB-UHFFFAOYSA-N 371.448 2.800 0 1 FFAF C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1[C@H](C)CCC[C@H]1C 4829391 ZGBPEYOUUKHDEK-MGPQQGTHSA-N 356.422 2.863 0 1 FFAF O=C(SCCC(=O)N1c2ccccc2C[C@H]1C(=O)O)c1ccccc1 27322625 YKFWAGJPIWVMBS-INIZCTEOSA-N 355.415 2.993 0 1 FFAF Cc1cc(C)c(S(=O)(=O)N2Cc3ccccc3-n3nncc3C2)c(C)c1 61924135 BQPXGRLYAUVAIX-UHFFFAOYSA-N 368.462 2.897 0 3 FFAF Fc1cccc2nc(N3CCN(CC4N=NN=N4)CC3)c3cccn3c12 27518632 MALBPOZMSCIDRI-UHFFFAOYSA-N 352.377 2.908 0 1 FFAF COc1ccc([C@@H]2Oc3c(O)cc(C=CC(=O)O)cc3[C@@H]2CO)cc1OC 2356496581 KPVRDBJJSXNPDY-LIRRHRJNSA-N 372.373 2.717 0 1 FFAF O=C(O)c1ccc(Br)cc1N1C=c2[nH]c3ccccc3c2=CC1 2356828190 ITMMRWAIQZHIDS-UHFFFAOYSA-N 369.218 2.667 0 1 FFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(OC)c2)C1 36380656 RGPXWBIXPPHDGT-UHFFFAOYSA-N 360.483 2.752 0 1 FFAF Cc1ccccc1C1=N[C@](C)(CC(=O)NCCOc2ccccc2)ON1C 74374140 FJGYJZUJDVYSIA-NRFANRHFSA-N 367.449 2.920 0 3 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1cccnc1 49110380 FPYSFTPLUFNAKW-LSDHHAIUSA-N 368.824 2.518 0 1 FFAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CCCC1 45284269 OPEAKWUBZWEFEN-UHFFFAOYSA-N 361.338 2.872 0 1 FFAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccnc2)ccc1=O 25408266 PXAXFMBNHZSVBC-ZBFHGGJFSA-N 361.401 2.763 0 1 FFAF biogenic C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@@H]1O[C@]13C 523041549 KAKQJNJAIGSYIU-IFWXXXFTSA-N 358.390 2.773 0 1 FFAF biogenic COc1ccc(O)c(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)c1 261163464 RICQQHOHCJAIGC-UHFFFAOYSA-N 352.415 2.788 0 1 FFAF aggregator O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377799760 BHZWDNVIDDUZHY-UHFFFAOYSA-N 361.202 2.914 0 1 FFAF C[C@@]1(c2cccc(O)c2)O[C@H]2N3[C@H]1OC[C@H]3O[C@]2(C)c1cccc(O)c1 299829012 JSZCJTFFFLFQBJ-UJMXGEILSA-N 355.390 2.599 0 1 FFAF O=C(O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588528 KYRBWZGCYINHTH-GUYCJALGSA-N 352.302 2.516 0 1 FFAF COC(=O)[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990281 BZMKQRMSOMIMNZ-KRWDZBQOSA-N 361.353 2.997 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586920462 KONGOOKBYRAABH-UHFFFAOYSA-N 356.325 2.963 0 1 FFAF CCOC(=O)Cc1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587094294 OYJPNPTZUZLCIR-SECBINFHSA-N 357.332 2.798 0 1 FFAF COc1nccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587094314 PIOJXBBYCVAZHL-CYBMUJFWSA-N 358.345 2.724 0 1 FFAF NC(=O)N=c1s[nH]c(S[C@@H]2CCCCc3ccccc32)c1C(N)=O 584905611 BLCWVDAFBKECPI-LLVKDONJSA-N 362.480 2.714 0 1 FFAF in-vitro COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCCC4)nc1)[C@@H](C2)C3=O 587443895 MNXGKAMKADMGPU-KXBFYZLASA-N 351.406 2.964 0 1 FFAF CCN(CC)c1ccc(-c2nn(C(=O)NO)c(=O)c3ccccc23)c(O)c1 587665046 KPHSGRNBJLUKIX-UHFFFAOYSA-N 368.393 2.562 0 1 FFAF COc1ccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1O 587787864 YZYBZMUNASMLRM-UHFFFAOYSA-N 350.334 2.812 0 1 FFAF COC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353670 ZSAAHPUVNCJHIS-UYAOXDASSA-N 374.364 2.839 0 1 FFAF O=c1c2c([nH]c3c(Cc4cccc(Br)c4)c(O)nn13)CCC2 957575046 JTUJWGVNYLLCKR-UHFFFAOYSA-N 360.211 2.570 0 1 FFAF CCn1ncc([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1C 963231850 ZZRJSPMFQZKKGX-UYAOXDASSA-N 350.422 2.622 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(C(=O)O)=COc2ccccc21 963602626 ADFDTXGPOQMOMW-QKVFXAPYSA-N 367.401 2.843 0 1 FFAF CC(C)=CCC[C@H](C)C[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208434 TWEMWIBEMUVFDW-OWLYRPNTSA-N 370.497 2.981 0 1 FFAF CC(C)(C)NC(=O)COc1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963352189 KTXQDPAMAYHVJI-HXUWFJFHSA-N 354.450 2.921 0 1 FFAF COc1ccccc1CN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O 12575151 AYFXMNPUEPQGOD-KRWDZBQOSA-N 370.449 2.994 0 3 FFAF C[C@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702956 FKDTZPRHWANBCA-WMLDXEAASA-N 364.327 2.510 0 1 FFAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CC[C@@H]1O 2356347135 JRCFLZQSHKOCLZ-PXNSSMCTSA-N 366.454 2.886 0 1 FFAF Cc1c2c(=O)n(-c3ccc(OCc4ccccc4)cc3)[nH]c2cc(=O)n1C 64447994 LVJKSDPRUUJIPK-UHFFFAOYSA-N 361.401 2.905 0 1 FFAF CC1=C2CC[C@H](C)[C@H]3CC[C@](C)(O)[C@@H](CC[C@](C)(O)C[C@H]2OC1=O)O3 2356835135 KOVBJQMWCQXYHR-JJDHGEEDSA-N 352.471 2.878 0 1 FFAF Cn1cc(-c2cnn3c(NC(C)(C)C)cc([C@@H]4CCCNC4)nc23)cn1 66105081 QOXFISGIIGUASU-CYBMUJFWSA-N 353.474 2.807 0 1 FFAF NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71281491 FSQYKDVXAWOXFX-MRXNPFEDSA-N 357.845 2.671 0 1 FFAF Cn1c(SC[C@@H](O)CO)nc(-c2ccc(F)cc2)c1-c1ccncc1 40866351 QMSCAASWXAIQKP-HNNXBMFYSA-N 359.426 2.734 0 1 FFAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 222218987 HLPARXMUJBJYFM-SNVBAGLBSA-N 365.437 2.943 0 1 FFAF in-vitro Nc1ccccc1NC(=O)CCCNCC(=O)Nc1ccccc1Cl 84670014 MFEWXKXZWNHPJH-UHFFFAOYSA-N 360.845 2.869 0 1 FFAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC 95667618 CXGOZFXOFMCAPH-WOIUINJBSA-N 370.493 2.845 0 1 FFAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC(=O)N1CCCn1ccnc1 95599642 XYRIPMRKWMBHJJ-HXUWFJFHSA-N 354.454 2.910 0 3 FFAF COCCn1c(=O)oc2cc3ncnc(Nc4ccc(OC)cc4)c3cc21 473127288 VNUNBNIYPOLHHO-UHFFFAOYSA-N 366.377 2.936 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)C(F)(F)C1 587132518 RPYVEFFIQSFHHP-SSDOTTSWSA-N 359.764 2.928 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(N)=O)CC2=O 587467632 BIRZCWWMZXLROI-SFHVURJKSA-N 355.390 2.915 0 1 FFAF COc1ccc(OC)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1OC 587927402 QFSJJSBIVNFYHL-UHFFFAOYSA-N 362.407 2.659 0 1 FFAF CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)/C(=C(\O)OC)C(C)=N2 13837531 YSXVYXGZUZSTKR-PILJQMSFSA-N 358.423 2.931 0 1 FFAF COc1ccccc1NC(=O)c1cc(-c2ccc(NC(=N)N)cc2)on1 169331225 UAHNXHQDVYYAQA-UHFFFAOYSA-N 351.366 2.908 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccncc1 169351552 XLDFTVNASFVNAV-HEGBZVHHSA-N 371.433 2.666 0 1 FFAF O=N[C@H]1CCc2cc(-c3cn(C[C@H](O)CO)nc3-c3ccncc3)ccc21 169686117 CRTJFFQEWFIJPJ-LPHOPBHVSA-N 364.405 2.719 0 1 FFAF CC(C)N(C(=O)C12C3C4C1C1C2C3C41I)C(C)C 1626438 WCVGLNVAMUMZJP-UHFFFAOYSA-N 357.235 2.557 0 1 FFAF C=Cc1cc(C(=O)OCC)n(S(=O)(=O)c2cc(Cl)ccc2N)c1 6403678 BEUOHDKNYAHJAX-UHFFFAOYSA-N 354.815 2.780 0 1 FFAF CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 103693880 IMMXITRXRWCZNY-UHFFFAOYSA-N 372.450 2.803 0 3 FFAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(N2CCNC2=O)c1 113541952 KCLLNOMQAROJFA-OAHLLOKOSA-N 367.449 2.956 0 1 FFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2cccc(O)c2)c1 64372955 XHOIRZJBFPASOX-FQEVSTJZSA-N 360.413 2.886 0 1 FFAF Cc1cccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)c1 26726561 YZUUILKYQVFYAE-IBGZPJMESA-N 367.449 2.589 0 1 FFAF COCC=Cc1cc(O)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356629203 VHVQTNBRDOVOOA-DNVCBOLYSA-N 358.390 2.976 0 1 FFAF Oc1cccc(-c2cc(NCc3ccncc3)nc(N3CCOCC3)n2)c1 66252298 SJPTWPFNOASQEM-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF CC[C@H](C)[C@@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 61936024 HXESXNDAKNWTFD-KBXCAEBGSA-N 373.501 2.534 0 3 FFAF CCCN1C(=O)N2C(=NC[C@H]2C)c2[nH]c(C34CCC(O)(CC3)CC4)nc21 36273989 IMQKVJBKURMEDI-PIHIASKNSA-N 357.458 2.547 0 1 FFAF COC(=O)c1c(C(F)(F)F)nn(C/C=C/c2ccccc2)c(=O)c1OC 84711789 WECOJIVNRXKATM-RMKNXTFCSA-N 368.311 2.771 0 1 FFAF NCCNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 40394854 JWMDMQGOJLNOPE-UHFFFAOYSA-N 365.256 2.742 0 1 FFAF CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2ccco2)s1 82166265 UAOCAVDWRFXPSP-UHFFFAOYSA-N 357.439 2.971 0 1 FFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@@H](CC3)[C@@H](CO)C[C@]41CN(C)C2 238737348 ULAUSBPEMLEEMK-RMLDPDKQSA-N 363.542 2.577 0 1 FFAF CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNCc1ccccc1 95666807 FWLVAAFQPAEDJF-PWRODBHTSA-N 367.493 2.723 0 1 FFAF NCC(F)(F)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96174994 AVHYIXDAOCBQIU-UHFFFAOYSA-N 355.348 2.917 0 1 FFAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@H]4CCC[C@H]3CN4)c(F)cc2c1=O 257808306 ACJIIVBPBQTKNA-YPMHNXCESA-N 371.412 2.504 0 1 FFAF Cn1cc(-c2cnc3ccnc(NS(=O)(=O)c4cccs4)c3c2)cn1 473106856 YHXDAPDUOBPZED-UHFFFAOYSA-N 371.447 2.893 0 1 FFAF Cc1nc(Nc2nc3cnc(N4CCN(C)CC4)cc3[nH]2)ccc1Cl 299834403 XQECFNPDJAMXBW-UHFFFAOYSA-N 357.849 2.810 0 1 FFAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)s1 587013749 BUHGANFGXNUCMQ-VIFPVBQESA-N 366.468 2.740 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cnn(-c3ccccc3)c1)O2 587391120 KQXQHNHATVLOQQ-FQEVSTJZSA-N 363.373 2.708 0 1 FFAF Cc1c(Br)cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1C 586929349 DWTXBEVOALQFIU-UHFFFAOYSA-N 369.244 2.585 0 1 FFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cccc(Cl)c2[nH]1 587227018 HUCFTKYPRLVTEL-UHFFFAOYSA-N 372.812 2.759 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 587872450 NIEXHWBZNYOUGB-DOTOQJQBSA-N 359.401 2.591 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCO3 587194875 ZCCKDWKYVLETKK-NSHDSACASA-N 362.430 2.809 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2nccn2Cc2ccccc2)N1 962904397 VQYWRFXPABDWIL-WMZOPIPTSA-N 351.381 2.759 0 1 FFAF C[C@@H]1[C@H]2C[C@@]34CO[C@H](O2)[C@@]1(C[C@@H](O)c1ccoc1)[C@@H]3CCC=C4C(=O)O 2356437965 NQGDTWVXUYEVGZ-CJUCBABHSA-N 360.406 2.892 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3CC)ccc21 6729049 LQYMNZYEXIWDGL-HNNXBMFYSA-N 350.484 2.939 0 3 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 105298231 IWEYXWIPVZEVPT-YXJUVECZSA-N 366.461 2.578 0 1 FFAF O=C1CC(=O)N(CCc2ccc(F)cc2)C(=O)N1CCc1ccc(F)cc1 102827761 XAMLEJIKUOQWRQ-UHFFFAOYSA-N 372.371 2.931 0 1 FFAF CC(C)(C)c1ccc(NC(=O)c2nnnn2CCc2ccncc2)cc1 28822093 CUSDBFVJPPIHLT-UHFFFAOYSA-N 350.426 2.861 0 1 FFAF CCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27746025 KLVLQWBDRZLXSP-AWEZNQCLSA-N 374.481 2.899 0 1 FFAF CCCCO[C@@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O 28530852 GYPDRBBZPZEGBL-CRAIPNDOSA-N 361.467 2.828 0 1 FFAF COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)o1 23369062 DNXPYPBGHJXFEA-INIZCTEOSA-N 370.405 2.604 0 1 FFAF CC[C@@H](C)[C@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 61936026 HXESXNDAKNWTFD-KDOFPFPSSA-N 373.501 2.534 0 3 FFAF O=C(CC(=O)N1CCC(Cc2c[nH]cn2)CC1)Nc1cccc(Cl)c1 28566565 FEFALLOOHWPKHT-UHFFFAOYSA-N 360.845 2.873 0 1 FFAF COc1cc(-c2cn(-c3ccc4c(c3)OCO4)nn2)cc(OC)c1OC 28568426 PZMOPTPOOCORID-UHFFFAOYSA-N 355.350 2.689 0 1 FFAF COC(=O)CC(=O)N(C)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1 26398932 TYTLGAFQFPKXAW-UHFFFAOYSA-N 371.389 2.700 0 1 FFAF COc1ccc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251497 CZLTUGLGNAYFFF-ZDUSSCGKSA-N 359.378 2.905 0 1 FFAF Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 61711219 AQODJJSXRAHXIU-FSPWUOQZSA-N 350.422 2.629 0 1 FFAF Cc1cc(CNC(=O)/C=C2\C(=O)N(c3ccncc3)c3ccccc32)on1 34030543 WKOZXZUANZIGFN-BOPFTXTBSA-N 360.373 2.756 0 1 FFAF COc1c(O)ccc2c1C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 14442097 BXLGLBCDUIMUFL-ROUUACIJSA-N 369.373 2.570 0 1 FFAF biogenic Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)c1 82146143 DUYJIFSSPHOLJI-UHFFFAOYSA-N 352.438 2.525 0 1 FFAF CN(Cc1nc2cccc(CNCCN)c2[nH]1)[C@H]1CCCc2cccnc21 45255355 KZTWYBMMGBUMJF-SFHVURJKSA-N 364.497 2.516 0 1 FFAF O=C(NOCCO)c1ccn2cncc2c1Nc1ccc(C2CC2)cc1F 98208435 SXXAGUWDTVENNX-UHFFFAOYSA-N 370.384 2.748 0 1 FFAF in-vitro C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)C1=C[C@@H](O)C[C@@H]32 85669702 CGQOKZXUXIPCDS-JYVNSGPYSA-N 358.390 2.534 0 1 FFAF biogenic CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 85925700 KYZIIBUTEUCONI-CYFJYMAVSA-N 362.422 2.747 0 1 FFAF biogenic CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@H]3NN=C[C@@H]23)c2ccc(F)cc2O1 299828931 JNPIMNXZTQZGNE-NUEKZKHPSA-N 356.401 2.755 0 1 FFAF O=c1oc2ccc(F)cc2c(=O)n1-c1ccc(Br)cc1F 653830178 YUANXIAYECFAMD-UHFFFAOYSA-N 354.106 2.985 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1N)[C@@H](C2)C3=O 587416914 GEDISPVRDGMLAV-BONVTDFDSA-N 361.195 2.924 0 1 FFAF CCOC(=O)C[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793905 OFVQTNHFCYUZAJ-QLJPJBMISA-N 374.250 2.917 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCCC3)OCC1=O)CC2=O 587476520 VETQGCUDYGIMRL-OAQYLSRUSA-N 371.433 2.628 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2c(C)cnc(Cl)c2[nH]1 587566350 IGJANPQEDRWLEG-UHFFFAOYSA-N 369.849 2.839 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cnccn1)CC2=O 587493059 ZGOHMDGNJARXNS-LJQANCHMSA-N 356.378 2.559 0 1 FFAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccn2N1 587585854 HACPLBJPWDYGIA-PXNSSMCTSA-N 362.341 2.525 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587447689 CWGQRGHAHRYFIX-KXBFYZLASA-N 358.415 2.675 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(F)c1)O2 587383798 GWTXZNUXVKNUTO-SFHVURJKSA-N 363.410 2.622 0 1 FFAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 587119265 RWJZESOGRRIEEK-UHFFFAOYSA-N 365.315 2.886 0 1 FFAF COc1ncccc1NC[C@@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142007987 HUHNJZDIQNMLIE-ZBFHGGJFSA-N 361.467 2.589 0 1 FFAF Cc1nc2ccccc2nc1Oc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1 1772593663 XSPIYGOSQXHRCW-LBPRGKRZSA-N 351.362 2.933 0 1 FFAF CC/C=C/C[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496568 OYPPJMLKAYYWHH-IPXSYUQXSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CCCCCCOc1c(OC)cc(C[C@H]2CN=C(N)N=C2N)cc1OC 13757747 RCAKBZPOARPETR-AWEZNQCLSA-N 362.474 2.507 0 1 FFAF Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(NCCO)n1 204916677 RMCJYQSYFOEYCP-UHFFFAOYSA-N 372.860 2.915 0 1 FFAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)s1 142491209 LFVBPBWMEWDRAV-DNVCBOLYSA-N 365.458 2.853 0 1 FFAF CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@]1(C)O3 6921208 XUFADPDSIPSIQE-UDKICSLYSA-N 368.477 2.521 0 1 FFAF COc1cc(C2=C(c3ccc4c(c3)OCO4)COC2=O)cc(OC)c1OC 27843013 FMRVKGBKDLKQKC-UHFFFAOYSA-N 370.357 2.909 0 1 FFAF CC1=CC2=c3cccc(C)c3=N[C@@H](c3cn(-c4ccccc4)nc3C)N2N1 104005878 SVKRYJPWDSSIEY-JOCHJYFZSA-N 355.445 2.653 0 3 FFAF O=C(NOCCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 103236708 TVQMHJXMIWQUGX-UHFFFAOYSA-N 356.466 2.608 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CC[C@H](O)[C@@](C)(O)CCC=C(CC1)C(=O)O2 2356823671 GNLWSSKGSXRXRI-RNQOJCNYSA-N 352.471 2.638 0 1 FFAF CC(=O)Nc1ccc(SC[C@H](C)CN2CC[C@H](O)CCC2=O)cc1 36382937 DOINGXUHBAVWKE-CZUORRHYSA-N 350.484 2.747 0 3 FFAF COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@H]4CC1)[C@H]32 13430664 HJAHCQDLTFWFQN-NASSWSRMSA-N 356.466 2.939 0 1 FFAF biogenic CCN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223664677 CKVYINCXYHYHEL-UHFFFAOYSA-N 354.483 2.502 0 1 FFAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccncc2)C(=O)O1 40407053 WYHSZXXDFKLCGM-FVECTHPASA-N 361.438 2.903 0 1 FFAF C[C@@H]1CN(c2cc(=O)[nH]c(NCc3cccc4ccccc34)n2)CCO1 95557462 LEGCWDRQKXHGEB-CQSZACIVSA-N 350.422 2.760 0 1 FFAF CC(=O)CN1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O 68571997 WEVNVPYPNOGBGW-HXUWFJFHSA-N 368.820 2.993 0 1 FFAF biogenic N=C1N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@@H]2C[C@H]2O1 473194451 HMEVXGWCKDIWSV-QGPMSJSTSA-N 363.339 2.627 0 1 FFAF C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ccc(N)cc4)C(=O)O[C@@H]3[C@@H]1O2 299818878 AZEXPVZYRATMPE-VBFOPHLNSA-N 355.434 2.844 0 1 FFAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1ccco1)C1CC1 473086192 BANBNWSAWFCAPQ-SFHVURJKSA-N 355.438 2.864 0 1 FFAF O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)Nc1ccccc1 473121640 QKJSCJMJRUXEEC-UHFFFAOYSA-N 354.391 2.901 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)nccc2[nH]1 586965691 VJCMRHWUABNGKM-UHFFFAOYSA-N 368.470 2.723 0 1 FFAF COc1ccc(C=O)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587787576 VSYSCLZMOXMTHM-UHFFFAOYSA-N 362.389 2.807 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc3ncccc3c2[nH]1 586930127 MHXTYQZYERSONK-UHFFFAOYSA-N 368.418 2.646 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3ccc(CCO)cc3[nH]2)C(F)(F)F)n1 587093424 DVOPPYRJDKXXDV-HNNXBMFYSA-N 371.384 2.855 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(=O)O)N1 587808553 ZQKFZPXESJLCGW-PWCHPLFNSA-N 354.179 2.633 0 1 FFAF COc1nccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587132056 IEILPWGPIBTMTO-SECBINFHSA-N 354.357 2.936 0 1 FFAF COc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522041 DOSABQAXPKYLAR-NRFANRHFSA-N 354.402 2.745 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CN2CCNCC2)(c2ccco2)N1 962957764 ZIFONELGPWPEMY-KSFYIVLOSA-N 364.493 2.834 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1COC2(CCCCC2)O1 1772593391 HXMKXETZPYTSRY-OAHLLOKOSA-N 351.443 2.748 0 1 FFAF CC(=O)c1cccc(NC(=O)C(=O)c2c(O)oc3ccccc3c2=O)c1 5713173 CIVHFOCZTGGBIQ-UHFFFAOYSA-N 351.314 2.523 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1 13819465 BKTQIZMNIGSJKP-AWEZNQCLSA-N 370.457 2.908 0 1 FFAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1cccnc1 201448431 PAPZASLKUUXXJX-OAHLLOKOSA-N 365.842 2.527 0 3 FFAF COCCCN1CCC(CNC(=O)c2cccn3cc(C(C)C)nc23)CC1 1857645633 XLPGLVZQYMQJEX-UHFFFAOYSA-N 372.513 2.936 0 1 FFAF NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1 1857748685 UEVVLACOQRQXSW-HXUWFJFHSA-N 358.917 2.990 0 1 FFAF NCCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101351416 WJRRNCUZSOIRET-CALCHBBNSA-N 366.417 2.689 0 1 FFAF Cn1nccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1 101598383 LGJYZUJRVPSIER-WKILWMFISA-N 364.449 2.829 0 1 FFAF O=C(O)CCC[C@@H](O)C=CC=CCC[C@H](O)CC=CCCCCC(O)O 2356284461 BZDHSIPNZCHPKA-MSOLQXFVSA-N 370.486 2.673 0 1 FFAF O=C([C@@H](NC(=O)n1nnc2ccccc21)c1ccccc1)N1CCCCC1 28114011 QZJIJZAMPAFRJC-SFHVURJKSA-N 363.421 2.743 0 1 FFAF CC1(C)[C@H]2C[C@@]34CCCN3C(=O)[C@@]2(CC4=O)C[C@@]12Nc1ccccc1C2=O 2356671412 YKFNOTOSNMPNBB-OUWXYEHJSA-N 364.445 2.804 0 1 FFAF COc1c(OC[C@@H]2O[C@]2(C)C[C@@H]2C[C@@H](C)C(=O)O2)ccc2ccc(=O)oc12 13360881 NMUNRSJTWXAARD-AXGMCQANSA-N 374.389 2.680 0 1 FFAF biogenic Cc1nc2cccc(-c3cc4c([nH]3)[C@H](CO)NC4=O)c2nc1NC(C)(C)C 222338579 LYKLXICYCIJMAH-HNNXBMFYSA-N 365.437 2.921 0 1 FFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82081065 ZCESRRQRZCZIAA-CYBMUJFWSA-N 356.403 2.917 0 1 FFAF O=C(NCc1ccc2c(c1)OCO2)c1nscc1NCc1ccncc1 40873896 KMQBYEYISLSNDK-UHFFFAOYSA-N 368.418 2.809 0 1 FFAF S=C(SCc1cn(Cc2ccc(Cl)cc2)nn1)N1CCOCC1 96285722 MPMSAGHTBWQNSF-UHFFFAOYSA-N 368.915 2.830 0 1 FFAF CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432945 SWCVHUVOQCMDHP-FOIQADDNSA-N 370.405 2.508 0 1 FFAF O=C(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cscn1 587027389 CEFLAJWPKWNJSF-UHFFFAOYSA-N 373.182 2.990 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncnn2C)(C2CC2)N1 587759999 NKUYQPOGPKFUSA-JDNHERCYSA-N 365.250 2.905 0 1 FFAF CN[C@H](c1cccnc1)c1nc2ccc(I)cc2[nH]1 587224343 RSXQYNJZQJEEGM-CYBMUJFWSA-N 364.190 2.871 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C1)CC2=O 587479897 DHGUFPCEWGQZAT-TYAQHUFXSA-N 359.422 2.521 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584744 AIKGUDYKYWTOIG-PBHICJAKSA-N 366.329 2.605 0 1 FFAF CCOC(OCC)[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962647031 UEUHYFLLKRKLPX-SFTDATJTSA-N 372.465 2.948 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CN2CCNCC2)(c2ccco2)N1 962957766 ZIFONELGPWPEMY-OPAMFIHVSA-N 364.493 2.834 0 1 FFAF CCOC(=O)c1ccc(N2CCC(CNC(=O)N3CCCC3)CC2)cc1 1772584794 PQPKLULTLKQZOF-UHFFFAOYSA-N 359.470 2.885 0 1 FFAF c1cncc(CN2CCC([C@H]3CCN(CCCn4cccn4)C3)CC2)c1 11821821 CDHNUDXGRLYQQX-NRFANRHFSA-N 353.514 2.902 0 1 FFAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCCC1=O 13862023 XDQXFQABFIWNIW-IRXDYDNUSA-N 360.454 2.955 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1CN=C3 113154430 SLLHJWJNIZVWNQ-NSHDSACASA-N 355.369 2.575 0 1 FFAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1F 114021511 UONXLDBCAGMDQX-GFCCVEGCSA-N 367.380 2.959 0 1 FFAF COC[C@@H](C)Nc1nccc(-c2nn3c(c2-c2ccc(F)cc2)OCC3)n1 28389974 DURXGGWABFGAOI-GFCCVEGCSA-N 369.400 2.985 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)c1 2356300816 YGHXYULUEBLNRC-NVXWUHKLSA-N 356.401 2.706 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@](C)(O)[C@@H]2CC[C@@]13O 2356594270 NOZRSQJXQYHBKF-GUXDEFLGSA-N 350.499 2.840 0 1 FFAF CC[C@]12CCCN3CC(=O)c4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 2356651813 CSZMJHLPPJDDBA-SESVDKBCSA-N 368.433 2.593 0 1 FFAF CC(=O)c1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28520452 SLLLZMZCNPPVMF-UHFFFAOYSA-N 368.414 2.899 0 1 FFAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 96018994 IVBBYQLZNLZBGV-NQIIRXRSSA-N 373.497 2.884 0 3 FFAF Cc1ccccc1-c1nn(C(C)C)cc1CNCCN1CCN(C)CC1 96938546 LBWAJPQTUQPSEV-UHFFFAOYSA-N 355.530 2.776 0 1 FFAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2ncnc12 230526898 UQYDLTVGUNGXDW-UHFFFAOYSA-N 368.303 2.842 0 1 FFAF O=C1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)CN1Cc1ccc(F)cc1F 587149191 MZPNVLLVQPPWMA-SECBINFHSA-N 363.755 2.752 0 1 FFAF Cc1cc(Cl)cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586958206 GOBLFLAGJVQUAC-MRXNPFEDSA-N 365.842 2.994 0 1 FFAF Cc1nc(=N)[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577917 UUZNHRVAZRODNU-JXFKEZNVSA-N 363.373 2.780 0 1 FFAF C[C@@]1(c2cnc[nH]2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963197131 MRIZXESEJHRBEO-XPTSAGLGSA-N 359.735 2.944 0 1 FFAF CCCSc1nc(NCc2ccc(C)cc2)c2nnn(CCO)c2n1 1772630524 BSISSHGVVHWTMS-UHFFFAOYSA-N 358.471 2.636 0 1 FFAF NC(=O)c1cnc(Nc2ccccc2)cc1N[C@H](CO)Cc1ccccc1 1772623904 DYYISJDEAFXAFE-KRWDZBQOSA-N 362.433 2.940 0 1 FFAF CN(C)c1ccc(-c2cc3ncccc3c(=NC[C@H]3CCCNC3)[nH]2)cn1 1857568586 BYMPQGHXDOZTHZ-HNNXBMFYSA-N 362.481 2.591 0 1 FFAF Cc1cc(-c2ccn3c(C(=O)N(C)[C@@H]4CCN(C#N)C4)cnc3c2)cc(C)n1 1857601586 QYCBTWHXIZGQLE-GOSISDBHSA-N 374.448 2.641 0 1 FFAF CC(=O)Nc1cc(C(=O)NC2CC2)ccc1S(=O)(=O)c1ccc(C)cc1 3007908 SXJJOYBWIPMNLR-UHFFFAOYSA-N 372.446 2.678 0 1 FFAF CC(C)Nc1nc(-c2ccc(N3CCCC3)nc2)cc2ncn(C)c(=O)c12 115624037 JCJJESYLMUJCMH-UHFFFAOYSA-N 364.453 2.811 0 1 FFAF CC(=O)O[C@@H]1C2=C(C(=O)OC2)[C@]2(C)CCCC(C)(C)[C@H]2[C@H]1OC(C)=O 2356466995 ZRLPTLKSJBPDJA-OLMMMNRUSA-N 350.411 2.549 0 1 FFAF COc1ccccc1C(=O)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356601261 PHRFPCXLPUKZIZ-RDTXWAMCSA-N 369.396 2.951 0 1 FFAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@](C)(O)[C@H](O)CC1)[C@H](C)C(=O)O2 2356653197 FZQSMOGFOFEWKN-ADXOPFBHSA-N 354.487 2.718 0 1 FFAF CC[C@H](C)[C@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O 2356788134 BXXKDKYMYMHCKH-BXJCWQANSA-N 373.453 2.577 0 1 FFAF NS(=O)(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 28007811 HOQLQPVCDIRBCJ-UHFFFAOYSA-N 374.399 2.652 0 1 FFAF Nc1ccnc(N2CCC(NC(=O)c3ccccn3)(c3ccccc3)CC2)c1 42890718 PLUFSHOXOOIOJE-UHFFFAOYSA-N 373.460 2.985 0 1 FFAF CC[C@@H]1CCc2cc(N)cc(-c3nc4c(c(C)nn4CC)c(=O)[nH]3)c2O1 45322474 FTPSXNQITGFFEU-CYBMUJFWSA-N 353.426 2.801 0 1 FFAF CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196314 YFOSLVDHOXMVHZ-UHFFFAOYSA-N 368.437 2.987 0 1 FFAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2c1ccc[n+]2[O-] 146666893 FVDCBANBKAFYKL-LBPRGKRZSA-N 372.730 2.785 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)nc(S)n2)N1 587842512 FZGRNCYFTCHGCS-IYQDAUBNSA-N 370.247 2.996 0 1 FFAF N=c1[nH]c2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc-2c(Cl)[nH]1 587111659 AAELOLGVTPRZNC-QMMMGPOBSA-N 356.739 2.632 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)nc(S)n1 587613167 MNRFYWRQCLZCLR-YOEHRIQHSA-N 368.370 2.879 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 587558857 UTONZLAPNINHAA-DOTOQJQBSA-N 362.433 2.988 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2N)N1 587748342 WIOKLDXSMXUGGW-AYVTZFPOSA-N 351.223 2.758 0 1 FFAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(S)nc2[nH]1 587201805 VRBWUENYBNOLRT-UHFFFAOYSA-N 367.475 2.928 0 1 FFAF COC(=O)c1cccc2c1CC[C@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963021401 GVICCBNHBKSREZ-DMZKTXOQSA-N 362.429 2.716 0 1 FFAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@]21NCCc2nc3ccccn3c21 962988786 YSQDQAHXNRJELH-ZSEKCTLFSA-N 363.417 2.694 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OC 5699786 UYANHVOBUOWDLZ-FVQBIDKESA-N 362.470 2.563 0 1 FFAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 15066183 UBUICMFQQZPMHK-ZDUSSCGKSA-N 364.829 2.522 0 3 FFAF CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2cnc3[nH]ccc3n2)C1 169076423 KYGMSHBHSDBHRQ-AWEZNQCLSA-N 350.426 2.751 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 169365687 PJQBNQWXRQYSNG-SZVBFZGTSA-N 357.431 2.550 0 1 FFAF O=C1NCCc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc21 1857762913 KIIYIIKQDDRKIH-UHFFFAOYSA-N 358.829 2.674 0 1 FFAF C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 4148744 PPQMZTDIRJGHLH-SOUVJXGZSA-N 370.540 2.653 0 1 FFAF O=C(NCc1ccc2c(c1)OCO2)c1nnc(Cc2ccc(Cl)cc2)o1 4928445 GGJSNVAXRNGKLC-UHFFFAOYSA-N 371.780 2.973 0 3 FFAF c1ccc2c(c1)O[C@H](N1CCCCC1)c1cnc(N3CCOCC3)nc1-2 29207373 JFOUEGHLJMYNPH-IBGZPJMESA-N 352.438 2.857 0 1 FFAF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 118913123 NGYONPIMXAHRCT-GWHMCCAWSA-N 350.499 2.538 0 1 FFAF in-vitro CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)nc1 29038947 FMAVVMZIHYEYHB-UHFFFAOYSA-N 357.313 2.950 0 1 FFAF COc1cc(CN2C(=O)[C@@H](C)ON=C2c2ccccc2F)cc(OC)c1 61903614 GKQDSZUPHVMJPR-GFCCVEGCSA-N 358.369 2.952 0 3 FFAF COc1ccc([C@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 64446686 LROJDEYJWCCVCX-ARFHVFGLSA-N 372.471 2.673 0 1 FFAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 28703396 XCKRNHHTQIGIDH-NWDGAFQWSA-N 373.428 2.656 0 1 FFAF NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1 66136652 LWCOWPKRRXJNCW-UHFFFAOYSA-N 359.451 2.673 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@]3(C)N(C)C[C@H]2O 2356667841 SBQQYHIOVRPXMT-LRTDBIEQSA-N 371.433 2.835 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@]2(O)[C@H]31 2356669452 CABGQYFITSLGGW-IPCVCNAUSA-N 358.390 2.534 0 1 FFAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccccc1 223580707 UICKKEXHGQXSQJ-UHFFFAOYSA-N 362.433 2.945 0 1 FFAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc21 84596686 JEUOVOYTBAUKNR-UHFFFAOYSA-N 351.384 2.642 0 1 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95894017 XGOBDDATJGVWJO-IRFCIJBXSA-N 354.425 2.911 0 1 FFAF COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1 96933678 QKANEQHLFOWQRR-UHFFFAOYSA-N 360.377 2.510 0 1 FFAF Cc1c(N2CCN(Cc3ccccc3)CC2)c(=O)oc2cc(O)cc(O)c12 96914580 ODESIOJLTXIBBK-UHFFFAOYSA-N 366.417 2.835 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(F)c2)ON1C 95590277 JVLXBLDACJQBFI-ZIAGYGMSSA-N 360.322 2.992 0 1 FFAF NC(=O)c1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1 96907638 UPFVXDBZSPSGFE-UHFFFAOYSA-N 358.405 2.545 0 1 FFAF CN(C)CCn1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 299866071 VDXQBDSFSHNBCQ-CSKARUKUSA-N 363.417 2.857 0 1 FFAF COc1ccc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(O)c2)cc1OC 587927150 OEDQXHHUTBQKEB-UHFFFAOYSA-N 363.377 2.774 0 1 FFAF CCOCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587402064 WVCZLYAZGNLVGA-NRFANRHFSA-N 366.417 2.821 0 1 FFAF COC(=O)C[C@H](C)Cc1nc2ccc(I)cc2[nH]1 587787999 YQZAZGOHEAZRJF-MRVPVSSYSA-N 358.179 2.909 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)CS[C@H]1C(=O)OC 587493739 GMCLCNHNGOFCQJ-AJPKGMEUSA-N 350.436 2.973 0 1 FFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 587125731 SSTQUUNSFZLRDE-INEUFUBQSA-N 371.348 2.518 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncnc1C 587867931 RHJQVWJCVBNJDF-UHFFFAOYSA-N 363.299 2.759 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCCO4)C2 587247609 UVCZSWSSXGBCGS-FQEVSTJZSA-N 351.406 2.686 0 1 FFAF COC(=O)c1cc(OC)n(NCc2ccccc2Br)c1OC 587939988 HXHWDGKFRYWROR-UHFFFAOYSA-N 369.215 2.798 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O 587429694 QUHLUOGIWCWBAD-KKSFZXQISA-N 367.401 2.651 0 1 FFAF COC(=O)c1cnc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962719496 ZJTNAFWAPNILMK-KZULUSFZSA-N 373.453 2.855 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCc1cccnc1)c2=O 1857550716 KMUHTBXTCCTVDS-UHFFFAOYSA-N 358.829 2.869 0 1 FFAF CC(C)N1CCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)CC1 1857644370 OXYOGGMFEOPAMV-FQEVSTJZSA-N 366.513 2.692 0 1 FFAF CCOC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1[C@@H]1CCOC1=O 3904985 XHLMGXQDSRMJJK-JQFCIGGWSA-N 354.358 2.585 0 1 FFAF CC(C)CCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@H](O)CC2=O 2356420363 XFALDVRFLGVGRT-LBPRGKRZSA-N 358.390 2.796 0 1 FFAF O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 9441263 MHUFPBKYIGIMIS-UHFFFAOYSA-N 351.403 2.581 0 1 FFAF N=C(Nc1ccc2c(c1)N(CCNCCO)CCS2)c1cccs1 113972012 VXRVHTIDELZJKF-UHFFFAOYSA-N 362.524 2.680 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1cc(Br)c(OC)cc1OC 26388910 YDOSDFAGGFOMLV-NSHDSACASA-N 371.275 2.680 0 1 FFAF COc1cc2c(c(OC)c1)-c1c3c(c(OC)c4c1[C@@H](C2)NCC4)OCO3 2356494332 AQOBGOYAGNVUIN-CYBMUJFWSA-N 355.390 2.851 0 1 FFAF COc1cc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc2c1OCO2 14437444 KLAFIRXMCSKIEC-UHFFFAOYSA-N 370.313 2.935 0 1 FFAF biogenic CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]21C 14690076 UONMWBMUAZUNTE-IRKUAANASA-N 350.411 2.733 0 1 FFAF biogenic CCCCN1N=C(C(=O)c2cc(Cl)ccc2N)C[C@@H]1C(=O)OCC 40897894 UUNLDULTKAVWAY-OAHLLOKOSA-N 351.834 2.898 0 1 FFAF CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 82208356 ZVWNIQPRLLGTTM-CQSZACIVSA-N 362.474 2.704 0 1 FFAF O=C1NC(=O)C(c2cccc(NC(=O)c3ccncc3)c2)=C1c1ccccc1 45192691 PPCHJQBEOBPKIZ-UHFFFAOYSA-N 369.380 2.901 0 1 FFAF CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1C 473131336 OUUUZZUBFNSEHN-ZDUSSCGKSA-N 363.845 2.842 0 1 FFAF N=C(N)NC(=O)N1CCc2c(F)ccc(-c3ncc(Cl)cc3F)c2C1 473170655 GFSACPKWUYWPHA-UHFFFAOYSA-N 365.771 2.641 0 1 FFAF Cc1nn(CCO)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587761712 CKPJBPYBQOONDL-FVMDXXJSSA-N 368.250 2.709 0 1 FFAF COC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587041946 QJHIUZFTEIGTPE-LSDHHAIUSA-N 354.435 2.691 0 1 FFAF COc1cc(OC)cc([C@]2(CCC(=O)O)NCCc3c(C)ccnc32)c1 963073344 PSFVAUSWVMGXKU-FQEVSTJZSA-N 356.422 2.661 0 1 FFAF O[C@H](CO[C@@H]1CCN(c2ccccc2)C1)CN1CCc2ccccc2C1 1772596242 NJJSVLOISQQQMO-FCHUYYIVSA-N 352.478 2.701 0 1 FFAF CCCC[C@H](Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759717 MEUJEXCPMKJKPI-AWEZNQCLSA-N 370.482 2.993 0 1 FFAF COc1ccc2c(c1)[C@@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 201354407 GSCXQRVQPZFLRE-QVKFZJNVSA-N 360.498 2.672 0 1 FFAF Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCCO)c3)ccc12 203679465 VYDHMSUMFPZRHL-UHFFFAOYSA-N 364.430 2.816 0 1 FFAF N[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205244847 RDFCHPVWLJDNIJ-AWEZNQCLSA-N 357.421 2.619 0 1 FFAF CCN(C)C(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 1857573687 MELHMEIZUNMIPM-UHFFFAOYSA-N 358.829 2.603 0 1 FFAF CCCN(CCC)C[C@@H](NC(=O)[C@H]1Cc2ccc(O)cc2CN1)C(C)C 1857633959 WLLXDGAZVUPDPG-WOJBJXKFSA-N 361.530 2.669 0 1 FFAF Cc1c(OCc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12 604180 WBJPDBZCJJMXDF-UHFFFAOYSA-N 352.390 2.912 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 770893 HMZKVCJGKRCXJV-HKUYNNGSSA-N 370.405 2.629 0 1 FFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(Cc3cccnc3)CCN21 2356302831 DTWFNHKUCDREIB-HXUWFJFHSA-N 364.493 2.502 0 1 FFAF CN[C@H](C)[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27982893 VWRRCGJYHLOAKH-VXGBXAGGSA-N 373.428 2.608 0 1 FFAF CCOc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C 100815571 GDGRYVKBRBVFNO-UHFFFAOYSA-N 352.390 2.919 0 1 FFAF CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204815 HYHDIQKLLBSXLB-RISCZKNCSA-N 354.838 2.947 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356620140 GJDZRPOUHQJHNI-YJBOKZPZSA-N 356.401 2.706 0 1 FFAF CN(C)C1C=CN(CC(=O)c2ccc(I)cc2)C=C1 2356849849 PMNFDVJUHATUDH-UHFFFAOYSA-N 368.218 2.747 0 1 FFAF C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12 28820821 FFSHAZBWGKKFBM-MRVPVSSYSA-N 365.459 2.893 0 1 FFAF Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 74378088 VQGVUJRERCSHCA-HZPDHXFCSA-N 360.410 2.558 0 3 FFAF Nc1ccccc1[C@H](O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1 1911583950 OLCBGBWDJYWHRN-LJQANCHMSA-N 354.431 2.665 0 1 FFAF O=C(c1cccnc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 84587840 MPKIZKRLPKGJJP-UHFFFAOYSA-N 371.400 2.512 0 1 FFAF O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84618419 AWTUSQCNJGTEDT-UHFFFAOYSA-N 351.771 2.991 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)N[C@H]2CCCCNC2=O)cs1 82074817 NMGQREDCRMMHMX-ZDUSSCGKSA-N 359.451 2.607 0 1 FFAF COc1cc2c(cc1O)[C@@H]1C(=O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 238745926 FTUQYTBHWUCZQR-WMZOPIPTSA-N 353.374 2.639 0 1 FFAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@H]1O 31168594 NEOCUCNBPRDPIK-FUHWJXTLSA-N 356.374 2.879 0 1 FFAF biogenic CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)c[nH]c-2n1 587039808 VKFADWBBCKJTCL-UHFFFAOYSA-N 353.795 2.823 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 587398140 CIFJEFXLJIJFSD-QCBOUXAHSA-N 372.465 2.623 0 1 FFAF CCCOc1cc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br 587236135 SVPYFZFMYRBUDA-IUCAKERBSA-N 352.232 2.964 0 1 FFAF CCOC(=O)Cn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388781 AUPZYWGGFLESSE-MRXNPFEDSA-N 357.410 2.660 0 1 FFAF COc1cc2c3c(c1)O[C@](c1c(C)cc(C)cc1C)(C(O)O)[C@@H](C2)C3=O 587450481 MDBVYOWVACCNNQ-YCRPNKLZSA-N 354.402 2.574 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1N)[C@@H](C2)C3=O 587417082 IHZYCJFQZLYOOA-MGPLVRAMSA-N 361.195 2.924 0 1 FFAF COC[C@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(F)cc1 1772613765 SGSLEIJBJQLIAQ-AWEZNQCLSA-N 359.361 2.615 0 1 FFAF O=C(CSc1nccc(-c2ccccn2)n1)Nc1ccccc1C(=O)O 6829300 FUUOHACYBOQPAI-UHFFFAOYSA-N 366.402 2.968 0 1 FFAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@H]32)n1 116824800 GATCPBZBYFRAAH-IUODEOHRSA-N 373.254 2.508 0 1 FFAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(NC=O)cc1 29469211 IYWPESWUDPCLAM-UHFFFAOYSA-N 364.331 2.528 0 1 FFAF COc1cc2c(cc1OC)[C]1C(C)=c3ccc(OC)c(OC)c3=CN1C=C2 2356861018 CDLBKISLRWBBRN-UHFFFAOYSA-N 364.421 2.510 0 1 FFAF Cc1c(N2CCC[C@@H](CO)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27550277 QYVUNZXAOSMGRK-CYBMUJFWSA-N 356.422 2.552 0 1 FFAF O=C(C1CC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72141451 URKNFCYMXRPUKM-GOSISDBHSA-N 356.857 2.774 0 1 FFAF Cc1csc2c(N3CCN[C@@H](C(=O)Nc4ccc(F)cc4)C3)ncnc12 72156807 QJTLAUSNKCYMEL-CQSZACIVSA-N 371.441 2.556 0 1 FFAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54[C@@H]2[C@@H]1CC[C@@]34CO 95919475 JVMURKFZCMQLKJ-NBTMLFLGSA-N 357.494 2.917 0 1 FFAF biogenic,in-vitro COc1cc(/C=C\C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 238742771 BXXJRMFWRQTPAC-FORHNMCWSA-N 361.438 2.894 0 1 FFAF O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2ccccc2)nc1 261081147 BSGWFOFEHLPOEK-UHFFFAOYSA-N 371.393 2.842 0 1 FFAF Cc1occc1C(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 299842340 MIKYOANLGJHLDP-PXNSSMCTSA-N 356.422 2.964 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(N)(=O)=O)c1)CC2=O 587487980 OUQJUANBHOHHMJ-QGZVFWFLSA-N 361.419 2.699 0 1 FFAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431928 RUEYZFPNHIJGCL-QKKBWIMNSA-N 363.369 2.914 0 1 FFAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448057 BHMNEVDORFZYNO-RCDCFZSISA-N 360.406 2.704 0 1 FFAF NS(=O)(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142648 JFYXXWIVQMXQRO-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF CC(C)(C)OC(=O)NCC[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963240890 ZTJVUTVCUXJUHD-DLBZAZTESA-N 371.437 2.790 0 1 FFAF CS(=O)(=O)[C@H]1CCC[C@@]12c1ccsc1CCN2Cc1cccnc1 962999627 YSZDYBZGADMQFO-ZWKOTPCHSA-N 362.520 2.994 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=CN(CCOC)[C@H](C)C2=O)N1 962958536 UPUNMGSCNNMHLV-VTJXTGGHSA-N 353.466 2.721 0 1 FFAF CN1C(=O)[C@@]2(CC3(CC=CC3)c3ccc(Br)cc32)NC1=S 1772604847 YYKNMQRCGFGZQB-INIZCTEOSA-N 363.280 2.982 0 1 FFAF NC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 13526560 DICHVUOTONTMRI-UHFFFAOYSA-N 359.514 2.639 0 1 FFAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(O)cc1 13601670 YUNMDDZUUKCCKX-HXUWFJFHSA-N 371.396 2.938 0 1 FFAF COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2OC)c1 641414 TXTXJOIVIHSFBO-GOSISDBHSA-N 367.405 2.970 0 1 FFAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4050143 YZGQSIRIZMSKEX-SFNKJDCFSA-N 354.406 2.791 0 1 FFAF COc1ccc(NC(=O)CN2C(=O)CS[C@@H]2c2ccccc2)c(OC)c1 28385894 AQGZTDSKEXDQMU-LJQANCHMSA-N 372.446 2.917 0 1 FFAF Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21 20388237 JUFFVFYIQOJCFR-OAHLLOKOSA-N 370.840 2.998 0 1 FFAF CS[C@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 26028722 CCFVWIDQXCAODS-MRVPVSSYSA-N 368.807 2.695 0 1 FFAF COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1 28883965 RWVDFDWHHRWZQF-UHFFFAOYSA-N 358.463 2.991 0 1 FFAF FC(F)(F)c1ccc(O[C@@H]2COCCN(Cc3cccnc3)C2)nc1 2356302446 VRFZREAHCSVCRN-HNNXBMFYSA-N 353.344 2.775 0 1 FFAF O=C(Nc1cccnc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 35791852 RCAFZHFLIBYWGO-UHFFFAOYSA-N 366.450 2.954 0 1 FFAF in-vitro C[C@]1(C(=O)NCc2ccccc2)CCC(=O)N1CCOc1ccccc1 72134792 VZMYFLFAMGUIDL-OAQYLSRUSA-N 352.434 2.763 0 3 FFAF CNC[C@@H](Cc1cc(Br)c(OC)c(Br)c1)OC 13450555 SEBDGFAFHGCJNV-SECBINFHSA-N 367.081 2.997 0 1 FFAF biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82081066 ZCESRRQRZCZIAA-ZDUSSCGKSA-N 356.403 2.917 0 1 FFAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@@H](C(C)C)N2 82224188 QWEFSPIZDJELFC-HNNXBMFYSA-N 360.433 2.621 0 1 FFAF CCNC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1 141376425 GJOQJQBXQRCEIR-UHFFFAOYSA-N 356.357 2.908 0 1 FFAF Cc1cc(OCCN2CCOCC2=O)nn1-c1ccc2ccccc2c1 95557664 RBPCBGOSIHOEDS-UHFFFAOYSA-N 351.406 2.572 0 1 FFAF COc1ccccc1-c1ccc2c(c1)[C@@]1(CC(C)(C)O2)N=C(N)N(C)C1=O 95605070 QWZYNEXSMYMWHV-OAQYLSRUSA-N 365.433 2.905 0 1 FFAF CN(C)[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140160718 VMAQNBRTXIKONU-SFHVURJKSA-N 374.492 2.769 0 1 FFAF C[C@]1(O)CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O 238742702 GXVJLBUSARFIRR-BHPSNQOYSA-N 360.406 2.901 0 1 FFAF O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 95913862 AWLJZFUREZNLGG-RKOYFGKDSA-N 370.357 2.538 0 1 FFAF biogenic,in-vitro CC(=O)OCC[S@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 253640596 ZUHFHBFMBYNBLT-YGJVYZRNSA-N 357.903 2.687 0 1 FFAF COc1cc(C(=O)OCCCn2nnc3ccccc32)cc(OC)c1OC 653748798 HWEOXMQGSMWLQS-UHFFFAOYSA-N 371.393 2.704 0 1 FFAF COc1cc(-c2cn(C)c(=O)c3ccncc23)cc(OC)c1CN(C)C 653899403 UPTRHHQDRFTXBF-UHFFFAOYSA-N 353.422 2.679 0 1 FFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587013218 KAWXFKKEONKZKO-UHFFFAOYSA-N 350.469 2.845 0 1 FFAF COc1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587126591 DCZGJIQUSTZZHA-UHFFFAOYSA-N 357.313 2.927 0 1 FFAF CC(=O)N(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O 587740903 LLNVSGPAMMXZMZ-JDNHERCYSA-N 371.250 2.733 0 1 FFAF COC(=O)[C@H]1c2ccccc2C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444798 VCGHDJNHQPIEDR-FPDPHYFHSA-N 350.370 2.694 0 1 FFAF COCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593911 FWOVEGYFAAJZIL-FXAWDEMLSA-N 372.373 2.692 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090643 UORZESAVQODQBI-JTQLQIEISA-N 359.732 2.737 0 1 FFAF COc1ccoc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638790 NPDVTNMRJREQQJ-TVQRCGJNSA-N 357.284 2.875 0 1 FFAF C[C@@H]1C(=O)N(C(=O)n2cccc2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13471500 PZMYRUIGZUTRIX-BHYGNILZSA-N 367.405 2.714 0 1 FFAF CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCN2CCCO2)C1 13594172 QDMRGDLXAVGECI-HNNXBMFYSA-N 362.495 2.857 0 3 FFAF Cc1cccc(Cc2cc(=O)n3c(c2N(C)C)SC[C@H]3C(=O)O)c1C 1857761405 ROYOKFGWFIQXTM-HNNXBMFYSA-N 358.463 2.853 0 1 FFAF CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 6424685 LPVMGHAIQBNBCR-SJLPKXTDSA-N 368.389 2.868 0 1 FFAF CCCN1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224207 DUNOZWJTXYEGAT-KVSKMBFKSA-N 361.873 2.889 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4C)C[C@H]3C2)n1 116825644 LVLRJZJKZYIJOH-HDICACEKSA-N 350.466 2.919 0 1 FFAF Cc1noc([C@H](C)NC(=O)NC2(c3ccccc3)CCOCC2)c1C(=O)O 2356511088 XFEHQOWZILLNPX-ZDUSSCGKSA-N 373.409 2.747 0 1 FFAF CCC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72184860 RCDJRQZLAUVVTM-GOSISDBHSA-N 362.836 2.913 0 1 FFAF C[C@H]1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139688729 CTRFYPHTLDFEAF-LBPRGKRZSA-N 355.413 2.894 0 1 FFAF CN(C)C(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459670 QXCKXOXHXGSZPJ-INIZCTEOSA-N 360.797 2.537 0 1 FFAF O=C(NC[C@H]1CCOc2ccccc2C1)c1cc(O)n(-c2ccccc2)n1 618020168 BAIPAOOENUFDCQ-HNNXBMFYSA-N 363.417 2.949 0 1 FFAF CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 621435216 LUSKQLSWTWCLES-XYVMCAHJSA-N 366.527 2.993 0 1 FFAF NC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587576104 FWQFLXWMMNROSL-WCKOCXJASA-N 353.374 2.768 0 1 FFAF Nc1ncnc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586977508 WUJZZDLZUIKELC-UHFFFAOYSA-N 354.595 2.930 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O 587443077 KRODIKPUSCLRLZ-PGRDOPGGSA-N 364.445 2.936 0 1 FFAF Nc1ncnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116597 ITCMEBODEANMOQ-UHFFFAOYSA-N 371.754 2.924 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3cc(Br)cnc3F)nc12 587177823 BCVNHACRNGRHEJ-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(-c2cnn(C)c2)nc1 963607673 JWQQWDXARAILFQ-CWTRNNRKSA-N 365.437 2.518 0 1 FFAF NS(=O)(=O)c1ccc(-c2ccc([C@@H]3NCCc4ccc(O)cc43)o2)cc1 963330338 WYZLMNNBNCDVNN-LJQANCHMSA-N 370.430 2.535 0 1 FFAF COc1cc2c(cc1OC)[C@](CS(C)(=O)=O)(C(C)(C)C)N(C)[C@@H](C)C2 962636083 VTRNHNPTRHYYGF-ORAYPTAESA-N 369.527 2.866 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@H]3COc4ccccc4C3)ncc12 1772648078 GAZFCAHUKYHXCT-GFCCVEGCSA-N 352.398 2.515 0 1 FFAF N[C@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1 13588774 CCVLFWJUTCIGQQ-INIZCTEOSA-N 372.428 2.850 0 1 FFAF CCOC(=O)C1=C(C)c2ccccc2N(C(=O)OC)[C@]1(C)C(=O)OCC 13814104 RQSALVQSWLKZPN-IBGZPJMESA-N 361.394 2.931 0 3 FFAF NC(=O)c1ccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c2c1 15937205 ZBPPGJYOWRLDBX-UHFFFAOYSA-N 364.188 2.889 0 3 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@H](C2)N(CC2CC2)CC[C@@]341 169373085 YERVYLQWQFZZOC-CSCUFKDGSA-N 351.446 2.569 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@@H](c2cccnc2)[C@H]1C(=O)c1ccco1 169687213 ZOEUBFKJBHQMPQ-ROUUACIJSA-N 360.369 2.826 0 1 FFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 169710815 IGNRSKILPOQMNY-PHIMTYICSA-N 369.409 2.992 0 1 FFAF COc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C 201446786 QWZRDUVHMMGWFQ-UHFFFAOYSA-N 374.404 2.898 0 1 FFAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 20599379 PAPJMRCXQLSVQT-MRXNPFEDSA-N 358.461 2.781 0 1 FFAF CCCCN1CCN(c2nc(C)c(C(=O)NCc3cccnc3)s2)C1=O 103236142 WXYKOSAXCPQDGN-UHFFFAOYSA-N 373.482 2.819 0 1 FFAF O[C@H]1[C@H](N2CCN(C3CCCCC3)CC2)c2ccccc2C12CCNCC2 23581165 VRNJCPCMPFWYEN-YADHBBJMSA-N 369.553 2.674 0 1 FFAF CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NC2CCCCC2)nn1 2356299403 CDNDWABHZYHQQP-NSISKUIASA-N 373.545 2.780 0 1 FFAF CC[C@H](CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 61925714 BBSXOGXVZJOBKU-CYBMUJFWSA-N 372.425 2.605 0 3 FFAF CNC(=O)Nc1c(OCCCN(C)C)c(OC)c2occc2c1OC 29406643 GOFGGKDGGPVRFA-UHFFFAOYSA-N 351.403 2.532 0 1 FFAF CN(C)C(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 26576539 OJXQDLCISWYLFL-UHFFFAOYSA-N 355.825 2.612 0 1 FFAF CC=C1CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@@H]3[C@H]2C[C@H]1[C@@H]4C(=O)OC 2356616592 YNZQTHCMRFWODK-ZHXYCXGVSA-N 368.477 2.595 0 1 FFAF CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCN3CCOCC3)C2)cc1 36384016 YXEFZQZQPSGTSQ-FQEVSTJZSA-N 359.514 2.935 0 3 FFAF CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1 8295684 ALEVAXRILFBBLO-ROUUACIJSA-N 365.562 2.899 0 1 FFAF biogenic COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1OC 14436888 KDLBPPXQNXUTGJ-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CCOC(=O)Cc1ccccc1OC(=O)Cc1ccc(OC)c(OC)c1 45498057 YZCAJVSVTJMTKT-UHFFFAOYSA-N 358.390 2.958 0 1 FFAF CN(c1cc(C(=O)Nc2ccc3[nH]nnc3c2)ncn1)C1CCCCC1 49032635 MRASVPNQLWOOMB-UHFFFAOYSA-N 351.414 2.769 0 1 FFAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25429216 ZPFALMVSMKETRX-UYAOXDASSA-N 371.525 2.777 0 1 FFAF biogenic CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccccc1C)C(C)=O 473160509 YEWJDPZUIGPDFQ-UHFFFAOYSA-N 363.417 2.632 0 1 FFAF C[C@]1(c2cccc(O)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(O)c1 299829021 JSZCJTFFFLFQBJ-WKWVNEEDSA-N 355.390 2.599 0 1 FFAF CC(=O)O[C@@H](C[C@H](O)/C=C/c1ccccc1)C[C@@H](O)C/C=C1/C=CC(=O)O1 653739160 KWYYIUDELUWEKS-BUFRTDTQSA-N 372.417 2.521 0 1 FFAF CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427735 FRVJSJLDWZIBDF-IOUPMSCVSA-N 373.449 2.846 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 587142474 BNPQLWFBGRJNHF-UHFFFAOYSA-N 351.428 2.908 0 1 FFAF COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1C 586953600 WDGYPTUKWPBNBE-UHFFFAOYSA-N 351.472 2.878 0 1 FFAF COCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794761 PYXWHNMWCXVSDL-QLJPJBMISA-N 374.250 2.917 0 1 FFAF COC(=O)COc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439568 LIHHMIFGHYAFKH-QVKFZJNVSA-N 368.385 2.910 0 1 FFAF COc1cc(CC(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401831 YRPRBGWSRHVKSK-MRXNPFEDSA-N 371.389 2.928 0 1 FFAF COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587259009 VTUJYCIPHSOFAO-LURJTMIESA-N 352.263 2.565 0 1 FFAF N=c1nc(O)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c[nH]1 587253620 MPNXDFUFFCLYLC-UHFFFAOYSA-N 374.120 2.919 0 1 FFAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 586906906 HFEXZUMWIGKZQN-HNNXBMFYSA-N 365.433 2.976 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC(=O)NC[C@@H]3C2)N1 587797432 SJVCPBSKNITUHH-OFVQYIOZSA-N 367.262 2.864 0 1 FFAF CCCNC(=O)N1[C@H](CO)C(c2ccc(-c3cccc(F)c3)cc2)[C@H]1CO 1772574275 YQBKBHDIUCCPSV-RTBURBONSA-N 372.440 2.733 0 1 FFAF COc1ccccc1-c1cc(Nc2ccc(P(=O)(O)O)cc2)ncn1 169346836 QIQFLIODWFABIX-UHFFFAOYSA-N 357.306 2.699 0 1 FFAF CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1cccnc1 1857568805 IHNWJUYJLLCRSJ-IBGZPJMESA-N 362.433 2.701 0 1 FFAF Cc1cc(C)cc(N=c2cc(NC3CCCC3)c3ncc(C(N)=O)n3[nH]2)c1 1857654751 ZDAXJLCNXRTDNQ-UHFFFAOYSA-N 364.453 2.965 0 1 FFAF O=c1nc(C(F)(F)F)ccn1C[C@H]1C[N@]1Cc1cnc2ccccc2c1 1857742851 OCIXRDJANHBWSZ-SXBQZSJRSA-N 360.339 2.695 0 1 FFAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NC[C@@H](O)c1ccccc1 771742 FTZPDSDPPAJADB-DYESRHJHSA-N 368.433 2.676 0 1 FFAF CC(C)[C@@]12CC[C@]3(O1)[C@@](O)(CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C)[C@@H]2O 2356332375 FUMZEAQEADDMAG-GXVCDPRBSA-N 352.471 2.727 0 1 FFAF COc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1 8672394 QUQMMEANSITCRX-UHFFFAOYSA-N 350.396 2.812 0 3 FFAF COc1ccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)cc1 8829360 LYNQGMKEMAPWOT-UHFFFAOYSA-N 350.396 2.812 0 3 FFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNCC1CC1 2356287117 CLKDDOJGSFAXNU-NSHGMRRFSA-N 360.429 2.931 0 1 FFAF COc1cc(S(=O)(=O)Oc2ccc3[nH]ccc3c2)cc(OC)c1OC 27979199 FXBDPPSSBRRFLS-UHFFFAOYSA-N 363.391 2.961 0 1 FFAF CCc1cc(Nc2nc3ncn(CCCCCO)c3c(=O)[nH]2)ccc1C 28354692 CYRAVHRZUZUKHJ-UHFFFAOYSA-N 355.442 2.897 0 1 FFAF Cn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\C1CCCCC1 28372377 RQDOCFUCSDZXNR-MSUUIHNZSA-N 351.497 2.786 0 1 FFAF O=C(c1ccccn1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 61969200 UQBUXXIHBYSWHP-IBGZPJMESA-N 350.466 2.508 0 3 FFAF N[C@H]1CN(C(=O)Nc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 28636775 GXDGJTKUNILPNS-WBMJQRKESA-N 363.339 2.979 0 1 FFAF COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@@H]32 14952868 HJAHCQDLTFWFQN-MBPVOVBZSA-N 356.466 2.939 0 1 FFAF biogenic COc1ccc2c(c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)CN1C 14931244 HJDHOTUYSIOWTP-ZIAGYGMSSA-N 355.390 2.676 0 1 FFAF biogenic COc1cc([C@H](Cc2ccc(Br)cc2)NC(C)=O)oc(=O)c1 1911580958 VHFYTYUGIJAJSK-AWEZNQCLSA-N 366.211 2.831 0 1 FFAF NC(=O)C1CCN(c2nc(-c3ccc(N4CCCCC4)nc3)cs2)CC1 36380805 YTEGESYHLFRLMS-UHFFFAOYSA-N 371.510 2.897 0 1 FFAF O=C(CN1CCCC1)N1CCc2c([nH]c3ccccc23)[C@H]1CN1CCCC1 45353929 AHICVIPDNRBCSE-HXUWFJFHSA-N 366.509 2.785 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)co2)cc1 82070301 XLAJDJBWNCRLSM-QGZVFWFLSA-N 373.453 2.509 0 1 FFAF O=c1ccn(CCCCCCOc2ccc(Br)cc2)c(=O)[nH]1 96906983 SLDKYAHBDREBNF-UHFFFAOYSA-N 367.243 2.939 0 1 FFAF CN(C)C(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587196826 CQTXJUZFHRKSKW-UHFFFAOYSA-N 350.138 2.975 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1nc(O)[nH]c1C(=O)OCC)CC2=O 587482540 JGGVLNCWYPOWLV-ZDUSSCGKSA-N 360.366 2.657 0 1 FFAF COC(=O)CN1C=C[C@]2(NCCc3c(C)ccnc32)c2cc(Cl)ccc21 963073613 WMWYVWSVGBAUGZ-FQEVSTJZSA-N 369.852 2.939 0 1 FFAF CC1(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CC1 148406973 ZHXPVTOJVBGVPQ-HNNXBMFYSA-N 372.490 2.970 0 1 FFAF CN1CCN(c2ccc3[nH]c(-c4ccc(OCCCN)cc4)nc3c2)CC1 1772579833 OBJNQWJCGSHKER-UHFFFAOYSA-N 365.481 2.709 0 1 FFAF CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21 13745303 HWYBGTRXMBUJAW-UHFFFAOYSA-N 368.372 2.940 0 1 FFAF C[C@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 17188125 BQTZQFAWZXWIHI-PYYSJVIDSA-N 357.450 2.959 0 1 FFAF CN1C(C(=O)Nc2ccccc2)=C(O)c2cc(Cl)ccc2S1(=O)=O 28111388 QJKMOSCHDZGADT-UHFFFAOYSA-N 364.810 2.839 0 1 FFAF CS(=O)(=O)c1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114336746 XKFGCNGELSXIMD-QGZVFWFLSA-N 370.478 2.653 0 1 FFAF O[C@@H]1[C@@H](CF)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 27879266 KMZHIEXZPXLLJK-DBIOUOCHSA-N 355.580 2.585 0 1 FFAF O=C1NCCN1CCNc1nc(NCc2ccccc2)nc2ccsc12 61927183 UIAPVRPOIKHDSP-UHFFFAOYSA-N 368.466 2.741 0 3 FFAF COc1ccc(Cc2n[nH]c(-c3ncc4cccnc4c3O)n2)cc1OC 34505703 RIIRQZDHOJXXCR-UHFFFAOYSA-N 363.377 2.729 0 1 FFAF COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 73138490 DRPZFPFMLAERPC-BEFAXECRSA-N 367.405 2.724 0 1 FFAF COc1cc(CCC(=O)C[C@@H](O)CCc2cccnc2)cc(OC)c1OC 71341063 PWAHMHKJNJPKQE-KRWDZBQOSA-N 373.449 2.993 0 1 FFAF CNc1cc(-c2[nH]c(SC[C@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40861551 YBUVIQHAACPGDR-CQSZACIVSA-N 374.441 2.765 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@]2(C)CO)ccc1O 238758091 ABQRSIJJVGOZCP-SFTDATJTSA-N 374.433 2.718 0 1 FFAF CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 250687231 HHSFJHANGGIQHQ-HAXDFEGKSA-N 356.466 2.752 0 1 FFAF Nc1ncc(Cl)nc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587087359 PJPHJPQSWVQVBF-UHFFFAOYSA-N 350.091 2.669 0 1 FFAF CCOCCCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 587434957 CPIVRENDBZNWMV-OXTHUFEASA-N 359.466 2.950 0 1 FFAF COC(=O)CC[C@]1(c2ccc(OC)cc2)c2ccsc2CCN1C(N)=O 962703411 CQGBGWFJLVPVTQ-IBGZPJMESA-N 374.462 2.890 0 1 FFAF COc1cc(N)c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(OC)c1 963038552 ZFSMATRZWRPRMQ-LAJNKCICSA-N 367.449 2.603 0 1 FFAF NCCCCNCC1CCN(C(=O)Cc2cccc3ccccc23)CC1 13836737 OCUSPFVQOADFBC-UHFFFAOYSA-N 353.510 2.949 0 1 FFAF COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3cc4ccoc4cc3O[C@@H]1CO2 14450979 SXKFYDWIBCRCRI-QUCCMNQESA-N 368.341 2.674 0 1 FFAF endogenous,in-man CCOCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167329191 SWCJFRBKSGWGDL-UHFFFAOYSA-N 355.438 2.605 0 1 FFAF CC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1ncon1 207732344 PXXCQCUITSJURF-UHFFFAOYSA-N 370.331 2.937 0 1 FFAF CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@H]1C2 2356323891 FWPNUKOTCRYVIK-UVBJJODRSA-N 353.422 2.554 0 1 FFAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206685 BVZMKUZMOXRNKX-DZGCQCFKSA-N 350.827 2.602 0 1 FFAF COc1ccccc1-c1cc(Nc2cccc(S(N)(=O)=O)c2)ncn1 102295940 OEEGAHQEITTZMT-UHFFFAOYSA-N 356.407 2.543 0 1 FFAF C[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26007025 ZSZFKFQQLNXTMB-ROUUACIJSA-N 361.804 2.866 0 1 FFAF O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 28007409 IQRVVSJZXLQUGR-PBHICJAKSA-N 364.873 2.821 0 1 FFAF CC(=O)c1ccc(OCc2nnn(CC(=O)O)c2-c2ccccc2)cc1 61904674 BRNARARESMTONR-UHFFFAOYSA-N 351.362 2.811 0 3 FFAF COc1c(O)c2c(c(OC)c1OC)O[C@H](c1ccccc1)[C@@H](OC)C2=O 2356605824 SNDDQHPBNHSNNS-ZBFHGGJFSA-N 360.362 2.749 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1C=c3cc(OC)c(OC)cc3=C(C)N1C=C2 2356836983 LFUIJTVMFIHGSB-SFHVURJKSA-N 365.429 2.671 0 1 FFAF COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@@]3(C)O2)ccc1-c1cnco1 29126839 YAEJSSQGTYFDJH-NFQUHZNNSA-N 368.389 2.797 0 1 FFAF COc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2)cc1OC 61906281 OANBTUBNZWMEMC-OAQYLSRUSA-N 368.433 2.876 0 3 FFAF N#CNc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1 73222465 CJWTUWNDVDDMEU-UHFFFAOYSA-N 365.422 2.507 0 1 FFAF COc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CCO2 217963647 MGZRVQYOZMPOSS-UHFFFAOYSA-N 362.813 2.689 0 1 FFAF CC(C)c1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82231653 RACKCSHLIJYJHJ-UHFFFAOYSA-N 367.428 2.907 0 1 FFAF Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(OCCN(C)C)ccc23)n[nH]1 40404203 KGSNARVAVMIJIU-UHFFFAOYSA-N 370.457 2.693 0 1 FFAF O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(C(F)(F)F)cn1 149976742 FYMXDLNBFVTLCY-CYBMUJFWSA-N 370.306 2.548 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 95565797 UUHRDARWBGSDJU-ZDUSSCGKSA-N 363.385 2.651 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(O)O)N1 587850130 XILPCYHTQYHBAB-ANRSDYALSA-N 372.259 2.738 0 1 FFAF COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651311 QILVDYWQEQIMSP-MRXNPFEDSA-N 373.390 2.614 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@H]2CCO)N1 587763431 ZANMLVVHALFVOT-CJBNDPTMSA-N 371.294 2.652 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1S(C)(=O)=O)[C@@H](C2)C3=O 587429497 VIFUIGPDXYVDKB-SCLBCKFNSA-N 362.378 2.727 0 1 FFAF NS(=O)(=O)c1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1 1772609722 DIDHBTZRTBRKQW-UHFFFAOYSA-N 356.432 2.772 0 1 FFAF N=C(N)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)O)CC3)cn2)cc1 13739734 CZTOMIFGFRMSRW-HXUWFJFHSA-N 351.406 2.806 0 1 FFAF O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166763330 FABDRVBUXYQKIC-KRWDZBQOSA-N 366.421 2.538 0 1 FFAF CCOc1ccc([C@H]2c3c(N)nc(SC)nc3N=C3COC(=O)[C@@H]32)cc1 1857613299 FMSAEQPDVWDQSW-OLZOCXBDSA-N 370.434 2.570 0 1 FFAF CO[C@@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857758000 FPDPQXHQERKGIO-IFXJQAMLSA-N 374.387 2.681 0 1 FFAF O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 59587893 UIPQDOWYNRWNGN-TUCQFJRYSA-N 368.341 2.746 0 1 FFAF biogenic,in-vitro NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100087468 SCWAGSOCDPVIRW-UHFFFAOYSA-N 350.403 2.808 0 1 FFAF N=C(N)c1ccc(-c2cn3c(n2)CC[C@@H](c2ccc(C(=N)N)cc2)C3)cc1 29124328 IPKPWAVSORLPCX-QGZVFWFLSA-N 358.449 2.848 0 1 FFAF O=C(Nc1cccnc1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 21931235 HHSDLTCZANNDPW-UHFFFAOYSA-N 372.381 2.669 0 1 FFAF COC(=O)[C@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4o3)c2)C1 27325971 ODKUUUCBOLASIW-ZDUSSCGKSA-N 366.373 2.933 0 1 FFAF Cc1ccc(Cn2c(=O)n(C)c3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29391664 LZROVXQEVJOFLD-UHFFFAOYSA-N 365.359 2.572 0 1 FFAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccc(F)c1)C(C)C 66101625 IJIURDLBFBHQSM-WBVHZDCISA-N 366.433 2.803 0 1 FFAF Cc1c[nH]nc1-c1nccc2c(OC(C)C)cc(N3CCOCC3)nc12 1911586111 SLHNTHKBIFULEK-UHFFFAOYSA-N 353.426 2.952 0 1 FFAF O=C1C[C@H](O)Cc2c1c(O)cc(-c1ccccc1)c2-c1cc(O)cc(=O)o1 14884353 LKSLATAQAAIOTG-GFCCVEGCSA-N 364.353 2.875 0 1 FFAF biogenic COc1ccc(C2=NCCN2)cc1-c1cc2ccc(C3=NCCN3)cc2o1 40393991 XAMKJNXXFVSQQM-UHFFFAOYSA-N 360.417 2.808 0 1 FFAF COc1cc(/C=C\C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 238789145 BXXJRMFWRQTPAC-XOBXVXSKSA-N 361.438 2.894 0 1 FFAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)c(F)c2)s1)C(=O)O 144314378 RKCUDMPDZXZHNG-QMMMGPOBSA-N 350.371 2.654 0 1 FFAF CC(C)c1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 473168856 LQWHMCJXOYWKHQ-UHFFFAOYSA-N 357.487 2.631 0 1 FFAF Cc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl 586959641 SOZLGBCMSBIJRX-INIZCTEOSA-N 365.842 2.994 0 1 FFAF COc1ncnc(N)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745392 JPNNSOXWCZPWOA-WPPNPWJKSA-N 367.222 2.593 0 1 FFAF COC(=O)C(=O)C[C@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587398297 DWRIABFNZWSIRM-NRFANRHFSA-N 367.401 2.879 0 1 FFAF Cc1nc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1Br 586925310 YUHFLHKPVBNXTJ-UHFFFAOYSA-N 358.261 2.886 0 1 FFAF CNCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772610932 OTGRVBHCKFIHGS-LLVKDONJSA-N 354.414 2.569 0 1 FFAF Cc1ccc(-c2ccc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)cc2)o1 12467917 WKKAHLLYFJCOOE-NHCUHLMSSA-N 370.493 2.647 0 1 FFAF O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1 13682601 SDSSSSJBUSUONR-UHFFFAOYSA-N 372.265 2.863 0 1 FFAF CC(C)c1cc(C(=O)N2CCC[C@](O)(c3cc4ncccc4[nH]3)C2)on1 1857539016 APJHEVLVYQBAGA-LJQANCHMSA-N 354.410 2.798 0 1 FFAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cncc(C)c4)cccn3[nH]1)C2 1857750530 LSUDCLLQEMZTFK-QGZVFWFLSA-N 373.464 2.707 0 1 FFAF N#Cc1ncc2nc1OCC=CCOc1cc(O)c(Cl)cc1NC(=O)N2 253664445 DONZNBORCKZUAE-UHFFFAOYSA-N 373.756 2.679 0 1 FFAF O=C1O[C@@H](COc2cnccn2)CN1c1ccc(C2=CCOCC2)c(F)c1 3982533 ZPJMHLSRTHQMTI-OAHLLOKOSA-N 371.368 2.824 0 1 FFAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)n1c(=O)[nH]c3cc(C(F)(F)F)ccc31)C2 100649570 KDOHMAAVWRYCES-GHMZBOCLSA-N 369.343 2.958 0 1 FFAF CNC(=O)c1ccc2c(c1)C[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117623071 CBNQMPGBOVSDLI-PXNSSMCTSA-N 374.444 2.867 0 1 FFAF COc1cc2nnc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1OC 66097443 GOYJVSKBUMHUIG-UHFFFAOYSA-N 356.357 2.937 0 1 FFAF C[C@@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccc(Cl)c(O)c2C3=O)[C@H]1O 13384399 VYZRGVNZHYVQDP-BAHMLBHCSA-N 372.760 2.783 0 1 FFAF biogenic CCCCCNC(=O)[C@@H]1N(Cc2ccccc2)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 71335041 GUVMVEYQZWDWLH-LZNRXBQRSA-N 366.461 2.728 0 1 FFAF O=C(c1ccccc1)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O 72127535 NEWMBJKXVYZMIX-UHFFFAOYSA-N 370.792 2.500 0 1 FFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CCOC1 1911586597 QEIMXUWKXDSLNV-SECBINFHSA-N 366.303 2.576 0 1 FFAF NC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21 49052208 GEGRUTUYLJXAAU-LBPRGKRZSA-N 359.426 2.913 0 1 FFAF Cc1onc(-c2ccccc2)c1C(=O)N(CC(=O)O)Cc1ccccn1 40936722 MWSNNXBNZIIIOK-UHFFFAOYSA-N 351.362 2.772 0 1 FFAF CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(N)nc1=O 84669722 RZZKGCDBXLCESO-UHFFFAOYSA-N 366.259 2.790 0 1 FFAF COc1ccc([C@@H]2OC[C@@H](Cc3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 86043666 BQRGYTVSAXRQKZ-ZOCZFRKYSA-N 372.417 2.971 0 1 FFAF biogenic Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 299850763 MZKDRWWWPCTREO-CQSZACIVSA-N 351.410 2.781 0 1 FFAF Nc1ncnc2[nH]c(-c3cc(I)ccc3Cl)nc12 587183370 XWMSZHWJTCFMLR-UHFFFAOYSA-N 371.569 2.860 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCCc1ccccc1)[C@@H](C2)C3=O 587433274 PSZGPWAJRFYWSU-JTSKRJEESA-N 365.429 2.950 0 1 FFAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431519 GMVXSFBRQFYFJO-RPLLZPRCSA-N 367.401 2.697 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NS(C)(=O)=O)cc1)O2 587407594 AUQYWIRCIWWYGY-GOSISDBHSA-N 360.435 2.829 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@H](c3nccnc3-c3cccnc3)c3cccc1c32 963038730 YATMHQWMSJPHHK-VLIAUNLRSA-N 357.417 2.681 0 1 FFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCC[C@H]2CCCO)N1 963229440 LCQLGFHPOZGVAX-ONTRVFCTSA-N 354.450 2.992 0 1 FFAF C[C@@H](O)COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772649304 CFCRNSAKJBYHMH-VXGBXAGGSA-N 355.398 2.600 0 1 FFAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCOC2)C(=O)O)cc1 13442226 AZMGEVGFKCUYDO-AEFFLSMTSA-N 369.417 2.511 0 1 FFAF CC[C@@H](C(=O)NCc1ccc(F)cc1)n1ncn2c(cc3occc32)c1=O 6807565 GIHJVWKIVVEGFB-AWEZNQCLSA-N 368.368 2.649 0 1 FFAF CCN1CCC[C@H]1CN(Cc1ccoc1)CC1CCN(CCOC)CC1 20538142 VZNQKXPKGXAFOM-NRFANRHFSA-N 363.546 2.924 0 1 FFAF COc1ccc([C@H]2c3ccc(O)cc3O[C@H]3N=C(S)N=C(N)[C@H]23)cc1 64454223 RAZRZXQECDYJLN-YQQAZPJKSA-N 355.419 2.524 0 1 FFAF COc1ccc([C@H]2Oc3c(O)cc(C=CC(=O)O)cc3[C@@H]2CO)cc1OC 2356496579 KPVRDBJJSXNPDY-IFXJQAMLSA-N 372.373 2.717 0 1 FFAF NCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72179875 KXIZEBWDSJAVFQ-LLVKDONJSA-N 367.293 2.854 0 1 FFAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1c(F)cccc1F 40938129 QYBAXIJBPSFRQS-UHFFFAOYSA-N 362.357 2.974 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)co1 82070325 GNUSQXWVSRLSOV-QGZVFWFLSA-N 373.453 2.509 0 1 FFAF COc1cc([C@H]2NC(=S)Nc3c2c(=O)oc2ccccc32)ccc1O 96931726 OZLRLQBGVFLPTD-OAHLLOKOSA-N 354.387 2.897 0 1 FFAF O=C(c1ccccc1F)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 299843705 WUHCRYRSUHYORR-JXFKEZNVSA-N 356.397 2.526 0 1 FFAF COC(=O)C(=O)C[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 587412987 KXPHWFRHNZLCOI-SFHVURJKSA-N 359.403 2.632 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 587107659 SRJWVNCWJOFOIN-GKABBXAVSA-N 370.408 2.834 0 1 FFAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587058696 ILKPGOGDCUXEOT-LBPRGKRZSA-N 351.815 2.706 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cnccn1)CC2=O 587493056 ZGOHMDGNJARXNS-IBGZPJMESA-N 356.378 2.559 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@]3(CCN(c4ccc(F)cc4)C3)c3cccc1c32 963020268 FAMFYKHPUGYTEC-LHSJRXKWSA-N 351.425 2.985 0 1 FFAF O[C@H](CO[C@@H]1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1 1772639147 LEPMATVZPMPFLC-XZOQPEGZSA-N 366.505 2.697 0 1 FFAF CC(C)n1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)cn1 12227818 PSSNLMQDDVRTEI-KRWDZBQOSA-N 372.444 2.658 0 3 FFAF CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@H](/C=C/1C)OC(=O)[C@@H]2C 13323202 OHMAVTDVTQMMMR-CIFHVKMWSA-N 350.411 2.714 0 1 FFAF in-man Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@@H]31 13660795 DJBZJHHPGHHHCA-MDASCCDHSA-N 364.449 2.938 0 1 FFAF Cc1ccccc1N1C(=O)CN(C(=O)c2scc3c2OCCO3)C[C@@H]1C 14884497 AQVQBKIAWOYIJY-ZDUSSCGKSA-N 372.446 2.705 0 1 FFAF Cc1ncc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)o1 169312025 IKHQUFGFHVBRAE-UHFFFAOYSA-N 363.439 2.800 0 1 FFAF COC(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 6818875 OXRLWFLLPFEFJR-UHFFFAOYSA-N 373.430 2.727 0 1 FFAF CC(C)(C)OC(=O)n1cc(-c2ccc(NC(=O)[C@@H]3CCCN3)cc2)nc1N 103267336 WQPNBTUHZVKISV-AWEZNQCLSA-N 371.441 2.606 0 1 FFAF COc1ccc(CNC(=O)Nc2ccc3ccc(C(=O)O)c(O)c3n2)cc1 26491306 OMFUJBKZZVPIIG-UHFFFAOYSA-N 367.361 2.969 0 1 FFAF c1c[n+](C[C@H]2C[C@@H]2C[n+]2ccc(N3CCCC3)cc2)ccc1N1CCCC1 28384360 DUARTZRJHMFURY-NHCUHLMSSA-N 364.537 2.798 0 1 FFAF Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F 36088268 KWZFUKSTRXYXTQ-UHFFFAOYSA-N 365.372 2.515 0 1 FFAF CC(=O)Nc1cccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)c1 71329629 BZADPNSXDHLYCT-UHFFFAOYSA-N 374.408 2.803 0 1 FFAF CC(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 223385707 FHFATZLSERMROD-KRWDZBQOSA-N 372.469 2.754 0 1 FFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccc(Cl)cc1)C2 95662976 NZNKLGUAWMZMPQ-WOJBJXKFSA-N 370.880 2.901 0 1 FFAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1cccc(F)c1 68576386 YYKHWKPMNOHMDU-UHFFFAOYSA-N 352.309 2.524 0 1 FFAF biogenic Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)F 587648912 CLVLSUHCISLPFC-UHFFFAOYSA-N 367.377 2.728 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577918 UUZNHRVAZRODNU-OXJNMPFZSA-N 363.373 2.780 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)C2CN(C(C)C)CC1CN(C(C)C)C2 587398444 HIQMSPJFLXTXPU-UHFFFAOYSA-N 371.525 2.962 0 1 FFAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431093 YRHJFEDDZUPFBE-XPQMWWKESA-N 359.422 2.600 0 1 FFAF O=C(O)CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354832 RVYMAWWCJDKIDN-APWZRJJASA-N 374.320 2.578 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](CN1C(=O)c3ccccc3C1=O)CC2=O 587475191 JZSJJHJCEZPSHG-LBPRGKRZSA-N 365.385 2.975 0 1 FFAF CCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1 145235499 VMVRWXBRGRRERO-UHFFFAOYSA-N 352.423 2.608 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H](O)CF)c2cn1)c1ccccc1 1772577119 RYSUXHZCXKIDIQ-DGCLKSJQSA-N 373.388 2.550 0 1 FFAF Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 11699584 MRHLIEKBXCXEGS-HNNXBMFYSA-N 357.364 2.691 0 3 FFAF CCOC[C@@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=N)c3c2Cl)O1 169345490 MFQNIUYTVMQUCN-SECBINFHSA-N 366.801 2.654 0 1 FFAF O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]1SCCc1ccccc1 169693707 DKFPIBKZZCJRNM-IBGZPJMESA-N 369.442 2.671 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050140 VBZYEFVRXATRLA-SFHVURJKSA-N 373.416 2.960 0 3 FFAF O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(O)c2)CC1 1857593525 HUVHDZUSRCGPMV-UHFFFAOYSA-N 367.401 2.899 0 1 FFAF O=P(O)(O)C(N(C1CCCCC1)C1CCCCC1)P(=O)(O)O 5840430 CPSYRTULPWRBLU-UHFFFAOYSA-N 355.308 2.593 0 1 FFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)CC[C@]1(C)O 2356310702 DDUYMNONWMLEII-VSKRKVRLSA-N 368.477 2.516 0 1 FFAF CCNC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 2356318138 UPNHCADKTLAMAH-AEFFLSMTSA-N 365.433 2.785 0 1 FFAF COc1cc2c(cc1OC)[C@@H](C(=O)NCCC(C)C)[C@H]1CCCCN1C2=O 4563921 RQPAWEAIIHOEIK-VQIMIIECSA-N 374.481 2.958 0 3 FFAF C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccccc1Cl 26004738 ABSJHJJNVMBAHU-MSOLQXFVSA-N 361.804 2.866 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 27768674 LDVMINOGJBBSNA-NUYZYZAMSA-N 365.473 2.960 0 1 FFAF Cc1nc2n(c1C(=O)Nc1c(Cl)cccc1Cl)CCS2(=O)=O 103194178 KOPAKADJMIIEQG-UHFFFAOYSA-N 360.222 2.538 0 1 FFAF CCN1C(N(C)CCOC)=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C1C 72135993 SUELGRGYHFUSGX-QGZVFWFLSA-N 363.433 2.584 0 1 FFAF Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(N)nc3n2)cs1 28820836 NJGJIFFXQVCHPF-ZCFIWIBFSA-N 368.513 2.518 0 1 FFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2ccccn2)cc1 2356496650 NBVAFUOZNJHTKT-GFCCVEGCSA-N 353.378 2.729 0 1 FFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356683793 DKVDXRLJBXRNDO-BQJUDKOJSA-N 369.509 2.680 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 2356831844 JSDWWNLTJCCSAV-VKESLTNKSA-N 372.502 2.993 0 1 FFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@@H]1CO 38794675 HRTOUPQLDWWXIX-KGLIPLIRSA-N 367.401 2.651 0 1 FFAF investigational Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 71928001 UBKFBQJOSCPGTD-CQSZACIVSA-N 371.466 2.581 0 1 FFAF CCN(CC)c1nc(N)c(C(=O)c2cc(OC)c(OC)c(OC)c2)s1 73170180 QZTIIIPHBDSHGC-UHFFFAOYSA-N 365.455 2.828 0 1 FFAF O=C1NCCc2[nH]c(-c3cccc4ccc(N[C@@H]5CCCNC5)nc34)cc21 223408257 FXKAJMTVSSOIMV-CQSZACIVSA-N 361.449 2.680 0 1 FFAF Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc(F)c2n1 223347021 VGQGGSXEFWCYFA-UHFFFAOYSA-N 371.391 2.583 0 1 FFAF COc1cc2c(cc1O)CCCN1CCC3=C[C@@H](OC(C)=O)[C@H](OC)C[C@]321 238731253 FFMDTHAKJBYVEN-NJYVYQBISA-N 373.449 2.525 0 1 FFAF O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OS(=O)(=O)CC2 96914372 LDFICSNAQJIMKU-UHFFFAOYSA-N 352.795 2.753 0 1 FFAF O=C1Nc2ccccc2-c2nnnn2[C@H]1N1CCC(Cc2ccccc2)CC1 95568559 JLZAHUHNPQWIIH-OAQYLSRUSA-N 374.448 2.746 0 1 FFAF Cc1cc(Cl)ccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1 95588973 AMZDDWKLCOVDJX-UHFFFAOYSA-N 354.819 2.908 0 1 FFAF N=c1nc(O)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2[nH]1 587065338 XXXGWQWBGUOULO-UHFFFAOYSA-N 357.757 2.963 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(N(C)C)CC2)N1 587765021 BDQZAMVLSQDMQP-NSHDSACASA-N 356.283 2.890 0 1 FFAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C 587761283 OZPMQYJNCLJULW-JDNHERCYSA-N 353.235 2.736 0 1 FFAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)nc(O)nc2[nH]1 587044923 WQYPYVZLMYZZDL-UHFFFAOYSA-N 357.153 2.755 0 1 FFAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1cnccn1)[C@@H](C2)C3=O 587429576 PWXNWTQFVDYMPN-QWVIHJRDSA-N 351.406 2.594 0 1 FFAF COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O 587420496 IGRBDAADNFWFFF-LIRRHRJNSA-N 373.792 2.950 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ncco2)(c2c(F)cccc2F)N1 962903182 WBSGGFVUQRKBGD-IFXJQAMLSA-N 374.318 2.983 0 1 FFAF Cc1cccc(Cc2nnc(CCC(=O)NCc3ccncc3C)o2)c1 11872910 ICXDGERXHYIBEN-UHFFFAOYSA-N 350.422 2.921 0 3 FFAF O=C1Oc2ccccc2[C@H](O)[C@@H]1Sc1c(O)oc2ccccc2c1=O 13604219 FARGPRAWHNFEMH-ZFWWWQNUSA-N 356.355 2.612 0 1 FFAF COc1ccc2c(c1OC)C(=O)O[C@@]21C=Cc2cc3c(cc2C1=O)OCO3 901001 JEHSMJTYFMMHKE-FQEVSTJZSA-N 366.325 2.708 0 1 FFAF biogenic CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cc(Cl)ccc2C(C)=O)S1 2463967 DEFMYEGVVGFNOC-HNNXBMFYSA-N 353.831 2.718 0 1 FFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Oc1ccc2ccccc2c1 4954769 BTZIDJQRUXBZIL-JSJNYSNDSA-N 361.397 2.942 0 1 FFAF COc1ccc2c(c1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 6018946 HGOULPVLENVPRT-IRWQIABSSA-N 368.385 2.910 0 1 FFAF Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(CC2CC2)CC1 26576073 ZEBMXWFZKAPFND-UHFFFAOYSA-N 354.433 2.722 0 1 FFAF NC(=O)[C@@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 101155775 CNBKXUUHTVVJEP-LQJRIPTKSA-N 362.904 2.504 0 1 FFAF CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O 61921366 QIPXBKYXTCUYCD-ZDUSSCGKSA-N 356.332 2.644 0 3 FFAF CC[C@H](O)C=CC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356707898 AOPOCGPBAIARAV-OTWHNJEPSA-N 350.455 2.905 0 1 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 36221368 CMEJZCCOTAAGJD-CABCVRRESA-N 371.308 2.984 0 1 FFAF O=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N(CCO)CCO 45227281 VZRNUQOPUZRHOQ-UHFFFAOYSA-N 370.232 2.793 0 1 FFAF Cn1cc2c(n1)C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 49073467 BABOQEGKYAFVTC-WBMJQRKESA-N 351.859 2.914 0 1 FFAF CCOc1cc(-c2cc(=O)n3ncc(-c4ccnn4C)c3[nH]2)ccc1F 143242349 IWEBIJJVYGLXJB-UHFFFAOYSA-N 353.357 2.628 0 1 FFAF C[C@@H]1CC(=O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](C)C1 299816489 BQTZQFAWZXWIHI-WPSKPGTISA-N 357.450 2.959 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(Cn1cc(C(=O)OCC)nn1)CC2=O 587475199 KCBNTBOTFDTZAU-IBGZPJMESA-N 373.409 2.537 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CCC(=O)O)C(=O)C1)CC2=O 587481893 YAUSUSLUYUQZRM-HXUWFJFHSA-N 373.405 2.660 0 1 FFAF CN(C)C(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924066 GDTXHXUJPYTDAW-ZHACJKMWSA-N 355.419 2.709 0 1 FFAF CN(C)C(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 587197369 NSZARELJGTUSMZ-UHFFFAOYSA-N 361.037 2.719 0 1 FFAF O[C@H](c1nc2cccc(I)c2[nH]1)C1CCOCC1 586913789 ORSUAYFFABDZAI-LBPRGKRZSA-N 358.179 2.628 0 1 FFAF C[C@@H]1CCCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 148404989 KRLKGZZAWZIALG-HZPDHXFCSA-N 372.490 2.970 0 1 FFAF Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1 150012899 TYLDFVKABDWJAS-CYBMUJFWSA-N 353.195 2.783 0 1 FFAF O=[N+]([O-])C(/C(Cl)=C(/Cl)N1CCOCC1)=C1\Nc2ccccc2O1 5582433 MYNIVKDMRUSPSY-PHEQNACWSA-N 358.181 2.916 0 1 FFAF NC(=O)c1nc(=NCc2ccccn2)c2c(-c3ccccc3)cccc2[nH]1 1857547531 YZBZTTCEIPVFHO-UHFFFAOYSA-N 355.401 2.825 0 1 FFAF COc1ccc([C@@]2(C)NC(=O)N(C(=O)c3ccc(F)cc3F)C2=O)cc1 1857611240 ZLQUKMDFNABIIR-GOSISDBHSA-N 360.316 2.581 0 1 FFAF CC(=O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590210 YVCXTQXCEZQWNN-UHFFFAOYSA-N 355.398 2.696 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc21 4969139 LJVMOWDCTMATCW-BBRMVZONSA-N 350.484 2.843 0 1 FFAF CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2C 100085326 BAKRXZDPOGTBEN-QDMKHBRRSA-N 352.276 2.649 0 1 FFAF Cn1cc2c(n1)C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 102024875 BABOQEGKYAFVTC-LRDDRELGSA-N 351.859 2.914 0 1 FFAF CCCCOC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)O 2356710274 WWWKWKCNXDSZKV-LFDJNIOPSA-N 364.523 2.804 0 1 FFAF O=S(=O)(c1ccccc1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35279656 YLOKQWYOYZLCMX-UHFFFAOYSA-N 356.451 2.560 0 1 FFAF CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@H]3C)n1 218564866 UOMUYZXEONWAOD-JTQLQIEISA-N 372.429 2.715 0 1 FFAF COC(=O)C1=CN[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 40640972 QRQPCYRAKCACCD-IQRRUJBNSA-N 351.450 2.752 0 1 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195381775 LROJDEYJWCCVCX-PMPSAXMXSA-N 372.471 2.673 0 1 FFAF COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1O 40981188 WAXVGEPRMGBBES-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF CC(C)CS(=O)(=O)c1nc(C(=O)N2COCC2(C)C)ccc1C1CC1 146291421 TYOGEZWPNHEIPW-UHFFFAOYSA-N 366.483 2.597 0 1 FFAF O=C(Nc1n[nH]c2c1CN(C(=O)c1ccccc1)C2)c1ccc(F)cc1 95574412 WWYUBBRDCPLNQT-UHFFFAOYSA-N 350.353 2.957 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@@](C)(N)c4ccccc43)c(F)c2)cn1 95594030 HNLZRNCTZZQAHS-FQEVSTJZSA-N 350.397 2.947 0 1 FFAF COc1cc2c(cc1O)[C@H](CO)[C@@H](c1ccc(CCCO)c(OC)c1)O2 85996130 DTWUHAOZSGPUHQ-MGPUTAFESA-N 360.406 2.544 0 1 FFAF biogenic CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(F)c3[nH]2)cc1 586945939 CYARDIPKRMQKJF-UHFFFAOYSA-N 351.378 2.534 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccnc2[nH]1 586962431 RPIBETSFTSFVRI-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(N)=O)c3[nH]2)CCC(=O)CC1 587234796 WRCHGGNWBCWVHQ-UHFFFAOYSA-N 372.425 2.525 0 1 FFAF COC(=O)Nc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cn1 587245857 ZYACCVWMVDYGIE-UHFFFAOYSA-N 356.338 2.598 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3cc(N)c(N)cc3[nH]2)CCC(=O)CC1 587234800 WUDMAPHXEMGJJM-UHFFFAOYSA-N 359.430 2.590 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587855952 HKPMUUFOBQENHG-PEGZWESCSA-N 374.275 2.854 0 1 FFAF COC(=O)c1cc(OC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC 587945295 MPNGSZPVMBPPNB-ZDUSSCGKSA-N 370.308 2.914 0 1 FFAF CN(C(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1ccccc1 13656259 LECKZPXZVMCHQV-UHFFFAOYSA-N 359.451 2.819 0 1 FFAF CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)c(C)c2)C3)CC1 15779440 JOFDBNXHXOIVDD-UHFFFAOYSA-N 365.525 2.794 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CC[C@@]14COC(=O)[C@@H]1C=C[C@@H](O3)[C@H]42 169640800 MIKHBQGTXJCMIO-AKRLWLFZSA-N 356.374 2.551 0 1 FFAF NC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@@H]2c2ccccc2O1 206392261 SQQBIRGIDLWJIF-OAHLLOKOSA-N 368.820 2.988 0 3 FFAF COc1ccc(-n2cc(COC(=O)NCCc3ccccc3)nn2)cc1 203462779 IFCHAAXWGIFLIK-UHFFFAOYSA-N 352.394 2.745 0 3 FFAF O=C1CC[C@@H](C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)NN1 205736835 OBINTNUXOPJTDT-AWEZNQCLSA-N 352.419 2.685 0 1 FFAF COc1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1N 1857633616 BTPHFHIBXWXFFM-UHFFFAOYSA-N 367.390 2.839 0 1 FFAF O=c1cc(CCc2ccc(C(F)(F)F)cc2C(F)(F)F)[nH][nH]c1=O 206416054 SLHOHUJHXJOCDY-UHFFFAOYSA-N 352.234 2.886 0 1 FFAF CC(C)(C)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NC2CCCCC2)nn1 2356319771 FHIJKNWWQFBSTL-BPQIPLTHSA-N 373.545 2.735 0 1 FFAF COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 100956721 DTJQBBHYRQYDEG-RIYHHTFRSA-N 368.477 2.882 0 1 FFAF COc1ccc(Cc2nnc3n2N[C@@H](c2cccn2C)S3)cc1OC 28712930 ZHOXFSGOUZCCII-MRXNPFEDSA-N 357.439 2.573 0 1 FFAF NCCOc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114337663 QPQXUWYBRBDMKL-LJQANCHMSA-N 365.481 2.977 0 1 FFAF C[C@]1(O)C[C@@H]2OC(=O)[C@H]3[C@@H]4CC[C@H]([C@@]15C[C@H](c1ccoc1)O[C@H]5O4)[C@@]23C 2356411660 WFNOPFDDUYBCLS-SGYLJKHVSA-N 360.406 2.565 0 1 FFAF O=C(c1ccccn1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CCCC2 28119380 SVAQWMJVQBOLCK-UHFFFAOYSA-N 356.403 2.850 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61927066 QDASGXPJIOSTRZ-QFIPXVFZSA-N 368.477 2.774 0 3 FFAF O=C1C2=c3[nH]c4ccccc4c3=CCN2c2cc(Br)ccc21 2356872849 YDPHIFWCXMUXSR-UHFFFAOYSA-N 351.203 2.536 0 1 FFAF COc1ccc2c(c1)[C@@](C)(O)C1=NCCc3c(OC)c(OC)c(O)c-2c31 15265677 QALBONCPKSJOHU-HXUWFJFHSA-N 355.390 2.651 0 1 FFAF biogenic COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)cc1N 71341575 KXSJPAFDANFPHO-MDZDMXLPSA-N 363.435 2.880 0 1 FFAF COC[C@H](C1CC1)n1nc(C)nc(Nc2c(C)cc(OC)cc2C)c1=O 49110068 NRPDDEJXLJAYLM-MRXNPFEDSA-N 358.442 2.913 0 1 FFAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc(F)cc1F 42888187 RMOSVZPVBJAGMU-UHFFFAOYSA-N 362.357 2.974 0 1 FFAF COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(N)=O)cc1OC 95566674 RSWQKKUCOZEVCH-UHFFFAOYSA-N 365.389 2.611 0 3 FFAF CC1=C2[C@@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@@H](O)[C@@H]2O)OC1=O 238773920 UBMHMIZHPPOKIP-ZDEZPHGVSA-N 350.455 2.654 0 1 FFAF CS(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587171578 OUAPXTFIIFEEMK-UHFFFAOYSA-N 362.382 2.563 0 1 FFAF Cc1c(F)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942638 OJECHCNLZRVMNA-UHFFFAOYSA-N 368.821 2.580 0 1 FFAF N[C@H](Cc1ccc(I)cc1)c1nc2cnccc2[nH]1 587184893 HERDOQYSCGTMJH-LLVKDONJSA-N 364.190 2.805 0 1 FFAF CCn1nccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276629 PDJIDBJRMLPRRL-UHFFFAOYSA-N 350.172 2.530 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)c(F)c(F)c2[nH]1 586929326 AWHPTMBXCYIFEE-UHFFFAOYSA-N 371.340 2.515 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)Oc2c1ccc1c2CCCC1 587524915 MKYRAGUWYNXNEZ-WTFQOOOSSA-N 355.434 2.742 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089537 UIMUHKZEOSEMGM-UHFFFAOYSA-N 353.341 2.998 0 1 FFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O 587400206 LTBRZWDBXASOGH-MRXNPFEDSA-N 357.362 2.756 0 1 FFAF C[C@]1(c2c[nH]c3ccc(C(=O)O)cc23)NCCc2c(C(=O)O)cccc21 963120317 GJVKYPUEGLDYFS-FQEVSTJZSA-N 350.374 2.974 0 1 FFAF COc1cc2c(cc1OC)[C@](CNC=O)(c1ccccc1)N(C)[C@H](C)C2 962637262 WCVIAPWRHXHWBQ-VFNWGFHPSA-N 354.450 2.570 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C=O)c(O)c(C(C)(C)C)c1 1857645160 IQPLRPYVRLKADX-HNNXBMFYSA-N 360.410 2.693 0 1 FFAF C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1cccc(Cl)c1 772231 QYNZKPVAEQBLHS-FXAWDEMLSA-N 372.852 2.800 0 1 FFAF Cc1ccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302642 KHXJSERNUXHHSP-CABCVRRESA-N 355.438 2.763 0 1 FFAF Cc1ccc2cc3cc(C(=O)NCCCN4CCOCC4)oc3nc2c1 4906091 KAEICVDQANZZKL-UHFFFAOYSA-N 353.422 2.742 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632513 ZADIMWTYDQIIES-LRDDRELGSA-N 371.437 2.894 0 1 FFAF OCCN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22925233 IKILHTNIHYFIHG-MRXNPFEDSA-N 363.914 2.957 0 1 FFAF CN(Cc1cccnc1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28126730 AKEPJNJRCPTPRQ-UHFFFAOYSA-N 356.813 2.605 0 1 FFAF COc1c(O)c(OC)c2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1O 14437315 QFVKOJSHXTWDPB-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF biogenic CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C)CC4)ncn3)c2c1 225556410 VEFZRXXUGFNVRZ-UHFFFAOYSA-N 352.442 2.559 0 1 FFAF COc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273573 PMCMBOOIDHLTGJ-RTBURBONSA-N 366.461 2.513 0 1 FFAF COc1cc2c3c(c1)O[C@](CCN(C)C)(c1ccc(O)cc1)[C@@H](C2)C3=O 587427277 CWERAWACBHNAET-LAUBAEHRSA-N 353.418 2.995 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4cc(F)ccc41)[C@@H](C2)C3=O 587429092 TUAYWMBJQAYOPM-RBZFPXEDSA-N 368.316 2.838 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCN(C)CC2)N1 587764959 HRTHMLLLEBATTM-PXAZEXFGSA-N 370.310 2.585 0 1 FFAF N=c1[nH]c2c(s1)-c1nc3nc(O)nc(O)c3cc1[C@H](c1ccccc1)C2 587563152 FOXNSSQLOSFMFP-VIFPVBQESA-N 363.402 2.660 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(=O)O)N1 587808554 ZQKFZPXESJLCGW-QTTZVWFDSA-N 354.179 2.633 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H]4CCOC4=O)c1)[C@@H](C2)C3=O 587450738 GBFJYISCOUNZHM-TWOQFEAHSA-N 366.369 2.878 0 1 FFAF CC(C)(C)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 586957607 CMXDZTIJWSIVOH-SFHVURJKSA-N 374.466 2.724 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1cnccn1)([C@@H](C)C(=O)OC)CC2=O 587490073 OJBISMQVDKWKKY-YUNKPMOVSA-N 370.405 2.805 0 1 FFAF COc1ccccc1[C@@]1(CC(=O)N2CCCCCCC2)CC(=O)N(C)C1=O 11880355 JLWFTZHBBQUYOP-NRFANRHFSA-N 372.465 2.505 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](Cc2ccccc2)O1 13517464 RIVVOSUHDSFWNP-YLJYHZDGSA-N 373.449 2.656 0 1 FFAF C[C@@H]1Oc2ccccc2O[C@H]1CNCC1CCN(c2ncccn2)CC1 13799868 OGJLWAUKNAZCQP-KXBFYZLASA-N 354.454 2.511 0 1 FFAF CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 13859876 RDGBZPAYYHGGML-IBGZPJMESA-N 367.449 2.557 0 1 FFAF Cc1cc(-n2ccc3nc(COc4ccccc4)cn3c2=O)ncc1F 204294552 WKKSAZHJWFXYRX-UHFFFAOYSA-N 350.353 2.907 0 1 FFAF CC(C)(C)c1cc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)ccn1 207253797 OABGVOGTEPPXLG-GFCCVEGCSA-N 373.482 2.984 0 1 FFAF CC(C)(C)n1ncc2c1CCCN([C@@H]1[C@H]3CC4C[C@@H]1C[C@](O)(C4)C3)C2=O 101668590 WBAXTNRSLNUYJC-DLGLFNKWSA-N 357.498 2.966 0 1 FFAF CC[C@@H](C)[C@@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 61936021 HXESXNDAKNWTFD-RDTXWAMCSA-N 373.501 2.534 0 3 FFAF CCCCN1C[C@H](COC(=O)CCC)Oc2cccc(F)c2S1(=O)=O 61931194 LNAAWIOYGCOJGM-CYBMUJFWSA-N 373.446 2.721 0 3 FFAF COC(=O)C1=C2[C@H](CCC[C@]2(C)C(=O)OC)c2cc(C(=O)OC)ccc21 2356650508 IONOIRYNAZYUIR-XCLFUZPHSA-N 358.390 2.860 0 1 FFAF C=Cc1c(C)cc(O)c2c1[C@H](O)[C@H](O)[C@@H]1[C@](C)(C(=O)OC)CC[C@H]3C[C@@]231 2356669096 MQEUTRGOTKQOBL-CYQFOIPYSA-N 358.434 2.599 0 1 FFAF CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273310 WKAHNIDYDJZSBO-FZMZJTMJSA-N 352.822 2.701 0 1 FFAF C[C@H](O)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@H]([C@@H](C)O)C3)cc2)C1 34095497 KNEWNBNAHYOQNG-MTIDIVMFSA-N 360.542 2.872 0 1 FFAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H]5C[C@H]4CO5)ncn3)c2c1 225541986 HRRVCECKQCDCPZ-JSGCOSHPSA-N 351.410 2.785 0 1 FFAF Cc1c([C@H]2NS(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)O 49054391 ULJBQIKLGBOHGM-SFHVURJKSA-N 374.393 2.555 0 1 FFAF COc1ccc2c(c1)CN1C(=O)N(Cc3ccccc3)S(=O)(=O)C[C@@H]21 96020195 KQVSDPZMUNNNDS-KRWDZBQOSA-N 358.419 2.518 0 3 FFAF COc1cc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 33830784 LDYVVKWGJMWITK-STXHMFSFSA-N 360.406 2.654 0 1 FFAF biogenic CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN(C)Cc1ccccc1 43769435 ITQUMIWWTNAOLC-HSALFYBXSA-N 358.530 2.536 0 1 FFAF biogenic CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@@H](C)c3ccc(F)cc3)n2)C1 299887019 YEHUIFRLRZJDEU-SUMWQHHRSA-N 357.433 2.812 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Br)cc1OCC3 587365800 HNCNWNRRRBTZAR-UHFFFAOYSA-N 360.167 2.800 0 1 FFAF Cc1cc(C(F)F)nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587651676 NVVWYNIZDJNQKH-UHFFFAOYSA-N 352.728 2.833 0 1 FFAF Cc1nc(N(C)C)ncc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587195524 WRFPQBHEUYLHTE-UHFFFAOYSA-N 357.727 2.808 0 1 FFAF Cc1ccnc2c1CCN[C@@]2(CC(=O)c1cn(C)nc1C)C(F)(F)Cl 963087960 NAKIMAOLFQRTFO-MRXNPFEDSA-N 368.815 2.878 0 1 FFAF CCN(CC)C(=O)COc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963329073 KMYYUTRMQFOXRJ-NRFANRHFSA-N 354.450 2.875 0 1 FFAF CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660578 OVICWRANQXMJNG-JEBQAFNWSA-N 366.490 2.832 0 3 FFAF COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccccc2)ccc1O 169687896 IVEOSZPCRBACFH-ZWKOTPCHSA-N 368.389 2.986 0 1 FFAF Cc1cc(Nc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1 167984216 MMCBRGSZSPSFRZ-UHFFFAOYSA-N 350.422 2.892 0 1 FFAF COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCCC1 203469063 AGPXXOXDIPJDAL-IIBYNOLFSA-N 374.481 2.629 0 3 FFAF COc1ccc(N2C=N[C@@H]3c4c(ncc5c4NCC5)S[C@H]3C2=O)cc1 207688957 SIUQQICXQVLRLA-HZPDHXFCSA-N 352.419 2.649 0 1 FFAF in-vitro O=C(O)c1cccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)c1 1857582338 PZFFIFPULWOHTL-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF CCOc1ccc([C@@H]2c3c(N)nc(SC)nc3N=C3COC(=O)[C@H]32)cc1 1857613300 FMSAEQPDVWDQSW-QWHCGFSZSA-N 370.434 2.570 0 1 FFAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@H]2CCC[C@@]1(C)O 2356308171 WNRWNWFOYJAQIH-NXXCRTJYSA-N 360.406 2.854 0 1 FFAF O=C(CCS(=O)(=O)c1ccc(Br)s1)NC1CCCC1 2602314 MYTDAHSTLWGUTO-UHFFFAOYSA-N 366.302 2.733 0 3 FFAF NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 3981398 YLJPQUAQAHVZQK-XLIONFOSSA-N 366.452 2.897 0 1 FFAF CCCOn1c(Sc2cc(F)cc(F)c2)c(C(C)C)c(=O)[nH]c1=O 6380743 MSFNGLNXQUYMIV-UHFFFAOYSA-N 356.394 2.928 0 1 FFAF COC(=O)CC(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1 27330047 DLFFTYUGDDOTTC-UHFFFAOYSA-N 353.378 2.654 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 101626512 PJQBNQWXRQYSNG-AYBZRNKSSA-N 357.431 2.550 0 1 FFAF CN1Cc2c(NC(=O)CN3CCOCC3)cccc2[C@H](c2ccccc2)C1 28218185 KVHAHYYHXQXIFY-IBGZPJMESA-N 365.477 2.535 0 1 FFAF CN1CCN(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1 22934051 RFZOLFWPOCFJJB-FQEVSTJZSA-N 350.462 2.536 0 1 FFAF Cc1cc(CCCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 73168677 ITEYYVXNGYGUNO-UHFFFAOYSA-N 365.437 2.812 0 1 FFAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccncc2)O3)c1 61904253 LGROHZHVPGEJMZ-HXUWFJFHSA-N 373.412 2.966 0 3 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H]2C(=O)O[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356518213 JOVBAVJQHJYOID-NVAWSTJUSA-N 372.373 2.717 0 1 FFAF CCC[C@@H](O)C1=C(Br)C(=CI)OC1=O 2356554080 KCFLZMAPXDKUEQ-RXMQYKEDSA-N 372.984 2.630 0 1 FFAF CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@H]2[C@H](/C=C/1C)OC(=O)[C@H]2C 33832812 OHMAVTDVTQMMMR-YBJHZTNISA-N 350.411 2.714 0 1 FFAF in-man NC(=O)C12CC3C[C@@H](C1)C(N1CC[C@@H](Cc4ccccc4)C1=O)[C@H](C3)C2 36286404 GRPWDRHUGPCUBI-GCEXMFKQSA-N 352.478 2.758 0 1 FFAF Cc1cccnc1-c1nc(O)c(O)c(C(=O)N[C@H](C)C2CCCCC2)n1 1911580016 XKEJPJJJGZOLBA-GFCCVEGCSA-N 356.426 2.957 0 1 FFAF CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)C1 73169507 SGVHAMXFQVQZHT-SECBINFHSA-N 351.332 2.775 0 1 FFAF COc1cccc2c1N(C=O)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OCC4 14857147 UWQRGYQPHUFRMW-BVOGOJNSSA-N 354.450 2.674 0 1 FFAF biogenic Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1 224804747 STCIWZDFZSSFFY-UHFFFAOYSA-N 370.409 2.863 0 1 FFAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2CCOCC2)c1 82145249 GGPQGFXDEJEOQP-UHFFFAOYSA-N 352.438 2.525 0 1 FFAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 95794133 UYIMSXLQNLUOCG-WOJBJXKFSA-N 370.880 2.901 0 1 FFAF COc1cc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1O 653905165 OAPQWNFMFQAOFV-FNORWQNLSA-N 374.389 2.923 0 1 FFAF CN1CCN(c2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)CC1 586909149 WCJZJKXZDWIHSK-AWEZNQCLSA-N 364.449 2.896 0 1 FFAF O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586887098 DXBOFXNMEHJGIM-ZCFIWIBFSA-N 367.121 2.722 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C[C@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587432713 LDLCHXSOTZXFTG-GXZWQRSESA-N 367.401 2.759 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799472 XHKLRCOWYFYQOE-ZXLZKYRFSA-N 355.251 2.864 0 1 FFAF COC(=O)[C@H](OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346203 HVLQUPHFUPZQBR-QRFRQXIXSA-N 374.364 2.837 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNc3[nH]cnc32)N1 587804004 QLOKUNGBINARIH-AYVTZFPOSA-N 364.222 2.543 0 1 FFAF N[C@H](CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)N=O 957912713 UXOQZIFDTVHTPG-AWEZNQCLSA-N 357.819 2.565 0 1 FFAF C[C@@]1(c2c(N)cccc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232441 NRDILSZVMYHUPN-FXAWDEMLSA-N 351.381 2.819 0 1 FFAF CCCCC[C@H](O)CCCN(C/C=C\CCCC(=O)O)S(C)(=O)=O 169346985 LDKWDKXUXHXTOO-HWYHOQROSA-N 363.520 2.781 0 1 FFAF COc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 5998665 HHLFEKGPFKSEJX-STZQEDGTSA-N 371.477 2.817 0 1 FFAF C[C@H]1C[C@@H](C)C[C@H](O)[C@@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 17188098 JPYMPXICULCYPW-FCDGGSDDSA-N 359.466 2.750 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@H]2n1cnnn1 169232778 BZZVMQHWNQRWOA-UDCWSGSHSA-N 355.486 2.903 0 1 FFAF COc1ccc(CN2CC(=O)[C@@H](SCCc3ccccc3)C2=O)cc1 169693714 QSWUGHOXZRQPOW-LJQANCHMSA-N 355.459 2.951 0 1 FFAF CC/C=C/C(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721736 BYRCAYNSOOEWFI-SNAWJCMRSA-N 362.451 2.536 0 1 FFAF COc1ccccc1[C@@H]1c2ccc3cccnc3c2NS(=O)(=O)N1C 205621359 HKEXMHRRVUBFOQ-GOSISDBHSA-N 355.419 2.935 0 1 FFAF CC1(C)CC(=O)C[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1 3635076 XLXJOOZEOJQFIM-DENIHFKCSA-N 365.429 2.948 0 3 FFAF Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCc1ccccc1F 6802883 CAHCMCLDMIECOY-UHFFFAOYSA-N 359.426 2.593 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@@H](c2ccccc2)O1 29315941 BVPYVSBOBAVJSC-OXJNMPFZSA-N 359.422 2.786 0 1 FFAF COC(=O)[C@H](Sc1nc2c(C(N)=O)cccc2[nH]1)c1ccc(OC)cc1 113799779 NLRJPTWPXHSARW-OAHLLOKOSA-N 371.418 2.677 0 1 FFAF in-vivo CC(C)[C@@]1(O)C=C[C@@](C)(O)CCC(=O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356465100 ZRSVCIGMOMWILW-ZCNNSNEGSA-N 350.455 2.846 0 1 FFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3ccccc3)cc2N1 60292676 PAZOXNQSXSODTC-QGZVFWFLSA-N 363.402 2.708 0 1 FFAF COCCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1 1911570831 QSKDUBPOWRDQFC-SNVBAGLBSA-N 350.768 2.948 0 1 FFAF O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]1SCCc1ccccc1 34612315 DKFPIBKZZCJRNM-LJQANCHMSA-N 369.442 2.671 0 1 FFAF COc1ccc2c(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)nc2c1 40413841 OBFWTOLQJTWQSO-UHFFFAOYSA-N 363.377 2.936 0 1 FFAF CC(C)OC(=O)C1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC(F)(F)C1 587131765 SUNLTKCBZNAPIX-UHFFFAOYSA-N 350.325 2.763 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587142209 NSIYMCZZVJGXEK-UHFFFAOYSA-N 361.185 2.718 0 1 FFAF Oc1nc(O)c2ccc(-c3c[nH]c4ncc(Br)cc34)nc2n1 587366666 OVYZIFOKHMYAKL-UHFFFAOYSA-N 358.155 2.742 0 1 FFAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(I)cc2[nH]1 586910421 OUHOLBMDAJEHKO-MRVPVSSYSA-N 356.163 2.977 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2N)N1 587766825 XFEZPZLLBRBFOK-GLEZIHRCSA-N 353.239 2.702 0 1 FFAF Cc1ccnc2c1CCNC21c2cccc(O)c2C(=O)c2c(O)cccc21 963067219 IJYBVIOYWSTVCX-UHFFFAOYSA-N 358.397 2.783 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969382 DZUNGCYVRTZGKF-HLZQUXTASA-N 356.800 2.669 0 1 FFAF S=C(NCc1ccccc1)N1CCN(c2ncnc3ccccc23)CC1 13528661 CJRLEEFSYTXKPA-UHFFFAOYSA-N 363.490 2.827 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@H]21 15058649 OHMAVTDVTQMMMR-FDMSFLODSA-N 350.411 2.714 0 1 FFAF endogenous,in-man Cc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncc(C)nc3C)c2c1 169351312 OYYZKUKSRRLUSP-UHFFFAOYSA-N 359.380 2.795 0 1 FFAF Cc1cc(C)c(-n2nnnc2SCC(=O)N2CCC[C@H](C)C2)c(C)c1 2501465 LOZSJOVTJSWMRT-LBPRGKRZSA-N 359.499 2.938 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296282 HORXBVNTEVKUHM-RDJZCZTQSA-N 362.788 2.679 0 1 FFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@H]1NC(=O)c1nc2ccccc2s1 2356368100 HZUUASWCFWJKDM-QXRTWZOPSA-N 368.458 2.612 0 1 FFAF O=C(Nc1ccc2ncccc2c1)c1csc2cnc(NCCO)nc12 113652645 KAVLQUHTAWBEEF-UHFFFAOYSA-N 365.418 2.896 0 1 FFAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1 118514638 JBHYJRXQYXDRRY-UHFFFAOYSA-N 355.423 2.872 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CNC4CCC4)O3)no2)cc1 2356455272 MQEVHYQRMSGLJP-QKNQBKEWSA-N 372.465 2.943 0 1 FFAF COC(=O)[C@]1(C)CCC[C@]2(CO)[C@@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](O)[C@H]21 2356693887 QTHYZUFIFBJEJE-YWXMWJGHSA-N 362.466 2.894 0 1 FFAF COC(=O)[C@H](CO)[C@@H](O)CCCC[C@@H](C)CC(C)=CC(C)=CC(=O)O 2356711380 WKPLWDFQTVJLIX-XYPHTWIQSA-N 356.459 2.693 0 1 FFAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccccc2)[C@H]1NC(C)=O 213835224 QRMRMLPSHCIGNI-XUVXKRRUSA-N 374.481 2.638 0 1 FFAF CC[C@@H]1C2=C(C[C@@H]3[C@H](O)C[C@H](C)C(=O)N3CCCC2)[C@H]2[C@H]1OC(=O)[C@@H]2C 2356812250 BIVOPELHCOXFQY-VYMODODKSA-N 361.482 2.672 0 1 FFAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc[nH]c2)n1 84670489 GPWJKVHNRZOLKW-UHFFFAOYSA-N 353.451 2.800 0 1 FFAF CC(C)CNC(=O)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 199248557 BSIZLLJULBWAAB-KRWDZBQOSA-N 357.454 2.554 0 3 FFAF CC(C)c1ccccc1OCCNCCCCN1C(=O)[C@H]2CCCN2C1=O 96933079 XQESVFGFBSUFAA-GOSISDBHSA-N 373.497 2.985 0 1 FFAF COc1cc(C[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O 86043627 VVKJZDWKHOGKOG-WHSLLNHNSA-N 374.433 2.957 0 1 FFAF biogenic COC(=O)c1cc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1OC 586925254 XYDDYNUZVRDXAA-HJWRWDBZSA-N 372.402 2.803 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 586912268 BNSXNXFASVLQCD-CYBMUJFWSA-N 369.215 2.572 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cccc2c1C(=O)NC2 963611942 RFPYJMICECOZLW-LAJNKCICSA-N 352.434 2.745 0 1 FFAF CC(=O)Nc1nc(C)c([C@]2(C)c3ccsc3CCN2C(N)=O)s1 962707946 IWPIRYPMDQEJDV-HNNXBMFYSA-N 350.469 2.672 0 1 FFAF Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067319 BLVDPTMIBRCGJX-UHFFFAOYSA-N 369.446 2.802 0 3 FFAF Cc1cc(=O)n2[nH]c(SCc3ccc(Br)cc3)nc2n1 169728250 BVDNXRYJJZSINT-UHFFFAOYSA-N 351.229 2.781 0 1 FFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2c(C)nnc12 200503251 DNRXICIPOQCKBX-UHFFFAOYSA-N 351.389 2.831 0 1 FFAF O=C(Cc1ccc(I)cc1)OCCCc1c[nH]cn1 13747352 AVMKSITYPIVSLI-UHFFFAOYSA-N 370.190 2.733 0 1 FFAF CCN1CCN(C(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 7000784 KMIDEKCCDMEYCW-UHFFFAOYSA-N 356.470 2.827 0 1 FFAF COC(=O)[C@@]1(Cc2ccccc2)CC(=O)N1C(=O)N[C@@H](C)c1ccccc1 28475757 BJHWMKKBQRZXLG-YCRPNKLZSA-N 366.417 2.844 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)O1 26575089 QHVRTQXPALTLAV-NSHDSACASA-N 352.259 2.802 0 1 FFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccs1 61906268 JUHKLMILKBKLHS-GOSISDBHSA-N 358.419 2.649 0 3 FFAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H](O)COc3ccccc3)cc2)S1 27208540 PJLZVODMJZTNGZ-XGHPXPSOSA-N 371.414 2.829 0 1 FFAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)Cc2ccc(F)cc2)cn1 74387749 RQBLWDWATFYKFF-UHFFFAOYSA-N 360.433 2.855 0 3 FFAF COc1cccc(CCN2C(=O)Cn3nc(-c4ccccc4)cc3C2=O)c1 73240005 HTMJMQURSXZYPW-UHFFFAOYSA-N 361.401 2.784 0 1 FFAF COc1cc(CCCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2CO 15169053 DCZADIFTWXUYRT-KXBFYZLASA-N 358.390 2.558 0 1 FFAF biogenic COc1c(O)cc(-c2oc3c(C)c(O)c(C)c(O)c3c(=O)c2O)cc1O 14435547 NSLVKGGYZYYMTB-UHFFFAOYSA-N 360.318 2.613 0 1 FFAF biogenic CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccccc2)n1 82132379 CPHSJFVDEVKMQL-UHFFFAOYSA-N 354.454 2.708 0 1 FFAF O=c1nc(CN2CCOCC2)[nH]c2cc(-c3c[nH]c4ccccc34)sc12 96909539 PBAADYUWPYCXRE-UHFFFAOYSA-N 366.446 2.965 0 1 FFAF C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)C(=O)OC(C)(C)C 95660934 FMTPPIHXNCHISQ-DOMZBBRYSA-N 363.458 2.605 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)C[S@@](=O)c4ccccc43)c(F)c2)cn1 95596739 BQMFYJPSTWAHDY-SANMLTNESA-N 369.421 2.881 0 1 FFAF CC(C)[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 95598194 PFPRIUSIEYKHLZ-ZDUSSCGKSA-N 355.446 2.975 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@](C)(O)CCC[C@H](C)CC[C@H]1C(C)(C)O 238737786 QWQGNRPTPFJNKA-JCXZAMIXSA-N 356.503 2.964 0 1 FFAF COc1cc2nc(N3CCCC3)nc(NCCN3CCCC3)c2cc1OC 299825165 DAIXULARTFCNHV-UHFFFAOYSA-N 371.485 2.755 0 1 FFAF COC(=O)C[C@H]1Nc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C 299865253 TUVUPLJKKGINSY-CQSZACIVSA-N 350.374 2.851 0 1 FFAF COc1ccc(C=O)c(-c2nc3nc(Br)c[nH]c-3n2)c1OC 587786181 JMDRFNDSHJHODJ-UHFFFAOYSA-N 363.171 2.564 0 1 FFAF CCOc1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)ccc1OC(F)F 587129988 INZZQOYPGRYZDZ-GQCTYLIASA-N 364.308 2.935 0 1 FFAF Cc1nn(C)c(C)c1-c1[nH]c2c(C(=O)O)cccc2c1N1CCOCC1 587638462 QDXKNFDYYBAIFX-UHFFFAOYSA-N 354.410 2.720 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587448894 MPPOSPZOSFMAIK-OXJNMPFZSA-N 372.442 2.984 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccncc1)(c1ccccn1)NCC2 962927649 WWEFXMDNMUYHSG-JOCHJYFZSA-N 358.445 2.616 0 1 FFAF CCn1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962702341 LJJKWWCCLOGPRE-KGLIPLIRSA-N 357.307 2.749 0 1 FFAF COC(=O)c1cccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962765184 MFYSJGZEELYFBF-HUUCEWRRSA-N 364.323 2.603 0 1 FFAF C[C@H]1[C@H](C)CC(=O)[C@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962694732 HQMYYQKFAQIOPW-PZESVTLZSA-N 359.319 2.884 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C(=O)O)c12 1772645133 SFGKQVRVPXFEIL-SECBINFHSA-N 355.354 2.547 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccccn1 169351543 MHPAOLZAIKIOAG-HXMBZJSXSA-N 371.433 2.666 0 1 FFAF CN(C)c1ccccc1-c1cnc2sc(=NC3CCC(O)CC3)[nH]n12 1857578633 XWJHKHQIJJQPJR-UHFFFAOYSA-N 357.483 2.661 0 1 FFAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(c2nccc3ccccc23)C1 1857655044 IQEFQMPRXQIHJP-UHFFFAOYSA-N 368.414 2.752 0 1 FFAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055210 CVCFWBBSOASEAO-UKRRQHHQSA-N 350.827 2.602 0 1 FFAF C[C@H](CCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743855 XGHZIOVZCANMOF-KZULUSFZSA-N 362.857 2.789 0 1 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccc(Cl)cc3)cc12 114875918 UMQZZVAPEBPWGJ-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF C[C@@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356715268 SULJQTGPGCOLMA-HUMGHVRISA-N 350.499 2.537 0 1 FFAF COc1c(O)ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)c1OC 14436517 LGIAXRTUXPHMDS-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\CCCCCCCO)C(=O)O1 45357092 SWMBURPVXGGAJC-JVVYVMHDSA-N 356.459 2.513 0 1 FFAF O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95869345 HNLHPANQQJVZFI-VQTJNVASSA-N 369.509 2.563 0 1 FFAF C[C@H](O)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([C@H](C)O)C3)cc2)C1 253693701 KNEWNBNAHYOQNG-MOXQZVSFSA-N 360.542 2.872 0 1 FFAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1N[C@H](C)c1ccc(F)cc1 299876376 FOQIGRVAEINJHF-UKRRQHHQSA-N 357.433 2.799 0 1 FFAF O=c1oc2cc3c(cc2cc1[C@@H](CO)Cc1ccc2c(c1)OCO2)OCO3 299855126 DIBJXCOPIQZLHT-CYBMUJFWSA-N 368.341 2.569 0 1 FFAF O=C(C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)O)NC1CCCCCC1 473150780 MRTTZNQNDDWZPV-OAHLLOKOSA-N 372.421 2.845 0 1 FFAF C[C@H]1COc2c(CN3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473244561 NKYVVLOBLJSRLH-NSHDSACASA-N 360.385 2.778 0 1 FFAF NC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984626 TZJCMSMUWMYHMS-GFCCVEGCSA-N 359.227 2.667 0 1 FFAF CN(C)c1ncccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587195903 NVHXPYMCXNFSGW-UHFFFAOYSA-N 361.409 2.750 0 1 FFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnccc2[nH]1 586934499 AGKYWDVLVJUHNH-CQSZACIVSA-N 362.480 2.731 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@@H]1CCCNC1)[C@@H](C2)C3=O 587440526 OUUYYIPTMLAABU-ZJTDPSCFSA-N 350.418 2.733 0 1 FFAF Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCO5)cnn2c1 587007661 CGZZKJXBYREZOC-UHFFFAOYSA-N 358.155 2.764 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(OCC(C)(C)O)cc1)NCC2 962923745 JSJDNGHUDAVTJW-FQEVSTJZSA-N 368.477 2.773 0 1 FFAF O=c1c2cnn(-c3ccccc3)c2n2c(S)nnc2n1-c1ccccc1 1772642298 GTRYPYRULWFULR-UHFFFAOYSA-N 360.402 2.508 0 1 FFAF CCCCCC(=O)C[C@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN12 13383029 RKTWGMYTKBSCLV-MOPGFXCFSA-N 363.546 2.805 0 1 FFAF biogenic Cn1c(=O)[nH]c2nc3ccc(OCCCC(=O)N4CCCCC4)cc3cc21 13725660 NEXQSNFNHKOAMU-UHFFFAOYSA-N 368.437 2.586 0 1 FFAF Cc1nc(N)nc(-c2c(Nc3cccc4[nH]ncc34)nc3ccccn23)n1 168430654 VJDWLNYNYCCEMY-UHFFFAOYSA-N 357.381 2.697 0 1 FFAF CCOC(=O)N1CCN(CCC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 1857653956 OBZUZHVQKWYRQV-RZQQEMMASA-N 366.502 2.909 0 1 FFAF O=C1N(Cc2nc3ccccc3n2CCCCO)c2cnccc2C12CC2 1857750168 ZQLJNVLGHWONKL-UHFFFAOYSA-N 362.433 2.782 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356349605 JVAJKTKTXSNNJB-HUUCEWRRSA-N 370.453 2.630 0 1 FFAF COc1ccc([C@@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)cc1 6230536 OXYSUOUDVDRIEL-SFHVURJKSA-N 352.390 2.989 0 1 FFAF c1cc(-c2cnc(-c3ccc(C4=NCCN4)cc3)o2)ccc1C1=NCCN1 6536384 WPSOPVNFLULSAT-UHFFFAOYSA-N 357.417 2.708 0 1 FFAF CCc1c(C)c(C(N)=O)c2nc3ccccc3n2c1NCCN(C)CC 53297372 CRMXCPGFOQVBRZ-UHFFFAOYSA-N 353.470 2.821 0 1 FFAF Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1 103199658 XELRKHVOTMGODU-UHFFFAOYSA-N 365.418 2.621 0 1 FFAF COc1cc2sc(-c3c(NCCc4cnc[nH]4)n[nH]c3N)nc2cc1F 114379366 RAYNDGCIBNIDFC-UHFFFAOYSA-N 373.417 2.794 0 1 FFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 2356298403 BANLAOFILPITPI-ZQIUZPCESA-N 361.511 2.880 0 1 FFAF Cc1ccc(OC2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)nc1 26938118 HPIHVVAXNOHCLX-UHFFFAOYSA-N 373.430 2.919 0 1 FFAF CC(=CC(=O)O)CCC1=C(C)C[C@H](O)[C@@H]2[C@]1(C)CC[C@H](O)[C@]2(C)CO 2356573457 NUTCNEOTPPOFED-UFHDJZAFSA-N 352.471 2.654 0 1 FFAF CCCNC(=O)OC[C@@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2ccco2)nn1C 2356818015 DPSKJSAYDSPXAH-OWCLPIDISA-N 372.469 2.994 0 1 FFAF COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 64560596 BXUGBCMKSUJJPL-UHFFFAOYSA-N 357.431 2.725 0 1 FFAF C[C@@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCC1 34858564 AARSWTCYRTZQER-ZDUSSCGKSA-N 356.422 2.652 0 1 FFAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(C)o4)C3=C2)cn1 149135697 PPSDHKKDSGMSTM-UHFFFAOYSA-N 373.416 2.841 0 1 FFAF O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1F 146267743 MPNSNZPKUAKLLW-UHFFFAOYSA-N 352.778 2.861 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@H]([C@@](O)(CO)[C@@H](O)CO)C[C@@H]12 473096138 YYLNWEORJBWPMV-HAFCSRAXSA-N 354.531 2.722 0 1 FFAF C[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343362 KGPGICRCVYRGFW-PZJWPPBQSA-N 371.408 2.981 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587233215 KSQLFQFQLOIPFM-STQMWFEESA-N 369.429 2.699 0 1 FFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)ncc2[nH]1 586963838 QJAKEGZCUGSGSP-LBPRGKRZSA-N 359.411 2.792 0 1 FFAF COc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 587132278 OZTMHQTXUXGGBR-SECBINFHSA-N 354.357 2.936 0 1 FFAF COC[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582837 RMWQPAUXVIXEET-PXNSSMCTSA-N 366.373 2.629 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)(=O)CC2)N1 587844883 PDOJYTFKEUNYRY-SECBINFHSA-N 362.264 2.526 0 1 FFAF Cc1ccc2c(c1)[C@@]1(N[C@H]3Cc4c1ccnc4C3=O)C(Br)=CO2 963290129 UFNBKZOCACTTKI-SCLBCKFNSA-N 369.218 2.973 0 1 FFAF Cc1ncoc1C(=O)NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 12247315 HSNLGYCJBAJQMS-OAHLLOKOSA-N 353.353 2.918 0 1 FFAF CC(=O)N1CCC(NC(=O)N[C@H]2C3C[C@H]4C5CC6C[C@@H]4C2[C@H](C6)[C@H]5C3)CC1 1857586516 WIKPLERXRBKKHT-BQHDYXQZSA-N 371.525 2.613 0 1 FFAF COc1cccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)c1 2356405559 XALIAAMMQOVQSW-IBGZPJMESA-N 369.440 2.956 0 1 FFAF CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3ccc(C)cc3)c21 6916315 VQBFRXDHIXUBGH-UHFFFAOYSA-N 366.465 2.981 0 1 FFAF CCOC(=O)[C@@H]1S[C@@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 7991457 XECIQQVBKABCHR-LEWSCRJBSA-N 363.357 2.606 0 1 FFAF CC[C@]12C=CCN3CC[C@]4(C5=C(NC4=C(C(=O)OC)C1)C(O)=CCC5)[C@H]32 2356414322 JCNWTKLAHXIPKZ-QHAWAJNXSA-N 354.450 2.937 0 1 FFAF O=c1c2ccc(NCCO)cc2n2ccnc2n1-c1cccc(Cl)c1 34948419 SQJTYVYRMRVUDQ-UHFFFAOYSA-N 354.797 2.696 0 1 FFAF NC(=O)c1cccc([C@](O)(c2cncnc2)c2ccc(Cl)cc2F)c1 72102765 GQAAMYYFJIPREV-SFHVURJKSA-N 357.772 2.652 0 1 FFAF NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2 39123364 BIASYWBGUYOWJR-UHFFFAOYSA-N 371.480 2.758 0 1 FFAF in-vivo Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](NC(=O)[C@H]4CC4(F)F)CC3)c12 1911575477 OWAGRTBSGRSEOG-CKYFFXLPSA-N 350.369 2.770 0 1 FFAF CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82152372 FQUHYTNHLMSXEZ-CYBMUJFWSA-N 358.417 2.648 0 1 FFAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](C(C)C)N2 82224185 QWEFSPIZDJELFC-OAHLLOKOSA-N 360.433 2.621 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 95894816 OIEGYFAFDUVRDN-WQKGMZEVSA-N 370.493 2.701 0 1 FFAF CN(Cc1cccs1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 96927687 UOMIGERFGLZAFO-KRWDZBQOSA-N 364.421 2.638 0 1 FFAF O=C1C[C@H]2N(CC3CC3)CC[C@]34CC(=O)[C@H]1C[C@@]23Cc1ccc(O)cc14 254133680 WWZJATZYCGKHLQ-ZJQURUERSA-N 351.446 2.609 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(O)O)N1 587845806 FUYHAYPBBZITRS-AYVTZFPOSA-N 372.259 2.738 0 1 FFAF CCOC(=O)C[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793901 OFVQTNHFCYUZAJ-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442983 SDBYMYYGVYNSMX-FOIQADDNSA-N 356.374 2.915 0 1 FFAF CCOC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593004 BQNFPZABOYRCCU-YLJYHZDGSA-N 372.373 2.692 0 1 FFAF O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)C(F)(F)F 587368485 KRDKXKUCDQNLPC-UHFFFAOYSA-N 350.256 2.604 0 1 FFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587013851 ZNTSYQRHEXODAX-UHFFFAOYSA-N 368.466 2.807 0 1 FFAF Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587087454 QYYCHWJHGRTLNQ-UHFFFAOYSA-N 368.578 2.716 0 1 FFAF C[C@H](O)[C@@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976806 OHNFAQAUHXRIHL-GYTNSZNVSA-N 373.808 2.903 0 1 FFAF C[C@]1(c2cc(CN3CCOCC3)cs2)NCCc2c(C(=O)O)cccc21 963124416 QKKGOPVYZUIKKP-FQEVSTJZSA-N 372.490 2.688 0 1 FFAF Cc1noc2c(N3CCC(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 139218140 GEYGVELMKHVIQF-UHFFFAOYSA-N 359.357 2.823 0 1 FFAF O=C(CN1CCC(N2CCCC2)CC1)[C@](O)(c1ccccc1)C1CCC1 13825899 SUSXBXYYXVDLLT-QFIPXVFZSA-N 356.510 2.804 0 1 FFAF CC(C)OCCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166135623 IPWPYCHMWDRDDA-UHFFFAOYSA-N 368.437 2.784 0 1 FFAF COc1cccc2c1CCN(C(=O)CNC[C@@H](C)O)[C@H]2C1CCCCC1 201373732 BOBVAQZASSMOOH-VFNWGFHPSA-N 360.498 2.672 0 1 FFAF CCCCCn1nnnc1[C@@](C)(CCCC(=O)OC)NCc1ccco1 205857914 ADKPMNYCVMZGKG-GOSISDBHSA-N 363.462 2.805 0 3 FFAF COc1ccc(C(=O)OP(=O)(O)OC(=O)c2ccc(OC)cc2)cc1 1857571884 KYLNSYFYBXQCGY-UHFFFAOYSA-N 366.262 2.818 0 1 FFAF O=C1C[C@@H](O)[C@]2(Oc3cccc4c(O)ccc(c34)O2)c2c(O)ccc(O)c21 222032533 KGZLWNLQQVXESZ-OXQOHEQNSA-N 366.325 2.528 0 1 FFAF CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@H]2C1=O 103260448 QLBYNJNJSAHWFL-RBUKOAKNSA-N 353.466 2.895 0 1 FFAF FC(F)(F)c1ccc2c(c1)nc1n2[C@H](CNC2CCOCC2)COC1 2356300198 BLKRPEGZSUBBJV-CYBMUJFWSA-N 355.360 2.895 0 1 FFAF CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](Cc1ccccc1)C(=O)O 66263450 BXZPWMFCLSKTAJ-OALUTQOASA-N 364.445 2.688 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](CO)OC(C)=O 2356737839 VURLZBDQVPJJTL-HOJAQTOUSA-N 354.450 2.957 0 1 FFAF COc1cc(C=C2C(=O)OC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356741491 RJVKWKAOIHNOQD-CQSZACIVSA-N 356.374 2.914 0 1 FFAF CSCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O 37492446 PSTXEKNBAKEIJW-UHFFFAOYSA-N 352.463 2.786 0 1 FFAF COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@H](O)[C@@H]2C 39029085 LJCHDOYLNWEGEZ-JEDPMCOYSA-N 350.499 2.825 0 1 FFAF CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205764 RFNUGUXEOBNPOR-HZPDHXFCSA-N 370.453 2.818 0 1 FFAF Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(NC(C)C)nc1 141850633 KNLIZDBKXGZPTF-UHFFFAOYSA-N 352.442 2.757 0 1 FFAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCOCC2)no1 143502601 SZJWSJRAHGKJDN-AWEZNQCLSA-N 363.458 2.718 0 1 FFAF Cc1csc(NC(=O)c2cc(F)cc(Oc3cnc(O)nc3O)c2)n1 299853540 MJXITVJSQJJGEJ-UHFFFAOYSA-N 362.342 2.836 0 1 FFAF COc1cc(CCNCc2cccnc2O)c(OC)cc1Br 473109159 QDCQSKDZUVJKCR-UHFFFAOYSA-N 367.243 2.899 0 1 FFAF O=C(CCn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12 653799337 LAKFSEDRMBDVPX-UHFFFAOYSA-N 357.377 2.971 0 1 FFAF CN(C)CCCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1C3=O 653691085 NHYWXISJGXWZCK-UHFFFAOYSA-N 360.417 2.523 0 1 FFAF CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584384 XJDOOWMOOFJERR-QGZVFWFLSA-N 353.374 2.735 0 1 FFAF N=c1[nH]ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000320 QFTHOKSFQLRHDZ-UHFFFAOYSA-N 373.166 2.612 0 1 FFAF O=C(c1cncn1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652319 BWBVWQWVQLMVOH-UHFFFAOYSA-N 350.765 2.924 0 1 FFAF O=C1COc2cc3[nH]c([C@@H]4CS[C@H](Cc5ccccc5)N4)nc3cc2N1 587043109 YEDVJECJSICSKH-MAUKXSAKSA-N 366.446 2.840 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NCCc1ccccc1)[C@@H](C2)C3=O 587433273 PSZGPWAJRFYWSU-HTAPYJJXSA-N 365.429 2.950 0 1 FFAF Cn1ccnc1[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962926530 WYTCVFRUQWFECP-JXFKEZNVSA-N 369.371 2.589 0 1 FFAF O=C(Nc1ccccc1C(F)(F)F)[C@H]1CN(c2ccccc2)C(=O)C1=O 169344703 YIRNBSSLLGMSGA-LBPRGKRZSA-N 362.307 2.876 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccncc2)[C@H]1C(=O)c1ccco1 169687217 MSEMSKUBTMQJDJ-ROUUACIJSA-N 360.369 2.826 0 1 FFAF O=C(NCc1ccncc1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166346140 CIKFUNYTOPIXIP-UHFFFAOYSA-N 373.416 2.954 0 1 FFAF Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(OC(C)C)nc1 205069735 KZQNSSCYBYLNLY-UHFFFAOYSA-N 353.426 2.724 0 1 FFAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 1656450 OHRKKMFZDUDWQZ-ULQDDVLXSA-N 369.465 2.686 0 1 FFAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)NC(C)(C)C 8604907 DYZJILQXQSHZHK-UHFFFAOYSA-N 352.438 2.625 0 1 FFAF CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 100583570 XECIQQVBKABCHR-BPNCWPANSA-N 363.357 2.606 0 1 FFAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C(C)C)C2=O)cc1 103243726 AQGIYWVJHLTDRJ-UHFFFAOYSA-N 353.422 2.722 0 1 FFAF CC(=O)c1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1 29404134 WUUUCCODYRDPCB-OAHLLOKOSA-N 364.357 2.511 0 1 FFAF CC(C)C=Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@H](c1ccc(O)cc1O)O2 2356725243 AWVLLCIFSAKNJE-PMACEKPBSA-N 372.373 2.856 0 1 FFAF CCNC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@@H]1C 27414978 JTQLMUFIPBXBCB-NEPJUHHUSA-N 373.428 2.608 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4F)C[C@H]3C2)n1 116826310 PZTVGKKEEBDOLR-KBPBESRZSA-N 358.392 2.580 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)on2)C1 61907490 MYGZLRBAKBYRGF-HXUWFJFHSA-N 357.454 2.706 0 3 FFAF O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NC1CC1 15673566 JWPSTAGANJXLPG-HOTGVXAUSA-N 369.465 2.691 0 1 FFAF biogenic Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Br)cc1 71295263 JQIOJIUDRDIFJN-UHFFFAOYSA-N 372.679 2.961 0 1 FFAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)co2)cc1 82074026 FPWZQDIVGURCSR-UHFFFAOYSA-N 373.453 2.605 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 299810745 ZGINMMAZDQRTDJ-TXGDUEDDSA-N 353.462 2.960 0 1 FFAF N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccccc1Cl 587057532 AWGNJQIOMHETDB-LBPRGKRZSA-N 351.815 2.706 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccn2C)N1 587755036 NYVLICSEDVRJKL-FVMDXXJSSA-N 367.218 2.789 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(OCC(C)(C)O)cc1)NCC2 962923746 JSJDNGHUDAVTJW-HXUWFJFHSA-N 368.477 2.773 0 1 FFAF O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCO2 1772604755 BUKOOYOYANHUBB-UHFFFAOYSA-N 352.272 2.739 0 1 FFAF COc1ccc([C@@H](O)CCN2CCN(c3ccccc3OC)CC2)cc1 13861744 OKSIZZBSWZAKPC-FQEVSTJZSA-N 356.466 2.950 0 1 FFAF COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cccs3)cc12 13878722 WUTRXTAXAVIEBY-UHFFFAOYSA-N 358.419 2.579 0 3 FFAF CC(=O)Nc1nc2c(Oc3cc(N4CCOCC4)ncn3)cccc2s1 14974154 IRKPFIFOQVJIQQ-UHFFFAOYSA-N 371.422 2.674 0 1 FFAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@@H]31 169299456 DJBZJHHPGHHHCA-ZOCIIQOWSA-N 364.449 2.938 0 3 FFAF O=C(Nc1ccccc1N1CCOCC1)n1sc2ccccc2c1=O 169311119 QIAVLJUPQMHWEU-UHFFFAOYSA-N 355.419 2.980 0 1 FFAF COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1OC 3037495 LKYQPUVHCYVSEH-FQEVSTJZSA-N 372.465 2.911 0 1 FFAF CN(C)C[C@@H](COc1ccccc1CCc1ccccc1)OCC(=O)O 29487861 XPFCBFOTOBVLQQ-IBGZPJMESA-N 357.450 2.882 0 1 FFAF O=C(Nc1nccs1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101162996 SRVMZAXXKZQODG-UHFFFAOYSA-N 364.386 2.800 0 1 FFAF CC(C)(O)[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@H]1O 28109246 KFBQRZHPKRMWKO-AIDNLNPPSA-N 371.521 2.828 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 33829850 TYPMTMPLTVSOBU-XJHWFDBESA-N 352.434 2.963 0 1 FFAF in-vitro CCCNCC(=O)Nc1ccc([C@H]2NC(=O)[C@H](C)c3ccccc32)cc1 33823672 RQORVHNEKKGADI-JLTOFOAXSA-N 351.450 2.947 0 1 FFAF O=C1N[C@H](c2ccccc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45254468 NZVFNEJFUHOFKP-FUHWJXTLSA-N 360.417 2.721 0 1 FFAF COc1cnc(C(=O)Nc2cccc([C@]3(C)C=CSC(N)=N3)c2)cn1 139593789 RXXOKJUGADSMCA-KRWDZBQOSA-N 355.423 2.528 0 1 FFAF Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F 143090508 HQMAGSAVQJZZDZ-UHFFFAOYSA-N 357.355 2.748 0 1 FFAF CCOC(=O)CN1C(=O)S[C@H](Cc2ccc(OC(C)C)cc2)C1=O 98085022 OCQPNDHHPKWDHM-CQSZACIVSA-N 351.424 2.643 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 254143363 HQKOAEHQZLLCRE-CCOGCMCPSA-N 367.449 2.610 0 1 FFAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299887521 ZAABBSDFYRKRDR-CKNFYHOISA-N 356.422 2.895 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587450034 LVTVGJRNEWRTEG-BMQAXYIDSA-N 370.401 2.661 0 1 FFAF CCOC(=O)C[C@@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452152 JLGHQZQQSVIHFS-QRWLVFNGSA-N 360.406 2.561 0 1 FFAF CCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)C1 587514484 ACWUMIZYHWPJTJ-LAUBAEHRSA-N 357.450 2.784 0 1 FFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(O)ncnc4[nH]3)c2)c1 587236194 UKLVIYCTFPQEQL-UHFFFAOYSA-N 359.389 2.676 0 1 FFAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)c1ccccc12 587533976 SZMBQNAJKYHUMY-UGKGYDQZSA-N 362.381 2.552 0 1 FFAF CO[C@@H]1CS(=O)(=O)c2cc(NC(=O)c3cc(Cl)ccc3O)ccc21 148027077 FBOJUENLVCQBTH-CQSZACIVSA-N 367.810 2.773 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)O2 587394045 PVXRVTZZXXRSGL-HOCLYGCPSA-N 362.426 2.547 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1Br 586979351 BAELQWMKKBGPCL-LLVKDONJSA-N 365.191 2.838 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](CCCNS(=O)(=O)C1CC1)CC2=O 587482780 DSQWAMCYTSLMRP-GFCCVEGCSA-N 367.467 2.541 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)o1 586930878 JKPRHMQACIGYAW-UHFFFAOYSA-N 361.210 2.775 0 1 FFAF Cc1cc([C@H]2CCCN(C(=O)c3ccc(F)c(C)c3)C2)n2ncnc2n1 1772573944 STBGTICWPIPTAX-HNNXBMFYSA-N 353.401 2.900 0 1 FFAF COc1ccc(CNCCNCc2ccc(OC)c(OC)c2)cc1OC 19364604 ILLLQBGNAXYEQT-UHFFFAOYSA-N 360.454 2.600 0 1 FFAF O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(F)cn2)C1 169310208 KUTJEWYDBTYQNW-CQSZACIVSA-N 362.836 2.844 0 1 FFAF CCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169343990 XXYXPBFLSNTPKS-NMHKPMMBSA-N 369.461 2.529 0 1 FFAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NC 206692279 YUFHOAOASPUTSX-UHFFFAOYSA-N 359.470 2.782 0 1 FFAF CC(C)(C)c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccn1 201458396 OABGVOGTEPPXLG-LBPRGKRZSA-N 373.482 2.984 0 1 FFAF Cc1ccc(Cl)c(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)c1 207701679 JCCYRLIRKHHAIQ-GOSISDBHSA-N 359.857 2.847 0 1 FFAF CO[C@H]1CC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857757672 JDHUWVSIHYESBZ-GJZGRUSLSA-N 374.387 2.681 0 1 FFAF CCOCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 103196337 MZMLGEFSAJOMJJ-UHFFFAOYSA-N 365.861 2.981 0 1 FFAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@H]1c1[nH]cnc1Cl 103169366 LYCKWJXPIMUUFZ-CYBMUJFWSA-N 367.833 2.814 0 1 FFAF CNC[C@H](O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28374295 NDMANJISKBTRSL-NSHDSACASA-N 353.850 2.594 0 1 FFAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5OC(C)=O 2356784637 PLBDWNDRQQBXTQ-DOHUHWCYSA-N 350.462 2.727 0 1 FFAF COc1ccc(C(=O)c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 66259411 WMCQHMCCAPJXLH-UHFFFAOYSA-N 369.377 2.737 0 1 FFAF Nc1nc2c(c(NCc3nccs3)n1)CCN(CC1CCCC1)CC2 72470748 SPTJBYSDDWEIMI-UHFFFAOYSA-N 358.515 2.718 0 1 FFAF NC12CC3(CCC(=O)O)CC(CCC(=O)O)(C1)CC(CCC(=O)O)(C2)C3 40975368 AQNOFSKTHMEWQS-UHFFFAOYSA-N 367.442 2.619 0 1 FFAF COc1ccc(Cc2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1O 84713331 FCLDAOQJXSHJKC-UHFFFAOYSA-N 371.393 2.803 0 1 FFAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 82141987 NFPQNUIGMNYVEP-GASCZTMLSA-N 370.453 2.691 0 1 FFAF CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@@]2(C)O 238750193 AWUFGFYVINUPDN-ZVWHEKJNSA-N 350.455 2.859 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C)N1 587766136 FQCJYBPWGHYEIO-SGPKTVCVSA-N 369.278 2.811 0 1 FFAF Nc1ccc(F)c(Cc2nc3cc(I)cnc3[nH]2)c1 587141213 NTIWDUUHHZTIRP-UHFFFAOYSA-N 368.153 2.875 0 1 FFAF CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)CC(=O)c2cc(C)cc(N)c2O1 587408658 NENVUBNNMQWXMM-OAQYLSRUSA-N 367.401 2.936 0 1 FFAF O=C(N[C@@H]1Cc2cc(Cl)cc(Cl)c2C1=O)[C@@H]1COc2ncccc21 1772645316 QAWCAQCOBWYFOU-DGCLKSJQSA-N 363.200 2.788 0 1 FFAF C=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)O3 5618734 JWUUZXOHPRFBRM-LFXMKWOOSA-N 360.406 2.634 0 1 FFAF biogenic Cc1nn(C)c(Cl)c1CN1CCC(CO)(C[C@H]2CCCCO2)CC1 12020826 WXHIWORDBVLRAP-OAHLLOKOSA-N 355.910 2.916 0 3 FFAF O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3cc(F)ccc34)C(=O)N12 13586479 RLOBCNKTHMNWDX-RXTQTKKPSA-N 373.390 2.913 0 1 FFAF COc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709256 NYMBFOSYHBPZJC-KBXCAEBGSA-N 355.438 2.945 0 1 FFAF N#Cc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1 168069498 UOTHEUCAUHMAHR-UHFFFAOYSA-N 358.401 2.990 0 1 FFAF COc1cccc2c1CCN(C(=O)CNC[C@@H](C)O)[C@@H]2C1CCCCC1 201373770 BOBVAQZASSMOOH-QVKFZJNVSA-N 360.498 2.672 0 1 FFAF Cc1ccsc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N21 1857649853 POJXWUVSAINFTF-CRAIPNDOSA-N 365.458 2.853 0 1 FFAF CNc1cc(=Nc2cccc(-c3ccccc3)c2)[nH]n2c(C(N)=O)cnc12 1857652935 SWSARBCXBKPUSA-UHFFFAOYSA-N 358.405 2.702 0 1 FFAF CN(C)CCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21 28377333 QJNCQEBQJXYHQL-UHFFFAOYSA-N 374.444 2.683 0 1 FFAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1 3814621 LWPSCKOHFHYVBN-UHFFFAOYSA-N 368.340 2.601 0 1 FFAF O=C(CCS(=O)(=O)c1cccs1)NCCc1ccccc1Cl 3894739 YEGGKTYDNQAUCV-UHFFFAOYSA-N 357.884 2.924 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC 4152398 LTQHZLOFQMWPTR-BJZITVGISA-N 372.421 2.657 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100797247 ZYHSHBUXMTUHNX-SOAMZJECSA-N 361.482 2.699 0 1 FFAF CCOC(=O)CN1C(=O)S[C@@H](Cc2ccc(C(F)(F)F)cc2)C1=O 103294036 BPUZNVWHPZOTOJ-NSHDSACASA-N 361.341 2.875 0 1 FFAF CCOC(=O)[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 26390388 KTZWUBDJHXVTDJ-QGZVFWFLSA-N 350.374 2.771 0 1 FFAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@H]1CCN1CCCC1 2356573471 OGUHNVUJYHJQRS-ZWKOTPCHSA-N 350.503 2.992 0 1 FFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)CC1 2356670143 AZLCTTXLMHPKNM-PWRODBHTSA-N 355.526 2.859 0 1 FFAF CC(C)C[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCc1cccnc1 40764155 GIKPVLUKPSUXJK-INIZCTEOSA-N 362.470 2.704 0 1 FFAF COc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1 95565544 JKVNWHVBZQYAID-UHFFFAOYSA-N 362.788 2.863 0 1 FFAF CN(CCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Cc1ccccc1 253664937 JCQWKPHRUQWHIZ-IPJCAIGPSA-N 350.462 2.562 0 1 FFAF CN(C)C(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118295 LEESJNGOZOSNIU-UHFFFAOYSA-N 351.332 2.723 0 1 FFAF CCn1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C 587276699 RZMBPMVHFAPPSE-UHFFFAOYSA-N 364.199 2.838 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1CC1 587578926 BVACXIVTHWHEOA-YLJYHZDGSA-N 363.373 2.794 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)O2 587408839 IZQXSXYTFKTGRB-KRWDZBQOSA-N 360.435 2.534 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1 586930418 SHQRARNHFORRAH-UHFFFAOYSA-N 362.358 2.817 0 1 FFAF Cc1ccnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 587181768 CIORJTAZMQTDSU-SECBINFHSA-N 367.194 2.985 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@H]1CCCNC1)[C@@H](C2)C3=O 587440158 OUUYYIPTMLAABU-HTZUNMPGSA-N 350.418 2.733 0 1 FFAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963528483 SSYABUSFXPNWDS-JXFKEZNVSA-N 363.417 2.883 0 1 FFAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)CC1 5841173 RZZKOYSNEUOTGK-UHFFFAOYSA-N 361.417 2.562 0 1 FFAF NC(=O)c1ccsc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 12973096 KSFUDJDMPBDHEG-UHFFFAOYSA-N 350.268 2.724 0 1 FFAF O=C(O)CCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824847 WQNBXYDPWXPEPI-UHFFFAOYSA-N 372.812 2.733 0 1 FFAF COc1n[nH]c2cc(NC(=O)NCCCCc3ccccc3)nc(CO)c12 209339373 VRRSHMGIUFZOEO-UHFFFAOYSA-N 369.425 2.603 0 1 FFAF CNc1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1 1857660 LHPODYMNJCQFIB-UHFFFAOYSA-N 373.416 2.506 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356399469 WHGSMDTWNZJGPS-IEZWGBDMSA-N 370.449 2.520 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(C[S@@](=O)CC2CCCC2)cc1 25968992 NEWTVTARTFDJKI-HOYKHHGWSA-N 353.528 2.863 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4C)C[C@H]3C2)n1 116826665 DPIPMKPGBKKWPI-HDICACEKSA-N 350.466 2.919 0 1 FFAF NC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc([C@H](O)CO)n1 114602154 ZMTLVSOVVBCXRB-LJQANCHMSA-N 352.365 2.679 0 1 FFAF O=C([C@H](NC(=O)n1nnc2ccccc21)c1ccccc1)N1CCCCC1 28114004 QZJIJZAMPAFRJC-GOSISDBHSA-N 363.421 2.743 0 1 FFAF O=C(NC[C@H]1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118673713 VYRHSZRZVBIDCD-LLVKDONJSA-N 356.451 2.869 0 1 FFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@H](CC3)[C@H](CO)C[C@]41CN(C)C2 2356538883 ULAUSBPEMLEEMK-XUCMERPOSA-N 363.542 2.577 0 1 FFAF COc1ccc(C=C(NC=O)C(=Cc2ccc(OC)cc2)NC=O)cc1 2356594789 ZRAIRHSUKMHHQT-UHFFFAOYSA-N 352.390 2.578 0 1 FFAF COc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 38214730 WMMHYPDJXGCLJQ-UHFFFAOYSA-N 356.407 2.543 0 1 FFAF Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(c3)OCO4)c12 36380198 TTWDAOGBFIRZMA-UHFFFAOYSA-N 370.419 2.762 0 3 FFAF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)[C@@H]1C 33715331 HZPODKAOLALRSY-ZENOOKHLSA-N 356.422 2.626 0 1 FFAF Nc1n[nH]c2nc3scc(-c4cc(Cl)c(Cl)cc4O)n3c(=O)c12 49113882 LKFOCERJGCSGBQ-UHFFFAOYSA-N 368.205 2.894 0 1 FFAF CO[C@H]1O[C@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 85837379 XXNNKVDBGXCFHP-HBFSDRIKSA-N 369.373 2.747 0 1 FFAF biogenic,in-vitro CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@@H](C)C5=O)[C@H]12 40876518 YPVJSAYFTDREBJ-CQVBDWECSA-N 362.466 2.960 0 1 FFAF biogenic,in-vitro O=C1N2CCc3ccccc3[C@H]2CS(=O)(=O)N1Cc1ccc(F)cc1 96019133 RXLSIMUUTFZXDN-QGZVFWFLSA-N 360.410 2.691 0 3 FFAF COc1cc(O)c2c(=O)c(O)c(-c3ccc4c(c3)OCO4)oc2c1OC 143800289 GRHOQGOODXGZLQ-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF CC/C=C\C[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCC(=O)O 238751721 VLLDKSJDBRLUOY-GBJMBIHYSA-N 350.455 2.905 0 1 FFAF Cc1cc(Br)ccc1OCc1nc2c(O)nc(S)nc2[nH]1 586981101 KSESGIXPAUJSIP-UHFFFAOYSA-N 367.228 2.997 0 1 FFAF Nc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccccc1 587653173 RFJLRKCVOFKEML-UHFFFAOYSA-N 365.780 2.506 0 1 FFAF Cc1cc(Br)cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 587259542 KCQGPHHBPLMWRX-ZDUSSCGKSA-N 373.254 2.975 0 1 FFAF CCOC(=O)c1csc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587452052 QGLQDNBXRUXAHM-ZMZPIMSZSA-N 359.403 2.991 0 1 FFAF Nc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1CC(=O)O 587248883 AQTPCYZMJQKUSG-UHFFFAOYSA-N 351.341 2.764 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)CC2=O 587482099 ZCRCHVZNJCEORC-ODXCJYRJSA-N 373.405 2.658 0 1 FFAF COC(=O)[C@H](OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797276 VYLVMIHSLDUPEB-IIRLODAESA-N 360.223 2.526 0 1 FFAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nc(S)nc2[nH]1 587151286 YCTIDRGZIKISOT-UHFFFAOYSA-N 360.349 2.693 0 1 FFAF O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1ccco1)C2 1772655100 FXLPQUALDKVGSE-UHFFFAOYSA-N 350.378 2.775 0 1 FFAF CC(=O)Nc1ccc(SCCN2CCN(CC(C)C)CCC2=O)cc1 13830399 CHUARRWMFFHDER-UHFFFAOYSA-N 363.527 2.927 0 1 FFAF Cc1nc2c([nH]1)CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 204682881 DIMUJWRLHCEJIF-WHCBVINPSA-N 350.438 2.886 0 1 FFAF Cc1ncccc1OC[C@@H]1CN(CCN2CCc3ccccc32)CCO1 205507414 DYMQPSSXRFHPQS-IBGZPJMESA-N 353.466 2.532 0 1 FFAF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccn1 1857761830 VTYOKNHJWMDEOX-UHFFFAOYSA-N 358.873 2.677 0 1 FFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 3906724 FHZKAOIKBMOIBL-HUUCEWRRSA-N 371.481 2.893 0 3 FFAF C=Cc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 29341535 FLVUYAPQRNSZDJ-UHFFFAOYSA-N 368.461 2.979 0 1 FFAF Cc1nc(C)c(CN2CCN(C(=O)CCc3ccccc3)CC2)nc1C 45497030 DFGZJZFGRLGLHR-UHFFFAOYSA-N 352.482 2.679 0 1 FFAF COc1ccccc1-c1nc2ccc(NS(=O)(=O)c3ccoc3)cn2n1 82081839 FBZDHSOZPFVJNV-UHFFFAOYSA-N 370.390 2.799 0 1 FFAF CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@H]5C[C@H]6C(=O)[C@@H]5[C@@H](C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 85493122 CWTDIQWAPGCRFL-DFNWTWBSSA-N 359.510 2.608 0 1 FFAF biogenic,in-vitro CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(C(F)(F)F)c1Cl 95565481 YWOHHICSGIELBM-VIFPVBQESA-N 352.715 2.735 0 1 FFAF CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386872 MLJUFZRPQJJVOU-RTWAWAEBSA-N 368.433 2.591 0 1 FFAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1 587019105 GGXHDIGGIJBZDU-UHFFFAOYSA-N 351.395 2.996 0 1 FFAF NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587016873 FNYPRNIPBRPULH-UHFFFAOYSA-N 360.420 2.518 0 1 FFAF CN(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)C(C)(C)N 1772605131 ILVVBRACIHIRHS-UHFFFAOYSA-N 367.493 2.886 0 1 FFAF CC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)NC2CC2)cc1 1857575482 NPVJUJFPPCBGFN-UHFFFAOYSA-N 361.423 2.553 0 1 FFAF C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1 6818757 GKQUNVHHSRCHOT-CHWSQXEVSA-N 350.484 2.607 0 3 FFAF O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)COc1ccc(F)cc1 29484890 ZYFLOWWLVRPERS-IBGZPJMESA-N 362.420 2.917 0 1 FFAF CN(C(=O)/C=C/c1cccs1)c1ccc(N2CCOCC2)c(C(=O)O)c1 64503805 GSVZBXDKMHDGCI-FNORWQNLSA-N 372.446 2.959 0 1 FFAF Cc1cc(C)c(/C=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)[nH]1 23247651 KPRPAVRAVIFJJL-AQTBWJFISA-N 350.466 2.724 0 1 FFAF CC=C1CN2CC[C@@]34C(=Nc5cc(OC)ccc53)[C@H]2C[C@H]1[C@H]4C(=O)OC 2356686496 ILYYHCVJSYAYRI-WMIGDMCZSA-N 352.434 2.862 0 1 FFAF Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)s2)cn1 72125847 AFUAPVPBZMERNC-UHFFFAOYSA-N 354.391 2.932 0 1 FFAF C=C(C)[C@@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@H](O)C3=O)O1 14650601 BXJXKUVJTJKXQK-GDIGMMSISA-N 354.358 2.655 0 1 FFAF biogenic COc1cc(N[C@@H](C)CCCNC(=O)NCCCO)c2ncccc2c1 43067465 REBRTQHYDOCHTF-AWEZNQCLSA-N 360.458 2.506 0 1 FFAF O=C(NCCNc1nccc(-n2ccc3cccnc32)n1)C1CCCCC1 1911583569 PKBOTMKNCSMERQ-UHFFFAOYSA-N 364.453 2.924 0 1 FFAF CC[C@@]12c3c4c5ccccc5n3[C@@](O)(C(=O)OC)C[C@@H]1CCCN2CC4 238777101 MCUPLASQAWQHIW-WVFSVQOHSA-N 354.450 2.737 0 1 FFAF COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C=C(O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C 33880212 IBDCZBYIEPTNQQ-YPEOIEPNSA-N 374.433 2.731 0 1 FFAF biogenic O=C(O)COc1ccc(NC(=O)C2(C(=O)Nc3ccccc3)CC2)cc1F 473083632 CDZYXEWZRLJZDH-UHFFFAOYSA-N 372.352 2.647 0 1 FFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587970620 LPUGQSIBFUBNNF-AYMMMOKOSA-N 364.663 2.614 0 1 FFAF C[C@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596271 QHCPVXCUTFAVFJ-HNAYVOBHSA-N 366.329 2.691 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003448 JZACIZTXJBPVKM-UHFFFAOYSA-N 363.200 2.653 0 1 FFAF COC1=COC(CO)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832288 JHRQRDKINRXGCV-JDNHERCYSA-N 370.218 2.712 0 1 FFAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC 587650821 UPRKPHFYETYJPZ-PTNGSMBKSA-N 364.467 2.599 0 1 FFAF CCn1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868483 MLYOVOSRNXZFPI-UHFFFAOYSA-N 365.315 2.877 0 1 FFAF CCOC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587800432 WZHSFVNRVGPLIE-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F 587134359 PEPBSPHHWUBWPK-UHFFFAOYSA-N 373.331 2.906 0 1 FFAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O 587446668 CZOKNLQFHQJKTP-KKSFZXQISA-N 350.370 2.911 0 1 FFAF CCOC(=O)[C@H]1CCc2ccccc2[C@@]12NCCc1c(C(=O)O)cccc12 963125284 SPZMQNNXTFKQEG-KNQAVFIVSA-N 365.429 2.900 0 1 FFAF COc1ccccc1NCCC(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 12600973 WVYFKIUQDUFWCQ-JYJNAYRXSA-N 362.470 2.981 0 1 FFAF O=C(O)CN1C(=O)[C@H](Sc2ccc(C(=O)O)cc2)CCc2ccccc21 53297261 HJCLATXFJKXQMB-MRXNPFEDSA-N 371.414 2.910 0 1 FFAF C[C@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@H]1n1ccnc1 27408328 SFBRKLVWZJVGLP-HQJQHLMTSA-N 351.156 2.549 0 1 FFAF COc1cc(OC)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 68206241 ZZLIJVBVBAQIIX-UHFFFAOYSA-N 356.426 2.659 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(Br)c(C)cc(O)c1OC 64453432 WPPXGSPIOUEOGW-NSHDSACASA-N 371.275 2.686 0 1 FFAF CCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28004026 KIRCILKHNTZTFS-UHFFFAOYSA-N 352.394 2.840 0 1 FFAF CC(=O)c1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1 29552697 XSSRYANYSFVELA-UHFFFAOYSA-N 371.780 2.878 0 1 FFAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(CO)c2)ccc1O 2356654886 OHOPKHNWLCMLSW-VZJWBNGJSA-N 358.390 2.674 0 1 FFAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5OC(C)=O 2356784638 PLBDWNDRQQBXTQ-FCMMAUQKSA-N 350.462 2.727 0 1 FFAF C[C@@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@@H]1n1ccnc1 27408316 SFBRKLVWZJVGLP-WRWORJQWSA-N 351.156 2.549 0 1 FFAF O[C@H](COc1cccc(-c2cnccn2)c1)CN1CCc2ccccc2C1 219737413 MXCZIEDIZSAYIF-FQEVSTJZSA-N 361.445 2.942 0 1 FFAF COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)CO2)[C@H]1CO1 38932163 DQKIVJKTAXWJRV-BISMJXLVSA-N 364.482 2.857 0 1 FFAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCC(C)C)ncnc21 82177967 ROGZDNDZEPPDRJ-UHFFFAOYSA-N 358.471 2.759 0 1 FFAF CC(=O)O[C@H]1CC[C@]2(O)Cc3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C 238769590 PWSFKAFOGDABJH-PRJZTOTKSA-N 350.411 2.847 0 1 FFAF CC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)CC1 95605495 QDTZYKUZPBBAAH-UHFFFAOYSA-N 364.785 2.735 0 1 FFAF COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)c1C 618015620 QGBBIIRLNFAAQC-YESZJQIVSA-N 373.497 2.750 0 1 FFAF COC(=O)[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 473135201 MKCWQWYIYCCVRR-GTNSWQLSSA-N 354.362 2.543 0 1 FFAF Cc1ccc(NC(=O)NC(=O)COc2nc3ccccc3nc2C)cc1 653837909 NURVXLHZKKLPAL-UHFFFAOYSA-N 350.378 2.974 0 1 FFAF Oc1nc(O)c2ccc(-c3c(O)cc(Br)cc3F)nc2n1 587367991 FJPOCPQFEKAGJL-UHFFFAOYSA-N 352.119 2.710 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O 587433054 MNNRVBJOSZQLHK-FKIZINRSSA-N 351.406 2.513 0 1 FFAF O=C(Nc1nc(Cc2nc3cnccc3[nH]2)cs1)c1cccc(O)c1 587018829 ABRWPKCVGPJRJV-UHFFFAOYSA-N 351.391 2.963 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CO)cc2[nH]1)C[C@@H]1CCCO1 587197170 KSOLUIHAOPFIQV-AWEZNQCLSA-N 361.442 2.971 0 1 FFAF Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649862 MACXUJDDKDNAEZ-UHFFFAOYSA-N 367.377 2.782 0 1 FFAF C[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccc2c(O)nc(O)nc2n1 587562449 AUJQEXDNGKUHDP-VIFPVBQESA-N 351.318 2.682 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587450042 LVTVGJRNEWRTEG-JZXQDRNDSA-N 370.401 2.661 0 1 FFAF COC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349094 PHTCSSVUDAMQPG-PKOBYXMFSA-N 360.337 2.750 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)S(C)(=O)=O)N1 587852270 ZLWZMRTXAMPZHF-AMIZOPFISA-N 364.280 2.987 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2n1 587784824 JVWXYLOYFMJHEW-CHWSQXEVSA-N 351.362 2.688 0 1 FFAF CC[C@]1(c2nc(C)c(S(N)(=O)=O)s2)NCCc2c1sc(C)c2C 963025562 ONORZWAZUXIMAV-HNNXBMFYSA-N 371.553 2.577 0 1 FFAF COc1ccc(N(C)C(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1 5004345 FJTZKLKCLOAWEJ-UHFFFAOYSA-N 363.373 2.814 0 1 FFAF C[C@@H](O)CNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 5890492 GMLUKWBSFRTUCR-SECBINFHSA-N 355.316 2.563 0 1 FFAF CS(=O)(=O)N1CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 13820286 BBRYPNMGNHHFCL-BVGQSLNGSA-N 359.495 2.511 0 1 FFAF NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1ccc1[nH]ncc12 14945803 PUNSFHAWASZDFO-UHFFFAOYSA-N 361.283 2.899 0 1 FFAF Cc1nc(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc12 1857629944 BBEJZRZNYAETCY-UHFFFAOYSA-N 362.433 2.875 0 1 FFAF C[C@@]1(c2nccc3cc4c(cc23)OCO4)O[C@H](O)c2c1ccc1c2OCO1 1857634481 XSKSWXVBZOKSJK-VQTJNVASSA-N 365.341 2.977 0 1 FFAF CC1C(=O)N(CCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O 102827017 RAKIUSJAEZPHHZ-UHFFFAOYSA-N 350.418 2.899 0 1 FFAF Cc1ccc(C)c(N2CCN(C(=O)Cc3c(C(=O)O)c(C)cn3C)CC2)c1 8607768 RGHUWNHTIQOJMF-UHFFFAOYSA-N 369.465 2.540 0 1 FFAF CCc1ccc(CCOc2ccc(C3=NO[C@@H](C(=O)OC)C3)cc2)nc1 103272590 HPOBTQNDJBOVCB-LJQANCHMSA-N 354.406 2.932 0 1 FFAF COc1ccc(C2=NC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1N 27441008 CDLJULDMUOQSLR-KRWDZBQOSA-N 358.394 2.821 0 1 FFAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@H]2NC(C)C 2356855176 RAGXZSGHNVCTKK-JWWGGVBKSA-N 368.562 2.863 0 1 FFAF Nc1ncc(-c2ccc(CN3CCOCC3)cc2)c(-c2ccccc2O)n1 71329397 JRWKQPCXTHOXAS-UHFFFAOYSA-N 362.433 2.931 0 1 FFAF CC(C)C(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cccc(O)c1 14728173 ZMADGMGPOXUDTA-QZTJIDSGSA-N 358.346 2.688 0 1 FFAF biogenic CCOC(=O)[C@@](O)(c1c(C)[nH]c2ccc(C(=O)OC)cc12)C(F)(F)F 71317718 JPWPCOAWTOCZSC-HNNXBMFYSA-N 359.300 2.576 0 1 FFAF C[C@H]1c2nnn(-c3ncccn3)c2CCN1C(=O)c1ccc(Cl)cc1F 225992565 YQGQAZLRHHTSGD-JTQLQIEISA-N 372.791 2.609 0 1 FFAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@@H]1OC)Cc1cc2ccccc2nc1-3 84689860 PVONOHMJERTQPO-SFTDATJTSA-N 364.401 2.526 0 1 FFAF COC(=O)Nc1noc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc12 143840879 GCYVNISCVXJLTH-UHFFFAOYSA-N 367.369 2.976 0 1 FFAF CC(C)(O)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@](O)(CO)C3 238785162 XDRGGLWZWWTJOH-JTZLQOMOSA-N 354.487 2.568 0 1 FFAF O=C(c1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143448533 GWKYCYMGYPEXAP-GOSISDBHSA-N 363.335 2.803 0 1 FFAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC[C@](O)(C(F)(F)F)C1 146427200 PKDOXNQAGIORSR-QGZVFWFLSA-N 370.371 2.887 0 1 FFAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N 95605247 PKQGPMLILUJFKM-LJQANCHMSA-N 370.840 2.945 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(CCOCC3CC3)[nH]c2c1 587783344 PCNCJVKCPGRJNI-UHFFFAOYSA-N 351.472 2.610 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc(Br)cn1)O2 587373197 RWZRKNVGULNUJK-HNNXBMFYSA-N 350.216 2.960 0 1 FFAF O=C(O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577740 ORNSPLVQUAORFM-YLJYHZDGSA-N 365.341 2.981 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3ncccc3c2[nH]1 586958238 GZBVXNPHPBEHPQ-GOSISDBHSA-N 368.418 2.580 0 1 FFAF CCOC(=O)/C(=C/N(C)C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427733 FRVJSJLDWZIBDF-GSXWEGFISA-N 373.449 2.846 0 1 FFAF C[C@@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589268 WVXOFBSSGDYPAL-LPHOPBHVSA-N 353.330 2.750 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587225103 NGHVSASCYFXEOL-UHFFFAOYSA-N 366.421 2.907 0 1 FFAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587430004 YMDZJAVHSFPBJK-ORAYPTAESA-N 358.321 2.570 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 587557261 HNOSGJAQYLVBRS-IBGZPJMESA-N 372.425 2.552 0 1 FFAF O=C(Nc1ccccc1N1CCCC1)[C@H]1CC[C@H](c2ccccn2)NC1=O 209289286 CTYDDGCCDRLNIQ-DOTOQJQBSA-N 364.449 2.888 0 1 FFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)NC(=O)c1ccccc1OCC1CC1)C2 597681 VFRIHPWRNNTKEX-MQVJKMGUSA-N 357.454 2.540 0 1 FFAF O=c1n(Cc2ccc(Br)cc2)nnn1-c1ccc(Cl)cc1 28647595 YNCNLALKIIPIBA-UHFFFAOYSA-N 365.618 2.893 0 1 FFAF O=C(N1CCN(Cc2ccccc2)CC1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101846167 IKEVKTRFXNQTKM-CDNGDFIJSA-N 354.494 2.662 0 1 FFAF CC(C)=C[C@@H]1c2[nH]c3cc(O)ccc3c2C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N21 2356462005 BLBXRRKAPHRFGY-KZNAEPCWSA-N 365.433 2.639 0 1 FFAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@H](OC(C)=O)CC[C@]2(C)c2ccccc21 2356490964 ARQVUVIODPKUNS-IPHXSNPTSA-N 372.417 2.789 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c(OC)c1 74377690 ZQBAFDGYJOUZJZ-WMZOPIPTSA-N 352.390 2.579 0 3 FFAF COc1ccc(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 72110961 OZGASTZOHHWYOH-DHDCSXOGSA-N 351.362 2.705 0 1 FFAF CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212117120 WFMLAIHVHPYLJJ-UHFFFAOYSA-N 372.425 2.782 0 1 FFAF COc1ccc2c(OCc3nnc4ccc(C(=O)O)cn34)ccnc2c1 139909461 RSPDZYUQHNOACI-UHFFFAOYSA-N 350.334 2.563 0 1 FFAF C[C@H]1c2cn[nH]c2C(=O)[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49035486 MXCHFWLKPVDOPC-DTWKUNHWSA-N 373.356 2.765 0 1 FFAF CCCOc1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 95595656 ZZMIPZLRKFEGIA-RMKNXTFCSA-N 353.422 2.535 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 95895167 YTHFCMMKVCIUDY-UMAZWAKHSA-N 365.477 2.693 0 1 FFAF Cc1cccc(C)c1NC(=O)[C@]1(C)CCC(=O)N1CCCn1ccnc1 95599641 XYRIPMRKWMBHJJ-FQEVSTJZSA-N 354.454 2.910 0 3 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 253917762 LROJDEYJWCCVCX-OWCLPIDISA-N 372.471 2.673 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 586928236 ZRNPKPQFJCKKKT-UHFFFAOYSA-N 352.213 2.791 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587231401 NWIXAVSALIWIGC-VHSXEESVSA-N 354.813 2.787 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@H]2CCO)N1 587762309 SHSWIZKYTCUJQV-CJBNDPTMSA-N 371.294 2.652 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1cnccn1)([C@H](C)C(=O)OC)CC2=O 587490067 OJBISMQVDKWKKY-MPBGBICISA-N 370.405 2.805 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)[C@H](C)C2=O)N1 587763393 YHYWLFHMBSOSRO-XIZWVBILSA-N 353.235 2.734 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)nc2[nH]1 586962526 FUQDYTFMNVEOOO-LLVKDONJSA-N 359.411 2.792 0 1 FFAF CCOc1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)cc1OCC 587669355 KFJATNZOGNYZNP-UHFFFAOYSA-N 368.389 2.946 0 1 FFAF COC(=O)C[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587513039 ABJODOLQTQKPDG-FQEVSTJZSA-N 352.390 2.779 0 1 FFAF COCCCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963547217 AEDOFHYPZCXTTH-ICSRJNTNSA-N 371.433 2.804 0 1 FFAF CCO[C@@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 13308654 PPRSMUWPTLLGMJ-KLSHDWIQSA-N 358.346 2.516 0 1 FFAF endogenous,in-man O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13534209 YDUYOCIXWLWORE-XLIONFOSSA-N 366.452 2.816 0 1 FFAF CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 169296633 HHSFJHANGGIQHQ-BBTHKVSRSA-N 356.466 2.752 0 1 FFAF CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]12C[C@H](OC)[C@H]3C[C@]14[C@@H]2C3=O 169668598 KTRDIFVAXQUGKI-HSRLMCCSSA-N 371.521 2.752 0 1 FFAF Cc1cncn1[C@H](C)C(=O)NCc1cccnc1[C@H]1CCCN(C)CC1 1857535298 LCFCRUDLPGTLCB-SJORKVTESA-N 355.486 2.663 0 1 FFAF O=C1CC([C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 1646954 GNUPHLQTBKINMV-LJQANCHMSA-N 353.418 2.841 0 1 FFAF C[C@@H]1SC(=O)NN=C1c1ccc2c(c1)C1(SCCS1)C(=O)N2 3787507 JXDFPUSSHDJUMY-ZETCQYMHSA-N 351.478 2.821 0 1 FFAF COC(=O)C=C(C)CCC=C(C)CC[C@@H](OP(=O)(O)O)C(C)(C)O 2356308919 JDMJTZPURCXYDX-CQSZACIVSA-N 364.375 2.861 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)[C@H](O)C(=O)CC(C)=C[C@H](C)[C@H](O)C(C)=C[C@@H]1C 2356518355 NSIYKHMKVAGRQL-IPLFTVDVSA-N 352.471 2.804 0 1 FFAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 2356583604 AESIFKLOXJZGEK-PMACEKPBSA-N 365.477 2.597 0 1 FFAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)cc(C)cc2c1OC(C)=O 28871779 CVKHJWJWCFKSSJ-UHFFFAOYSA-N 374.345 2.849 0 1 FFAF O=C(CN1CCCCC1)Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 33823692 OQPREWHWFAHSRK-JOCHJYFZSA-N 363.461 2.873 0 1 FFAF CN1C[C@@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CCC1=O 71317271 BNPTZRKICZEZPR-YNFBMLRVSA-N 370.493 2.534 0 1 FFAF CCCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)c1nc2ccccc2o1 82064860 KBMCKKGPDCOUGO-RDJZCZTQSA-N 373.453 2.846 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](CO)C3)cs2)c1 82081236 CKKGOLPHMBTHLX-GFCCVEGCSA-N 362.451 2.672 0 1 FFAF CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95894051 WLJHDKMSTGEMPM-QYZOEREBSA-N 369.396 2.553 0 1 FFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@H](O)C1 144752678 WSMVTDZAYFZQIP-SGTLLEGYSA-N 363.335 2.672 0 1 FFAF CC1=C[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)C=CC[C@@]2(C)O[C@H]2CC1 299813527 GCLSWSUESVZTIE-IOXPTURASA-N 350.455 2.608 0 1 FFAF Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCC3)c2nc1O 473108252 LMYACVSXHDFORQ-IAGOWNOFSA-N 356.470 2.993 0 1 FFAF COc1ccc(-c2nc(N(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1 299841302 ZCNIKNHPFPJOGM-UHFFFAOYSA-N 350.378 2.842 0 1 FFAF O=C(C[C@@H](CO)c1cccc(OCc2ccccc2)c1)N1CCOCC1 473154600 IZHOVCFZMCUERO-IBGZPJMESA-N 355.434 2.590 0 1 FFAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1 586929059 AGJVNJXSYRLIMS-UHFFFAOYSA-N 364.736 2.878 0 1 FFAF CN(Cc1nc2ccc(Cl)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170837 TXVOAQLGODSBCC-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF CNS(=O)(=O)c1ccc(CCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 586946323 KCHUKRGOONJMAK-UHFFFAOYSA-N 364.858 2.613 0 1 FFAF CC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468815 IWQMMQGFNOIXBI-LTBCBRHQSA-N 353.418 2.768 0 1 FFAF COc1nc(OC)nc(Sc2ccc(Br)cc2C(=O)O)n1 1857591024 XCBIQQZWMAGVFH-UHFFFAOYSA-N 372.200 2.501 0 1 FFAF Cn1ncc2c(NC3CCOCC3)nc(Nc3ccc(F)c(F)c3)nc21 1772654239 HZUIWKHPCXIDRX-UHFFFAOYSA-N 360.368 2.976 0 1 FFAF CN(C)c1cc2c(cc1Cl)c(=O)c1c(C(F)(F)F)nn(C)c1n2O 14959823 QQJKJYDGQYMYGX-UHFFFAOYSA-N 360.723 2.864 0 1 FFAF O=C(NCCc1cccs1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 14999953 MDYLQCVXINRAPQ-QGZVFWFLSA-N 358.419 2.523 0 1 FFAF Cc1nc(O)c2cc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)ccc2n1 1857636109 IYMNFBYQUDDSMH-CYBMUJFWSA-N 369.352 2.767 0 1 FFAF C[C@H]1c2cc(-c3ccc(C=C4NC(=S)NC4=O)s3)ccc2C(=O)N1C 1857742575 VLKCCKQSDNGREY-VIFPVBQESA-N 369.471 2.907 0 1 FFAF COc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)cc(OC)c1 767458 ONCFFRDUTXNYAY-OAQYLSRUSA-N 368.433 2.803 0 1 FFAF O=C1N(c2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1ccccc1 1625509 GWUSSCXWEWTJSD-FCHUYYIVSA-N 372.380 2.863 0 1 FFAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4051588 ZAABBSDFYRKRDR-UHEFJODHSA-N 356.422 2.895 0 1 FFAF CNC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 6841897 RHSJPZFENGZARU-NSHDSACASA-N 351.834 2.505 0 1 FFAF Cc1nn(CC(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1Cl 103220294 LLIVKOQDMKJDHT-UHFFFAOYSA-N 373.784 2.834 0 1 FFAF CNC(=O)[C@@H]1C[C@@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1 20914035 FNRYWLKEXOSFDH-XWNPLTJSSA-N 367.537 2.790 0 1 FFAF O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccccc2F)CC1 53420261 VGQSZAWVSOVRSM-SFHVURJKSA-N 362.420 2.522 0 1 FFAF COc1ccc(CCN2C(=O)CC(=O)N(CCc3ccccc3)C2=O)cc1 102843869 NRBRWFADFZINOI-UHFFFAOYSA-N 366.417 2.661 0 1 FFAF CCNC(=O)Nc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC 116343905 LXJOHWMGBARELU-UHFFFAOYSA-N 360.418 2.707 0 1 FFAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(S(=O)(=O)c3ccccc3)C1)C2 2356621307 VYUOUZNYHQOPRC-RDJZCZTQSA-N 370.474 2.689 0 1 FFAF CC(C)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 49112289 ANAAVHLLZPPWCU-UHFFFAOYSA-N 362.437 2.942 0 1 FFAF COc1ccc(CNc2nc(N3CCCN(C)CC3)ncc2C)cc1OC 82202839 CFALXJIEWNAZRB-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF c1cc2c(cc1O[C@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]31)OCO2 43065140 ZZMNWJVJUKMZJY-UYVJDWJCSA-N 370.357 2.883 0 1 FFAF in-man Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)co1 82070833 YDZVFNUERCWMJD-CQSZACIVSA-N 373.453 2.652 0 1 FFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCCSC 82219730 LBORRRXNGFKXHD-IDVSTWMWSA-N 356.532 2.608 0 1 FFAF CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(=O)[nH]c1=O 84670480 SDPMYZMMNOKVFX-UHFFFAOYSA-N 367.243 2.501 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 195501452 GPBCQGAAWLZWIS-LVWZXKFCSA-N 369.483 2.863 0 1 FFAF CC(=O)N[C@H]1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)C1 82203718 FOFSYGKNTYIHCH-SFHVURJKSA-N 351.454 2.732 0 1 FFAF Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)oc1C 145068461 IWSPMIPTDFBWCX-ZIAGYGMSSA-N 369.425 2.737 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=CC[C@H](O)[C@@H]32 238761664 ITUZNSCWKHPONF-YXCOEGSBSA-N 358.390 2.534 0 1 FFAF CCOc1ccc(NC(=O)[C@H]2OC(c3cccs3)=NN2C(C)=O)cc1 299852215 OWWSUBDLKVLHGG-QGZVFWFLSA-N 359.407 2.652 0 1 FFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc[nH]c(=N)c2[nH]1 586983838 DDJFPHOSNPAJCB-ZDUSSCGKSA-N 374.242 2.553 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCOC(C)=O)c1)CC2=O 587476234 QRTBCTFCUUEWPX-GOSISDBHSA-N 358.394 2.811 0 1 FFAF COc1cc(C(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587397821 BRQMXLKOJMPMLJ-HNNXBMFYSA-N 357.362 2.999 0 1 FFAF COC(=O)c1cc2nc([C@@]3(N)CCOC3)[nH]c2c(F)c1Nc1ccccc1 587248388 OPNWDNXNLDQLCM-LJQANCHMSA-N 370.384 2.807 0 1 FFAF CN1CCN(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586988018 KRETWNNJCWOHFI-UHFFFAOYSA-N 373.456 2.942 0 1 FFAF Nc1ncnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587183902 KWKRILFHTCKXLY-UHFFFAOYSA-N 371.569 2.860 0 1 FFAF CCn1nc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962971299 HPZAMUJLEUDLGT-WFASDCNBSA-N 355.772 2.831 0 1 FFAF C[C@@]1(c2ccc(N)c(N)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971001 RZEHMFYGMGQLPM-DYVFJYSZSA-N 367.783 2.645 0 1 FFAF Cc1nc(N)sc1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759115 AUPHSVNUPMMLMZ-IAQYHMDHSA-N 355.385 2.943 0 1 FFAF COc1cc(C(=O)N[C@@H](CO)c2ccccc2F)ccc1-c1cn[nH]c1 1772581640 YSVQULSJUHTXBG-KRWDZBQOSA-N 355.369 2.688 0 1 FFAF CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)O 14686839 IQSFEAHJUMVILC-SZPBBQQKSA-N 370.449 2.612 0 1 FFAF biogenic,in-vitro O=C(O)Cc1ccc(=O)n(Cc2nc3cc(C(F)(F)F)ccc3s2)n1 605745 HJYHQUAVPCYWBM-UHFFFAOYSA-N 369.324 2.547 0 1 FFAF Cc1cc2c(o1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(O)S2(=O)=O 28099619 GRAPYKNKVFVSSN-UHFFFAOYSA-N 370.770 2.500 0 1 FFAF COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccoc3)C2)CC1 61969213 UDKCUXHIRQCQOZ-GOSISDBHSA-N 369.465 2.715 0 3 FFAF CC(=CCc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2=O)CO 2356496472 VPCRIHAWNUNORJ-MRXNPFEDSA-N 356.374 2.643 0 1 FFAF CC(C)NC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 27517412 VKIJUPCSSYZIAR-ORQFMDKSSA-N 358.438 2.721 0 1 FFAF CC1=Nc2nc(-c3ccccc3Cl)nn2[C@@H](c2ccccn2)[C@H]1C(N)=O 61878090 MDUIRKOCSDEHKJ-GJZGRUSLSA-N 366.812 2.790 0 1 FFAF CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H]2CCCN2C1=O 2386767 GLWYBXPXOSKQAW-RTBURBONSA-N 351.450 2.709 0 1 FFAF biogenic COc1cc2c(cc1O)CCN(C)[C@@H]2[C@H]1OC(=O)c2c1ccc1c2OCO1 14414503 IDRRBLYLLIIGSH-ROUUACIJSA-N 369.373 2.570 0 1 FFAF biogenic CC[C@]1(O)c2ccccc2Oc2cc(C(=O)N3CCN(C)CC3)ccc21 45358204 GPPGJUHNRJFPKX-NRFANRHFSA-N 352.434 2.826 0 1 FFAF CN1CCN(c2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)CC1 147505544 OCXSOTFEXWXIDJ-UHFFFAOYSA-N 373.464 2.622 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@](O)(CF)c4ccccc43)c(F)c2)cn1 95594673 GSNNQQBRBAXDSU-FQEVSTJZSA-N 369.371 2.930 0 1 FFAF O=C(OCC(F)(F)F)[C@H]1C[C@H](C(=O)c2ccc(F)cc2)N2N=CC=C[C@@H]12 96914607 PFQRHFJNTNTHGY-MELADBBJSA-N 370.302 2.729 0 1 FFAF COC(=O)C1=COC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12 33832915 SDFSXHNINVZAOL-ODYMNIRHSA-N 368.433 2.799 0 1 FFAF biogenic CC(=O)N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 587217574 XFSMFGRHIORHKP-NSHDSACASA-N 359.480 2.659 0 1 FFAF CNC(=O)[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386853 MCPVFVNCFOVSMX-XIKOKIGWSA-N 354.406 2.797 0 1 FFAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 12917243 LMFDKCSDDVFKPH-LZWOXQAQSA-N 374.510 2.795 0 1 FFAF COc1ccnc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 13746107 BMQIBDSKDKZQRI-VWLOTQADSA-N 356.451 2.650 0 1 FFAF COc1ccc(NC(=O)CSc2nnnn2[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 169298032 FGQLRTRSYCXMCD-JMSVASOKSA-N 357.439 2.550 0 1 FFAF Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 169685431 WMJNGKAPGOFTSV-XJKSGUPXSA-N 374.416 2.612 0 1 FFAF CC(C)CCNC(=O)c1cnc(NC(=O)N2Cc3ccccc3C2)cn1 167575089 VYLMQEIGENJVSS-UHFFFAOYSA-N 353.426 2.800 0 1 FFAF N=c1[nH]c2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2[nH]1 1857596633 NNHSBDAUBQXNBD-UHFFFAOYSA-N 351.797 2.741 0 1 FFAF O=C(c1ccccc1)N1CCC(N2CCc3ccccc3[C@H](O)C2)CC1 1857647131 PTSAIMNAHINXFZ-OAQYLSRUSA-N 350.462 2.883 0 1 FFAF CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1OCC 18062637 CEMDJRXKJDUJQM-QXGSTGNESA-N 355.434 2.834 0 1 FFAF COc1ccccc1N1C(=O)N(C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C 1214473 BEKBGNHWZFKNBX-ZWKOTPCHSA-N 352.394 2.698 0 3 FFAF O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2=COCCO2)o1 4107235 TYSOYXAZUQDJLE-UHFFFAOYSA-N 372.164 2.739 0 3 FFAF C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)C1 4850675 WNUKQNDDUSDTPT-IHRRRGAJSA-N 362.495 2.750 0 1 FFAF NC(=O)O[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccccc1 118070342 KMPZINBUQUOENH-SFHVURJKSA-N 354.454 2.820 0 1 FFAF CCC/C(C(=O)NCCO)=C1/c2ccccc2C(=O)N1c1ccccc1 61949570 QVZZYAMMPBPZPW-VHEBQXMUSA-N 350.418 2.967 0 3 FFAF COc1cc(O)c2c(=O)oc(Cc3cc(O)cc(O)c3C(C)=O)cc2c1 2356860272 UDNRRTYWORVLAP-UHFFFAOYSA-N 356.330 2.712 0 1 FFAF O=c1c(CN2CCCC2)cc(CN2CCCC2)cc(CN2CCCC2)c1O 64251730 RNHLYMGJTHWMPL-UHFFFAOYSA-N 371.525 2.540 0 1 FFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2n1 38278802 MVWCJZHWFGCEHO-SFHVURJKSA-N 352.438 2.531 0 1 FFAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 45286487 WSFPEOPUUJFNEF-DXBBTUNJSA-N 371.569 2.967 0 1 FFAF O=C1c2cc3c(cc2OCN1CCc1cccs1)C(=O)N1CCC[C@H]1O3 72174928 VJAKUZCZNBHHGY-QGZVFWFLSA-N 370.430 2.737 0 1 FFAF CCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21 45389267 IVPJEINTAYGTFN-UHFFFAOYSA-N 356.861 2.822 0 1 FFAF Nc1ncc(-c2cccc(-n3cccn3)c2)cc1C(=O)Nc1ccnnc1 149994395 GIWAUMWDROOOBY-UHFFFAOYSA-N 357.377 2.559 0 1 FFAF COC(=O)[C@@]1(C)CCC[C@]2(CO)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](O)[C@@H]12 238764727 QTHYZUFIFBJEJE-PNWNZRMGSA-N 362.466 2.894 0 1 FFAF C/C=C1\CN2CCc3c4n(c5ccccc35)[C@](OC)(C(=O)OC)[C@H]1C[C@@H]42 238741243 RVSIIJMBBKAXBL-MYQLQQNXSA-N 352.434 2.993 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175169 ZADIMWTYDQIIES-BLLLJJGKSA-N 371.437 2.894 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 586946226 VBBNDGIJTUDXAH-UHFFFAOYSA-N 363.439 2.968 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(=O)O)c(F)cc3[nH]1)C2 587247515 SYFPQLNPBSLBLG-LJQANCHMSA-N 355.369 2.752 0 1 FFAF Oc1nncc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182527 IRPKAEYRTQBKKN-UHFFFAOYSA-N 372.553 2.984 0 1 FFAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)s1 587013747 BUHGANFGXNUCMQ-SECBINFHSA-N 366.468 2.740 0 1 FFAF COc1nccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587234650 SHVLTAZJLYITGN-UHFFFAOYSA-N 360.414 2.830 0 1 FFAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/C=C1/N(C)c2ccccc2C1(C)C 3212352 NAGMYLVLKKXLBY-VUYRMCIOSA-N 357.457 2.668 0 1 FFAF COc1ccccc1N1CCN(CCCCN2CS[C@@H](C)C2=O)CC1 13759343 BOYYCGOYSQSWQQ-INIZCTEOSA-N 363.527 2.519 0 1 FFAF COc1ccc2c(c1)CCN(C(=O)CNC[C@@H](C)O)[C@@H]2C1CCCCC1 201361192 OEPVNHUUYBLDMV-QVKFZJNVSA-N 360.498 2.672 0 1 FFAF CCNC(=S)NCCCCCCn1nc(-c2ccccc2)ccc1=O 27208425 CIPZAVUOMHOXNG-UHFFFAOYSA-N 358.511 2.955 0 1 FFAF N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@]1(F)C(=O)O 29124536 HVYIQBGXHPRJMO-DBVUQKKJSA-N 371.364 2.909 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 2356442589 JDVAFOKXJXFBCK-SBHAEUEKSA-N 370.424 2.669 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1C[C@]3(CCN1CC2)CN(C(C)C)C(=O)O3 29220643 XCTYFHYYFLYPDF-OXJNMPFZSA-N 360.454 2.996 0 1 FFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@H](O)C1 144753061 WSMVTDZAYFZQIP-KPZWWZAWSA-N 363.335 2.672 0 1 FFAF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)Cc1ccccc1 98085008 JPWFMOCBFVINHR-SFHVURJKSA-N 357.450 2.868 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)[C@H]1CC=C[C@@]23O 96933107 NCBODEBWXNRTHV-ARICWDBBSA-N 358.390 2.534 0 1 FFAF COC[C@H](O)[C@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255216375 HIZZPDXONVQBAA-WLAWTKBUSA-N 362.510 2.969 0 1 FFAF O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2CN(CC3CC3)CCO[C@@H]2C1 299841759 FDKUDFCHXRRHLU-AZUAARDMSA-N 353.466 2.741 0 1 FFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(O)n1 587865996 SEMJAHJNPKTDEZ-UHFFFAOYSA-N 351.288 2.847 0 1 FFAF CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573272 SMZGWPLUNSTQHI-FNHZYXHNSA-N 371.345 2.811 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3ncccc3c2[nH]1 586958241 GZBVXNPHPBEHPQ-SFHVURJKSA-N 368.418 2.580 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620302 XXUIOSLKHZCLJC-ODYMNIRHSA-N 372.398 2.629 0 1 FFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c[nH]1 587061636 WPWVSXICEXDEGQ-UHFFFAOYSA-N 373.207 2.560 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 587230140 FMIQADNSZCFQJH-STQMWFEESA-N 361.442 2.617 0 1 FFAF O=C(NCc1nc2cc(Br)cc(F)c2[nH]1)c1cscn1 587028831 ZPZSNAVKAICHSG-UHFFFAOYSA-N 355.192 2.851 0 1 FFAF Cc1csc([C@](O)(Cc2nc3ccc(CCO)cc3[nH]2)C(F)(F)F)n1 587093427 DVOPPYRJDKXXDV-OAHLLOKOSA-N 371.384 2.855 0 1 FFAF COCCOc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772574983 ANQRPBNHSKJQGO-KRWDZBQOSA-N 371.433 2.787 0 1 FFAF CO[C@H]1c2ccc(O)cc2OC[C@H]1N1CCC(O)(c2ccc(F)cc2)CC1 13779264 REKPFQRGKMYOPA-QUCCMNQESA-N 373.424 2.963 0 1 FFAF CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCCC1 201483408 NELJXZZAYLFJAG-IIBYNOLFSA-N 374.481 2.629 0 3 FFAF O=C(Oc1ccccc1)N1CCN(CCn2ccc3cnccc32)CC1 1857630542 ZZRUIWOJGVJVBE-UHFFFAOYSA-N 350.422 2.853 0 1 FFAF NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 8083998 IMRMBJIRMXYUPW-HNNXBMFYSA-N 364.854 2.795 0 1 FFAF c1ccc(N2CCN(CCCNC3=Nc4ccccc4OC3)CC2)cc1 26475543 YYAHKCMGTOAAMI-UHFFFAOYSA-N 350.466 2.911 0 1 FFAF COc1ccccc1CN1C[C@H](F)[C@H](OCc2nc3cnccc3[nH]2)C1 2356302377 TZBNMUXUIASPAN-KBXCAEBGSA-N 356.401 2.706 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2c3c(ccc21)ncn3Cc1ccccc1 28021164 PSQDDJJIYBUHHQ-UHFFFAOYSA-N 362.433 2.754 0 1 FFAF CCCc1cc(=O)[nH]c(-c2cccc(CN3CCN4CCC[C@@H]4C3)c2)n1 20536145 PIFBHUYNBOSBTN-LJQANCHMSA-N 352.482 2.669 0 1 FFAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccco3)CC(=O)N21 16041105 XRWKSJWSNUPEHA-QGZVFWFLSA-N 363.417 2.792 0 1 FFAF biogenic Cc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(C)c1C 72110011 WODJHXZGNNZDRK-UHFFFAOYSA-N 360.435 2.909 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 95798039 PTKQWCOSPHHWRV-FLFQBHDJSA-N 362.473 2.891 0 1 FFAF N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2ccc(-c3ccccc3)cc12 146787422 UTAGYFGEPUYWLP-UHFFFAOYSA-N 361.357 2.684 0 1 FFAF C=CS(=O)(=O)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1 618020208 KKMJHUOOLRQEGG-UHFFFAOYSA-N 350.362 2.935 0 1 FFAF Cc1ccc(-n2nc3n(c2=O)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1 299852675 WAVRSUOPDIPMIO-UHFFFAOYSA-N 368.824 2.652 0 1 FFAF N=C1N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@@H]2C[C@@H]2O1 473194452 HMEVXGWCKDIWSV-UWWQBHOKSA-N 363.339 2.627 0 1 FFAF Nc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccc1 653670672 WQVBIOHQVUYFGX-UHFFFAOYSA-N 360.373 2.710 0 1 FFAF Oc1nc(O)c2nc(COc3ccccc3C3SCCS3)[nH]c2n1 587043334 KSSPYYHHVAXBMR-UHFFFAOYSA-N 362.436 2.822 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1sc(N4CCOCC4)nc1C)[C@@H](C2)C3=O 587453728 YSYCHMANTAIVCZ-GUYCJALGSA-N 372.446 2.785 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587443140 UOMGUOBRHYLNHU-YWZLYKJASA-N 354.358 2.821 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCC(=O)O)[C@@H](C2)C3=O 587440651 PSWXPDGJIMAWBE-ORAYPTAESA-N 370.357 2.656 0 1 FFAF CN(Cc1ccccc1)C(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894167 IBMOTDIZEUGBOG-GHTZIAJQSA-N 370.424 2.689 0 1 FFAF CN1CCN(S(=O)(=O)c2ccc(N3CCC=N3)cc2)c2ccccc21 224179439 GJESZOSTILOBLJ-UHFFFAOYSA-N 356.451 2.528 0 1 FFAF CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 169306617 NNRKKHWCMVOSSS-UHFFFAOYSA-N 350.403 2.862 0 1 FFAF COc1ccc(OC)c(CCOc2ncnc3sc4c(c23)CCNC4)c1 1857569931 LVDWSOMDHKCEDX-UHFFFAOYSA-N 371.462 2.976 0 1 FFAF c1nc2c(s1)CCN(CCCCN1CCc3ncsc3CC1)CC2 1857571087 XWOWUPZMWGTZIJ-UHFFFAOYSA-N 362.568 2.881 0 1 FFAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2o1 1857757175 BHNDMGQPAMXRPP-HNNXBMFYSA-N 355.394 2.627 0 1 FFAF Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@H](C)O[C@H]2CC(=O)CC(C)(C)O 2356405674 ALRKYRPHRIVAMM-QRTLGDNMSA-N 366.410 2.788 0 1 FFAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C[C@H]([C@](O)(CO)[C@@H](O)CO)C[C@H]12 2356337637 YYLNWEORJBWPMV-XBWRGPFISA-N 354.531 2.722 0 1 FFAF O=c1ccc(-c2ccccc2)nn1CCNC(=S)NC1CCCCC1 27213711 UOGOISGQVRTPTM-UHFFFAOYSA-N 356.495 2.707 0 1 FFAF O=c1oc2ccc(Cl)cc2n1CCCN1CCN(c2ccccn2)CC1 103167705 FPGBOBJIMNJVJQ-UHFFFAOYSA-N 372.856 2.855 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(C)c4C)C[C@H]3C2)n1 116825649 LVLRJZJKZYIJOH-ROUUACIJSA-N 350.466 2.919 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2cn(C[C@@H]3CCc4ccccc43)cc21 26575346 DRMYLCIQBOMGHW-INIZCTEOSA-N 351.450 2.888 0 1 FFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)CC1CCCC1 61904998 KSMYGLSLFKJDHC-HXUWFJFHSA-N 358.438 2.968 0 3 FFAF COC[C@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@@H]1C)C[C@H](O)[C@H]2C 2356678470 IGUFYHFJOVSYRH-SKAKHVGUSA-N 350.499 2.680 0 1 FFAF COc1ccc2c(c1OC)[C@@H](c1ccc3c(c1)OCO3)C1=C(COC1=O)C2 6018945 URJOZSLMTIRWFW-QGZVFWFLSA-N 366.369 2.974 0 1 FFAF biogenic CC(=O)c1cccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)c1 73223157 HBESLNGLGWHLLL-UHFFFAOYSA-N 361.449 2.833 0 1 FFAF Cc1cccc2nc(N3CCN(CCn4ccnc4)CC3)c3cccn3c12 45302229 PJNPXONFXSTOIP-UHFFFAOYSA-N 360.465 2.815 0 1 FFAF O=C(c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1)N1CCCCC1 82140721 OTRGHJCUZDVGGM-UHFFFAOYSA-N 370.428 2.745 0 1 FFAF CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 238761677 OHMAVTDVTQMMMR-CEOASOTHSA-N 350.411 2.714 0 1 FFAF endogenous,in-man C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(OC)cc14 238759587 CWRHADRMQPQCJO-ZSLDGBIMSA-N 352.434 2.840 0 1 FFAF O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)Oc1ccccc1 377829947 PECPWPNVAUBOLH-UHFFFAOYSA-N 355.761 2.532 0 1 FFAF Oc1nc2cc3nc(-c4cnn5cc(Br)cnc45)[nH]c3cc2[nH]1 587008108 HJYVSHHTWFCPLY-UHFFFAOYSA-N 370.170 2.617 0 1 FFAF COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 587038439 SYTDVETWTCZPNS-SECBINFHSA-N 370.438 2.714 0 1 FFAF O=C1C[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587530880 WHVWEFTWTHXDRL-WLBNLIMCSA-N 370.401 2.711 0 1 FFAF NS(=O)(=O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587078736 APSDLTIKSUXHMR-UHFFFAOYSA-N 360.826 2.867 0 1 FFAF Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587745468 JSEKHWCNOOESPJ-WJWGPLDTSA-N 351.223 2.723 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H]3CCOC3=O)c1)O2 587411763 KCKPAZYZTNKIQL-ZWKOTPCHSA-N 353.374 2.978 0 1 FFAF O=C(Nc1ccccc1F)c1cc2n(n1)CCCN(C(=O)c1ccco1)C2 1772624997 LMQPAMBIKLEQEN-UHFFFAOYSA-N 368.368 2.914 0 1 FFAF Nc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 116255411 XBSUTDVKJQPBMD-JOCHJYFZSA-N 370.412 2.995 0 1 FFAF CC1(C)C(=O)C(C)(C)C12SC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 103948558 BSZGZXJPWCSXJO-KGLIPLIRSA-N 357.475 2.909 0 1 FFAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@H]1CC(=O)CCN1C2=O 116942702 JPQHWVMPDWHADQ-OAHLLOKOSA-N 350.378 2.894 0 1 FFAF COC(=O)C1=CN[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 2356500164 QRQPCYRAKCACCD-SKTNGFFKSA-N 351.450 2.752 0 1 FFAF COc1cc(O)c2c(c1)O[C@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O 2356500349 URESVQATQYONNI-OALUTQOASA-N 358.346 2.633 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CCC(=O)[C@@]3(C)CC[C@@H](O3)[C@@H](CC1)C(=O)O2 2356825084 HBTAJGAWUIDLHK-NGTQAZIISA-N 350.455 2.942 0 1 FFAF COc1ccc([C@@]2(C3CCCCC3)N=C(N)N(C3CCOCC3)C2=O)cc1 218701250 PUTUTRXGZDKHGL-OAQYLSRUSA-N 371.481 2.807 0 1 FFAF CCc1c(C)[nH]c2cc(OCCN3CCOCC3)c(Cl)cc2c1=O 73224330 OAZFPOXLDQKHGR-UHFFFAOYSA-N 350.846 2.763 0 1 FFAF COCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1 653801370 ZIHAQPDNWDFHCS-UHFFFAOYSA-N 372.513 2.936 0 1 FFAF COC(=O)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586993219 VCTOXHVNNZAGDB-CYBMUJFWSA-N 373.364 2.924 0 1 FFAF Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F 587171345 WKUWOZOXFWADGM-UHFFFAOYSA-N 351.378 2.970 0 1 FFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587930653 FKTRQZHZRPENDQ-FZKQIMNGSA-N 357.435 2.664 0 1 FFAF Cn1cc(-c2cccc(F)c2F)c2ccc(C(=O)NS(C)(=O)=O)cc21 1857571927 XBOOMOJPCVTGEG-UHFFFAOYSA-N 364.373 2.813 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356399468 WHGSMDTWNZJGPS-AYBZRNKSSA-N 370.449 2.520 0 1 FFAF Nc1nc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n[nH]1 27650637 NEKSUNNGESTBDF-KRWDZBQOSA-N 368.872 2.952 0 1 FFAF C[C@H](CCc1ccccc1)NC[C@H](O)c1cc(C(N)=O)c2c(ccn2C)c1 25969562 IIVGKARVLHONDS-QRWLVFNGSA-N 365.477 2.922 0 1 FFAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 25967754 VTMOQECMEVAMGR-INIZCTEOSA-N 360.454 2.554 0 1 FFAF CN1c2ccccc2N(C(=O)CN2CCCC2)c2ccccc2S1(=O)=O 28765802 KHZPMADCDXAXGK-UHFFFAOYSA-N 371.462 2.586 0 1 FFAF COC(=O)[C@@H]1c2cc(C(=O)O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12 2356643392 RLVRXRFSOZQLOI-VVVONTASSA-N 360.406 2.892 0 1 FFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCNC[C@@H]1CCc2ccccc2O1 73277198 ZWHWNKJCWDLNRI-ROUUACIJSA-N 371.481 2.567 0 1 FFAF Cc1ccc(-c2nc3cc(NC(=O)CN4CCN(C)CC4)ccc3[nH]2)cc1 72108793 CDEMEYDMAVRAGW-UHFFFAOYSA-N 363.465 2.724 0 1 FFAF CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205699 GCQSKJJAMIGKFY-HZPDHXFCSA-N 370.453 2.647 0 1 FFAF Cc1c(-c2ccc(C(=O)N(C)C)cc2)c(=O)oc2c(C=O)c(O)ccc12 221058888 RYCWWEDAMVVPKN-UHFFFAOYSA-N 351.358 2.988 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccc(OC)cc34)C(=O)C[C@@H]1[C@H]2CO 197879732 MFJKLERWGHCFMH-WGRGEXIDSA-N 354.450 2.790 0 1 FFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cn3ncsc3n2)n1 221130568 MOQPPMDZZVFJDJ-ZYHUDNBSSA-N 373.442 2.735 0 1 FFAF COc1cc(C)c(OC)n1-c1nn(-c2ncccn2)cc1Br 587940536 PVQLQLYSUSDQSU-UHFFFAOYSA-N 364.203 2.541 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(=O)OCC)CC2=O 587477704 FAMZSYGIENADDQ-LJQANCHMSA-N 364.394 2.565 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400930 UIMMSOINNPWPGM-HXUWFJFHSA-N 353.374 2.570 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1C(=O)O)[C@@H](C2)C3=O 587440852 BMBBGYUUZXALIF-DJJJIMSYSA-N 370.357 2.899 0 1 FFAF COC(=O)c1cc2nc(C(F)(Br)Br)[nH]c2cn1 587087626 RYMKBYBYRZPWLJ-UHFFFAOYSA-N 366.972 2.614 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(N)=O)cc2[nH]1)C[C@H]1CCCO1 587197839 VEUPWVZZROSIGT-CYBMUJFWSA-N 374.441 2.578 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620301 XXUIOSLKHZCLJC-IOHHAYIISA-N 372.398 2.629 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCC(=O)O)c1cccnc1 963040324 WCUVIJQCYFYJJR-NRFANRHFSA-N 363.417 2.893 0 1 FFAF COc1ccc2c(c1)[C@]1(CCCc3nc(O)c(C(=O)O)cc31)N[C@H]1CC[C@H]21 962992497 GWEOSVURZFUZCM-JRQSSSKMSA-N 366.417 2.923 0 1 FFAF Cn1ncc2c(Cl)cc(-c3ccc([C@@]4(C)CCNC4=O)c(O)n3)cc21 1772621375 HZRIWTWZNZLRCQ-GOSISDBHSA-N 356.813 2.772 0 1 FFAF COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 203054351 VSVRSKFNNYMZLM-UHFFFAOYSA-N 352.398 2.508 0 1 FFAF COc1ccc([C@@]2(C)NC(=O)N(CCC(=O)c3ccc(F)cc3)C2=O)cc1 1857546520 JICWTFAMAOPPLI-HXUWFJFHSA-N 370.380 2.874 0 1 FFAF COC(=O)C1=NN(c2ccccc2)C2=CN=C3NC(c4ccccc4)=C[C@H]3N21 102899577 VYKDCFWDCIPFQP-QGZVFWFLSA-N 371.400 2.519 0 1 FFAF CCOc1nc(N2CCNCC2)nc2c1[nH]c1cc(-c3ccncc3)ccc12 114956951 HFGHRUCCKVYFKL-UHFFFAOYSA-N 374.448 2.981 0 1 FFAF in-vitro Cc1cc(-c2n[nH]c3cc(NC(=O)NCCOC(C)C)ncc23)ccn1 219758594 XCIMVFPYUPHIPW-UHFFFAOYSA-N 354.414 2.875 0 1 FFAF CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)cn2)cc1 43171604 NNHDXXVNXHKIOJ-SJLPKXTDSA-N 364.442 2.698 0 1 FFAF NC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1 45339783 JATMVNREUULHSO-UHFFFAOYSA-N 366.343 2.642 0 1 FFAF CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O 40391041 IGMRYMQUDCGCFD-QZTJIDSGSA-N 360.362 2.890 0 1 FFAF biogenic CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@@H](CO)C(=O)OC 238741679 UHOKSUGCIDKRQZ-CKNFYHOISA-N 356.466 2.895 0 1 FFAF C[C@]12CC(=O)[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[C@@H](O)CO 255244688 NGYONPIMXAHRCT-UMKFCYITSA-N 350.499 2.538 0 1 FFAF CC(C)Nc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2 299849423 LDOJCMKRLUVAPI-UHFFFAOYSA-N 358.467 2.914 0 1 FFAF CC(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587767766 KRNHRLGDIIBWLY-SNVBAGLBSA-N 355.251 2.960 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 587234292 YXLVJENZEJHJGJ-JGVFFNPUSA-N 351.432 2.508 0 1 FFAF Cc1cc(Cl)cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 586928431 AWHCBGKKDXLCAN-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586894046 YMKAIFMFXFXAOD-SNVBAGLBSA-N 365.842 2.940 0 1 FFAF Oc1nccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118012 IFXVAZXNMJUQJL-UHFFFAOYSA-N 350.260 2.582 0 1 FFAF Cc1nn(Cc2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1Br 586978783 HLZGJJAROQLDSK-UHFFFAOYSA-N 363.215 2.958 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@]2(CCc3cc4c(O)nc(O)nc4nc3C2)C1 587558242 PBRGCHYVEPWPBU-LJQANCHMSA-N 372.425 2.552 0 1 FFAF Cc1c(O)ccc2c1[C@@](c1ccc(N)cc1)(C1CCC1)N[C@H](C(=O)O)C2 963558092 ZQAYWOXXGCHOQO-UWJYYQICSA-N 352.434 2.925 0 1 FFAF CCOC(=O)[C@H](CC)[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227130 FKWQADGUEGLUIT-NQYLQCIDSA-N 356.422 2.638 0 1 FFAF C[C@@]1(c2cccc(O)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230994 RMJMGEPLSXBZQS-JXFKEZNVSA-N 352.365 2.942 0 1 FFAF COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(F)c1Cl 38477236 GKCQCYDQKNZYMS-UHFFFAOYSA-N 352.174 2.732 0 1 FFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1cccc2ccccc12 1772625872 CKLWBDPTLKQLFO-QGZVFWFLSA-N 373.368 2.678 0 1 FFAF O=C1c2c(Cl)cc(Cl)cc2C[C@@H]1NC(=O)[C@H]1COc2ncccc21 1772645315 QAWCAQCOBWYFOU-AAEUAGOBSA-N 363.200 2.788 0 1 FFAF CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H]1C)OCO3 13604057 LMKSRWCXRYNKMW-NSHDSACASA-N 352.394 2.856 0 1 FFAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)=O 13779473 FKCWULMKUVIBII-UHFFFAOYSA-N 360.362 2.877 0 1 FFAF COc1cc([C@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)ccc1O 14642232 GRYMYKQGSSTJBA-AUSJPIAWSA-N 358.390 2.668 0 1 FFAF endogenous,in-man O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C[C@H]2CCCO2)CC1 168070918 OBHHADQHNNIJDH-OAHLLOKOSA-N 373.482 2.534 0 1 FFAF C/C=C/C(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21 201489696 XFGVJNHRZXKCHQ-HWKANZROSA-N 360.435 2.566 0 3 FFAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)C2CC2)C=C1C 2356314406 HZBZCQAOUAEFST-KSZLIROESA-N 350.503 2.520 0 1 FFAF COC(=O)C[C@H]1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 103286820 GZMOIPKDXGAENJ-JTQLQIEISA-N 362.179 2.864 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@H]2CC[C@H]1N2C 100739519 LDJPMOIHMAEPSX-YIKOMLBNSA-N 353.260 2.771 0 1 FFAF C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)C(C)(C)Br)cc1 27892497 FBMUFHZGBBPCPF-SECBINFHSA-N 352.232 2.659 0 1 FFAF O=C(CCc1ccccc1)c1cccc(OC[C@@H](O)CN2CCOCC2)c1 28636842 OPTCSGCPBTURPY-FQEVSTJZSA-N 369.461 2.574 0 1 FFAF C[C@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)O)c1ccccc1 26382378 DWRFNATXFQHHDE-VBKZILBWSA-N 352.390 2.756 0 1 FFAF CCNC(=O)c1nc(C)c(-c2ccc3[nH]c(-c4nc(C)no4)cc3c2)[nH]1 68208324 OJRKCEOPYYIQFG-UHFFFAOYSA-N 350.382 2.975 0 1 FFAF COC(=O)[C@]12C[C@H](O)CC[C@H]1CN1CCc3c([nH]c4ccccc34)[C@H]1C2 2356695356 DJYUVQHOELNJST-LXQILGGGSA-N 354.450 2.791 0 1 FFAF Cc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40847221 YFITZGXNIVJWJK-VTCDDQIKSA-N 352.386 2.913 0 1 FFAF Cc1noc(C)c1-c1ccc2c(=O)n(C)n3c2c1OC[C@@H]3c1cccnc1 223113027 JIWZXZCQZJYFQM-MRXNPFEDSA-N 362.389 2.989 0 1 FFAF COCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151207 DKTMADBFUQDJLI-UHFFFAOYSA-N 358.417 2.871 0 1 FFAF CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(F)cc1F 96930145 BYGKUAPBOBUHDD-PKTZIBPZSA-N 365.467 2.814 0 1 FFAF Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 618016874 PZPWGKLXAYCAAJ-GUDVDZBRSA-N 355.438 2.608 0 1 FFAF COc1ccc(-c2cn(CCCN3C(=O)COc4ccccc43)nn2)cc1 299819248 BGPCEPQCDZDROW-UHFFFAOYSA-N 364.405 2.769 0 1 FFAF C[C@H](c1ccccc1)N1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O 653719651 VROYSACMKZBUDU-CRAIPNDOSA-N 367.449 2.869 0 1 FFAF CCOC(=O)C[C@@]1(C[C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448059 BHMNEVDORFZYNO-WAWZGNHOSA-N 360.406 2.704 0 1 FFAF CC(C)(SCC(=O)O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586959503 PKLICIPEBGJXIT-UHFFFAOYSA-N 373.438 2.675 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 587400499 QICIGTQIWQOBEN-APXLUKDGSA-N 374.437 2.547 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O 587443074 KRODIKPUSCLRLZ-AVRDEDQJSA-N 364.445 2.936 0 1 FFAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587239208 LUHIDYXGENUXHL-UHFFFAOYSA-N 365.437 2.861 0 1 FFAF CC(=O)NCc1ccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963019751 FJOFDYRNTLQKHG-XCLFUZPHSA-N 369.490 2.701 0 1 FFAF CCOC(=O)c1c[nH]nc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962564195 GPGFJGYRYGYQMT-GTNSWQLSSA-N 359.426 2.569 0 1 FFAF O=S(=O)(Nc1nc(Cl)ncc1O)c1ccc(Cl)c(Cl)c1 1857566162 FCDDNYSIVRKTCJ-UHFFFAOYSA-N 354.602 2.943 0 1 FFAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1c(F)cccc1F 1772650448 CDAZONRYNUZNMV-MRXNPFEDSA-N 373.359 2.827 0 1 FFAF CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 11878450 LTEORTHPOZKCGW-CQSZACIVSA-N 361.442 2.679 0 3 FFAF C[C@@H]1C[C@@H](O)C/C=C/CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169299990 NWNWWZXMRPIFBT-NTYHVHHESA-N 368.813 2.899 0 1 FFAF CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(=O)CC)c1 169334069 VNPKZIXJDKJLEC-HNNXBMFYSA-N 350.459 2.756 0 1 FFAF CCN1CCN(c2cc(Nc3ncc(-c4ccncc4)s3)ncn2)CC1 1857549009 QASCYYYIZOOEDO-UHFFFAOYSA-N 367.482 2.881 0 1 FFAF COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nn[nH]n1 1857746046 XUBZOZYLZHVGPC-UHFFFAOYSA-N 374.198 2.890 0 1 FFAF CCCN(CCC)C(=O)Cn1ncn2c(cc3sc(CC)cc32)c1=O 6749513 ULMYWJLGPRXXHP-UHFFFAOYSA-N 360.483 2.922 0 1 FFAF COc1ccccc1CN1CCOc2ccc([C@@](C)(O)CN(C)C)cc2C1 55042600 QRTIQDJOIKDVTD-QFIPXVFZSA-N 370.493 2.859 0 1 FFAF O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccc(F)cc1 101135377 CSDPVPYIOLGBFG-UHFFFAOYSA-N 364.336 2.578 0 1 FFAF CC[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26743512 FKBKULCLBKMQRR-HGZMWJMZSA-N 366.417 2.609 0 1 FFAF CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2 28826614 YWUQHCXFSNGCDA-UHFFFAOYSA-N 366.776 2.819 0 1 FFAF CC=C1CNCC[C@@]23c4ccc(OC)cc4N(C)[C@@H]2C=C[C@H]1[C@@H]3C(=O)OC 2356569128 IWHCGBPCBYWRBB-KREFBHGWSA-N 368.477 2.666 0 1 FFAF COc1ccccc1C(=O)NC[C@@H]1Cn2cc(-c3ccccc3)nc2CO1 2356639022 ATCSTOGDOLHSBN-MRXNPFEDSA-N 363.417 2.888 0 1 FFAF COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 73138493 DRPZFPFMLAERPC-KXBFYZLASA-N 367.405 2.724 0 1 FFAF CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1 40430662 SCFIWGDFNXLWQX-UHFFFAOYSA-N 370.497 2.925 0 1 FFAF C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 85692888 YIPMKFWEORGSOZ-MQKHEPITSA-N 360.406 2.614 0 1 FFAF biogenic,in-vitro NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1COCC[C@H]12 98208342 BGRWOLNAPSRJIS-LSBZLQRGSA-N 371.824 2.740 0 1 FFAF in-vitro OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3ccccc3n2)CC1 473083272 NQWNBJBXJZFGNU-UHFFFAOYSA-N 367.428 2.627 0 1 FFAF CCCOCCNc1nc(N)nc2c1cc(-c1ccc(F)cc1)c(=O)n2C 653722423 HOCUWRUZBGKJDQ-UHFFFAOYSA-N 371.416 2.555 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)nc1)O2 587402082 XESORTWRYSZXDE-HXUWFJFHSA-N 353.422 2.689 0 1 FFAF CCOc1ccc(OCC)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587779094 XPDQSVBRAXXHJN-UHFFFAOYSA-N 361.423 2.675 0 1 FFAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 587190955 QLQWSWCSOKZPNH-CYBMUJFWSA-N 354.414 2.673 0 1 FFAF COc1ccc2c(c1OC)C1(CCN(c3cnccn3)CC1)N(C)[C@@H](C)C2 962639450 QCQBNRDTQNLYFZ-HNNXBMFYSA-N 368.481 2.866 0 1 FFAF Cc1cn2cc(-c3ccc(NC(=O)N4CCN(C)CC4)cc3)nc2c(C)n1 1772612754 DZMGFGKVELBGOD-UHFFFAOYSA-N 364.453 2.792 0 1 FFAF CCOc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1 13761363 QWTLDQHYZZGSAB-UHFFFAOYSA-N 372.450 2.895 0 1 FFAF C[C@H](c1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H](N)C(=O)N1CCCC1 14948425 FTWQKUDTUWODMB-GWCFXTLKSA-N 368.359 2.809 0 1 FFAF Cc1nc2ccccc2n1S(=O)(=O)c1cc(C(=O)O)ccc1Cl 169355850 SDSSYWXNJYNNOF-UHFFFAOYSA-N 350.783 2.933 0 3 FFAF Cc1cccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1 167245370 XAGGIZNFVKTVJG-UHFFFAOYSA-N 364.449 2.760 0 1 FFAF C[C@H](c1ccccc1)N1CCN(c2cnnc(O)c2Br)CC1 1857620271 RINUCCVFNORVNO-GFCCVEGCSA-N 363.259 2.828 0 1 FFAF Cc1ccc(NC(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)cc1 4374679 XQFOFNCCHJZQNA-UHFFFAOYSA-N 373.482 2.676 0 3 FFAF COc1c(CC=C(C)CC[C@H](O)C(C)(C)O)c(=O)n(C)c2ccccc12 2356395840 XTAZRYNJXPGCRC-SFHVURJKSA-N 359.466 2.948 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@H](NC(=O)NCc1ccccc1)c1ccccc1 7992495 LNUUUDMPKGHRTH-QZTJIDSGSA-N 354.406 2.605 0 1 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 104693923 OIYCWTQZPWNLSW-OAHLLOKOSA-N 371.396 2.633 0 1 FFAF CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCC(O)CC1 57613939 AOQCUAFJMRKVDH-SFHVURJKSA-N 366.469 2.522 0 3 FFAF CCCC(=O)N1CCC[C@@H](c2cc(C(=O)NCc3cccnc3)no2)C1 61896523 ITVNTNCUBNKKMU-OAHLLOKOSA-N 356.426 2.506 0 3 FFAF C[C@@H]1C(=O)CCCCCCCCC[C@H]2[C@]1(N1CCOCC1)CS2(=O)=O 33864458 SHVUHSCYXGXOEY-NEWSRXKRSA-N 371.543 2.584 0 3 FFAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 95601270 JUMZJYBEXFPJID-FQEVSTJZSA-N 365.433 2.603 0 3 FFAF COc1cccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1 95592236 CLXRPRPXESZNAC-HZPDHXFCSA-N 353.422 2.561 0 1 FFAF COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586684 LIXGSBNAJIROOP-YJBOKZPZSA-N 350.330 2.894 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 586946113 RGGXJLYGTOZYIU-UHFFFAOYSA-N 357.794 2.973 0 1 FFAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 587119186 QVSBKASOWPPWNY-UHFFFAOYSA-N 374.330 2.680 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2N)N1 587766823 XFEZPZLLBRBFOK-AYVTZFPOSA-N 353.239 2.702 0 1 FFAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 587650825 USFRBYNIRKKTTH-QQECIVCUSA-N 374.462 2.562 0 1 FFAF CCc1nnc2n1C[C@@H](C(=O)n1nc3cc1Oc1ccc(F)cc1-3)CC2 587876168 PERSKVRVGGKDRG-JTQLQIEISA-N 353.357 2.852 0 1 FFAF CC1=C(c2ccc3nc(CCc4scnc4C)[nH]c3c2)NNC(=O)C1 587028030 MVIUHPXEXWMNIR-UHFFFAOYSA-N 353.451 2.869 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@](C[C@H]1CCCN1)(c1ccccc1)NCC2 962927454 RHQRDVHQPZDNIV-NFBKMPQASA-N 363.505 2.920 0 1 FFAF COC(=O)[C@@]1(Cc2ccc(OC(C)=O)cc2)Cc2cc3ccccc3n2N1 5858461 IPAPKRTZBPWDON-OAQYLSRUSA-N 364.401 2.821 0 1 FFAF Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3cc[nH]n3)C2)cc1 11664174 RYEZRYHYNXVMNF-MRXNPFEDSA-N 364.453 2.755 0 1 FFAF CC(C)(C)NC[C@H](O)COc1ncccc1-c1ncc(C(F)(F)F)[nH]1 169319020 PVIHIGIQTVWEDH-JTQLQIEISA-N 358.364 2.618 0 1 FFAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CC[C@@H](C)OC3)CC2)c(C)c1 1857549325 MFGODBJUGINSMT-QGZVFWFLSA-N 366.527 2.833 0 1 FFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 2356298402 BANLAOFILPITPI-KEYYUXOJSA-N 361.511 2.880 0 1 FFAF O=C1[C@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1ccccc1 2356311662 AHZLRKGSDZTBPJ-PKOBYXMFSA-N 362.429 2.992 0 1 FFAF CC[C@H]1C[C@H]2N3CC[C@@]4(O)C(=Nc5ccccc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356412413 PEZABKYVKVIQFY-BMGXIXKUSA-N 354.450 2.644 0 1 FFAF O=C(Nc1cccc(F)c1)NC1(C(=O)N2CCC(O)CC2)CCCCC1 4981916 SWIRSACJMMLFSW-UHFFFAOYSA-N 363.433 2.633 0 3 FFAF COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 7998075 BLGXFZZNTVWLAY-DATJGWQGSA-N 354.450 2.647 0 1 FFAF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(OC(F)(F)F)cc1)CC2 115608574 FJQBCEDWCKWTBL-LLVKDONJSA-N 359.260 2.920 0 1 FFAF CC1=CC(C)(C)Nc2c1cc(Cc1cnc(N)nc1N)cc2[S@](C)=O 29559920 MJKWMNDKZZOCPO-RUZDIDTESA-N 357.483 2.577 0 1 FFAF CCC1(CN)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)C1 28703417 WVXCNJYGFGHZCI-UHFFFAOYSA-N 373.428 2.657 0 1 FFAF COC(=O)c1ccc(C(=O)N2CCCCC[C@]2(C)C(=O)NC(C)C)cc1 61907038 RIPZQBJLNHZEIV-HXUWFJFHSA-N 360.454 2.773 0 3 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3[C@H](O)C[C@@H]12 2356505014 NVCAZSJTTWNUBW-FUGGNKQNSA-N 362.466 2.893 0 1 FFAF CC=C1[C@H]2CCN[C@H]1[C@]1(CC)C(=Nc3ccccc31)[C@]2(CO)C(=O)OC 2356510546 CTIFWXHLJCBKTR-HZNDTHDVSA-N 354.450 2.510 0 1 FFAF Cc1cc(NCCN2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1 72184895 UPSLTRARWHASBG-UHFFFAOYSA-N 355.417 2.588 0 1 FFAF Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 73224365 WIICYVHPNFINMO-UHFFFAOYSA-N 373.416 2.914 0 1 FFAF CC(C)Cc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231336 BZGIWXSOYQHFBD-UHFFFAOYSA-N 352.438 2.516 0 1 FFAF NC(=O)c1cc2nc(NC3CCC3)nc(Nc3cccc4[nH]ncc34)c2[nH]1 45190356 CVYDXLYHKLOQFQ-UHFFFAOYSA-N 362.397 2.641 0 1 FFAF Cc1nnc(-c2ccc(Br)cc2)n1-c1ccc(CO)c(CO)c1 84847635 GZCUIRNRATXRRL-UHFFFAOYSA-N 374.238 2.990 0 1 FFAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H]1CO 95877475 MIIHJTNNRHDOHS-UHOFOFEASA-N 365.271 2.559 0 1 FFAF COc1ccc(CCn2cc(C(=O)Cc3ccc(OC)cc3)nn2)cc1 96932346 YKHVPQSRIYTAMK-UHFFFAOYSA-N 351.406 2.963 0 1 FFAF COC(=O)C1=COC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@@H]12 33832913 SDFSXHNINVZAOL-HGQUKEQDSA-N 368.433 2.799 0 1 FFAF biogenic CCOc1cc(-c2cccc(F)c2)nn1-c1n[nH]c(=NN)c2ccccc12 587872530 ZRFQSTXXNWTFOL-UHFFFAOYSA-N 364.384 2.728 0 1 FFAF COc1c[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1=O 587775016 YBDFFCTYYMVHIA-ZKANADHPSA-N 367.218 2.909 0 1 FFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586946071 QVBDSOPXDDSFQB-UHFFFAOYSA-N 374.344 2.594 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CNC(=O)C[C@H]3C2)N1 587791148 FNXMHLZOFZRGPY-TYVYJZRMSA-N 367.262 2.864 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 587872437 MIDUWALNJLYBHD-CQSZACIVSA-N 369.400 2.891 0 1 FFAF CC[C@@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757757 HREXDKZEGHHDCO-BJOHPYRUSA-N 353.239 2.905 0 1 FFAF CCOc1cc(/C=C\c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1OC(F)F 587131188 WEXRRBQJYZMLQN-XQRVVYSFSA-N 363.324 2.642 0 1 FFAF O=C1Nc2ccc(Br)cc2/C1=C/c1[nH]cc2c1CCNC2=O 12354830 GPZPJEOUNUIIMR-WDZFZDKYSA-N 358.195 2.556 0 1 FFAF Cc1cnccc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12434474 LOZWPTINEYIAIO-SFHVURJKSA-N 369.440 2.926 0 3 FFAF COc1cccc(C2=Nc3nnnn3[C@H](c3cccc(OC)c3OC)C2)c1 13123573 FGHYZCIPIICSGW-INIZCTEOSA-N 365.393 2.813 0 1 FFAF CCn1c(=O)n(CC)c2cc(-n3nnnc3-c3ccc(F)c(C)c3)ccc21 14958576 GLHPICRSCLNZFX-UHFFFAOYSA-N 366.400 2.933 0 1 FFAF O=C(NC[C@@H]1CCNC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166461741 UBKJLLLBIOGQDC-OAHLLOKOSA-N 364.449 2.574 0 1 FFAF COc1ccccc1-c1n[nH]c(=Nc2cccc(CC(N)=O)c2)c2c1CCC2 1857613348 OULAIGQHIWXPCD-UHFFFAOYSA-N 374.444 2.834 0 1 FFAF C[C@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@@H](C)O1 766834 NNRDRKZRECAZOH-OKILXGFUSA-N 350.422 2.935 0 1 FFAF C/C=C/C1=Cc2ccccc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 8682199 KIFSNTZKPAYVOZ-WHWKNOJMSA-N 359.378 2.689 0 1 FFAF COc1cc2nc3c(c(N)c2cc1OC)C[C@H](CNC(=O)c1ccoc1)C3 103218939 MXFRFAKAWOQMMJ-NSHDSACASA-N 367.405 2.572 0 1 FFAF CC(C)CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 104462983 QSPUODWHQMJTCS-WFXMFSGNSA-N 361.463 2.619 0 1 FFAF CSc1nn(-c2ccccc2)c2nc3n(-c4ccccc4)cnn3c(=O)c12 103201112 CCTWHFOLMYJIIN-UHFFFAOYSA-N 374.429 2.941 0 1 FFAF CCCn1c(=O)c2[nH]c(C3C4CC5CC3CC5C4)nc2n(CCC)c1=O 26398491 RHPRGWCOJWXWIN-UHFFFAOYSA-N 356.470 2.856 0 1 FFAF CC(C)NC(=O)C[S@@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 28468747 TVJWNQXHBUULSP-KPNPRUKOSA-N 370.946 2.649 0 1 FFAF CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356759868 GLLCWAAMMJOGIH-MCNKPLBUSA-N 362.429 2.737 0 1 FFAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(O)c1OC 14436780 YTYFGDJADQYGLC-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic,in-vitro NC(=O)c1cnn2c1N(C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)C2 82152066 GPJAUDCTMZIHIN-INIZCTEOSA-N 365.368 2.915 0 1 FFAF COc1c(OC)c(OC)c2c(=O)cc(-c3c(O)cccc3O)oc2c1OC 95593741 KLXDHUKKEORCKW-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1)c1ccccc1 257520738 QFVFKNNOHLGRBN-UJMXGEILSA-N 368.477 2.707 0 1 FFAF CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 257542914 SLWSWKGGZQCLDU-XENONGRBSA-N 373.449 2.846 0 1 FFAF endogenous,in-man Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 473128570 CGCSZFVIPKLGCF-UHFFFAOYSA-N 372.429 2.635 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2c(F)cnc(Cl)c2[nH]1 587570764 YCAAJSOLWGZHGS-UHFFFAOYSA-N 373.812 2.669 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1ccco1 587871051 XXYFNILAEOVDDK-UHFFFAOYSA-N 357.341 2.751 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cc(O)n1 587868079 FYGIEHFZGSAMDT-UHFFFAOYSA-N 351.288 2.766 0 1 FFAF O=[S@](CCCc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 586959252 KEZJRSMOWGIWSP-OAQYLSRUSA-N 365.256 2.807 0 1 FFAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 587217745 YVRICOOUCIPLOB-CQSZACIVSA-N 364.405 2.622 0 1 FFAF COc1cc(OC)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 586950542 YQLKCUHHZGCUEZ-UHFFFAOYSA-N 361.423 2.542 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(F)c(F)cc2[nH]1 587568019 JQTYTXNAEQVKBN-UHFFFAOYSA-N 356.369 2.760 0 1 FFAF C[C@@]1(c2c(Cl)ncnc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923715 RUQJOIUBINLOCS-ZUZCIYMTSA-N 356.184 2.785 0 1 FFAF Cc1cc2c(cc1F)[C@]1(CS(=O)(=O)Oc3ccc(Cl)cc31)NCC2 962379948 VWXFFUIJDAUAID-KRWDZBQOSA-N 367.829 2.899 0 1 FFAF COc1ccc(Nc2nccc(-c3sc(=O)n(C)c3C)n2)c(OC)c1 220052340 XVARHXDLQROMIB-UHFFFAOYSA-N 358.423 2.973 0 1 FFAF CCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2c(C)cccc21 1772601504 WJZNWBXIAMFKPZ-UHFFFAOYSA-N 359.470 2.578 0 1 FFAF COc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCC=CCO2 253658859 ANABXUFRJYCHOD-UHFFFAOYSA-N 367.365 2.718 0 1 FFAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCC1 2460801 NCTCBBGMUARBDR-UHFFFAOYSA-N 363.483 2.761 0 1 FFAF CCNC[C@@H]1[C@H]2C=C[C@H]3[N@]([C@@H]2[C@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]13O 2356366840 RJRXULCIAXWXHS-JLBLKHKASA-N 366.505 2.940 0 1 FFAF CCN(CC)CCN1C(=O)C(c2cccs2)=C(c2cccn2C)C1=O 29124542 ZLVWKFRVHVSRPM-UHFFFAOYSA-N 357.479 2.708 0 1 FFAF COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccoc3)C2)CC1 61969214 UDKCUXHIRQCQOZ-SFHVURJKSA-N 369.465 2.715 0 3 FFAF CCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 25984764 RJOTWZQVHIRPMM-LBPRGKRZSA-N 351.406 2.933 0 1 FFAF NC[C@H]1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1 67872605 ODGPOTUAKZFXCW-CQSZACIVSA-N 372.856 2.685 0 1 FFAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](O)CC[C@@H](C)[C@@]12C 2356488496 OVZYDQPLJDOTDE-MSVUAZDBSA-N 362.422 2.863 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3ccncc3)ccnc2O1 61902413 SMDGQFLJQRHQNY-GOSISDBHSA-N 361.357 2.815 0 3 FFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCCC2)C(=O)[C@@]31C 2107617 HNPMISRTUUJQNT-OAQYLSRUSA-N 367.449 2.561 0 1 FFAF biogenic CN1O[C@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1F 74373312 WZIRMUJJERIWIW-HXUWFJFHSA-N 355.413 2.915 0 3 FFAF F[C@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 143020240 FVZOEYTXZGRKAW-OAHLLOKOSA-N 351.223 2.920 0 1 FFAF CC(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 96019002 FGSVKWKIZPJUCM-AEFFLSMTSA-N 351.468 2.758 0 3 FFAF O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1c(Cl)cccc1-3 149039752 DTSODUXPUAHUGN-UHFFFAOYSA-N 361.762 2.693 0 1 FFAF O=C(Nc1nc(-n2ccnc2)c2nc(-c3cccnc3)sc2n1)C1CC1 95920782 GEKYZKWDAFEGJJ-UHFFFAOYSA-N 363.406 2.683 0 1 FFAF in-vitro Cc1cc(Oc2ncccc2C(N)=O)ccc1-c1c(C)n[nH]c(=O)c1C 261145862 NVZLTQCXIVYYJH-UHFFFAOYSA-N 350.378 2.648 0 1 FFAF O=S(=O)(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCCC1 586924789 VNBZSGLTIXQPPA-UHFFFAOYSA-N 368.768 2.834 0 1 FFAF Cc1nc2[nH]c(CSc3nc(O)cc(O)n3)nc2cc1Br 586966600 KVOJLLAKCBPETI-UHFFFAOYSA-N 368.216 2.522 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc5c(cc41)OCO5)[C@@H](C2)C3=O 587454224 RVHPPYYGPXRDCN-RNODOKPDSA-N 352.342 2.849 0 1 FFAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 587249004 FAISROWELXPERL-UHFFFAOYSA-N 359.769 2.874 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 586939557 WHZJNCMNBCLPKM-AWEZNQCLSA-N 365.846 2.682 0 1 FFAF CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 14826957 YPBNKPNGOBYSJH-MSOLQXFVSA-N 360.362 2.890 0 1 FFAF endogenous,in-man CC(C)c1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1cc(Cl)cc(Cl)c1 1857578438 SCSTUPQPTWXCHZ-UHFFFAOYSA-N 352.225 2.851 0 1 FFAF CCOc1ccc(CCN(CCO)[C@@H]2CCCC[C@H]2O)cc1OCC 261304927 IJYNVBGHMBDWGD-QZTJIDSGSA-N 351.487 2.624 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)C[C@@]4(C[C@H]21)c1ccccc1N(C)[C@H]34 2356333259 PRBYEVQYZLEFMG-DVPVZZOLSA-N 350.462 2.729 0 1 FFAF Cc1nc(NC[C@@H]2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1 4388649 QPOOAQMYHZFERF-ZDUSSCGKSA-N 358.833 2.822 0 3 FFAF CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cn1C 6800605 LIGDMDHVJWHMIM-INIZCTEOSA-N 362.451 2.558 0 1 FFAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C 61902734 SZWMWSKVWLFFDH-MRXNPFEDSA-N 357.376 2.930 0 3 FFAF CC(C)(O)[C@H]1Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 2356619501 IKHVEPGZVCECES-DOTOQJQBSA-N 372.373 2.584 0 1 FFAF CN1CCN(Cc2ccc3c(c2)Cc2c(-c4cncs4)n[nH]c2-3)CC1 36338886 MZRCHBSHHUZTFK-UHFFFAOYSA-N 351.479 2.852 0 1 FFAF COc1cc2c(cc1O)CCN(C)[C@H]2[C@H]1OC(=O)c2c1ccc1c2OCO1 13308326 IDRRBLYLLIIGSH-MSOLQXFVSA-N 369.373 2.570 0 1 FFAF biogenic COc1cccc(C2=N[C@](C)(CC(=O)NCCc3ccccc3)ON2C)c1 74374039 VKBBHROIBFBXMC-NRFANRHFSA-N 367.449 2.784 0 3 FFAF Cc1ccnc(-c2nc(O)c(O)c(C(=O)N[C@@H](C)C3CCCCC3)n2)c1 1911580304 DCUQXQGOXKEJOF-LBPRGKRZSA-N 356.426 2.957 0 1 FFAF N=C(N)c1ccc(Cn2c(=O)[nH]c3cc(C(=O)c4ccccc4)ccc32)cc1 40584865 LNESRRKWAJIYNK-UHFFFAOYSA-N 370.412 2.893 0 1 FFAF COc1cc(-c2ccc(-c3cnc(N)nc3OC)[nH]2)cc(OC)c1OC 45315051 LBOLOGCJSVBZTJ-UHFFFAOYSA-N 356.382 2.755 0 1 FFAF COc1cc(OC)c2c(c1CO)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 84687188 WQKIFVVNHWIOKA-KRWDZBQOSA-N 369.417 2.580 0 1 FFAF NC(=O)C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCCCC1 299833532 PTUCJXHARUWQFF-CQSZACIVSA-N 369.259 2.521 0 1 FFAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C4CCC4)C[C@H]23)c2ccccn12 653793035 YTZZHDCFTZGYDV-OSYLJGHBSA-N 352.482 2.918 0 1 FFAF Cc1nn(C)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584315 ZQNKKYVLYDBPBH-MAUKXSAKSA-N 351.362 2.719 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O 587436417 QHVRXBNWUDITLO-FKIZINRSSA-N 371.389 2.779 0 1 FFAF Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1F 587227683 SBLQVGKRZHCGKB-UHFFFAOYSA-N 370.384 2.553 0 1 FFAF COCCN1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587768763 MKKHRTXVKXZNLT-ZBEGNZNMSA-N 357.267 2.670 0 1 FFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586927809 XQEJBPWTSPIEKV-UHFFFAOYSA-N 372.402 2.511 0 1 FFAF Cc1csc([C@](O)(Cc2nc3c(Cl)ncnc3[nH]2)C(F)(F)F)n1 587094232 NMKQCPPMICZPHU-LLVKDONJSA-N 363.752 2.764 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@](CCC(=O)O)(c3ccccc3F)c3cccc1c32 963036355 XIUYRIYNEXGVCU-ZSEKCTLFSA-N 368.408 2.987 0 1 FFAF [C-]#[N+]c1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1 1772655564 NISFSIYBYOSTRE-UHFFFAOYSA-N 369.469 2.908 0 1 FFAF O=C1Oc2ccccc2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857594471 XGTNOTWEBRRAKO-UHFFFAOYSA-N 351.406 2.518 0 1 FFAF O=c1c2ccccc2n(Cc2ccccc2F)c(=O)n1Cc1ccco1 2467763 VSHVNNOZXHSYFY-UHFFFAOYSA-N 350.349 2.992 0 1 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CC[C@@H](O)C1 3795707 CMEJZCCOTAAGJD-HUUCEWRRSA-N 371.308 2.984 0 1 FFAF CCNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 114348161 XAVPWAIYBBCDNE-QGZVFWFLSA-N 365.437 2.500 0 1 FFAF NC(=O)[C@@H]1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 66260111 MQZMOJGPULPIFR-LPHOPBHVSA-N 350.447 2.728 0 1 FFAF NC(=O)c1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28456676 ICRUULDJFREPHA-UHFFFAOYSA-N 360.352 2.629 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3C(=O)[C@H](C2)N1C 28880368 RCHKHOGZNUFWBO-LVCYWYKZSA-N 364.445 2.569 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(C)=O)CC(C)=CCC1 2356571378 PMYTWBUCBFNKSN-QTXLCTLRSA-N 350.411 2.716 0 1 FFAF Cc1ccc2c(c1)[n+](=O)c(C(=O)NCc1ccc(Cl)cc1)c(C)n2O 64409150 AJXUVPGEICDDRN-UHFFFAOYSA-O 358.805 2.993 0 1 FFAF COc1ccc(-c2nnc(C)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 26843698 MICHHTRNVSGGCT-UHFFFAOYSA-N 370.409 2.859 0 1 FFAF COC(=O)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O 35010303 PVGYNKMYZCVNHS-UHFFFAOYSA-N 370.308 2.958 0 1 FFAF CNc1nc2cnc(Nc3ccc(OC)cc3OC)cc2n1CCOC 74388518 SWICEDHVVBSZSW-UHFFFAOYSA-N 357.414 2.880 0 1 FFAF O=C(N[C@H]1COc2ncccc21)[C@@H](CO)c1ccc(Cl)cc1Cl 146601218 DPNPLMFVTDNEQR-JSGCOSHPSA-N 353.205 2.714 0 1 FFAF COc1cc(OC)c(C[C@@H](O)Cc2ccc(OC)c(OC)c2)c(OC)c1 49785124 UYGPHIAWXUWOFJ-AWEZNQCLSA-N 362.422 2.876 0 1 FFAF biogenic Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 299850762 MZKDRWWWPCTREO-AWEZNQCLSA-N 351.410 2.781 0 1 FFAF C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NC(C)(C)CO 653725547 GBVNBSORGOMGLF-KSSFIOAISA-N 352.434 2.832 0 1 FFAF OCCc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966625 GOOWNJUEYWFGDG-UHFFFAOYSA-N 353.407 2.835 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O 587449862 DXZBGROZOWSAIT-IFXJQAMLSA-N 356.399 2.516 0 1 FFAF COc1ccc(C2(c3nc4c(O)nc(=N)[nH]c4[nH]3)CC3(CCC3)C2)cc1 587934850 GRZVOJSOVLLQFO-UHFFFAOYSA-N 351.410 2.730 0 1 FFAF COc1c(C/C=C(\C)CC[C@@H](O)C(C)(C)O)c(=O)n(C)c2ccccc12 685935419 XTAZRYNJXPGCRC-PMXLPMHFSA-N 359.466 2.948 0 1 FFAF biogenic,in-vitro COC[C@]1(CC(=O)OC(C)(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963630108 BOAIERKWVMJERY-XCLFUZPHSA-N 365.470 2.812 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc3scnn3c2=O)N1 962950630 HJWQGSSAZMUGME-WLRWDXFRSA-N 365.462 2.820 0 1 FFAF Cc1cc(-c2nnc(CCC(=O)N(CC3CCC3)C[C@@H]3CCCO3)o2)no1 11769850 PBTFSPVXGALCDV-HNNXBMFYSA-N 374.441 2.773 0 3 FFAF CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 11818367 ILBYLNYKOUBMJB-UHFFFAOYSA-N 367.453 2.707 0 1 FFAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@H](O)C1 12717553 LRHMRPQDVICGQO-NSHDSACASA-N 354.765 2.643 0 1 FFAF Cc1nc2c(c(CO)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585105 KYOFPNUHZKSYLQ-UHFFFAOYSA-N 359.600 2.870 0 1 FFAF O[C@@H](CCCN1CCN(c2ncc(Cl)cn2)CC1)c1ccc(F)cc1 13730864 RZBSYNVZZGXXQR-KRWDZBQOSA-N 364.852 2.905 0 1 FFAF CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(=O)CC)c1 169334072 VNPKZIXJDKJLEC-OAHLLOKOSA-N 350.459 2.756 0 1 FFAF CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169704125 MBZCRLUONJJYJU-OAHLLOKOSA-N 357.364 2.709 0 1 FFAF O=C(c1ncccc1F)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076966 WSPZWQIDNSGLHQ-UHFFFAOYSA-N 370.359 2.791 0 1 FFAF CCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216426 OVAQLCQYEGUAMX-BXUZGUMPSA-N 354.838 2.995 0 1 FFAF O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 100101440 VSHMCMJZJOVMKX-SGRGSNTQSA-N 370.456 2.653 0 1 FFAF N#Cc1ccc(N2C(=O)CC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F 115763897 DCOLZOQRXPGYCC-ZYHUDNBSSA-N 352.234 2.996 0 1 FFAF NC(=O)c1ccc([C@H]2CCCN2Cc2cccn2-c2ncccn2)s1 20600437 QYDUSVVFXUIFIY-CQSZACIVSA-N 353.451 2.765 0 1 FFAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)C1CC1 139044657 WBKRSMQUVSKNQX-LJQANCHMSA-N 366.465 2.666 0 1 FFAF CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccc(C)cc2)cs1 96901585 LDKUVXFEYBFWIL-UHFFFAOYSA-N 373.463 2.887 0 1 FFAF CC(=O)CSc1nc2sc(C(N)=O)c(C)c2c(=O)n1-c1ccccc1 98084364 PEMQYSABMYZEDS-UHFFFAOYSA-N 373.459 2.536 0 1 FFAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@H](C)c3ccc(F)cc3)n2)C1 299887018 YEHUIFRLRZJDEU-CXAGYDPISA-N 357.433 2.812 0 1 FFAF CCn1nccc1Oc1cc(C[C@H]2C[C@@](C)(O)C2)cnc1NC(=O)NC 299819647 AZHFAXGDRCIDKF-QGGXVJLZSA-N 359.430 2.545 0 1 FFAF Cc1cc2nc(CCNC(=O)c3ccccc3-n3cnnc3)[nH]c2cc1C 299858025 GAKDOKAGLQMMTJ-UHFFFAOYSA-N 360.421 2.733 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1COC(=O)C1)[C@@H](C2)C3=O 587453627 PIUOMXMREOXMCB-ZJTDPSCFSA-N 350.370 2.901 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncccc12 587795622 RQVYXQRWBZSOFR-VPTHRUTESA-N 362.202 2.713 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCNC3=O)c1)O2 587400845 REZHKTVOEIEAFU-HXUWFJFHSA-N 351.406 2.987 0 1 FFAF N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl 587058805 ZLVSPRDEAIZLJG-SECBINFHSA-N 352.623 2.963 0 1 FFAF COC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442332 KDDVNCABEVTXAS-IIBYNOLFSA-N 352.386 2.987 0 1 FFAF CC(=O)N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 587217569 XFSMFGRHIORHKP-LLVKDONJSA-N 359.480 2.659 0 1 FFAF O=C(Nc1cc(F)ccc1F)[C@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957636636 OOTFWQLMPCTTEA-OAHLLOKOSA-N 356.328 2.695 0 1 FFAF C[C@@H](O)CCNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 5890471 QRYWFMRLAMIRKB-SNVBAGLBSA-N 369.343 2.953 0 1 FFAF C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(OC)ccc14 13309624 AWDINAQEZMNGBT-ZSLDGBIMSA-N 352.434 2.840 0 1 FFAF COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O 13470139 VEOXQWGYGMQICJ-UHFFFAOYSA-N 369.329 2.592 0 1 FFAF COc1cc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC)[C@@H]2O)ccc1O 14436128 IPCUWVNNQQKAPJ-ZACQAIPSSA-N 362.378 2.600 0 1 FFAF CC=CC1=Cc2ccccc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 1857622836 KIFSNTZKPAYVOZ-MRXNPFEDSA-N 359.378 2.689 0 1 FFAF NC(=O)C12CC3C[C@@H](C1)C(N1CC[C@@H](Cc4ccccc4)C1=O)[C@@H](C3)C2 101073151 GRPWDRHUGPCUBI-GEBKOJEVSA-N 352.478 2.758 0 1 FFAF CC1(C)Oc2cc(C(=O)C(F)(F)F)sc2[C@@H](N2CCCC2=O)[C@@H]1O 27518135 MEUSDFJAIJIDIL-MFKMUULPSA-N 363.357 2.689 0 1 FFAF COC(=O)c1ccc2c(c1)C[C@H](OC(C)=O)[C@@](C)(CC=CC(C)(C)O)O2 2356330553 SWSDHHIUKXEGAW-FXAWDEMLSA-N 362.422 2.816 0 1 FFAF N[C@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1 28891635 GFJJIBKQWYQEJL-SFHVURJKSA-N 369.856 2.565 0 1 FFAF COc1cc(C=C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 2356607760 PYINQNNZGBAXJN-AWEZNQCLSA-N 354.358 2.929 0 1 FFAF Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 2356674591 NTRBFEXAUXLBOB-RTBURBONSA-N 371.525 2.869 0 1 FFAF COc1c(O)c2c(c3c1[C@H](O)COC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C 14816262 VLSCNAWMSGINHJ-JWCBKOKGSA-N 374.433 2.814 0 1 FFAF biogenic C[C@@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccc(Cl)c(O)c2C3=O)[C@@H]1O 13384397 VYZRGVNZHYVQDP-NPMWZIQKSA-N 372.760 2.783 0 1 FFAF biogenic Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1cccc2c1OCO2 43024828 JKUOGJNJJAWLOL-UHFFFAOYSA-N 370.311 2.807 0 1 FFAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21 82181243 SIUOIFLTFOFSLW-UHFFFAOYSA-N 356.474 2.832 0 1 FFAF COc1cc(-c2c[nH]c3ccn4ccnc4c3c2=O)cc(OC)c1OC 84596383 MCVXGVHRNQOJDR-UHFFFAOYSA-N 351.362 2.869 0 1 FFAF Oc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 141743226 BQYPFLYRFTYVGP-SFHVURJKSA-N 362.857 2.608 0 1 FFAF CCC[C@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(Cl)cc2)CC1=O 299852801 XQPNPMJETHNYKD-INIZCTEOSA-N 366.889 2.812 0 1 FFAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCCC1 587557026 FSCVPCVJBKIROI-UHFFFAOYSA-N 352.394 2.707 0 1 FFAF C[C@@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173726 IAMDESMJFSPQPH-SFHVURJKSA-N 374.393 2.734 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2ccc(Br)c(O)c2[nH]1 587228680 PTNWOROLQUDBHN-UHFFFAOYSA-N 374.238 2.932 0 1 FFAF CCOC(=O)C1CCN(C(C)(C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587396808 WHZOSSCUQCVYPT-GOSISDBHSA-N 374.481 2.965 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C1)CC2=O 587479882 DHGUFPCEWGQZAT-AMZXGBFLSA-N 359.422 2.521 0 1 FFAF O=C1C[C@H](c2nc3ccc(CO)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150951 VVRNAWVIDQFCKV-ZDUSSCGKSA-N 357.360 2.850 0 1 FFAF CCN1C(=O)C[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@H]1c1ccccc1Cl 587062420 VREAWZWTSSNSFS-YGRLFVJLSA-N 357.801 2.789 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccn1C 587868141 GZKNOXPWHSIVAU-UHFFFAOYSA-N 350.300 3.000 0 1 FFAF C[C@@]1(COc2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962918396 HLQMAGDUGRGODW-YJBOKZPZSA-N 351.324 2.997 0 1 FFAF Cc1ccoc1C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 1772587909 CPBSGZHQPLSCBP-UHFFFAOYSA-N 350.378 2.693 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@@H]2O 5954499 LJTRXFYQOVKYKJ-JGCKZRNMSA-N 354.450 2.574 0 1 FFAF Cc1ccc(S(=O)(=O)c2ncn3c2CN(C)C(=O)c2ccccc2-3)cc1 13861414 LGMWQNPUQJULHZ-UHFFFAOYSA-N 367.430 2.599 0 1 FFAF O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166763440 FABDRVBUXYQKIC-QGZVFWFLSA-N 366.421 2.538 0 1 FFAF COc1cccc(OC)c1-c1cccc(Nc2cc(=O)n(O)c(O)n2)c1 1857555075 RLSSIMDTXVXYRT-UHFFFAOYSA-N 355.350 2.614 0 1 FFAF COc1ccc(-c2cccc3ccccc23)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1857637527 FVQPWWATCYBCSS-YSFYHYPLSA-N 366.413 2.669 0 1 FFAF COc1ccc2nc3sc(C(=O)N4CCC(C(N)=O)CC4)cc3cc2c1 4030383 NTBCEYZFVBRNGL-UHFFFAOYSA-N 369.446 2.796 0 1 FFAF COc1cc(OC)c([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1OC 4104068 RVSYJYUMWHPOMR-ZWKOTPCHSA-N 371.389 2.708 0 3 FFAF CCn1c(=O)c2cc(C(=O)NCC(OC)OC)sc2c2ccccc21 4939222 AAOLKAAARKDUMQ-UHFFFAOYSA-N 360.435 2.585 0 3 FFAF O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccccc2F)CC1 53420262 VGQSZAWVSOVRSM-GOSISDBHSA-N 362.420 2.522 0 1 FFAF O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2 58529003 MBHXUUGEWJXIFG-KNCCTNLNSA-N 356.415 2.902 0 1 FFAF CCC=CC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356712058 OAHMLWQISGEXBB-MHORFTMASA-N 366.454 2.754 0 1 FFAF CC=C1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@@]2(C)CO[C@H]1O 2356765114 RKNFTDYAQCNESB-RWCSOYMTSA-N 352.434 2.915 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)N(C)C)c2cn1)c1ccccc1 219745099 MATBSKMECLYRBF-LLVKDONJSA-N 352.398 2.542 0 1 FFAF COc1cc(C(=O)c2c(N)sc3c2CCN(C)C3)cc(OC)c1OC 40972831 YBDVNSSEUQSEKX-UHFFFAOYSA-N 362.451 2.575 0 1 FFAF COCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82139628 CMIKLPYQKRAEDN-UHFFFAOYSA-N 358.417 2.871 0 1 FFAF COc1ccc2c(c1)C[C@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2 146486066 ZEZCZUQIVHQJHW-QFIPXVFZSA-N 365.429 2.926 0 1 FFAF CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O 32296345 IGMRYMQUDCGCFD-ROUUACIJSA-N 360.362 2.890 0 1 FFAF biogenic COc1cc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 33830783 LDYVVKWGJMWITK-QEEYODRMSA-N 360.406 2.654 0 1 FFAF biogenic Cc1ccc(N(C)C)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 473180333 NQQBBJXZLPRCDS-IKGGRYGDSA-N 366.465 2.923 0 1 FFAF COC1(OC)CCOC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606481 DETNYBDTDCGGKB-VQIMIIECSA-N 372.373 2.502 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCSC[C@H]1C(=O)OC)CC2=O 587494416 JXDLZZPUPHUMAU-UGSOOPFHSA-N 350.436 2.975 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCC(=O)N(C)C)c1)O2 587387906 UPNMXLFZNBVYCY-NRFANRHFSA-N 368.433 2.925 0 1 FFAF N=c1nc(O)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2[nH]1 587076017 HEHKONUMKPEWCO-UHFFFAOYSA-N 354.757 2.559 0 1 FFAF O=C1C[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)Oc2c1ccc1c2CCCC1 587526321 PHOAWXPJKNMXBS-FVMGUFKOSA-N 353.462 2.887 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587424764 UMFDVWKUHVXCQA-SGTLLEGYSA-N 362.378 2.727 0 1 FFAF Cc1ccc(CSCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586970965 MTILSKCTIXILHR-UHFFFAOYSA-N 361.492 2.995 0 1 FFAF Nc1cc(C(=O)O)ccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587250499 VQEFNWRJVPWARP-UHFFFAOYSA-N 371.706 2.848 0 1 FFAF COc1ccccc1OC[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963487189 CIFZFJCEVVDBAD-MGPUTAFESA-N 357.406 2.602 0 1 FFAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1COc2ncccc21 1772617867 XCXPKEUZIQGOOP-NSHDSACASA-N 356.275 2.912 0 1 FFAF CC(C)C[C@H](N[C@@H](Cc1cncn1CC1CCCCC1)C(=O)O)C(=O)O 14976335 QKFPFTULJDWOBY-IRXDYDNUSA-N 365.474 2.548 0 1 FFAF C[C@H]1C[C@H](O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 17188094 JPYMPXICULCYPW-GNJIZCDOSA-N 359.466 2.750 0 1 FFAF O=C(CCCCCCNC(=O)N1Cc2ccccc2C1)NC[C@H]1CCOC1 167076580 NEPLKRSULCCPKM-QGZVFWFLSA-N 373.497 2.815 0 1 FFAF COC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)OC)cc2)cc1 1857762199 GJWVCWHCFUSSAP-ONEGZZNKSA-N 356.374 2.961 0 1 FFAF Cn1ncc2c(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cccc21 28950589 AVHAUGKPDVOAJG-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(CO)c4)OC[C@@H]23)ccc1O 2356654884 OHOPKHNWLCMLSW-BWMZKYQQSA-N 358.390 2.674 0 1 FFAF OC[C@@H](Cc1ccccc1)Nc1nccc(Nc2ccc3c(c2)OCO3)n1 64499525 UGORNYGYRYWTPT-MRXNPFEDSA-N 364.405 2.964 0 1 FFAF C[C@@H]1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 13455930 VXIXIHJLRHFDIK-YUZQNOJXSA-N 350.455 2.634 0 1 FFAF biogenic C[C@H](C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl 211113439 RKVTUBMTXZINFU-NSHDSACASA-N 370.844 2.971 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@@H]3[C@H]1C 40646383 ILXJSQQEACLYCI-FCOWCQLPSA-N 353.462 2.903 0 1 FFAF CC(C)/C=C/c1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)cc1O)O2 95909670 AWVLLCIFSAKNJE-BWXLTGRJSA-N 372.373 2.856 0 1 FFAF biogenic,in-vitro CCOC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595942 MBTRZOWNKMXIJR-OXJNMPFZSA-N 370.357 2.635 0 1 FFAF Nc1ncnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587016467 BHOYTQMPDYJJEW-UHFFFAOYSA-N 360.406 2.772 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)O2 587397290 ZIWMZYKNQZVPEJ-LJQANCHMSA-N 360.410 2.839 0 1 FFAF Clc1cncc2nc(-c3nccnc3I)[nH]c12 587186652 NDRUVVVCCDPROW-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF O=C(/C=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1ccc(F)cc1 587167114 MQATWNVJLBCSLQ-FPLPWBNLSA-N 361.354 2.601 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2N)N1 587747381 QBIQGNNSHFNMDQ-ANRSDYALSA-N 351.223 2.758 0 1 FFAF CN(C)C(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587022023 SQVRGDIMKFIICK-UHFFFAOYSA-N 352.423 2.789 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587769598 OLHNNWGKZYAZSZ-CDWQFBKHSA-N 369.278 2.545 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595944 MBTRZOWNKMXIJR-UZLBHIALSA-N 370.357 2.635 0 1 FFAF CCOC(=O)c1c([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cnn1C 962618267 CAZGSVRRFVHXAY-PXAZEXFGSA-N 373.453 2.580 0 1 FFAF COc1cc2c(cc1OC)[C@](c1ccccn1)(c1ncc[nH]1)N(C)[C@@H](C)C2 962633506 PJAFSBIYWMBLRJ-QKKBWIMNSA-N 364.449 2.990 0 1 FFAF O=C1COc2ccc(Cl)cc2N1Cc1cn(Cc2ccccc2)nn1 1772582204 UZHFIYGONQVFLT-UHFFFAOYSA-N 354.797 2.905 0 1 FFAF COc1ccnc(C[S@@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 13452108 WYOZHYMHWOFMKP-VWLOTQADSA-N 367.333 2.596 0 1 FFAF Oc1c([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 14641287 DWROQTQLRCCFNU-MBZVMHRFSA-N 370.357 2.925 0 1 FFAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1O 15117446 TUEHVMYACGCKDL-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro O=N[C@@H]1CCc2cc(-c3cn(C[C@H](O)CO)nc3-c3ccncc3)ccc21 169686116 CRTJFFQEWFIJPJ-QFBILLFUSA-N 364.405 2.719 0 1 FFAF O=C(Cc1coc(C2CC2)n1)N1CCN(c2cncc3ccccc23)CC1 1857574853 DLZYEQVQKOHZEQ-UHFFFAOYSA-N 362.433 2.992 0 1 FFAF Oc1ccc2c([C@H](O)CNCCCc3ccccc3O)ccc(O)c2n1 1857582171 CNMYHJHYKKZBAK-GOSISDBHSA-N 354.406 2.607 0 1 FFAF CCCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)cc3)no2)C1 1362764 VGEWPCSQMVITMT-CQSZACIVSA-N 365.455 2.664 0 3 FFAF C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccccc1)C(=O)O 1549935 ILDFXZFHEJFRBC-CZUORRHYSA-N 357.431 2.761 0 1 FFAF COc1ccc2c(c1)C(=O)[C@H]1CCC(=O)N1[C@H]2c1ccc2c(c1)OCO2 1856979 ANZVNOLRPPUMRK-BEFAXECRSA-N 351.358 2.701 0 1 FFAF C[C@H]1C[C@@H](C)CN(C(=O)CCCn2ncn3c(cc4occc43)c2=O)C1 6807592 YSEQOSOXEAWEBV-OKILXGFUSA-N 356.426 2.527 0 1 FFAF CCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(CC)cc1 29220218 KMJDTHZMYNAABI-QGZVFWFLSA-N 352.500 2.709 0 1 FFAF Cc1c(C(=O)c2cccc3ccccc23)n(COCC2CC2)c(=O)[nH]c1=O 28652478 IFYIVAHKOWAWBH-UHFFFAOYSA-N 364.401 2.613 0 1 FFAF NC(=O)[C@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 66075822 OASXAPUIZDEBLF-POZUXBRTSA-N 365.468 2.591 0 1 FFAF OCCc1c([C@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccccc12 2356467829 GTKKLIYNQCXJMH-VQTJNVASSA-N 350.418 2.669 0 1 FFAF CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]12 2356546555 NFUNVPXUVUEVKF-IERDGZPVSA-N 352.434 2.964 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)O 2356565436 CEDNNIXKNUOVGD-JNDXVAPCSA-N 354.487 2.733 0 1 FFAF O=C(CC1(n2cccc2)CCOCC1)NC[C@H]1CCCN2CCCC[C@H]12 2356710996 CJPPOCNOSBPGMJ-RTBURBONSA-N 359.514 2.765 0 1 FFAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 82186051 RNNKSMAMBLYJKC-UHFFFAOYSA-N 368.416 2.591 0 1 FFAF C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc(Cl)cc2)N1)c1ccccc1 38147790 PYNYAFHIUYHOCC-DOPJRALCSA-N 372.852 2.644 0 1 FFAF Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1 39544092 OYYQGCHHIUFQEL-OAQYLSRUSA-N 352.482 2.706 0 1 FFAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(O)c(C=O)c1O2 18029510 HTAATVDZOHXHBE-UHFFFAOYSA-N 372.329 2.947 0 1 FFAF biogenic COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](C)CC[C@@H]2C1 40641237 IIRJNAAFTIUJOX-JHJVBQTASA-N 351.878 2.924 0 1 FFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]23)n1 36368589 NXWGAMKHRLVUSY-QFHJOOASSA-N 374.529 2.891 0 1 FFAF biogenic COc1cc(NC(=O)N=c2cc[nH]cc2)cc(-c2cncnc2)c1OC 653705317 MRYFTLULTNXEOR-UHFFFAOYSA-N 351.366 2.622 0 1 FFAF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1 653703922 FTNBTHGTRCIVAG-UHFFFAOYSA-N 358.873 2.677 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586959560 RILDGJBQWJDWND-OAHLLOKOSA-N 369.805 2.824 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(c4ccc(Cl)nn4)CC1)[C@@H](C2)C3=O 587419405 FYQYTMSAJKZDRA-ZDUSSCGKSA-N 371.824 2.925 0 1 FFAF CN(C)CCOc1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586950739 KWGHZKSLIFLQAB-UHFFFAOYSA-N 374.466 2.542 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCNC2=O)N1 587791058 DZFFQVQDPGYKMQ-RDGWCUKFSA-N 355.251 2.864 0 1 FFAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 586922541 VZHJBCNZOXITFW-UHFFFAOYSA-N 359.238 2.718 0 1 FFAF O=C1CC[C@H](C(=O)N2CCCO2)CN1Cc1cccc(C(F)(F)F)c1 12316114 WUATVHFPPRCBGH-ZDUSSCGKSA-N 356.344 2.608 0 3 FFAF CC1=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)N=C1N 169708513 ORODGGDDUAZWGL-SFHVURJKSA-N 369.812 2.754 0 1 FFAF Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1 3008264 CFYRLQFUKUXJNT-LJQANCHMSA-N 354.425 2.984 0 3 FFAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O 4972144 UAHFHTIOAHTTLT-INIZCTEOSA-N 361.445 2.882 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 6094188 KQRXQIPRDKVZPW-ISZNXKAUSA-N 370.357 2.925 0 1 FFAF endogenous,in-man NCCCn1cc(C2=C(c3cccs3)C(=O)NC2=O)c2ccccc21 29124704 FOUKFCNJJQEPHK-UHFFFAOYSA-N 351.431 2.619 0 1 FFAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(OC)cc2)noc1[C@@H](C)O 2356295144 TXAIBRPDAAKMMB-OCCSQVGLSA-N 360.410 2.655 0 1 FFAF CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@H]3C1=O 102094512 JLKVLMZGGJSAFO-TWFHAPMSSA-N 355.434 2.735 0 1 FFAF CC(C)=CCN1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCC2)CC1 22940340 LDAMVALBMHXSAW-QFIPXVFZSA-N 356.510 2.827 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC(=O)CCCCC(=O)O 2356690952 ROUDCKODIMKLNO-DKIMLUQUSA-N 368.470 2.654 0 1 FFAF COc1ccc([C@@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 64453787 VPOACCMJRTVHJX-BZUAXINKSA-N 356.472 2.967 0 1 FFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 68245535 QSCSYOXKKXOUTB-QGZVFWFLSA-N 359.470 2.502 0 1 FFAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 36384288 WOJKZHLHWCBGEV-DZGCQCFKSA-N 359.426 2.574 0 3 FFAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@@H]1COC(=O)C1=C[C@H]1O[C@@H]21 14690157 ZTYBQWLDCYNQKE-IHETXDGRSA-N 350.326 2.868 0 1 FFAF biogenic COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2cc(C)c(C)cc2OC1 1911576405 ROMHAQVJFWXKFK-HNNXBMFYSA-N 364.781 2.645 0 1 FFAF O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2Cc2ccccc2)cc1F 73167748 LNGVCITZHNUMFO-UHFFFAOYSA-N 374.799 2.999 0 1 FFAF COc1cc2nc(N3CCCCCC3)nc(NC[C@H](C)O)c2cc1OC 82129598 FXHVGZBMJBFARU-ZDUSSCGKSA-N 360.458 2.820 0 1 FFAF CCc1c(F)c(N2CCN[C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 40639918 HCWDBYFJHFDLPF-NSHDSACASA-N 373.428 2.534 0 1 FFAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1 199213914 SKPDFFWTGHLEGA-GOSISDBHSA-N 353.451 2.821 0 3 FFAF Cn1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 146154016 KCRIWCAXODSLRH-FGDXXIHYSA-N 364.421 2.733 0 1 FFAF CC(C)(C)c1cc(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)no1 148462428 MIBQXOPDHBSXEI-UHFFFAOYSA-N 367.409 2.708 0 1 FFAF CCO[C@@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@H]2O1 257514721 PPRSMUWPTLLGMJ-VGEBCVCESA-N 358.346 2.516 0 1 FFAF endogenous,in-man COc1cc(O)c(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1O 73138386 SLQULBLJRHRPIS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro Cc1ccc(Cn2nccc2-n2c(S)nnc2-c2cc(C)n(C)n2)cc1 653707175 PFDBRRYDVYLJMX-UHFFFAOYSA-N 365.466 2.818 0 1 FFAF Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(=O)n(C)c1=O 587107333 QWXGUSMOBGTUKR-UHFFFAOYSA-N 369.380 2.511 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@H](O)c1ccccn1)[C@@H](C2)C3=O 587436453 RIYYSHLYXLNMDQ-ARBPTSGCSA-N 374.396 2.862 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617206 JDFLXVDYTSEEFG-DKSSEZFCSA-N 372.398 2.771 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)C2)N1 587844736 OWDAUFCRIDPDPH-YMTOWFKASA-N 362.264 2.526 0 1 FFAF C[C@]1([C@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CCCO1 962636111 OZWWTKDOFMGPHV-IUIKQTSFSA-N 359.344 2.968 0 1 FFAF COc1ccc(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1OC 206278029 OIIIWSLMRDPLGW-UHFFFAOYSA-N 356.426 2.821 0 1 FFAF CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(OC)cc3)n12 1772618390 AROOUARGNSNYHD-UHFFFAOYSA-N 364.409 2.989 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3COC3)c2cn1)c1ccccc1 1772613160 ODKNZTQWSGIRMU-LLVKDONJSA-N 352.398 2.651 0 1 FFAF CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(C(=O)OC)cc2)C1 12225221 JLCSYEGSHHPTKD-HXUWFJFHSA-N 363.454 2.655 0 1 FFAF Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12836398 AZHBDAIXOQIHQZ-QGZVFWFLSA-N 374.529 2.957 0 3 FFAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1cc[nH]n1 13583755 LPCGHHLAMWHRLH-ZDUSSCGKSA-N 364.446 2.783 0 1 FFAF COc1cccc2cc(-c3csc(NC(=O)CCC(=O)O)n3)c(=O)oc12 2956407 BXYRIHMLJNIOQB-UHFFFAOYSA-N 374.374 2.728 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632815 PDTXNUCBVNUQKF-WFASDCNBSA-N 371.437 2.894 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)c2ccccc2)CC[C@@]1(C)O 2356288635 IFPSLPNCXWJTBQ-SFHLNBCPSA-N 352.434 2.530 0 1 FFAF CCN(CC)C[C@@H](O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 103253505 RVXYJDHJRGVGDC-OAHLLOKOSA-N 357.479 2.828 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 2356305161 QGYJXIIXLFFBIC-LNLFQRSKSA-N 358.463 2.591 0 1 FFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)C1CCC1 2356320454 IKVDYCUBXDJEJH-HBFSDRIKSA-N 370.449 2.709 0 1 FFAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 61895760 ZBUZTGFOEJEKJI-HXUWFJFHSA-N 357.454 2.715 0 3 FFAF COc1ccc(OC)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 113423529 VKWQZGRRUPRTDS-UHFFFAOYSA-N 363.421 2.932 0 1 FFAF COc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3 118733212 WZKUMZLASCIXEQ-UHFFFAOYSA-N 359.470 2.752 0 1 FFAF C[C@@H](CCc1ccccc1)NC[C@H](O)c1cc(C(N)=O)c2c(ccn2C)c1 25969555 IIVGKARVLHONDS-YWZLYKJASA-N 365.477 2.922 0 1 FFAF C[C@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccc(Cl)c(O)c2C3=O)[C@H]1O 13384400 VYZRGVNZHYVQDP-XHLQUELWSA-N 372.760 2.783 0 1 FFAF biogenic CCCCN1CCC(CNC(=O)c2nn(C)c3ccc(OC)cc23)CC1 95566038 GUOKKWNENBZKED-UHFFFAOYSA-N 358.486 2.824 0 1 FFAF COc1ccc(NC(=O)[C@@H](C)Nc2nc(O)c3cnn(C(C)C)c3n2)cc1 299821467 KLHLRJAOLFHKPQ-LLVKDONJSA-N 370.413 2.561 0 1 FFAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)cc1F 653708763 SULFPXPHULPMFM-UHFFFAOYSA-N 366.308 2.570 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)C2)N1 587843861 KRAXWVQUNKNUDU-LKFCYVNXSA-N 362.264 2.526 0 1 FFAF COc1cncc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587093770 GPTJZEJHSGCIOC-ZDUSSCGKSA-N 358.345 2.724 0 1 FFAF CN(C)CCOc1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586968147 KNLQKYULNWPKQH-UHFFFAOYSA-N 372.450 2.742 0 1 FFAF CCOc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 587439156 KAODAZMWLMPBFT-VLIAUNLRSA-N 351.358 2.689 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2nc(Cl)ccc2[nH]1)C(F)(F)F 587127326 QODFBDFCLNJJEA-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF C[C@H](O)c1ncc(-c2nc3cc(I)cnc3[nH]2)s1 587020884 CAZYTENDDAHZBR-YFKPBYRVSA-N 372.191 2.739 0 1 FFAF N=c1[nH]c2nc(-c3ccnc(Br)c3Cl)nc-2c(Cl)[nH]1 587005788 SNWBGGDGGUBKGT-UHFFFAOYSA-N 360.002 2.848 0 1 FFAF COc1ccc2c(c1)OCC[C@@H]2[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963473265 SNMISERFLDSARU-KNBMTAEXSA-N 369.417 2.916 0 1 FFAF CS(=O)(=O)N1CCCC[C@H]1[C@H](O)Cn1c2ccccc2c2ccccc21 223901511 AITVKXKDZNBQNA-VQTJNVASSA-N 372.490 2.970 0 1 FFAF NC(=O)c1cc(-c2ccccc2)cc2c([C@H]3CCS(=O)(=O)C3)c[nH]c12 114234026 VRUTUTVCAHXNHV-ZDUSSCGKSA-N 354.431 2.836 0 1 FFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 169710810 UACZLMCCPCBKDO-BETUJISGSA-N 374.482 2.718 0 1 FFAF COc1cc(O)c2c(=O)cc(-c3cc(O)c(OC)c(OC)c3O)oc2c1 200748078 WSAZAPMVZIUHBL-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF O=C(c1cscn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857601568 OIAYOTAFVSEDOQ-KRWDZBQOSA-N 368.462 2.955 0 1 FFAF Nc1c2c(nc3c1[C@@H](c1ccc4c(c1)OCO4)NC(=S)N3)CCCC2 1857631707 HCMONNLOJLHXAS-MRXNPFEDSA-N 354.435 2.661 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 205499936 AALLCALQGXXWNA-JEAKYOOPSA-N 358.390 2.533 0 1 FFAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCCO)cc1 2481005 JFGFUQXTCGSGMB-UHFFFAOYSA-N 368.389 2.748 0 1 FFAF Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@@H](C)C2)cc1 7991324 MWJLRINFFZYKNN-UYAOXDASSA-N 371.525 2.724 0 3 FFAF COc1c(C)cc(Cc2c3nc(N(C)C)nc-3ccn(C)c2=O)cc1C 64393091 IOCZNTWKRGCARB-UHFFFAOYSA-N 352.438 2.562 0 1 FFAF NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CCCNC4)cc3)nc2c1 28960150 AMTUNJZIRPFUCY-ZDUSSCGKSA-N 350.422 2.707 0 1 FFAF COc1cc2c(cc1OC)[C@H](O)[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 26974858 ZEMPGHLRDGSFGK-UXHICEINSA-N 371.433 2.964 0 1 FFAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@]5(CNC(=O)C5)C4)c23)c1 210709859 RRUCJMTTXOEWQO-OAQYLSRUSA-N 372.432 2.603 0 1 FFAF CCOC(=O)COc1cccc(/C=C2\N=C3SCCCCN3C2=O)c1 38345268 PHXLKIQQLZJXSP-PTNGSMBKSA-N 360.435 2.695 0 1 FFAF COc1cc(C(=O)c2c(N)oc3c(O)c(OC)ccc23)cc(OC)c1OC 72179665 WHIZKSTYGYPORO-UHFFFAOYSA-N 373.361 2.986 0 1 FFAF CC(C)O[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272156 JOGNZBYMBUCNPQ-OAHLLOKOSA-N 352.822 2.843 0 1 FFAF CN1CCN(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 40403868 NWMTXPXFLDKJKF-UHFFFAOYSA-N 374.554 2.797 0 1 FFAF CCN(c1nc(=O)c2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2[nH]1)C(C)C 222361609 FUOLJDPZDKQMEX-LLVKDONJSA-N 365.437 2.957 0 1 FFAF CC(C)[C@]1(c2ccc(-c3ccc4c(ccn4C)c3)[nH]c2=O)OC(=O)NC1=O 84690908 UFGZUAACSOMAKB-HXUWFJFHSA-N 365.389 2.651 0 1 FFAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 82141989 NFPQNUIGMNYVEP-HUUCEWRRSA-N 370.453 2.691 0 1 FFAF C[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142909989 GPAXDYNOSUVDDO-LLVKDONJSA-N 368.359 2.970 0 1 FFAF COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 299820978 RMYJHKWCNASDMS-YVSFHVDLSA-N 362.445 2.739 0 1 FFAF COC[C@]1(CCCCC2OCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587457145 ZSGSNMJDNRXAAJ-QRWLVFNGSA-N 362.422 2.761 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(C)c(Br)cc2[nH]1 586942933 UGVFHJPVFAPJDU-UHFFFAOYSA-N 360.277 2.506 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)nccc3[nH]2)cc1 586940201 WYTAVDBNYCMZFI-LLVKDONJSA-N 360.439 2.710 0 1 FFAF Nc1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 587940075 JBSHUIJEKIUWOJ-UHFFFAOYSA-N 362.183 2.589 0 1 FFAF Cc1cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 586928973 PEXPYSXUMIRMDM-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF COC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620293 XXUIOSLKHZCLJC-HGQUKEQDSA-N 372.398 2.629 0 1 FFAF Fc1cc(F)c2[nH]c(-c3nccnc3I)nc2c1 587186631 LUELDLQFLBFXFW-UHFFFAOYSA-N 358.089 2.903 0 1 FFAF O=C1NC(n2nc3cc2Oc2ccc(F)cc2-3)=NN/C1=C/c1ccccc1 587875183 HKAMXWOFWFTPEY-OVCLIPMQSA-N 361.336 2.675 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)c4cccnc4-c4ncccc41)[C@@H](C2)C3=O 587436801 UCYHOJLJEQJHPS-NYHFZMIOSA-N 370.364 2.991 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CS(=O)(=O)N(C)C)(C(C)C)CC2=O 587486075 LHPMGISFFWQCMV-GOSISDBHSA-N 369.483 2.596 0 1 FFAF Cc1nn(CCO)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579564 DRQZMZPWUOJUTH-FXAWDEMLSA-N 366.373 2.592 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)ncnc3[nH]2)C(F)(F)C1 587132039 HXYWZVPYGJTGRX-SSDOTTSWSA-N 359.764 2.976 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)N(C)C)c1)O2 587408852 IZQXSXYTFKTGRB-QGZVFWFLSA-N 360.435 2.534 0 1 FFAF Cc1nn(C)cc1-c1ccnc(-n2ncc3ccc(Cl)cc3c2=O)n1 587652862 LLVVHYHOXFTUHV-UHFFFAOYSA-N 352.785 2.538 0 1 FFAF COc1ccc2c(c1)[C@H](C1CCN(S(C)(=O)=O)CC1)N(C(C)C)CC2 962085891 BAOUKGUONKVYOD-IBGZPJMESA-N 366.527 2.674 0 1 FFAF O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(F)cc4C3)cn2)c1 225922181 ZGPYPJSEAHWBHB-UHFFFAOYSA-N 352.369 2.798 0 1 FFAF COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43 14827760 ODBHRWMYWUAHLS-DXBBTUNJSA-N 364.445 2.635 0 1 FFAF biogenic,in-vitro COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1O 205968203 PCORINVZPPTZMW-UHFFFAOYSA-N 358.302 2.617 0 1 FFAF Cc1ccc(OCc2cnnn2C2CCN(Cc3ccccc3)CC2)nn1 1857557653 OXCMSGLMMPOIGH-UHFFFAOYSA-N 364.453 2.793 0 1 FFAF CC=CC1=Cc2ccccc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 1857622835 KIFSNTZKPAYVOZ-INIZCTEOSA-N 359.378 2.689 0 1 FFAF CCc1nc2c(N3CCNCC3)ccnc2n1CCc1cccc(F)c1 1857631127 UQZVETAHNPGFLD-UHFFFAOYSA-N 353.445 2.785 0 1 FFAF Cc1cccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc12 205942012 WVUAUUZYSXNDLD-UHFFFAOYSA-N 364.449 2.708 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]1[C@H]1C(=O)Cc2c1ccc1c2OCO1)OCO3 2356321396 LHPNQYJYGLYMGX-WOJBJXKFSA-N 365.385 2.582 0 1 FFAF Cn1c(C(=O)O)c(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 3660278 RZIXCUMFPILECJ-UHFFFAOYSA-N 366.373 2.829 0 3 FFAF CC(C)(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356287156 DCJUSMHCVAOJFT-AOIWGVFYSA-N 372.465 2.955 0 1 FFAF CONC(=O)O[C@@H](c1ccccc1)c1cccc([C@@H](C)C(=O)NOC)c1 53243953 TXLUVNBOLSPGOX-DYVFJYSZSA-N 358.394 2.845 0 1 FFAF Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21 22924636 KIBTUVSBDSDCNM-UHFFFAOYSA-N 367.518 2.960 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](O)[C@@H]12 2356713453 JFROLRTYTSCKNK-HEVZGFMXSA-N 362.466 2.893 0 1 FFAF COC(=O)[C@@H]1[C@H](CO)[C@@H]2C(c3ccccc3)=C[C@H]1CN2Cc1ccccc1 2356723521 LYFMPIOFKDBKLF-QESAQDPVSA-N 363.457 2.982 0 1 FFAF CN(CC[C@H]1CN(C(=O)c2ccno2)CC[C@@H]1CC(=O)O)c1ccccc1 2356814336 CAKJYGVHEYUTOE-CVEARBPZSA-N 371.437 2.754 0 1 FFAF Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@@H](O)OC3=O 14514498 CSGRLGAFZYJPSG-SFHVURJKSA-N 358.302 2.509 0 1 FFAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)C[C@H]3O 14921212 JOCWWTNEHQHRAA-DZGCQCFKSA-N 357.406 2.661 0 1 FFAF biogenic NC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2 84538163 CLDWONFNPPHGLD-INIZCTEOSA-N 365.368 2.915 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC2CC2)cc1 95894812 OIEGYFAFDUVRDN-ISSXUCTQSA-N 370.493 2.701 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 587198908 QCDAOERWUZGNMT-INIZCTEOSA-N 352.504 2.900 0 1 FFAF COc1cccc(C[C@@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440196 BADRSQLYFJQVFW-FOIQADDNSA-N 354.358 2.517 0 1 FFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CCOC3)[nH]c2c1 586913101 MMTBDPUNNISLMG-LBPRGKRZSA-N 373.434 2.876 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N(C)C)c1)O2 587409537 MCHXQUVJQHPQHI-IBGZPJMESA-N 374.462 2.708 0 1 FFAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425925 IEMXDQCWWRNBQN-BLVKFPJESA-N 360.312 2.789 0 1 FFAF CCOC(=O)[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351358 UGGYRBSPPHNKPB-XLIONFOSSA-N 372.348 2.781 0 1 FFAF CCOC(=O)/C=C1/C(=O)N(C(=O)OC)c2ccc(Br)cc21 169328901 RNZNCDXJAJMAQJ-JXMROGBWSA-N 354.156 2.509 0 1 FFAF CCOC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 606678 VUNIQTZWDNPPMT-OAHLLOKOSA-N 353.216 2.728 0 1 FFAF CCNc1nc2cc(OC)c(OC)cc2nc1NCCCN1CCCC1=O 115764970 SUVJUICGEAFXEP-UHFFFAOYSA-N 373.457 2.503 0 1 FFAF COC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(C)C(=O)OCc1ccccc1 29336383 NTFJSFAGMHDILF-RBUKOAKNSA-N 371.433 2.790 0 1 FFAF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 78825643 NDYAXPIAEFCPMJ-HZPDHXFCSA-N 360.366 2.779 0 1 FFAF Cc1ccc(OC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)cn1 219824971 JQPBGRKMTKYABC-SLFFLAALSA-N 352.434 2.800 0 1 FFAF Oc1ccc2nc(N3CCNCC3)nc(NCCCc3ccccc3)c2c1 45227074 QIWGOOLIUJMJLI-UHFFFAOYSA-N 363.465 2.790 0 1 FFAF CC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2 43120083 TVAGAOCIGSANAH-UHFFFAOYSA-N 374.510 2.733 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 40949762 NYZNFOXDFMTATA-UHFFFAOYSA-N 364.511 2.717 0 1 FFAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434745 AKIIPZPHHNJELP-KGLIPLIRSA-N 358.463 2.559 0 1 FFAF biogenic O=C1NC(=O)[C@H](Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1 299853111 FYCNMUUDXCHKNR-HNNXBMFYSA-N 369.402 2.742 0 1 FFAF C[C@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccccc1O 299828932 SMJRVISIMGPMFJ-WKWVNEEDSA-N 355.390 2.599 0 1 FFAF CCOC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1 653873387 KBJPRDUCMRPPCP-UHFFFAOYSA-N 369.446 2.689 0 1 FFAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CN)c1 653687597 LMMFJKQNMMSHMO-AATRIKPKSA-N 372.421 2.789 0 1 FFAF COc1c[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1=O 587772942 PSWGYZGJPFZRDY-PWJLMRLQSA-N 367.218 2.909 0 1 FFAF COC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 587164818 BVCHZBJJUTUIFU-UHFFFAOYSA-N 351.341 2.795 0 1 FFAF CCN1c2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CS1(=O)=O 587408788 DLVLLCLETFOWOW-LJQANCHMSA-N 372.446 2.608 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCOCC2)N1 587769974 ZVSGTEVMHUJCMW-MEDUHNTESA-N 357.267 2.670 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 587954955 FWPPCKHHMNVART-UHFFFAOYSA-N 367.471 2.685 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1cnn(C)c1)(c1ccccc1O)[C@@H](C2)C3=O 587429824 BASXHAKNTTVRQV-KKSFZXQISA-N 362.385 2.826 0 1 FFAF CSc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958838 LTFCPTWNXLTWFZ-MRXNPFEDSA-N 363.464 2.754 0 1 FFAF COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 587609581 NXJXYRRGACQCQK-VQIMIIECSA-N 356.374 2.918 0 1 FFAF COCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575825 GMGBFKJYIBQSCV-APWZRJJASA-N 366.373 2.938 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587232319 WQTQTSWQDCWXBW-KGLIPLIRSA-N 373.453 2.761 0 1 FFAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cc2c(cn1)OCO2 961324652 MWHPTVLNVLUYOA-HXUWFJFHSA-N 356.422 2.803 0 1 FFAF CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)cc21 5930099 HRUIQWXIUSSRCD-RYUDHWBXSA-N 361.417 2.606 0 1 FFAF O=C(CCc1ccccc1)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 13529222 YUMSKDDWUGOWTE-HXUWFJFHSA-N 369.461 2.574 0 1 FFAF COc1ccc2c(c1)C[C@@H](CN1CCN(c3ccccn3)CC1)CC2=O 13589198 QBAMJMVYHOCCMG-MRXNPFEDSA-N 351.450 2.658 0 1 FFAF O=C1NCCn2c(-c3ccc(CN4CCCCC4)cc3)nc3cncc1c32 1857605895 PXRMBQQQUKXLOM-UHFFFAOYSA-N 361.449 2.828 0 1 FFAF Cn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccc(Cl)cc21 4920861 JQMTVXRBWTXMIB-UHFFFAOYSA-N 373.865 2.995 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3c(O)c2C[C@H]1O 2356753320 MNLJIMJUILKMPY-CQSZACIVSA-N 370.357 2.651 0 1 FFAF O=C(CN(O)c1ccccc1)Nc1cccnc1C(=O)Nc1nccs1 28340226 CAMGKCIOAVRNAK-UHFFFAOYSA-N 369.406 2.625 0 1 FFAF Cc1ccc(F)c(Nc2nccc(-c3ccc(S(N)(=O)=O)cc3)n2)c1 64503904 RQQPWZPNFCJSRC-UHFFFAOYSA-N 358.398 2.982 0 1 FFAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 79800079 QVGAECMHUSHDCG-GOEBONIOSA-N 371.393 2.796 0 1 FFAF N=c1[nH]c2nc(SCc3ccccc3)nc(N3CCC[C@H]3CO)c2s1 1911582973 CQVGVNLYAXDBKR-LBPRGKRZSA-N 373.507 2.752 0 1 FFAF O=C(NCCCC[C@H](NC(=O)c1ccco1)C(=O)O)OCc1ccccc1 40940491 QFDZSKGCCKALKW-HNNXBMFYSA-N 374.393 2.559 0 1 FFAF NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCNC1 40862432 OCLKNWCGOVQNMO-LBPRGKRZSA-N 362.430 2.527 0 1 FFAF CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(CC)n1 82069121 FVHGSGBQAHICSX-HNNXBMFYSA-N 359.495 2.963 0 1 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@]34CC(=O)[C@@H]1C[C@]23Cc1ccc(O)cc14 195383770 WWZJATZYCGKHLQ-IDZYALCFSA-N 351.446 2.609 0 1 FFAF c1cc2[nH]cc(-c3cnn([C@@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 146789924 IHVVBOOGHQYYMM-CQSZACIVSA-N 354.410 2.946 0 1 FFAF CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CC[C@H](O)C3)nc2)cc1 96270035 AKDGDOFQGWPFQD-KRWDZBQOSA-N 369.465 2.968 0 1 FFAF C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(OC)cc14 238761602 CWRHADRMQPQCJO-WUIKTMGQSA-N 352.434 2.840 0 1 FFAF COc1ccc(Cn2nnc3c2[C@](C)(O)CC[C@@H]3OC(=O)NC(C)C)cc1 263620304 CDAJJINZTVFCPA-HNAYVOBHSA-N 374.441 2.512 0 1 FFAF in-vitro CCN(CCN(CC)c1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1 473090940 QJLWPLYRXQWLMO-UHFFFAOYSA-N 352.486 2.608 0 1 FFAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 587935728 UUQYAWTWMDYFNT-UHFFFAOYSA-N 369.446 2.791 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3ccc(F)cc31)O2 587386368 XTGWEKVULQLJDQ-GOSISDBHSA-N 361.394 2.754 0 1 FFAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)nc2cccc3c2c1CC3 587211047 KLXPYMQITVHMEM-KRWDZBQOSA-N 352.434 2.650 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nn2)N1 587794505 MTYWODSRGGNHOT-VXJOIVPMSA-N 352.207 2.882 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 587824375 BJJKMSCBPGRHCK-DOZZXWOPSA-N 370.218 2.772 0 1 FFAF Cn1cc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587276599 OMNHJHXKZOPDKE-UHFFFAOYSA-N 370.590 2.701 0 1 FFAF COc1cc2c3c(c1)O[C@@](CC[C@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587431338 FPVCRVDVJQGUCY-QYWGDWMGSA-N 367.401 2.530 0 1 FFAF CCn1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587276682 RBSBSTGHOMDWCL-UHFFFAOYSA-N 350.172 2.530 0 1 FFAF O=C(O)c1cccc2c1CCN[C@@]21C[C@@H](C(=O)O)Oc2ccc(Cl)cc21 963118258 BCWNAMWPYDGSSK-LPHOPBHVSA-N 373.792 2.663 0 1 FFAF COCC(=O)N1CCOc2c(cc(-c3cccc(OC)c3)cc2OC)C1 12037130 NLPLPTJEVHPOGB-UHFFFAOYSA-N 357.406 2.738 0 1 FFAF Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)CC2)cc1 15076750 WJVUYTCEKMRIDI-MRXNPFEDSA-N 356.466 2.766 0 3 FFAF CC[C@H]1Cc2cc(OCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857656393 OEFTWGNHWKMKKW-ZDUSSCGKSA-N 373.405 2.755 0 1 FFAF CC(C)[C@@]12CC[C@]3(O1)[C@](O)(CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C)[C@H]2O 2356332462 FUMZEAQEADDMAG-TXOKOKHKSA-N 352.471 2.727 0 1 FFAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@H](C)[C@H](O)c1cc2c(cc1O)OCO2 2356386826 XKIPVJSCMKBSDW-FMSYWXEFSA-N 374.389 2.889 0 1 FFAF CC(=O)Nc1ccc2c(Cl)c(OCCCSC(=N)N)oc(=O)c2c1 28757357 XHPIXEQBGBOZFH-UHFFFAOYSA-N 369.830 2.800 0 1 FFAF COc1ccc([C@H]2C=C(c3cccnc3)Nc3ncnn32)c(OC)c1OC 102794985 FUPBSIKRZWICGJ-OAHLLOKOSA-N 365.393 2.755 0 1 FFAF CN1CCC(N2CCC[C@@H](NC(=O)c3ccc4cccc(F)c4n3)C2)CC1 23338435 AABFTTYIPAYHEL-MRXNPFEDSA-N 370.472 2.662 0 1 FFAF O=C(O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)NCCCO 26509026 QAZJFVWJXZJTMB-WOJBJXKFSA-N 369.461 2.678 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]12 2356481702 YWULOMNQOWMRFL-XBSWOTBGSA-N 368.433 2.884 0 1 FFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@H]1C)N(C(C)=O)C(NC(C)=O)=N2 2356566699 QDAPAVNNGPQYEF-DBDYQOSUSA-N 373.497 2.891 0 1 FFAF Cc1cccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)n1 2356572378 ZOTWNIPFZZRFBZ-IBGZPJMESA-N 354.429 2.651 0 1 FFAF O[C@@H](CO[C@H]1CCN(c2ccccc2)C1)CN1CCc2ccccc2C1 220891371 NJJSVLOISQQQMO-YADHBBJMSA-N 352.478 2.701 0 1 FFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C 95894850 NNDLDBAPAQCFGH-JAXLGGSGSA-N 372.509 2.554 0 1 FFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1 141293970 YAHZRBSLBAJZOS-ZDUSSCGKSA-N 367.405 2.735 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4nnco4)ncc23)ccn1 261131711 LHZISXSYRSSCDE-JTQLQIEISA-N 364.369 2.594 0 1 FFAF C=CCC1=C[C@]2(OC)[C@@H](O)[C@H](C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C 43123352 DMQHLPFSYZSVNQ-OTOQURRLSA-N 372.417 2.605 0 1 FFAF biogenic O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)c2ccccc2c1O 653727815 KFYCLGDNWSQMFJ-UHFFFAOYSA-N 357.387 2.722 0 1 FFAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586937989 HWIMBCIKODYNQC-NSHDSACASA-N 361.471 2.633 0 1 FFAF O=S(=O)(CCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc2c(c1)CCC2 586921858 GXPAPGYVRYEKEI-UHFFFAOYSA-N 370.430 2.797 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4cccnc4-c4ncccc41)[C@@H](C2)C3=O 587436803 UCYHOJLJEQJHPS-OYHNWAKOSA-N 370.364 2.991 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596411 OLWYSMWCQQGKPQ-HAELCTKSSA-N 354.358 2.922 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(=N)N)ccc2[nH]1 587038887 NNAGYMLPUWZAPU-UHFFFAOYSA-N 359.415 2.712 0 1 FFAF CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)c2c(cnn2C)CCN1C 963956332 WJMJXGIFWPWEDG-HXUWFJFHSA-N 353.422 2.764 0 1 FFAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 1772630351 UAOAZHODUCLNFA-JKALPCAWSA-N 373.412 2.971 0 1 FFAF Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1OCC(F)(F)F 150041246 GCGOMBVXSHFRKN-CYBMUJFWSA-N 372.322 2.961 0 1 FFAF COc1ccc(CCCN[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1OC 209037961 VCXYAFYYEPQPBY-MOPGFXCFSA-N 362.514 2.869 0 1 FFAF COC(=O)c1c(Nc2cccc3ccccc23)c2nccnc2n(O)c1=O 1857745655 DRPGWTLQWVDMSX-UHFFFAOYSA-N 362.345 2.712 0 1 FFAF COc1cc2c(cc1OC)C(C(=O)c1ccc(OC)c(OC)c1O)=NCC2 8681859 MTWWSXYKTVPYHC-UHFFFAOYSA-N 371.389 2.655 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@H]2O)CCN[C@@H]13 28368943 JRMOEWHIBBNYTF-QBTXCOICSA-N 354.450 2.507 0 1 FFAF C[C@@H](NC(=O)COc1ccccc1)[C@@H](c1ccccc1)N1CCN(C)CC1 22037026 GSXGNYVFFZYRNV-GCJKJVERSA-N 367.493 2.559 0 3 FFAF NCC1(c2ccc(Cl)c(Cl)c2)CCN(c2cc(N)ncn2)CC1 103238971 COSCWMOBFOBSAO-UHFFFAOYSA-N 352.269 2.863 0 1 FFAF O=C(O[C@@H]1CCCN(CCF)C1)C(O)(c1ccccc1)c1ccccc1 27520971 KDHBCIPPYVMWKR-LJQANCHMSA-N 357.425 2.900 0 1 FFAF CC[C@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NCc1ccccc1 28111652 KDEIKFGXYSUMPJ-KSSFIOAISA-N 365.437 2.720 0 1 FFAF COc1cc2sc(-c3c(NCCCN(C)C)n[nH]c3N)nc2cc1F 114399514 YSHHIEMQIKWERK-UHFFFAOYSA-N 364.450 2.780 0 1 FFAF C[C@@H]1C[C@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccco1)OC2=O 2356566844 WXMNNRDFSZJCML-KUBTZLGMSA-N 358.390 2.534 0 1 FFAF CCCC(=O)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1 71329670 IRSWOKLDQKMQMX-UHFFFAOYSA-N 366.425 2.959 0 1 FFAF CCN1C(N(C)CCOC)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C 36381704 SUELGRGYHFUSGX-KRWDZBQOSA-N 363.433 2.584 0 1 FFAF Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)NCc3ccco3)c2)c(C)o1 74387745 HNNGJDUHHLHHLU-UHFFFAOYSA-N 370.409 2.990 0 3 FFAF COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 36382957 LTEXTZHUDRACKE-INIZCTEOSA-N 360.435 2.566 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2ccco2)co1 82073741 WBELRQIRMZTPFO-UHFFFAOYSA-N 353.378 2.631 0 1 FFAF Nc1cccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)c1 1911571395 NFGHRHNIQQKEPA-UHFFFAOYSA-N 352.415 2.814 0 1 FFAF CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1 1911585465 PKYCMFOYEJSVPY-UHFFFAOYSA-N 358.822 2.980 0 1 FFAF CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cncnc3)cc2n1 45291076 FVGMXEKHKSNPMB-UHFFFAOYSA-N 374.408 2.698 0 1 FFAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 82141826 DBFWDRCSIMUFNZ-GJZGRUSLSA-N 372.469 2.985 0 1 FFAF O=Cc1c(O)ccc2nc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12 221063080 QMNIYQHUTOAURF-UHFFFAOYSA-N 362.385 2.892 0 1 FFAF CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 142477747 ASWVFCLTLBSMFB-UHFFFAOYSA-N 374.872 2.607 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cn2)cn1 96175481 NIQOKVZHXWVXBW-UHFFFAOYSA-N 363.425 2.574 0 1 FFAF CCCCCCCCCCCCNC(=O)[C@H]1CCN1C(=O)[C@@H]1CCN1 148517597 KSHMXPLRJFLYJK-ZWKOTPCHSA-N 351.535 2.986 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)[C@@H]3C(=O)O 587206036 GQXRYTFSHAUQNA-SJCJKPOMSA-N 359.337 2.871 0 1 FFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)c(F)c(F)c2[nH]1 586950563 YYXNUFQWPXJQRB-UHFFFAOYSA-N 355.341 2.943 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587141144 YBNGFKSTYOYCFD-UHFFFAOYSA-N 362.430 2.982 0 1 FFAF COCCN1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342942 HZGVDFWRDRWUGN-FPOVZHCZSA-N 371.408 2.981 0 1 FFAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)o3)nc12 587007131 VWFNAGBJLREFEP-UHFFFAOYSA-N 370.228 2.836 0 1 FFAF O=C(O)CCc1ccccc1C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1c1nc(CO)co1 169367760 CVGQJRKPOPBTLN-YWTNHNAXSA-N 357.406 2.688 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CO)OC2 169355834 IVJQHPFJFSRCHY-BFBMHGIHSA-N 356.418 2.753 0 1 FFAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H](c2ccoc2)NC(=O)N1 1857541559 BEYCMHLJJZPGDK-QMMMGPOBSA-N 372.221 2.944 0 1 FFAF COC(=O)C[C@@]1(CC=C(C)CCC=C(C)C(=O)OC)C[C@@H](O)CCC1=O 2356347466 SMSSMOBWKOFJTJ-OXJNMPFZSA-N 366.454 2.886 0 1 FFAF Cc1ccc2[nH]c3c(=O)n(CC(=O)N(C)Cc4ccccc4)ncc3c2c1 6997423 ZCNLMVXWQFRDHN-UHFFFAOYSA-N 360.417 2.845 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@H]2CC[C@@H]1N2C 56727965 LDJPMOIHMAEPSX-HKCMKHECSA-N 353.260 2.771 0 1 FFAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 26279152 YKLOEMVVJJXXQV-HNNXBMFYSA-N 370.324 2.774 0 1 FFAF COC1=C[C@@H]2C=C(Oc3ccc4ccc(=O)oc4c3)C(=O)O[C@@H]2C=C1O 2356649664 UJRSXAFBORHKBS-IAQYHMDHSA-N 354.314 2.583 0 1 FFAF COc1c(OCC=C(C)C[C@@H]2C[C@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 2356721160 WIKPBGTZLCOVAL-VLIAUNLRSA-N 374.389 2.583 0 1 FFAF N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 2356863531 URIBLDHSENNEEW-XMTFNYHQSA-N 356.378 2.521 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 61904083 KPJQAKCEEBKRAG-NRFANRHFSA-N 354.450 2.845 0 3 FFAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(OCCN)nc2n1 73294829 RMLFVQOPJATTMK-UHFFFAOYSA-N 352.320 2.533 0 1 FFAF CC[C@@H]1C[C@H](CO)C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@H]12 14508623 MGINSSIKKGMDGW-XVYTYHMNSA-N 356.466 2.522 0 1 FFAF biogenic COc1cc2c(cc1OC)[C@@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 85924044 KAYRJPGARKNUEX-OFDJRRKYSA-N 356.418 2.874 0 1 FFAF endogenous,in-man COc1cc2c(cc1OC)[C@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 85924032 KAYRJPGARKNUEX-YBSUSMHESA-N 356.418 2.874 0 1 FFAF endogenous,in-man C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC 238757341 GTQAUWWSOKGAGH-REPNLMGLSA-N 350.411 2.573 0 1 FFAF COc1ccc([C@H](O)C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1 95503120 OAYSUWARRNMLHR-SFHVURJKSA-N 357.454 2.912 0 1 FFAF CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12 653853882 DKAGCDSWFBUTQH-UHFFFAOYSA-N 374.441 2.590 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@]2(C)CC[C@@]1(C(=O)O)C2(C)C 587406314 GDKGKNXHFOLDJR-AQNXPRMDSA-N 357.406 2.761 0 1 FFAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C 587761280 OZPMQYJNCLJULW-ABKXIKBNSA-N 353.235 2.736 0 1 FFAF CCOC(=O)c1cn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517645 RPGNLCOXFDPTGN-HXUWFJFHSA-N 369.421 2.758 0 1 FFAF COc1cc2c3c(c1)O[C@](CO)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587424337 ZDENBQRYEHPSDA-ORAYPTAESA-N 360.793 2.992 0 1 FFAF O=C(O)CCN(CCc1nc2cc3cn[nH]c3cc2[nH]1)Cc1ccccc1 587193206 FJJKHDVARDPFFL-UHFFFAOYSA-N 363.421 2.959 0 1 FFAF CCOc1cc(C(=O)OC)ccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963130994 MABRHLHMURELAC-GOSISDBHSA-N 355.390 2.805 0 1 FFAF COC(=O)c1occc1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975691 MMOUJFFFIBLCNX-GXFFZTMASA-N 371.723 2.686 0 1 FFAF Cc1cc2c(cc1O)[C@@](C)(c1ccc3nc(O)sc3c1)N[C@H](C(=O)O)C2 963506173 FVVXGMUYERCGLM-IFXJQAMLSA-N 370.430 2.878 0 1 FFAF O=C(NCCOCc1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 116569032 HHYWEHHRTJICIQ-UHFFFAOYSA-N 363.301 2.589 0 1 FFAF CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=C3)n(Cc2ccccc2)c1=O 13648046 VDRIWCZLIFRTAN-CQSZACIVSA-N 350.422 2.796 0 1 FFAF COc1cc(CCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC 13740542 ICUYNYUOYHOQEB-UHFFFAOYSA-N 354.410 2.605 0 1 FFAF COc1ccc2c(c1OC)[C@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14931246 RUNAFDLOXRYAAQ-MSOLQXFVSA-N 355.390 2.676 0 1 FFAF biogenic Cc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@@H]2C3)c1 169351341 MIIIQNSWBUGKEY-INIZCTEOSA-N 367.474 2.521 0 1 FFAF C[C@@]1(c2nccc3cc4c(cc23)OCO4)O[C@@H](O)c2c1ccc1c2OCO1 1857634482 XSKSWXVBZOKSJK-WOJBJXKFSA-N 365.341 2.977 0 1 FFAF C[C@@H]1[C@H](O)c2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 2356454848 ZINGKVZTZNKXIN-UUVIPLOSSA-N 356.374 2.699 0 1 FFAF O=c1oc2ccccc2cc1C1=Nn2c(nnc2-c2cccnc2)SC1 4078958 HRCZFQANJVSIGR-UHFFFAOYSA-N 361.386 2.805 0 3 FFAF Fc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccc(Cl)cc1)N=2 104233136 OUPQXHRKUDPXBI-UHFFFAOYSA-N 350.784 2.615 0 3 FFAF COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC 66097440 JVOYTBSMGKEAKW-UHFFFAOYSA-N 356.357 2.937 0 1 FFAF Nc1nc(-c2cccc(N3CCC(=O)CC3)c2)cc2nc(-c3ccco3)nn12 28116185 AHQGDBSNVPNSCB-UHFFFAOYSA-N 374.404 2.803 0 1 FFAF COC[C@@H]1OC(=O)c2coc3c2[C@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@]2(C)CC1 14884766 GXVZXRZMWGYXMQ-XPLMGMITSA-N 370.401 2.995 0 1 FFAF biogenic CN1CCN(Cc2ccc3c(c2)Cc2c(-c4cscn4)n[nH]c2-3)CC1 36338817 XCXYBIJJLUQMMT-UHFFFAOYSA-N 351.479 2.852 0 1 FFAF COc1c(OC)c(O)c2c(=O)cc(-c3cc(O)ccc3O)oc2c1OC 14436611 PVSHCMCDBFRZFY-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 85846435 WWKLZOFMEXWTLT-VTGKAKKQSA-N 362.466 2.861 0 1 FFAF CSc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1 222648799 QBQWINYZTZZDNK-VHSXEESVSA-N 364.431 2.736 0 1 FFAF O=c1cc(N2CCOCC2)nc(NCc2c(Cl)cccc2Cl)[nH]1 95573736 AQHVBRKMOAEZAZ-UHFFFAOYSA-N 355.225 2.525 0 1 FFAF Cc1cc(C(=O)N2CC(O)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144814354 SSYZIHZCIIUPOL-GOSISDBHSA-N 363.335 2.590 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnncc3[nH]2)cc1 587040202 LOUUCYQJZWLUSH-HNNXBMFYSA-N 355.423 2.639 0 1 FFAF Oc1nncc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183963 MJHLLNRORMWKDK-SNAWJCMRSA-N 364.146 2.834 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CCC(=O)O)c1C)[C@@H](C2)C3=O 587432044 MIQWIMOQXIOCON-VBKZILBWSA-N 370.405 2.646 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 586939921 UGOXSJCYKWDLHP-LBPRGKRZSA-N 359.451 2.799 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587858458 QUUMKQRYUQKKBO-MIUALZABSA-N 374.275 2.996 0 1 FFAF CN(C)CCOc1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587782756 XYNRPHGFOIEMLE-UHFFFAOYSA-N 353.422 2.789 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(F)CCOC2=O)N1 587719624 LKKCGZXOSZBLSD-YIUPMNOESA-N 360.198 2.993 0 1 FFAF Oc1nc(O)c2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2n1 587782238 JWRXTFYXIMONKO-UHFFFAOYSA-N 350.334 2.716 0 1 FFAF CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928654 HGUQSZXQUOLGDO-UHFFFAOYSA-N 370.356 2.797 0 1 FFAF COC(=O)c1ccc2[nH]cc([C@@H]3NCCc4c(C(=O)O)cccc43)c2c1 963129477 FKIQWFFAISNFDW-GOSISDBHSA-N 350.374 2.888 0 1 FFAF COc1ccc(C[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)cc1OC 14642315 FDXPFHFRXMBVEU-GCKMJXCFSA-N 372.417 2.799 0 1 FFAF endogenous,in-man COc1cc2c(cc1OC)N1C(=O)C[C@]34C=CCN5CC[C@@H]2[C@]1(CC3)[C@@H]54 14692532 IWRWXSVJPLAGIK-FXLVCCLPSA-N 352.434 2.701 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169294916 FDKJSJGIAQCACZ-MJKUBCPDSA-N 365.429 2.652 0 1 FFAF O=C(O)CCc1ccccc1C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1c1nc(CO)co1 169367758 CVGQJRKPOPBTLN-SFNKJDCFSA-N 357.406 2.688 0 1 FFAF Nc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCOCC3)c12 1857539783 RMYRCCPKKWUBOU-UHFFFAOYSA-N 361.409 2.589 0 1 FFAF CCC1CCN(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857634314 XFQLTXDQLINPJQ-NHCUHLMSSA-N 373.541 2.669 0 1 FFAF CO[C@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857758001 FPDPQXHQERKGIO-KUHUBIRLSA-N 374.387 2.681 0 1 FFAF COc1ccc(OC)c(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)c1 767457 VIMPDHVDMWXZES-NRFANRHFSA-N 368.433 2.803 0 1 FFAF O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1ccc(Cl)cc1 2457689 VXJZFIIJKBGZIF-UHFFFAOYSA-N 365.798 2.679 0 1 FFAF CN(C)c1ccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@H]3C2)cc1 26169757 RATXHXJOHQAQHH-HXUWFJFHSA-N 363.461 2.725 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 27980561 UOFDPOPBEANSNM-NVXWUHKLSA-N 374.396 2.951 0 1 FFAF COc1cc(CCNCCCO)c(Br)cc1Br 103269927 FTAVHUYIZUOEHN-UHFFFAOYSA-N 367.081 2.735 0 1 FFAF CCCN1C[C@]2(CCN3CCc4cc(OC)c(OC)cc4[C@@H]3C2)OC1=O 29220303 OFLKDBKEMJBQBW-OXJNMPFZSA-N 360.454 2.998 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@@](O)(CO)[C@H]2CC[C@@H]13 118919797 MRRYTJCUHFJPKO-FLZHLAKRSA-N 350.499 2.697 0 1 FFAF CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 61929948 JHESQKWJKRGYJB-LBPRGKRZSA-N 358.360 2.964 0 3 FFAF OC[C@H]1CN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CCO1 34836638 JROIOLKNLAZRTG-OAHLLOKOSA-N 369.450 2.541 0 1 FFAF CC[S@](=O)C1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)[C@@H]3C=C1 238749327 MTBGIYVKFUMHIU-HADUYHBWSA-N 359.491 2.737 0 1 FFAF COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 96283747 UVEVEDKDYQVRGA-UHFFFAOYSA-N 369.329 2.761 0 1 FFAF C[C@]1(c2cccc(O)c2)O[C@H]2N3[C@H]1OC[C@H]3O[C@]2(C)c1cccc(O)c1 299829016 JSZCJTFFFLFQBJ-USYVTKNRSA-N 355.390 2.599 0 1 FFAF COc1nccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587094315 PIOJXBBYCVAZHL-ZDUSSCGKSA-N 358.345 2.724 0 1 FFAF Cn1ccnc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656686 KMSXBJQYAQTQPR-UHFFFAOYSA-N 366.327 2.764 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(=O)O)N1 587808551 ZQKFZPXESJLCGW-INWYIAFRSA-N 354.179 2.633 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)O)cc3c1OCOC3)O2 587408035 KQJLGMUGBTVDCH-MRXNPFEDSA-N 355.346 2.848 0 1 FFAF COCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794759 PYXWHNMWCXVSDL-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C(=O)C(=O)OCC)CC2=O 587479434 IISCSZXRMLYIKB-VBKZILBWSA-N 360.406 2.981 0 1 FFAF CCCS(=O)(=O)N1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 586953574 UZMUZELLYBZODR-UHFFFAOYSA-N 360.842 2.670 0 1 FFAF COCCN(C)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772649314 FOCRCOQEBBTXJB-CYBMUJFWSA-N 368.441 2.923 0 1 FFAF O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1ccccn1)C1CC1 1772645538 NVWSTSLHPRNNAP-ZPHJMFTNSA-N 352.463 2.934 0 1 FFAF COc1ccc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1OC 4927368 DWDCIMOKRXVCFZ-OAHLLOKOSA-N 354.406 2.658 0 3 FFAF aggregator O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(C(F)(F)F)cc1 103256298 HRJSQPLHVZVNAF-MRXNPFEDSA-N 351.280 2.824 0 1 FFAF CC(=O)Oc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2CCc1ccccc1 28098585 GWRWXRBOGIEGRP-UHFFFAOYSA-N 364.357 2.604 0 1 FFAF COc1cccc([C@@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@@H](C)C2)c1 22609869 CHYVAKAFGGCNES-HUBLWGQQSA-N 374.466 2.704 0 1 FFAF CC(=CCCC1=CCC[C@@](C)([C@H](O)CCC(C)=CCO)OC1=O)CO 2356427990 SUTOKLTWMNXOJT-QUCCMNQESA-N 352.471 2.807 0 1 FFAF COc1ccc(C=CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2356734279 BPPZVFHFWMQWSG-SJORKVTESA-N 350.418 2.516 0 1 FFAF COCCN1C(=O)COCc2ccc(-c3cccc(NC(C)=O)c3)cc21 74374781 QYVHDVPRUIYWBK-UHFFFAOYSA-N 354.406 2.822 0 3 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@@H]1O 15215982 HUHGGORLMLOUCC-KRWDZBQOSA-N 354.358 2.946 0 1 FFAF biogenic COCCN(C)c1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1 71296712 MONQMZFWAUSONS-UHFFFAOYSA-N 358.320 2.732 0 1 FFAF CCCc1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O 82186828 UDKZSQQZPLZNTQ-UHFFFAOYSA-N 356.474 2.613 0 1 FFAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@](C(C)=O)(C1)[C@H]23 86052945 DAWIIFABKVMRDV-ACRUOGEOSA-N 352.434 2.624 0 1 FFAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1nccs1 95794209 GWUKVFGQFKLMLQ-MJGOQNOKSA-N 355.507 2.568 0 1 FFAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587195212 SAZHMPUQTWGJAG-UHFFFAOYSA-N 373.482 2.769 0 1 FFAF COC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354597 VGHVAAZIDLADTK-PXNSSMCTSA-N 372.348 2.781 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CO)on2)N1 587791064 FHQHSGMUWFBLEG-VXJOIVPMSA-N 355.207 2.866 0 1 FFAF O=C(O)c1cccc2c1CCN[C@@]21C[C@H](C(=O)O)Oc2ccc(Cl)cc21 963118256 BCWNAMWPYDGSSK-APWZRJJASA-N 373.792 2.663 0 1 FFAF O=C(O)Cn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737503 VSOMIEVSGIZJIJ-HNAYVOBHSA-N 367.430 2.707 0 1 FFAF CC(C)c1cccc(C(=O)O)c1CCCn1cnc2c1NC=NC[C@H]2O 13807504 WCWQUDJXNHTWQN-MRXNPFEDSA-N 356.426 2.825 0 1 FFAF COc1ccc2c(c1OC)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 14676856 HGOULPVLENVPRT-IXDGSTSKSA-N 368.385 2.910 0 1 FFAF biogenic NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857591874 ZVRCAENILXQOPR-UHFFFAOYSA-N 358.492 2.958 0 1 FFAF COc1cc(O)c(C(N)=O)c2oc(C(=O)N(C)Cc3ccccc3)c(C)c12 1857651858 DPWOERWYHDGWLC-UHFFFAOYSA-N 368.389 2.827 0 1 FFAF CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)cc1 1634695 FDCZYVFCYYVZEY-GOSISDBHSA-N 355.419 2.564 0 1 FFAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049308 OVKCQZKYKYWDLW-XCRHUMRWSA-N 357.479 2.906 0 1 FFAF O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2F)n1)c1ccccc1 101564348 DCDUAYARIZLXMG-AWEZNQCLSA-N 369.352 2.663 0 1 FFAF CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27561956 LBOJQBIKUHKFSE-YCRPNKLZSA-N 358.482 2.846 0 1 FFAF CC=Cc1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)co1 2356559010 TZXWWWSFTQHNBQ-UHFFFAOYSA-N 358.346 2.708 0 1 FFAF Cc1ccccc1-n1[nH]c(C)c2nc(-c3ccccc3OCC(N)=O)nc1-2 32511651 ZIXUTHMNQJAYIS-UHFFFAOYSA-N 361.405 2.848 0 1 FFAF CC(=O)Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1 71317187 FSGQSNMSKKPBHY-RUZDIDTESA-N 358.398 2.974 0 1 FFAF O=C1c2ccccc2C(=O)N1CC[C@@H]1CC(c2ccc(O)c(F)c2)=NO1 43011148 KGEKKGLPXDUQNQ-GFCCVEGCSA-N 354.337 2.711 0 1 FFAF CC1(C)COCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146351668 KMMFANKYXNCAKF-UHFFFAOYSA-N 367.396 2.534 0 1 FFAF Cn1cc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cn1 146893207 QEFQYQNTDUQPCY-UHFFFAOYSA-N 370.420 2.852 0 1 FFAF CC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 238765016 YIBWIRUWDREGPY-AENKIQNESA-N 368.514 2.772 0 1 FFAF Cc1ccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1 473131275 NVJNRVVLQQRXKT-UHFFFAOYSA-N 364.449 2.760 0 1 FFAF O=C(NCCCn1ccnc1)O[C@@H](Cn1ccnc1)c1ccc(F)cc1 299826801 IAYURHVUHOVFID-KRWDZBQOSA-N 357.389 2.777 0 1 FFAF Fc1ccc(-c2noc([C@H]3CCc4c(nnn4[C@@H]4CCOC4)C3)n2)cc1 653768983 XYTZQUCMUFIGKB-GXTWGEPZSA-N 355.373 2.701 0 1 FFAF COc1ccc(-c2nnc(-c3ccc4nc(COCCN)[nH]c4c3)o2)cc1 587246790 WLOHEMZFBZKNOS-UHFFFAOYSA-N 365.393 2.764 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1c(N)cc(OC)cc1OC)[C@@H](C2)C3=O 587434022 ZXHNLUWPUVYWMP-RNODOKPDSA-N 355.390 2.957 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1C(=O)O)CC2=O 587492884 ZCKVLJROSIGQPK-FQEVSTJZSA-N 370.357 2.988 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c[nH]ccc3=N)nc2c1 587250262 ZGWHLGBBDKJTSU-UHFFFAOYSA-N 361.199 2.977 0 1 FFAF C[C@@H]1C(=O)OC=C[C@@]12c1cccc3c1C[C@H](CNC(=O)OC(C)(C)C)N2C3 962630513 KAGSOCKOURORKR-VWLHBSKXSA-N 370.449 2.854 0 1 FFAF Nc1ncnc2c1nc(-c1cccs1)n2CCNCc1ccccc1 13743479 YNTQLKQBYLDZCZ-UHFFFAOYSA-N 350.451 2.927 0 1 FFAF O=C(O)c1ccc2ccccc2c1CCCn1cnc2c1NC=NC[C@@H]2O 13807509 NSZCHJJJAXDYNF-KRWDZBQOSA-N 364.405 2.855 0 1 FFAF Cn1cc(-c2cc3c(-c4cccc(NCC(C)(C)O)n4)n[nH]c3cn2)cn1 205262969 XWQXSGRZONTZPR-UHFFFAOYSA-N 363.425 2.603 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC 770468 LTQHZLOFQMWPTR-DKSSEZFCSA-N 372.421 2.657 0 1 FFAF CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@H]12 2356322166 AECRFOBLAOZFPX-XRULBBBTSA-N 368.514 2.967 0 1 FFAF CCOC(=O)CCc1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O 2500187 DPBMFJWUGBKLNR-UHFFFAOYSA-N 372.469 2.973 0 1 FFAF COc1ccc(CNC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 4869968 ZFKYZCNRVJGMAE-NUEKZKHPSA-N 361.438 2.690 0 1 FFAF CCCCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101770145 NOHMWZYUEOBMOP-HZPDHXFCSA-N 359.470 2.930 0 1 FFAF CC(C)O[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216441 JILOHDONTQMNBP-SMDDNHRTSA-N 354.838 2.993 0 1 FFAF COCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116193825 SFYPJOURINDDDQ-GOSISDBHSA-N 352.394 2.859 0 1 FFAF Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)C(=O)N2)cc1 26575606 LAYGXHFCFCWFSK-SFHVURJKSA-N 356.447 2.939 0 1 FFAF C[C@@]1(O)O[C@]23CC[C@H]1[C@@]2(C(=O)O)CC[C@H]1[C@H]3CC=C2C[C@@H](O)CC[C@@]21C 2356600984 GFOKWOWCJVGEQX-GPEMZFMGSA-N 362.466 2.852 0 1 FFAF CC(C)(C)CCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 35996401 KUTOSQWTZBPXJL-QMMMGPOBSA-N 364.286 2.539 0 1 FFAF O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1C2)OCO3 14726773 DBOCPTFHTGKHEP-GOSISDBHSA-N 350.326 2.685 0 1 FFAF biogenic Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccccc2)nc1 73280657 BFFGKPWVEMOHKA-UHFFFAOYSA-N 371.466 2.845 0 1 FFAF O=C([C@@H]1CCc2ccc(OCc3ccc(F)cc3F)c(=O)n21)N1CCCC1 40917746 UUZOHGFUOOMUKB-KRWDZBQOSA-N 374.387 2.815 0 1 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@@H](O)[C@@]32C)C(=O)O[C@H](c2ccoc2)C1 238782972 FVOLZPYKVQKWQB-PFRQMTDMSA-N 358.390 2.987 0 1 FFAF Cc1cccn2c(CC(=O)N3CCC(CCn4cccn4)CC3)cnc12 91417033 FBQRXOWFBSHVIY-UHFFFAOYSA-N 351.454 2.711 0 1 FFAF CN(CCCO)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144803781 ICEHAUMDOXNPFB-GOSISDBHSA-N 365.351 2.920 0 1 FFAF Cc1cc(OC(=O)CCC(=O)O)c2ccccc2c1OC(=O)CCC(=O)O 95618402 PNRCOYPXSMNURF-UHFFFAOYSA-N 374.345 2.689 0 1 FFAF endogenous,in-man CC[C@@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799809 YUNUBYZPVXOPIJ-ZYSBLVPFSA-N 355.251 2.864 0 1 FFAF O=S(=O)(O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586912623 FBNVVPSRQIPMKL-UHFFFAOYSA-N 374.418 2.612 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449828 HQMXKHFJCSISHS-CWTRNNRKSA-N 372.398 2.532 0 1 FFAF COC(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2c1OC 587238083 ARCLOIQQJBFJCF-UHFFFAOYSA-N 354.366 2.824 0 1 FFAF CC[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581476 LICLKWNGZNWJPK-QFBILLFUSA-N 351.362 2.794 0 1 FFAF CCOC(=O)[C@H](Cc1ccccc1C)c1ccc2c(O)nc(O)nc2n1 587559884 OCFDVZFTFPHIRU-CQSZACIVSA-N 353.378 2.634 0 1 FFAF CCOC(=O)C[C@]1(C[C@@H](O)c2ccccc2)NCCc2ccc(O)cc21 963341940 OVDJKAWWSAIDRI-CTNGQTDRSA-N 355.434 2.810 0 1 FFAF C[C@H]1c2nnc(-c3nc([C@@H](C)F)no3)n2CCN1C(=O)c1ccc(F)cc1 1772613064 UECKJWCZXJBAJH-ZJUUUORDSA-N 374.351 2.715 0 1 FFAF CC(=O)N1c2ccccc2Sc2ccc([C@@]3(O)CN(C)CCO3)cc21 169307104 GJJOJGCFEWDZKW-LJQANCHMSA-N 356.447 2.943 0 1 FFAF NC1=N[C@](CF)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)COC1 169335901 KEFNSMANAYXFOM-KRWDZBQOSA-N 362.792 2.540 0 1 FFAF CC1=Nc2nc(-c3ccccc3Cl)nn2[C@@H](c2ccccn2)[C@@H]1C(N)=O 169689365 MDUIRKOCSDEHKJ-CABCVRRESA-N 366.812 2.790 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@H]3N)cc3cnnc(O)c23)c1 1857555771 USOMMSHSFFBVGU-HZPDHXFCSA-N 364.453 2.886 0 1 FFAF Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 1645751 AXDQWOUUBIAQQJ-RDTXWAMCSA-N 362.861 2.872 0 1 FFAF COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC 3815004 XQDLKIMOHMTKTI-UHFFFAOYSA-N 357.439 2.807 0 1 FFAF COCCNC(=O)c1onc(CSc2cccc(Cl)c2)c1C(=O)O 8691398 QRSMHONHSPLXSS-UHFFFAOYSA-N 370.814 2.695 0 3 FFAF COCCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O 8829364 HUGZHOVFXFVEQP-UHFFFAOYSA-N 364.423 2.658 0 3 FFAF c1cc(-c2cnc3cnc(-c4cn[nH]c4)cn23)ccc1CN1CCOCC1 103215336 XHHUANCUYCLMBF-UHFFFAOYSA-N 360.421 2.619 0 1 FFAF COc1cc(CSc2nnc(NC(C)=O)s2)cc(OC)c1OC 28010716 ADOPNWBCLDGLOC-UHFFFAOYSA-N 355.441 2.815 0 1 FFAF COc1ccc2c(c1)[C@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 14917524 FTFWEINCEBLJFT-IRXDYDNUSA-N 355.390 2.676 0 1 FFAF biogenic O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1coc(-c2cccs2)n1 82085930 KLQOIMCUUZOKAB-AWEZNQCLSA-N 372.402 2.803 0 1 FFAF O=C(O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40424322 UFUKIJYVRWRXGP-UHFFFAOYSA-N 363.373 2.927 0 1 FFAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H]1CO 95877473 MIIHJTNNRHDOHS-DAXOMENPSA-N 365.271 2.559 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncccn3)C[C@H]2CS1 146169871 ZMAAQEPRGLNYHJ-IXBGWNDUSA-N 362.405 2.789 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]23CO[C@](O)(CO)[C@H]2CC[C@@H]13 299850110 MRRYTJCUHFJPKO-PEERVSPQSA-N 350.499 2.697 0 1 FFAF COCCN1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768244 MBZNQGVNEIYMKH-BDJLRTHQSA-N 357.267 2.670 0 1 FFAF N[C@@H](Cc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 587059823 YOLBEXOAJAXADW-VIFPVBQESA-N 352.623 2.963 0 1 FFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586950702 AOIXLRBXOMIBLY-UHFFFAOYSA-N 362.358 2.784 0 1 FFAF O=C(O)CCN(CCc1nc2ccc(CO)cc2[nH]1)Cc1ccccc1 587193705 OTQIVEVTZRKYIW-UHFFFAOYSA-N 353.422 2.575 0 1 FFAF CC(C)COc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586889805 LOUSQHDEYWOZMC-SECBINFHSA-N 371.231 2.738 0 1 FFAF COC(=O)CCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587273225 JFXVWCUAQKUXEP-UHFFFAOYSA-N 370.199 2.999 0 1 FFAF Oc1nncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182850 PJDBBLIAFDJQIO-UHFFFAOYSA-N 372.553 2.984 0 1 FFAF CCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)C1 587514486 ACWUMIZYHWPJTJ-UWJYYQICSA-N 357.450 2.784 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cnccn1)CC2=O 587490011 OAALJSPHPHRWCQ-FQEVSTJZSA-N 370.405 2.949 0 1 FFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(I)cnc2[nH]1 587961913 HETDWMRBXMNKEQ-YUMQZZPRSA-N 355.179 2.720 0 1 FFAF C[C@@H](Oc1cccc([C@@]2(C)c3ccsc3CCN2C(N)=O)c1)C(=O)O 962705479 NSOPVQZCMFECIC-ZMZPIMSZSA-N 360.435 2.800 0 1 FFAF COc1ccc(O)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1 2283761 RICQQHOHCJAIGC-MFOYZWKCSA-N 352.415 2.788 0 1 FFAF CCCNCc1cc(NC(=O)Nc2cccc3c2[C@H]2CCCN2C3=O)n[nH]1 13471124 WADJTGRQJNOIJS-OAHLLOKOSA-N 368.441 2.844 0 1 FFAF O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2cccnc2)CC1 165154824 JONDKMQDRFZSAB-UHFFFAOYSA-N 366.450 2.954 0 1 FFAF COc1ccc(CCCNC[C@@H](O)c2ccc(O)c3nc(O)ccc23)cc1 1857617617 RNHCTRZJUVCTDS-LJQANCHMSA-N 368.433 2.910 0 1 FFAF O[C@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356390953 NKMRIFKDNNKEFL-VLIAUNLRSA-N 354.358 2.735 0 1 FFAF COc1ccc(C)n2nc(CCc3nc(-c4cncs4)cn3C)nc12 117850482 LMLWQVAQDQHNGB-UHFFFAOYSA-N 354.439 2.689 0 1 FFAF CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356498287 PQNOCJMPOHKMIT-VEQBEETBSA-N 364.526 2.927 0 1 FFAF COC1=C[C@H]2C=C(Oc3ccc4ccc(=O)oc4c3)C(=O)O[C@H]2C=C1O 2356649665 UJRSXAFBORHKBS-NHYWBVRUSA-N 354.314 2.583 0 1 FFAF Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1 66066648 RLIOGLONFBOCIA-UHFFFAOYSA-N 365.315 2.816 0 1 FFAF CCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1 45349259 PZIMWNVGBTWRON-UHFFFAOYSA-N 363.421 2.758 0 1 FFAF Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cn2)cn1 224720297 UQZRWNOWVLVDEQ-UHFFFAOYSA-N 357.377 2.952 0 1 FFAF CN(CCO)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 40874260 YNCNPACQCPGDEK-UHFFFAOYSA-N 355.825 2.825 0 1 FFAF CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@H]32)cc1 25237131 IBWAXUTWMYRZKV-CLAROIROSA-N 368.477 2.594 0 1 FFAF biogenic C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccccc3)c(=O)n21 82210797 LUAOHKYBWVZBEO-CYBMUJFWSA-N 368.462 2.718 0 1 FFAF CC(C)n1c(-c2nonc2N)nc2cccc(OCCN3CCCC3)c21 230563930 ZZUMCOOASRWOQO-UHFFFAOYSA-N 356.430 2.724 0 1 FFAF COc1cc2c(c(OC)c1OC)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 96905616 SOHYOYAZJUPKIH-LBPRGKRZSA-N 372.373 2.875 0 1 FFAF biogenic NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587260665 YPZXZPAGPOTIGE-JTQLQIEISA-N 350.756 2.836 0 1 FFAF COC(=O)c1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2ccccc12 587436908 VBMIRYCZADQJIV-KZULUSFZSA-N 364.357 2.618 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)cc1OC)[C@@H](C2)C3=O 587439672 CCERSIUQBLOWGR-VBKZILBWSA-N 370.357 2.656 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ncccn1)CC2=O 587470033 KUZNQBXFBCDSTR-LJQANCHMSA-N 355.394 2.887 0 1 FFAF CN(C)c1ncccc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587196532 ZPKAIRCOGGWRKJ-UHFFFAOYSA-N 370.356 2.984 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 587092516 VESJPIXSDPBJEK-UHFFFAOYSA-N 352.272 2.748 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586951050 RRRFZBGRNIIHFN-UHFFFAOYSA-N 367.333 2.923 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587043280 YOPNTKVLLPGETG-UONOGXRCSA-N 354.435 2.691 0 1 FFAF CCOc1cc([C@H]2NCCc3ccc(O)cc32)ccc1OCCN(C)C 963327978 BUIKYBMHSFLDOZ-OAQYLSRUSA-N 356.466 2.966 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969384 DZUNGCYVRTZGKF-IUQCOFKPSA-N 356.800 2.669 0 1 FFAF CC(=O)NCc1ccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963019749 FJOFDYRNTLQKHG-RNODOKPDSA-N 369.490 2.701 0 1 FFAF O=S1(=O)CC[C@H](NCCOc2cc(F)ccc2F)c2ccccc21 205699269 RQUJRGDECNEQHO-HNNXBMFYSA-N 353.390 2.852 0 1 FFAF COCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)OC)[C@@H]1C 169334625 RSVJFSYTDHCFMC-ZLKJLUDKSA-N 374.359 2.596 0 1 FFAF CCOCCC(=O)Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167513109 XUIMAVFGAFNNFN-UHFFFAOYSA-N 354.410 2.994 0 1 FFAF COC(=O)c1cc(=O)c2cc(NC(=O)NCCc3cccs3)ccc2[nH]1 1857646358 CMUCSDHHCWKMRM-UHFFFAOYSA-N 371.418 2.740 0 1 FFAF Clc1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1 4885516 NUJARRZGFWWJTK-UHFFFAOYSA-N 365.828 2.653 0 1 FFAF COc1cc2c(cc1OCCCN1CC(F)(F)C1)N=C(N)C21CCC1 103244994 JJZACNKUHTWTPN-UHFFFAOYSA-N 351.397 2.839 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356349604 JVAJKTKTXSNNJB-CABCVRRESA-N 370.453 2.630 0 1 FFAF CN(Cc1ccccn1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28133794 VMMWNYXZXOBARR-UHFFFAOYSA-N 356.813 2.605 0 1 FFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccs1 61906269 JUHKLMILKBKLHS-SFHVURJKSA-N 358.419 2.649 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@]14COC(=O)C1=CC[C@H](O3)[C@H]42 2356530201 HQXPEPNOBAUHLR-OEVJXTTPSA-N 356.374 2.695 0 1 FFAF COc1ccc([C@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@@H]32)OCO4)cc1OC 26851855 REJMVOGSTMMWHW-VMDGZTHMSA-N 369.373 2.532 0 1 FFAF NC(=O)c1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 117618921 KDARCXVCYJVKRM-BEFAXECRSA-N 374.444 2.996 0 1 FFAF Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)n(C)n1 66114169 HPSVJRBUHQCFRE-OAHLLOKOSA-N 353.401 2.861 0 1 FFAF COc1ccc2c(c1CC=C(C)C)O[C@@]1(O)c3ccc(O)cc3OC[C@@]21O 85491556 FBYJHWOGIRRKPJ-RTWAWAEBSA-N 370.401 2.727 0 1 FFAF biogenic,in-vitro CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccccc3C)ncnc21 82180531 QVBXLZYZZKKLEM-UHFFFAOYSA-N 364.453 2.760 0 1 FFAF CC[C@@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 231931463 JQFGUBLRJFEKMI-UQYWYBKESA-N 350.455 2.905 0 1 FFAF Nc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1 95596957 ZALJAJYXGAILHE-UHFFFAOYSA-N 374.448 2.652 0 1 FFAF NC(=O)COc1ccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)cc1 299870596 WNIDDNZWJASUGU-UHFFFAOYSA-N 369.356 2.673 0 1 FFAF COC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587832487 CAPNIFDNVFHKPY-QEKSWQHZSA-N 372.234 2.527 0 1 FFAF COc1cc2c3c(c1)O[C@@](CC[C@@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587431332 FPVCRVDVJQGUCY-MRUHUIDDSA-N 367.401 2.530 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240798 WZTYQFOMDADDGA-SZEPBZDZSA-N 373.457 2.908 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 586939730 SDOHXLHJQOEICD-NSHDSACASA-N 371.466 2.591 0 1 FFAF N=c1nc(O)c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2[nH]1 587158106 FLPFIXNVFYESGG-UHFFFAOYSA-N 361.340 2.616 0 1 FFAF CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387600 QJZZYZWRVJNIPM-UMDONVSZSA-N 360.454 2.946 0 1 FFAF C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 587388582 DZTWUMQOKXUTSQ-PJAIAEFWSA-N 370.449 2.837 0 1 FFAF O=C(N[C@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202149 GBQHLSTWYZSJKF-OAHLLOKOSA-N 357.341 2.624 0 1 FFAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccccc21 963238492 ZGUXHVPVHXLVEN-PKOBYXMFSA-N 358.401 2.810 0 1 FFAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962929273 IHVYYNNESPCGQB-PCMMCCAGSA-N 358.482 2.886 0 1 FFAF Cc1cc(-c2ccc([C@@]3(C)CCCNC3=O)c(O)n2)cc2c1cnn2C 1772582168 RYTOYXNXPYDKGG-HXUWFJFHSA-N 350.422 2.817 0 1 FFAF C[C@@H](C[P@](=O)(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 14976075 WUBYQBSYTLBAMD-GXTWGEPZSA-N 355.327 2.736 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 169714761 OWIREDZRBAQIRS-RDJZCZTQSA-N 359.378 2.600 0 1 FFAF NC(=O)c1cc[n+](CCCN2C=C(Cl)C(=CN=O)C(Cl)=C2)cc1 1857538389 MSEQEZLALUOVQP-UHFFFAOYSA-O 354.217 2.589 0 1 FFAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCOCC3)ccc12 1857635719 YRWZJOLXVGVYHK-UHFFFAOYSA-N 365.476 2.831 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1C[N@]1Cc1cnc2ccccc2c1 1857742844 KVFXBBSEFMIRDB-DMZKTXOQSA-N 361.232 2.983 0 1 FFAF CC[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1 2602312 IUJXMGLNDNPNES-MRVPVSSYSA-N 354.291 2.589 0 3 FFAF OCc1cc2cc3c(cc2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 26180527 OAZSHCTYEJXYKZ-UHFFFAOYSA-N 352.342 2.949 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-n2ccnc2)n1 223645536 GJZKIUBNPLFKCX-INIZCTEOSA-N 350.378 2.522 0 1 FFAF OCCc1c([C@@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccccc12 2356467827 GTKKLIYNQCXJMH-PMACEKPBSA-N 350.418 2.669 0 1 FFAF CN(CCc1ccc2c(c1)OCO2)C(=O)C=Cc1ccc2c(c1)OCO2 2356544104 COXRPBBNPBCNDM-UHFFFAOYSA-N 353.374 2.858 0 1 FFAF COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 20330784 MFWYYWOINJHALU-UHFFFAOYSA-N 361.398 2.825 0 1 FFAF O=C(NC[C@@H]1CCCO1)c1cc(Br)cnc1N1CCCCC1 39229719 HCKHZMKANATPJA-ZDUSSCGKSA-N 368.275 2.743 0 1 FFAF Cc1cc(C(=O)NCCO)ccc1-n1c2ccc(F)cc2c2[nH]ncc21 210505797 OTERKSQZXOAQLU-UHFFFAOYSA-N 352.369 2.676 0 1 FFAF COCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82141012 YXXVEENLNBNUFQ-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF Cc1cc(Cl)c(C)n2nc([C@H]3C[C@@H]3c3nc(N4CCCC4)nn3C)nc12 221291512 ZMLADKYBNHYLNA-STQMWFEESA-N 371.876 2.999 0 1 FFAF CCN1CCN(c2ncc(C)c(NCc3ccc(OC)c(OC)c3)n2)CC1 82202866 BRPHAZFRRMUAEY-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF CCNc1nc(NCCCN2CCCC2=O)nc2cc(OC)c(OC)cc12 82131460 ZWSLLYPNIBPDJE-UHFFFAOYSA-N 373.457 2.503 0 1 FFAF CC(C)[C@@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 95593089 NCBDOQFSGNRAHL-CQSZACIVSA-N 355.446 2.975 0 1 FFAF COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO 95877910 MNEPSXDACLWTKA-PIPMEXSNSA-N 366.461 2.700 0 1 FFAF C=CS(=O)(=O)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 618020287 ZBWVWOVEMKNERG-UHFFFAOYSA-N 366.430 2.889 0 1 FFAF COc1ccc(C[C@@H]2NCCc3cc4c(cc32)OCO4)c(C(=O)O)c1OC 58487454 KMFUNEOFNWQPNI-AWEZNQCLSA-N 371.389 2.560 0 1 FFAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(O)O)N1 587850131 XILPCYHTQYHBAB-AYVTZFPOSA-N 372.259 2.738 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2N)N1 587747389 QBIQGNNSHFNMDQ-GLEZIHRCSA-N 351.223 2.758 0 1 FFAF COc1cc2c3c(c1)OC(CCCC(=O)O)(CCCC(=O)O)[C@@H](C2)C3=O 587447646 UUTTYDRVIDOLIX-ZDUSSCGKSA-N 362.378 2.691 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@H](Cc3ccccc3)C1)O2 587398116 BXQAXZLLQVBKDB-QVKFZJNVSA-N 350.418 2.803 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)([C@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O 587453750 GURDXVXJZKDXER-LUQKVYGDSA-N 350.370 2.983 0 1 FFAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cnc1N(C)C 963222267 GHSRNWDPOGYZQB-RBUKOAKNSA-N 362.433 2.693 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1ccc(Cc3ccc[nH]3)[nH]1)N[C@H](C(=O)O)C2 963466638 DIEXNTZTMRACKD-LPHOPBHVSA-N 351.406 2.636 0 1 FFAF C[C@@H]1CCCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 223898397 KRLKGZZAWZIALG-CVEARBPZSA-N 372.490 2.970 0 1 FFAF CCCn1c(=O)c2[nH]c(C3Cc4ccccc4C3)nc2n(CCC)c1=O 12405519 HTZOCGVMYAKXOF-UHFFFAOYSA-N 352.438 2.589 0 1 FFAF CN1CC[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC1=N 1857762258 ZJRDVBAHIALOSS-GOSISDBHSA-N 359.380 2.687 0 1 FFAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(O)c(OC)c2)N1 3136030 BGCTZYDFAWJFDE-YJBOKZPZSA-N 352.390 2.659 0 1 FFAF CC1CCN(CCC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1 3903664 SXMYOKFZRAJOQD-UHFFFAOYSA-N 370.449 2.900 0 3 FFAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 3955867 ZONKBPPCLMHWHG-NRFANRHFSA-N 366.465 2.614 0 1 FFAF COCCCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1 4161446 QCEIQXLDJPZGPZ-UHFFFAOYSA-N 364.471 2.726 0 3 FFAF CCOC(=O)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)C(C)C 27556646 BPEQADKRCAEKGB-AWEZNQCLSA-N 350.802 2.708 0 1 FFAF CCN1C(=O)COc2cc(CN3CCN(c4ccccc4F)CC3)ccc21 103249233 FJEQPZJBWQNRTE-UHFFFAOYSA-N 369.440 2.893 0 1 FFAF CN1C[C@@H]2C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@@H]1C2 101263413 XXWOCVWJOICKHA-VDGAXYAQSA-N 351.446 2.948 0 1 FFAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccn2)Oc2ccccc2N1CC1CC1 2356301810 FZDYPJNBNXAXNP-MAUKXSAKSA-N 363.417 2.500 0 1 FFAF Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@H](c1ccccc1)C3 28871422 OAGUCUHDIIWNIE-KRWDZBQOSA-N 363.461 2.946 0 1 FFAF COc1cc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1OC 58047710 TZFYONWORNHKAK-ACJLOTCBSA-N 373.409 2.519 0 3 FFAF NC[C@H](COCc1cccc2ccccc12)OC(=O)NCCCCCCO 29058854 SPEMSALVJCUCIN-LJQANCHMSA-N 374.481 2.963 0 1 FFAF COc1cc(CN2C[C@H](C)O[C@H](C)C2)cc2[nH]c(=O)c3c(c12)NCCC3 118734022 IDPFIWDWDZPGKK-BETUJISGSA-N 357.454 2.504 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C@@H]3c4c(c5ccccc5n4C)CCN3C[C@H]2CC[C@H]1O 504581641 WJFAYJMSIIWXBX-MKCULMFZSA-N 368.477 2.658 0 1 FFAF biogenic CCCc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 72107758 CXOBKOZVWXFMRB-UHFFFAOYSA-N 360.435 2.936 0 1 FFAF CN1C(C(=O)Nc2cccc(Cl)c2)=C(O)c2sccc2S1(=O)=O 40719249 MNERQOIUIPSDOO-UHFFFAOYSA-N 370.839 2.901 0 1 FFAF C[C@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@H](C)O1 84652880 BPOGPSWQWXFRCB-GJZGRUSLSA-N 365.547 2.606 0 1 FFAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 82142987 FGSKQMJQMIVOGW-KBPBESRZSA-N 358.442 2.595 0 1 FFAF C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CCC[C@H]3C)cc2O1 96019157 JUARTUCENLEXHH-ZIAGYGMSSA-N 350.484 2.999 0 3 FFAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1 653716014 PCEYMHUIWPGXAS-UHFFFAOYSA-N 371.447 2.535 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1ccc(N(C)C)cc1)(C(O)O)CC2=O 587467536 DYKYYLRBTYHWOJ-OAQYLSRUSA-N 371.433 2.582 0 1 FFAF NS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530844 HUSFGZSZDUKOPX-GOSISDBHSA-N 357.431 2.919 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587082380 PPXJTZBOGVMYNU-UHFFFAOYSA-N 374.813 2.901 0 1 FFAF Cc1cc(-c2nc3c[nH]c(=N)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123671 FWQLDDQLHQULBQ-UHFFFAOYSA-N 371.344 2.607 0 1 FFAF CC(C)[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OC(C)(C)C 587198256 VUKZQEZYTJMFMC-SECBINFHSA-N 354.842 2.934 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)o1)[C@@H](C2)C3=O 587444444 PVIFGVBFZOGDAC-XOBRGWDASA-N 354.406 2.529 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN2[C@@H]3C[C@H](O)C[C@H]2C[C@@H]1C3 587481574 GURCSVRSFJMPLK-AHGCPEOQSA-N 357.450 2.666 0 1 FFAF O=S(=O)(NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)c(F)c1F 587134946 XNZKYNATJASWKA-UHFFFAOYSA-N 359.304 2.598 0 1 FFAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cc2c(cn1)OCO2 961324650 MWHPTVLNVLUYOA-FQEVSTJZSA-N 356.422 2.803 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@]31CCCc2c1ccc(=O)n2C 963047414 PTCRYBKOTVGSBG-QFIPXVFZSA-N 361.445 2.668 0 1 FFAF O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCCC1 143194096 OTRIMYIMUTYJSV-UHFFFAOYSA-N 371.489 2.766 0 1 FFAF O=C(O)c1cccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)c1 13600507 JUPPWBBNOVWYGS-UHFFFAOYSA-N 360.373 2.658 0 1 FFAF COc1ccc2c(C(=O)N(C)CC(N)=O)ccc(F)c2c1C(F)(F)F 13823611 NDYORYPPLAOTTH-UHFFFAOYSA-N 358.291 2.564 0 1 FFAF CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12 14762976 YPJVZUCLYTYXEP-UHFFFAOYSA-N 372.373 2.986 0 1 FFAF biogenic O=c1nc(C(F)(F)F)ccn1C[C@@H]1CN1Cc1cnc2ccccc2c1 169328802 OCIXRDJANHBWSZ-SUUGVPPDSA-N 360.339 2.695 0 1 FFAF CCOC(=O)[C@@H]1CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2S1 163190438 SVVQSGWDHBABGN-INIZCTEOSA-N 366.442 2.807 0 1 FFAF CCOC(=O)C1=NN[C@H](C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 1186929 GKOGUFUDKOZXQH-SJORKVTESA-N 352.390 2.553 0 3 FFAF CC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 3534210 PBBSCMZPVJUWKD-UHFFFAOYSA-N 361.375 2.621 0 3 FFAF O=C(Nc1ccccc1)N1CC2(CCN(C(=O)c3ccncc3)CC2)C1 3955836 ASDWLZQFWSTVTK-UHFFFAOYSA-N 350.422 2.852 0 1 FFAF CCOC(=O)[C@H](C)NC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 6739392 HNXYTAOPLZCYMU-JTQLQIEISA-N 358.419 2.733 0 1 FFAF Nc1ccc2cccc(OCCCNC(=O)c3ccc4c(c3)OCO4)c2n1 28383064 XDFQVWQIAHZMME-UHFFFAOYSA-N 365.389 2.745 0 1 FFAF COc1ccc2nc(-c3c(NCCc4cnc[nH]4)n[nH]c3N)sc2c1 114400669 IZFBHPLFFRVTAH-UHFFFAOYSA-N 355.427 2.655 0 1 FFAF Nc1nc(N2CCC[C@H](N)C2)c2oc3cccc(C(F)(F)F)c3c2n1 73165788 BNAXSGLGACVHDB-QMMMGPOBSA-N 351.332 2.905 0 1 FFAF CN(Cc1cn(C[C@H](O)COCc2ccccc2)nn1)CC1CCCCC1 73197784 BWBXKCGRESYXNB-NRFANRHFSA-N 372.513 2.868 0 1 FFAF C[C@@H](CF)N1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 36289013 APJOLOBANNPDKL-LPHOPBHVSA-N 357.425 2.898 0 1 FFAF O=C(Nc1nc(S(=O)(=O)Cc2ccccc2)ns1)c1ccccc1 32958461 BMHKCNIMFQDLSG-UHFFFAOYSA-N 359.432 2.764 0 1 FFAF COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@@H]2O 137019099 KZQQQASYBXZUMD-MYAJONKESA-N 372.461 2.989 0 1 FFAF N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nsc3ccccc23)C1 45317895 UNZSVXYCAMZDGK-RDJZCZTQSA-N 366.490 2.879 0 1 FFAF c1nc(NC2CCCCCC2)c2cc(OCCN3CCOCC3)ncc2n1 40893335 OGIVDFLCEHDQBN-UHFFFAOYSA-N 371.485 2.871 0 1 FFAF in-vitro O=C(O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 95563172 OIKDQJUEGVQYNT-UHFFFAOYSA-N 364.829 2.794 0 1 FFAF COc1cc2c3c(c1)O[C@@H](C1(F)CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587424607 PZZBWTVSBZEASD-BLLLJJGKSA-N 363.385 2.770 0 1 FFAF CCOC(=O)C[C@@]1(c2nccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451110 IBXSIWGPBSUPAW-KZULUSFZSA-N 359.403 2.748 0 1 FFAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587113354 QESRLCPLDGEYMV-ZDUSSCGKSA-N 373.342 2.800 0 1 FFAF CC(=O)N(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O 587744396 ZNNKALZBCOPMCP-FVMDXXJSSA-N 371.250 2.733 0 1 FFAF Cc1nc2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2cc1Br 587250704 XKVNFLGCEGOVIT-UHFFFAOYSA-N 361.199 2.905 0 1 FFAF C[C@@]1(c2ccncc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707122 OKYOFRDLBNQHFD-BBRMVZONSA-N 370.302 2.808 0 1 FFAF CC(C)NC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 13901554 OWKPMYUDNCQDQO-INIZCTEOSA-N 366.259 2.689 0 1 FFAF COc1cc([C@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5)ccc1O 14696265 GEJUXZYANAYHRZ-RBUKOAKNSA-N 350.374 2.772 0 1 FFAF endogenous,in-man CN(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164750825 MERVLNIWAAFVBB-UHFFFAOYSA-N 361.409 2.515 0 1 FFAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C)[C@]15CC2)[C@@H]43 1857635060 RRVQWUQWPISZCH-WVCANSMHSA-N 352.478 2.954 0 1 FFAF CCO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@H]2C5 100707058 KJCLGDBUSZFKIR-AGOPTVSRSA-N 369.461 2.570 0 1 FFAF C/N=c1\c(NS(=O)(=O)c2ccc(F)c(C)c2)c(O)oc2ccccc12 103532106 OKOBKIQHNCZWMJ-CYVLTUHYSA-N 362.382 2.917 0 1 FFAF Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@H](C)C[C@@H](C)C4)[nH]cc-3c2c1 100609993 UPNJBOFRBVYGBL-ZIAGYGMSSA-N 352.438 2.642 0 3 FFAF COC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 26157481 MCFIRFCWQQLTDR-LSDHHAIUSA-N 363.410 2.883 0 1 FFAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2Br)C1 61926427 ORFIDHXZVNHMOI-MRXNPFEDSA-N 353.260 2.828 0 3 FFAF COc1cc(OC)c2c(c1)O[C@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O 2356570429 IDMPXVKBMCVCBV-PMACEKPBSA-N 372.373 2.936 0 1 FFAF COc1c(OCC=C(C)C[C@H]2C[C@@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 2356721159 WIKPBGTZLCOVAL-VBKZILBWSA-N 374.389 2.583 0 1 FFAF COc1cc2c(c(O)c1OC)C[C@@H]1NCCc3c(OC)c4c(c-2c31)OCO4 2356756745 IJXFJMGHVGWHIC-LBPRGKRZSA-N 371.389 2.557 0 1 FFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356811223 HPGWZMYAAOMWIK-ZCNNSNEGSA-N 372.533 2.530 0 1 FFAF COC(=O)c1cc(CO)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 40877641 YWKRZVQETGZJKO-UHFFFAOYSA-N 367.323 2.914 0 1 FFAF O=C1NC(NCc2cccc(Cl)c2)=N/C1=C\c1c[nH]c2ncccc12 40975498 XTNISSMHTWJCNR-NVNXTCNLSA-N 351.797 2.833 0 1 FFAF CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1 96913509 ROCHYJQHRDSAMT-UHFFFAOYSA-N 362.480 2.941 0 1 FFAF Cc1cccc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c12 653735488 RROFQCPRKWVHAS-UHFFFAOYSA-N 355.825 2.717 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H]3CN[C@H]1C(=O)O 587106126 IKGZRJIZIJVZKL-PJSUUKDQSA-N 356.381 2.759 0 1 FFAF COc1cc2c(cc1OC)[C@@H](c1cnc(SC)nc1N)N(C)[C@H](C)C2 962625327 MZLFHCXSPLRKSC-HWPZZCPQSA-N 360.483 2.764 0 1 FFAF CN1CC[C@]2(c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@H](CCO)C1 962717678 QONXBZVNYJKODX-JXXFODFXSA-N 364.530 2.719 0 1 FFAF COC(=O)c1cccc(-n2cccc2[C@@H]2c3nn(C)cc3CCN2C)c1 963955626 QUCUCTOVWDMQJH-LJQANCHMSA-N 350.422 2.575 0 1 FFAF COc1cccc(CCN2CCN(C(=O)Cc3cccc(OC)c3)CC2)c1 13782173 VHOMLJKPHNUUHN-UHFFFAOYSA-N 368.477 2.633 0 1 FFAF COC(=O)c1cc(NC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1 169304601 BOZWSLSLVQFFIA-UHFFFAOYSA-N 374.485 2.718 0 1 FFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(C)n1)c1ccccc1 209402677 LRVYUZPOYXQXOD-CQSZACIVSA-N 355.398 2.784 0 1 FFAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NC[C@H](O)CO 776342 CQFKCRAJNSRYBE-JTQLQIEISA-N 370.808 2.515 0 1 FFAF CCOc1ccc(OCC)c(N(C)C[C@H]2CCc3nc(N)nc(N)c3C2)c1 3814889 MFXYIYYEAGBYLS-ZDUSSCGKSA-N 371.485 2.680 0 1 FFAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 8661212 WZJDWCJBFDFSLU-IRXDYDNUSA-N 356.447 2.517 0 1 FFAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2CCO 103226373 BYLOTUBHVKSTKM-UHFFFAOYSA-N 354.362 2.601 0 1 FFAF C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 28001169 UJVJESYKEHAJNS-UEVHTWQBSA-N 362.466 2.883 0 1 FFAF O=C([C@@H]1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637715 FPHYGGIQNUNSGL-LOUJCGABSA-N 370.478 2.500 0 1 FFAF Cc1c(OC[C@@H](C)O)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12 29046175 ACPWZRGLIIWDAZ-SECBINFHSA-N 357.345 2.605 0 1 FFAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)CCN2C1CNC1 72116760 PTZDRLXZJMSQRF-UHFFFAOYSA-N 373.456 2.751 0 1 FFAF COc1c(C)c2c(c(O)c1C=O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 13481904 IGNSUVGZBUZHKW-LBPRGKRZSA-N 370.357 2.684 0 1 FFAF biogenic Oc1c([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 14641285 DWROQTQLRCCFNU-WXPXUSHHSA-N 370.357 2.925 0 1 FFAF biogenic Nc1scc2c(C(=O)O)nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12 84711255 YDIBDYOUTDFOHK-UHFFFAOYSA-N 371.296 2.626 0 1 FFAF CC(C)(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 45368454 YTRBUKMOQZXXJR-CVEARBPZSA-N 365.905 2.711 0 1 FFAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434749 FZKBPAWEPLRVKP-OLZOCXBDSA-N 360.504 2.886 0 1 FFAF biogenic NC1CCN(c2nc(N=c3cc(C4CCC4)[nH][nH]3)c3sccc3n2)CC1 473172823 YSTUGLLFYZBJAF-UHFFFAOYSA-N 369.498 2.775 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587776174 VNRGWILFJKEGKC-XLLMKQGQSA-N 369.278 2.545 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807200 LLIMESDAVMTPQV-JIYNIHLBSA-N 372.234 2.716 0 1 FFAF COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2C[C@H]1C(=O)O 587212902 SCGCFERTXMRLDD-VBHSOAQHSA-N 366.417 2.590 0 1 FFAF CCOC(=O)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352348 WZQITBWWPXEYHC-OXJNMPFZSA-N 372.348 2.781 0 1 FFAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1OC 587599522 GJHQSDCKYBMYFC-YKCBXCCJSA-N 356.374 2.916 0 1 FFAF COc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 586940587 ANSJWDPAZLUHAN-MDZDMXLPSA-N 357.435 2.970 0 1 FFAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccccc21 963238487 ZGUXHVPVHXLVEN-HKUYNNGSSA-N 358.401 2.810 0 1 FFAF CCOC(=O)c1cccc(-c2cnc3ccc(N[C@@H](CC)CO)nn23)c1 1772631552 DSCUTYQYWCTFQL-HNNXBMFYSA-N 354.410 2.756 0 1 FFAF C[C@@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1cnn2C 1772579813 MFIATRNSKLUERD-VIFPVBQESA-N 366.347 2.918 0 1 FFAF COc1ccc(CCN2CCC(CN(C)C(=O)[C@@H]3CCCO3)CC2)cc1 12613311 SKGKMCLGZAJYEB-FQEVSTJZSA-N 360.498 2.587 0 1 FFAF CC(C)(O)CCc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2=O 14762893 BYQKGWSQMLLYGJ-OAHLLOKOSA-N 358.390 2.866 0 1 FFAF endogenous,in-man C[C@H](O)[C@@H](CCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)ncnc21 1857645280 TXDYODRUCXOCLZ-GXFFZTMASA-N 365.359 2.982 0 1 FFAF Cc1c(C(=O)NC(C)C)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459976 HRPYEHUDVYQZCJ-UHFFFAOYSA-N 350.440 2.664 0 1 FFAF COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)cc1 4238964 MHWNSOYGUUHCHT-UHFFFAOYSA-N 366.402 2.921 0 1 FFAF COC(=O)CCc1ccc2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)cc1)O2 6006629 BJFBGTPRPAKYGH-RBUKOAKNSA-N 356.374 2.888 0 1 FFAF NC(=O)c1cc([C@@H](O)[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 6093931 SFSYYHIAWBPIFK-IUODEOHRSA-N 353.344 2.528 0 1 FFAF O=C(C[C@@H]1C(=O)OC[C@H]2CCCCN21)Nc1ccccc1C(F)(F)F 59866948 NWFBQPPWHUJOKI-BXUZGUMPSA-N 356.344 2.814 0 3 FFAF CC(C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 104005078 YXBCXXZPPSTQHS-CMPLNLGQSA-N 358.389 2.751 0 3 FFAF Cc1cc(-n2cccn2)ccc1CN1CCN(CC(C)C)[C@@H](CCO)C1 22932978 NFZRURYVUIYHEA-NRFANRHFSA-N 356.514 2.705 0 3 FFAF CCN1C(=O)c2c(ncn2Cc2ccc(OC)cc2)N2C1=N[C@@H]1CCC[C@@H]12 28756280 LERQZNAEHLUEQY-CVEARBPZSA-N 365.437 2.513 0 1 FFAF COC(=O)[C@@H]1CC[C@]2(C)[C@@H]([C@H]3C=C[C@@]2(O)C(=O)O3)[C@@]1(C)C=Cc1ccoc1 2356454023 WGJYPUWQDZUODK-CLNCKLIYSA-N 372.417 2.731 0 1 FFAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cc(C)ccn3)CN1CC2 34461891 XAYJELCFFHREMD-SCTDSRPQSA-N 353.466 2.821 0 1 FFAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccco2)cc1OC 95589863 XSDNRLVBMKNCDF-QGZVFWFLSA-N 372.377 2.668 0 1 FFAF O=C(c1cnc[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658815 UYTIBGQWIBHZAC-UHFFFAOYSA-N 352.300 2.753 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743342 DGFHIXWUMFOCCW-VPTHRUTESA-N 365.250 2.897 0 1 FFAF N=c1[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2c(Cl)[nH]1 587002355 DIZAHYTUIYHITP-UHFFFAOYSA-N 364.594 2.676 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587255129 YWPXWUGYUNQSPW-UHFFFAOYSA-N 365.418 2.503 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)CS[C@@H]1C(=O)OC 587493744 GMCLCNHNGOFCQJ-QOJFYFMMSA-N 350.436 2.973 0 1 FFAF COC(=O)c1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cn1 587926373 XZAMUXTYQBTGHL-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF COC(=O)C1CN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)C1 587397336 ZVMDHNVMJYYWSP-IBGZPJMESA-N 366.417 2.893 0 1 FFAF O=C(O)c1cccc(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 1857590556 CLDIGTNXYRCRFZ-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF COC(=O)[C@@H]1CCC(=O)N1[C@H](c1ccccc1)c1ccc(OC)c(OC)c1 1645072 NCBACGVNPSVGJA-OXJNMPFZSA-N 369.417 2.957 0 1 FFAF O=c1c2cn(CCN3CCOCC3)c3ccccc3c-2nn1-c1ccccc1 28962244 RGMAKXWTNHXQNS-UHFFFAOYSA-N 374.444 2.624 0 1 FFAF CN1CC[C@@H](n2cc(S(=O)(=O)c3ccc(F)cc3)c3cccnc32)C1 28862215 LQWCCRCRJPTNGW-CQSZACIVSA-N 359.426 2.885 0 1 FFAF O=S1(=O)N=C(N(CCCn2ccnc2)c2ccccc2)c2ccccc21 64549673 GWXLYYJTGOXSFJ-UHFFFAOYSA-N 366.446 2.929 0 1 FFAF COc1ccc2c(c1OC)[C@@H]1[C@H]3Cc4ccccc4CN3C(=O)[C@H](C2)N1C 28880373 YQPOWFLYZSZMTE-UWVAXJGDSA-N 364.445 2.569 0 1 FFAF COc1cccc2nc(C[C@@H]3CN(CC4CC4)CC[C@H]3CC(=O)O)[nH]c12 2356686565 KJMQQSALAFGBDP-LSDHHAIUSA-N 357.454 2.937 0 1 FFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3cccc(CN4CCNCC4)c3)ccc12 38825774 XKYDSGQTSKYYNE-UHFFFAOYSA-N 373.460 2.556 0 1 FFAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc(OC)c1OC 14437203 ZMFBCRNURMVYEI-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@@H](C2)N(C)C[C@H]3O 14921215 JOCWWTNEHQHRAA-UKRRQHHQSA-N 357.406 2.661 0 1 FFAF biogenic CC/C=C\CCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094943 PKPXVGIKUXUYEF-SEDCNLEPSA-O 358.499 2.747 0 1 FFAF in-vitro COc1cc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)cc(OC)c1OC 96915498 GAWMBTGEVMHDHE-UHFFFAOYSA-N 355.346 2.950 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@H]([C@H]1C(=O)OC)N2C 587489190 STYRFOYVBRMUKU-TXBZAKSHSA-N 373.449 2.704 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c(-c3csc(O)n3)nc2c1 587017952 QGNBTMJMDMAIAL-UHFFFAOYSA-N 354.185 2.941 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CO)cc2[nH]1)C[C@H]1CCCO1 587197172 KSOLUIHAOPFIQV-CQSZACIVSA-N 361.442 2.971 0 1 FFAF COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1F 586952834 MMXKSAFKKOFYCY-UHFFFAOYSA-N 355.435 2.709 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nn2)N1 587794500 MTYWODSRGGNHOT-AYVTZFPOSA-N 352.207 2.882 0 1 FFAF COC(=O)c1cccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1 962765181 MFYSJGZEELYFBF-GJZGRUSLSA-N 364.323 2.603 0 1 FFAF Cc1cc(Nc2nc(N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1 1772630139 GTSYNZQUSJHHQJ-UHFFFAOYSA-N 357.849 2.986 0 1 FFAF Cc1c(C(=O)C(N)=O)c2c(CCC(=O)O)cccc2n1Cc1ccccc1 13446161 BFEOFCACIIMPHR-UHFFFAOYSA-N 364.401 2.683 0 1 FFAF O=c1[nH]nc(Cc2ccc(F)c(-n3c(O)c4c(c3O)C4)c2)c2ccccc12 169718804 YYAKDDGQMGWMPK-UHFFFAOYSA-N 363.348 2.759 0 1 FFAF N[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1 205243265 IZVRVJUQKJASMV-HNNXBMFYSA-N 357.421 2.619 0 1 FFAF CC1CCN(C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc3CN2)C(C)C)CC1 1857746389 QSGFQCPMCVXKKE-WOJBJXKFSA-N 361.505 2.713 0 1 FFAF COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccccc3)c2=O)cc1 4238575 PXFMFKPONFFSMS-UHFFFAOYSA-N 360.373 2.860 0 1 FFAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Br)cc1 103538808 STHKAYDGTPJDEZ-RVROTUBLSA-N 364.203 2.937 0 1 FFAF CO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 101882070 LNWZPMHABIQESG-DPEHCCBOSA-N 364.423 2.769 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302643 KHXJSERNUXHHSP-HUUCEWRRSA-N 355.438 2.763 0 1 FFAF N[C@@H](c1ccccc1)c1csc(Nc2ccc(C(=O)NCCO)cc2)n1 61903388 BTCVWTAHUOSEEB-KRWDZBQOSA-N 368.462 2.657 0 3 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118917531 JHBBZIAPXDEPET-OWRNNQENSA-N 350.499 2.537 0 1 FFAF Cc1cc(=O)n2nc(COc3ccc(Br)cc3)sc2n1 66166316 FKOABTYKUNHAEV-UHFFFAOYSA-N 352.213 2.801 0 1 FFAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 2356873452 YGVSZJJKFQFKBE-KFILVGPFSA-N 350.455 2.788 0 1 FFAF COC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@@H]1C 84655366 LIBTYMCGVFQLCA-GFCCVEGCSA-N 372.421 2.787 0 1 FFAF CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1cccs1 618013071 DWVYPFWKBZGMPD-WZTLGTBRSA-N 372.494 2.523 0 1 FFAF CC1(C)Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2C[C@H]1O 32289859 FGODEADFHOJKFY-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic N[C@H]1C[C@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)ccc1F 653905731 HAJWXTFZZCDBAH-LBTNJELSSA-N 369.419 2.987 0 1 FFAF CN[C@@H](c1cccnc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587225894 ZAIRDTYBVVRFJT-ZDUSSCGKSA-N 370.356 2.560 0 1 FFAF COCC(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587563579 UZXQNEIWGKJPQE-UHFFFAOYSA-N 367.121 2.982 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 587028725 ZOIZPYZIQGIYHU-OAHLLOKOSA-N 364.496 2.703 0 1 FFAF Nc1ncnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587173452 WBOZGPBIAYLCKO-UHFFFAOYSA-N 354.320 2.530 0 1 FFAF CN(C)c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)nc1 587194511 HINKVCCFZUNFKI-UHFFFAOYSA-N 370.356 2.984 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587853599 AIZHQRYEKSQORS-KPWYMIHSSA-N 374.275 2.854 0 1 FFAF Cc1ncc2c(n1)CCC[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228096 IAFUIXFDHRZNTF-CTNGQTDRSA-N 360.417 2.512 0 1 FFAF CCCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCCC1 208567023 HIOSWAKUGIPUHL-UHFFFAOYSA-N 359.478 2.624 0 1 FFAF COc1cc2nc(N(C)C(C)C)nc(NC3CCN(C)CC3)c2cc1OC 1772634692 RINVPEJSDRLKKC-UHFFFAOYSA-N 373.501 2.998 0 1 FFAF Cc1ccc2c(-c3ccccc3)cc(=O)n(Cc3nnc(S)n3N)c2c1 1857578785 GLYSXIOFXRVWSH-UHFFFAOYSA-N 363.446 2.619 0 1 FFAF CN1C(=CC=C2C=c3ccccc3=N2)C=C(N2CCOCC2)c2ccccc21 1857621981 BTDVKDAIQDCWJD-UHFFFAOYSA-N 369.468 2.691 0 1 FFAF COc1ccc2c(c1)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1ccc2c(c1)OCO2 1645034 ANZVNOLRPPUMRK-HNAYVOBHSA-N 351.358 2.701 0 1 FFAF O=C(NC[C@H]1CCCO1)c1onc(CSc2ccccc2)c1C(=O)O 8672407 KTLVGKRNOWPEIH-LLVKDONJSA-N 362.407 2.574 0 3 FFAF CCN(Cc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27181430 QDXFWCAUHSXDNJ-SFHVURJKSA-N 352.434 2.790 0 1 FFAF COc1ccnc(C[S@](=O)c2nc3cc(F)c(F)cc3[nH]2)c1OC 27551719 IBNUXJVMGNYKEY-XMMPIXPASA-N 353.350 2.561 0 1 FFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@H](CC(=O)C[C@@]3(C)CO)[C@@H]2CC1 2356580227 NHDNEERFVCQDDL-SQDPYLFBSA-N 364.482 2.641 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H](O)CC1 2356858399 SZTYJILCJAFDKH-WUOIFLIFSA-N 350.455 2.798 0 1 FFAF COc1cc(Cc2c(N)nc(N)nc2-c2ccccc2)cc(OC)c1O 27627371 IJVPZDVYHDXXNS-UHFFFAOYSA-N 352.394 2.622 0 1 FFAF CCCn1c(=O)c2[nH]c(C34CC5C[C@@H](C3)[C@H](C5)C4)nc2n(CCC)c1=O 34800819 IDHJABAMUQNMKF-NOGQBPGJSA-N 356.470 2.784 0 1 FFAF in-vivo CCOC(=O)/C(=C\NC[C@H](O)c1ccccc1)c1nc2ccccc2[nH]1 31905322 IQZMGWBRLZOIPT-NZHZHZHDSA-N 351.406 2.790 0 1 FFAF C[C@@H](C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl 211113483 RKVTUBMTXZINFU-LLVKDONJSA-N 370.844 2.971 0 1 FFAF CC1(C)Oc2ccccc2[C@@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 72107917 MGZBWEORPRHZEM-GOSISDBHSA-N 361.401 2.501 0 1 FFAF CC(=O)c1cccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)c1 73220157 DSTNEAOJRGCBHS-UHFFFAOYSA-N 361.449 2.833 0 1 FFAF COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1O 14760253 JSRLRXYURNHHDK-LSDHHAIUSA-N 356.374 2.704 0 1 FFAF biogenic Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@H]1CC[C@@H](C2)N1 96175159 NGDBOMGGLJOGAD-SUMWQHHRSA-N 367.474 2.943 0 1 FFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@@]12C(=O)N(C)c1ccccc12 473151278 OZJMVZCRAHHWJU-JBYIUTFZSA-N 363.413 2.901 0 1 FFAF N=c1[nH]cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550811 BRVGJYNZSOJZNA-LRDDRELGSA-N 369.764 2.951 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccnc(Br)c2[nH]1 586961807 LYIULTJUAKFJAR-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)S(C)(=O)=O)N1 587849069 JLNJYHQYASTEBX-AMIZOPFISA-N 364.280 2.987 0 1 FFAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1OC 587116653 AFJZKXSLMJODJT-UHFFFAOYSA-N 354.288 2.777 0 1 FFAF COCCCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963547216 AEDOFHYPZCXTTH-AZUAARDMSA-N 371.433 2.804 0 1 FFAF Cc1nc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n(C)c1C 962647885 YUHFZKUMALDWNE-UONOGXRCSA-N 369.343 2.624 0 1 FFAF CN(C)CC(=O)N(C)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1 1772587563 HZDYNNTXDHQOJF-UHFFFAOYSA-N 367.493 2.710 0 1 FFAF CCOC(=O)CN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C1=O 13474086 CKDAXAPPJOLVCY-LSDHHAIUSA-N 374.437 2.620 0 1 FFAF CN1CCc2c3c(n(-c4ccc5c(c4)CNC5=O)c2C1)CC(C)(C)CC3=O 169308148 IWANPRJGCILZPU-UHFFFAOYSA-N 363.461 2.864 0 1 FFAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)C/C=C/[C@@H](O)[C@@H](O)CC/C=C\2 169727609 RARIQBVDTKXPRY-NSJWBPMASA-N 362.422 2.724 0 1 FFAF Cc1cc(C(=O)N2C[C@H]3[C@@H](CN(C)CCc4ccccn4)[C@H]3C2)c(C)o1 1857601171 ZGPVOWVCJTTXJF-ACDBMABISA-N 353.466 2.784 0 1 FFAF Cc1ccc(NC(=O)CN2C(=O)C[C@H](C)S(=O)(=O)c3ccccc32)cc1 6806554 WETIPXQHVDXUOH-AWEZNQCLSA-N 372.446 2.533 0 3 FFAF COc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28476903 QZVYZHJXONLCOO-UHFFFAOYSA-N 356.403 2.705 0 1 FFAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC 104115969 JZXSCYRUIPSLND-IBOXJLQUSA-N 373.413 2.972 0 1 FFAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(OC)c1 103219741 KEYKFARNURQLOX-JICACKBISA-N 369.417 2.705 0 1 FFAF N[C@@H](Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 69487723 RNMSHTFOLZWYIU-INIZCTEOSA-N 351.406 2.682 0 1 FFAF endogenous,in-vitro Cc1c(OCCc2ccccc2)ccc2c(=O)nc(N3CCOCC3)oc12 28713170 XQYIYRKJHYSIIJ-UHFFFAOYSA-N 366.417 2.955 0 1 FFAF COC(=O)c1c(C)c(OC(=O)c2c(C)cc(O)c(C=O)c2O)cc(C)c1O 12725984 UCBPPQVWOYURFN-UHFFFAOYSA-N 374.345 2.547 0 3 FFAF biogenic CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 34089682 RGRWYCYUUQCYCB-NSHDSACASA-N 358.364 2.618 0 1 FFAF CO[C@@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@@](O)(CO)C5)C1=CC(=O)O2 136451418 WGZVRWCVRXZGME-UYLSDMCMSA-N 362.466 2.552 0 1 FFAF CCc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 43118372 OQLODOGGOMSJDF-INIZCTEOSA-N 351.406 2.539 0 1 FFAF COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150572 YYTDLKLBLHAFIG-UHFFFAOYSA-N 358.417 2.649 0 1 FFAF CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)Nc1ccccc1)c(C)n2O 96911058 MVAPPYCDVNSMSV-UHFFFAOYSA-O 368.369 2.531 0 1 FFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@@H](C)OC)[C@@H]23 28974137 LTOOPESWVADEAE-NMAQRDEPSA-N 354.450 2.536 0 1 FFAF biogenic O=C1CCc2cc(/C=C/C(=O)N3CC(COc4ccccc4)C3)cnc2N1 299826242 UVJLFLCCLXYDAU-RMKNXTFCSA-N 363.417 2.517 0 1 FFAF COC(=O)C[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521354 CNWQJYJNZIQYLC-MGPUTAFESA-N 360.406 2.642 0 1 FFAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc2c1 586907796 XMNHMZWINCURPC-QMMMGPOBSA-N 367.199 2.921 0 1 FFAF Clc1ccc(C2=C[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)ON2)cc1 587074994 ATBJZABQQVPDQC-INIZCTEOSA-N 365.784 2.809 0 1 FFAF C[C@@H](Cn1cc(Cl)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651052 AKUMUZDCKZQHRS-VIFPVBQESA-N 351.193 2.876 0 1 FFAF CC[C@@H](C)n1ncc(I)c1-c1nc2cnncc2[nH]1 587180202 DZJLEBBZJLPMRI-SSDOTTSWSA-N 368.182 2.792 0 1 FFAF NC(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587007494 ZMLUTCPKQLGYIN-UHFFFAOYSA-N 356.183 2.739 0 1 FFAF O=S(=O)(Cc1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1 586924117 HXFSQZOXZQHSCH-UHFFFAOYSA-N 359.245 2.888 0 1 FFAF CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)OC)nc(O)c23)CO1 5093113 JBBLBKYSZJHABK-HNNXBMFYSA-N 354.453 2.903 0 1 FFAF CCOC(=O)N1CCC(Nc2nncc(-c3ccc(OC)cc3)n2)CC1 12835454 PJZGISOGRCULNV-UHFFFAOYSA-N 357.414 2.580 0 1 FFAF C[C@@]1(c2nnnn2C2CCCC2)CCC(=O)N1c1ccc2c(c1)OCCO2 169303788 GWHZRCAUOGRBPH-IBGZPJMESA-N 369.425 2.602 0 3 FFAF Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C 168473232 BCXRNFPHFTVMNW-CMDGGOBGSA-N 368.466 2.951 0 1 FFAF O=C1O[C@H](c2cccc3c2OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 2356347941 SGWLAVZUOVBYOW-PBZHRCKQSA-N 368.341 2.746 0 1 FFAF COC(=O)[C@H]1CCC(=O)N1[C@H](c1ccccc1)c1ccc(OC)c(OC)c1 1645070 NCBACGVNPSVGJA-OXQOHEQNSA-N 369.417 2.957 0 1 FFAF Cc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1 2954177 AIFRETWAWCTKHW-UHFFFAOYSA-N 359.491 2.967 0 3 FFAF CCOC(=O)[C@@H]1CCCN(c2[nH]cnc3c4c(OC)cccc4nc2-3)C1 101668933 VCVBLHRPOREOMP-GFCCVEGCSA-N 354.410 2.851 0 1 FFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2 117360683 PNGLNUUGIVGKKR-UHFFFAOYSA-N 367.424 2.545 0 1 FFAF CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)[C@H](NC)C4 27414196 OYIKPBIRVBYLLZ-PSOYPTMXSA-N 359.466 2.776 0 1 FFAF CCCC[C@@H](O)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 29220986 CWFWVHVOXAMUKK-MRXNPFEDSA-N 374.485 2.997 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13CO[C@@]4(CC(=O)O[C@H]4O)[C@H](C[C@H]21)O3 38494316 CZDYQLGYCQVJML-MSQMNUSBSA-N 350.455 2.791 0 1 FFAF Nc1ccc(S(=O)(=O)Nc2nccc(-n3ccc4ccccc43)n2)cc1 1911581007 ZQYPKHCXCNTGNO-UHFFFAOYSA-N 365.418 2.804 0 1 FFAF CCc1nc(C(=O)N[C@H](C(=O)OCCc2ccccn2)C(C)C)cs1 82070371 JDJLZPYNUKYACD-INIZCTEOSA-N 361.467 2.641 0 1 FFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(OC(C)C)cn3)C2)cc1 142184805 UBQVALWGZPSNLC-AWEZNQCLSA-N 370.453 2.729 0 1 FFAF COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2 95572827 DMXTVXWEGNJBRF-UHFFFAOYSA-N 373.459 2.801 0 1 FFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCCCC3)c21 96021158 QOBLBGXWTPQBPC-QGZVFWFLSA-N 372.490 2.959 0 3 FFAF Nc1cc(O)cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 95920801 GLRIVBFMSWURTM-UHFFFAOYSA-N 363.377 2.562 0 1 FFAF in-vitro CN1[C@H]2C[C@@H](O)[C@H](Cc3ccccc3)[C@@H]1C[C@@H]2OC(=O)c1ccccc1 238772606 GCUXPQRWLZDZQJ-IFLJBQAJSA-N 351.446 2.908 0 1 FFAF O=C(CN1CCC(O)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1 96178021 VECQMWJFKBDJJS-UHFFFAOYSA-N 362.433 2.692 0 1 FFAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253639116 XXYXPBFLSNTPKS-BXYJZGPVSA-N 369.461 2.529 0 1 FFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 587236509 XCCJOEDBYDUVOA-NTSWFWBYSA-N 373.048 2.937 0 1 FFAF CC(=O)SCc1cc(O)n(-c2cnc(C)c(Br)n2)c1O 587939857 KFRZQUCZONMYDU-UHFFFAOYSA-N 358.217 2.529 0 1 FFAF O=[S@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC1CC1 586960723 XSUVOQCSCLVGEG-QFIPXVFZSA-N 366.386 2.515 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)nc(S)n2)N1 587842097 DCLVMSFYCKPBCJ-CAAJLBCPSA-N 370.247 2.996 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CSC[C@@H]1C(=O)OCC)CC2=O 587496153 RXQIWHGZNDNZOT-FZKQIMNGSA-N 350.436 2.975 0 1 FFAF Cc1nccc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 587024215 QHNRFCBDNHHFNV-UHFFFAOYSA-N 365.422 2.751 0 1 FFAF COc1ncnc(N)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745390 JPNNSOXWCZPWOA-UHLUBPPHSA-N 367.222 2.593 0 1 FFAF Cc1cccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963528486 SSYABUSFXPNWDS-OXJNMPFZSA-N 363.417 2.883 0 1 FFAF CNS(=O)(=O)c1sccc1[C@@]1(C)NCCc2c1sc(C)c2C 963010259 MSCUSMQVIFHKNC-OAHLLOKOSA-N 356.538 2.744 0 1 FFAF COCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCN(C#N)C1 1857555486 IEVPIDPBYIXIQS-AWEZNQCLSA-N 356.348 2.741 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@]2(C)CO)ccc1O 2356375356 ABQRSIJJVGOZCP-NHCUHLMSSA-N 374.433 2.718 0 1 FFAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCc1ccsc1 103536192 JLPVCQDJKJOMMB-UHFFFAOYSA-N 352.419 2.662 0 1 FFAF CC(C)NC(=O)NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 2356302571 ZFPSGMROCQFTFA-LLVKDONJSA-N 356.348 2.834 0 1 FFAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)c1 2356607839 TYJYBYSNFUCICQ-PKOBYXMFSA-N 360.406 2.544 0 1 FFAF CC(=O)N[C@H](C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 27994580 YJZJQDZQTHPUEI-OAHLLOKOSA-N 356.445 2.740 0 1 FFAF COC(=O)[C@H]1[C@H](CO)[C@@H]2C(c3ccccc3)=C[C@H]1CN2Cc1ccccc1 2356723522 LYFMPIOFKDBKLF-UVUJQTEASA-N 363.457 2.982 0 1 FFAF OC[C@H]1[C@@H](COCc2ccccc2)C[C@@H]1n1cnc2c(Cl)ncnc21 28709834 JDMXELSBXFFVRB-ILXRZTDVSA-N 358.829 2.866 0 1 FFAF NC(=O)[C@@]1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 73222544 GTCOPJFZVPGUCA-LJQANCHMSA-N 374.824 2.816 0 1 FFAF CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073279 RJFLYTVFGUGARE-MRXNPFEDSA-N 373.478 2.520 0 1 FFAF COc1ccc(-n2nnnc2[C@@]2(C)CCC(=O)N2Cc2ccccc2)cc1 199242781 NOXSXKBAOWBNLV-HXUWFJFHSA-N 363.421 2.709 0 3 FFAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)c(F)c2)s1)C(=O)O 144314595 RKCUDMPDZXZHNG-MRVPVSSYSA-N 350.371 2.654 0 1 FFAF O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 145632086 RIMRKDGYTXWJAT-FKGLVLAHSA-N 365.414 2.707 0 1 FFAF Cc1cc(C)nc(Nc2cc(N[C@@H](C)c3ncc[nH]3)cnc2C(N)=O)c1 299859960 IQNQCFVVBVLBQR-LBPRGKRZSA-N 351.414 2.832 0 1 FFAF CN(C)S(=O)(=O)NCCCN1c2ccccc2CCc2ccccc21 473137703 ZPZYUXBEOKLEHK-UHFFFAOYSA-N 359.495 2.709 0 1 FFAF CC(=O)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F 473087635 LDQGPRGLZGHGOG-LBPRGKRZSA-N 366.133 2.612 0 1 FFAF Cc1cc(C)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 586954424 BITNGNAGYGMUCP-UHFFFAOYSA-N 370.478 2.747 0 1 FFAF COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587440925 BWZPQRVOCGRIFY-VLIAUNLRSA-N 354.358 2.850 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](C(=O)O)C2)N1 587827744 QKRPULPLFXEGNW-DRGRQASISA-N 370.218 2.772 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc12 587174509 JYAIRYYSJFIMFS-ZDUSSCGKSA-N 353.357 2.607 0 1 FFAF CCn1nc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962971296 HPZAMUJLEUDLGT-IUODEOHRSA-N 355.772 2.831 0 1 FFAF CCc1nn([C@H](CC)C(=O)N[C@H](C)CC)c(=O)c2cc3oc(C)cc3n12 6821514 XRSVYFHQWFMITR-DGCLKSJQSA-N 358.442 2.979 0 1 FFAF COc1c(Cl)cc(Cl)c(O)c1C(=O)NC[C@@H]1CCCN1CC[18F] 101436057 SUMSSRZHRHBCGI-NDJNCYDBSA-N 364.235 2.871 0 1 FFAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 34089683 RGRWYCYUUQCYCB-LLVKDONJSA-N 358.364 2.618 0 1 FFAF COc1ccc(-c2cc(-c3ccnc(N(C)C)c3)nc(=O)[nH]2)c(OC)c1 40977427 MIRQQHQYMXJKPT-UHFFFAOYSA-N 352.394 2.582 0 1 FFAF CNC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC)cn3)cc2)nc1 40861630 XWIHGZRUULLGRF-UHFFFAOYSA-N 374.452 2.943 0 1 FFAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)O)cs2)c1 82085166 RJYLBJXHUSJHCX-CQSZACIVSA-N 362.407 2.517 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 136198460 KQRXQIPRDKVZPW-USEHDAJUSA-N 370.357 2.925 0 1 FFAF Nc1cnc(-c2ccc(C3CCC3)c(OCCN3CCOCC3)c2F)cn1 224581095 NQCLZYATWAVKCH-UHFFFAOYSA-N 372.444 2.843 0 1 FFAF CN(c1nc(Cl)c(C#N)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149047623 ONJYZFNDMZBOIV-LLVKDONJSA-N 371.807 2.732 0 1 FFAF COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](O)CCC=C2 299816179 SGAPQINNJDWPIZ-VBNZEHGJSA-N 350.411 2.645 0 1 FFAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 299849743 VHOQUFMDTFRUCM-ABSDTBQOSA-N 366.509 2.795 0 1 FFAF COC(=O)c1cc2nc(COCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 587563691 WPKJRLNDADNSJD-UHFFFAOYSA-N 373.340 2.833 0 1 FFAF c1cn2c(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)csc2n1 587040833 RRVNYTOEDDZIAE-UHFFFAOYSA-N 353.451 2.695 0 1 FFAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)nc2cccc3c2c1CC3 587211049 KLXPYMQITVHMEM-QGZVFWFLSA-N 352.434 2.650 0 1 FFAF COC[C@@]1(c2ccnn2C)c2cccc(Br)c2CCN1C 963279846 JTEWSOKZIPIQES-INIZCTEOSA-N 350.260 2.561 0 1 FFAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1O)C(F)(F)F 13760211 GRZXMPCZLPYDIS-INIZCTEOSA-N 353.296 2.875 0 1 FFAF CSc1c(C(=O)c2nccc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C 14514708 QSWHIHLZZKUSRP-UHFFFAOYSA-O 353.427 2.538 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3CCC(=O)N32)OCO4)cc1 17257205 MREHBXFNHVGEBG-BEVDRBHNSA-N 353.374 2.551 0 1 FFAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@H]1COc2ncccc21 205616016 GYTSAQDZDZROII-ZDUSSCGKSA-N 353.205 2.673 0 1 FFAF O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(N3CC[C@@H](O)C3)ccc21 205630175 TVKZERPTKNAAIW-CQSZACIVSA-N 367.430 2.587 0 1 FFAF Cc1sc([C@@H]2CCCN2C(=O)CCN)cc1C(=O)Nc1nccs1 1857656222 UMMZOONDVIULII-LBPRGKRZSA-N 364.496 2.778 0 1 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356429641 COVZJTJPORVSID-RHSMWYFYSA-N 374.391 2.845 0 1 FFAF COc1cc2[nH]c(=S)nc(NCCCN3CCCC3=O)c2cc1OC 4919144 ZDOUZYKYVGNEDP-UHFFFAOYSA-N 362.455 2.734 0 1 FFAF CC1CCC(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 6839805 WPWFAYZYZSCHQS-UHFFFAOYSA-N 373.478 2.683 0 3 FFAF C[C@H]1N(C(=O)c2ccccc2)CCO[C@@]1(Cn1cncn1)c1ccccc1 27309671 KTMNGLOATKAUSA-DYESRHJHSA-N 362.433 2.735 0 1 FFAF O=c1c(CNCc2ccccc2)c[nH]c2nc(N3CCCC3)c(F)cc12 26991687 JKEZNQONXCRKFS-UHFFFAOYSA-N 352.413 2.952 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(C)=O)CC(C)=CCC1 2356571377 PMYTWBUCBFNKSN-PBZHRCKQSA-N 350.411 2.716 0 1 FFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2[nH]ccc2n1)c1ncc(F)cn1 68204687 OUALHPDZWRDTBH-VIFPVBQESA-N 353.365 2.537 0 1 FFAF COCCN1C(=O)COCc2ccc(-c3cccc(C(=O)OC)c3)cc21 74375716 YABVZMOVEGMXPD-UHFFFAOYSA-N 355.390 2.650 0 3 FFAF COc1c(O)c2c(c3c1[C@H](CO)OC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@]21C 14816268 VFAWCZCJUTVMRS-DCVWQXJKSA-N 374.433 2.814 0 1 FFAF biogenic CCCCn1nnc2cc3c4c(cccc4c21)C(=O)N(CCN(C)C)C3=O 73199978 WGNOVGWSADFUFQ-UHFFFAOYSA-N 365.437 2.542 0 1 FFAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)cc(OC)c3)O2)cc1 45253013 YWNKQWTWCLRXOZ-LJQANCHMSA-N 356.378 2.952 0 1 FFAF CNCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O 49047271 PITDIXLZXHYFAC-UHFFFAOYSA-N 367.421 2.773 0 1 FFAF OCC1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40916643 JHJRGJMWYNAMQH-NRFANRHFSA-N 351.450 2.819 0 1 FFAF O=C(CNC(=O)Nc1ccccc1)Nc1ccc2[nH]cc(C(=O)O)c2c1 95577632 URSGSBKYLGFOGG-UHFFFAOYSA-N 352.350 2.626 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 96175158 NGDBOMGGLJOGAD-DYVFJYSZSA-N 367.474 2.943 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1 32289868 MPYLJLHMKWTFTC-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic COC(=O)c1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cn1 586917575 SYOYGPKHQHYWOW-RBZFPXEDSA-N 365.389 2.961 0 1 FFAF Nc1cncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587254940 ZFAYFGLGCMZRFW-UHFFFAOYSA-N 371.569 2.860 0 1 FFAF NC(=O)c1cccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587110731 AQNVXYUFHVWYEI-UHFFFAOYSA-N 362.311 2.611 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(N)cc(O)n1 587863273 WTQVRBVUUAGHKR-UHFFFAOYSA-N 351.288 2.645 0 1 FFAF CC(=O)OC[C@@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225338 DCOOMIGNDNLXKM-YLJYHZDGSA-N 356.422 2.638 0 1 FFAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206689 BVZMKUZMOXRNKX-ZFWWWQNUSA-N 350.827 2.602 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@H]3F)[nH]c2c1 2356299998 RRMKUBKJUCYIRB-CRAIPNDOSA-N 356.401 2.706 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3ccc(N)cc3)oc2c1 100807420 IJYYLEUDUIBMBQ-MRXNPFEDSA-N 368.433 2.780 0 1 FFAF CC(C)CNC(=O)c1ccc(OC[C@H](O)[C@@H](C)NC(C)C)c(Cl)c1 28767900 BMGOQEXYMZQIGL-CJNGLKHVSA-N 356.894 2.852 0 1 FFAF OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@@H]1F 26495535 BJWKGTQPLVXLDV-CHWFTXMASA-N 355.580 2.585 0 1 FFAF CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 101938905 NTGQCMRXASLWIR-GAOXESHGSA-N 355.434 2.729 0 1 FFAF CN(C)c1cnn(CC(=O)Nc2cccc3c4c(oc23)CCCC4)c(=O)c1 20351069 XTGMUTFYTPLORR-UHFFFAOYSA-N 366.421 2.573 0 1 FFAF CN1Cc2c(n(Cc3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O 29416976 HTCJNSNPILDDFS-UHFFFAOYSA-N 370.412 2.797 0 1 FFAF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71281488 FSQYKDVXAWOXFX-INIZCTEOSA-N 357.845 2.671 0 1 FFAF CCN1C(Nc2nc3ccc(OC)cc3s2)=NC[C@]12CN1CCC2CC1 210819186 IANXFXWOSCOLOE-LJQANCHMSA-N 371.510 2.873 0 1 FFAF COC(=O)N1C(c2ccccc2)=NN=C(c2ccccc2)N1C(=O)OC 40504815 XHQTUUCDZDJOGY-UHFFFAOYSA-N 352.350 2.860 0 1 FFAF CN(C)CCN1C(=O)c2cccc3cc(N4CCCCC4)cc(c23)C1=O 40859897 HJKSZQRXLYAOCL-UHFFFAOYSA-N 351.450 2.988 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@@H]2CNC(C)=O)cc1 95570721 ZOZCRGVIGAMXOJ-VEVSKQIUSA-N 365.477 2.580 0 1 FFAF Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1[C@@H]1CNCCO1 149980941 MQGNMIIJRCNAPE-ZDUSSCGKSA-N 372.322 2.961 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)[nH]c12 587786539 RFHJKHGCHCJNKW-KGLIPLIRSA-N 351.362 2.688 0 1 FFAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 587369088 UJYMPARRKXECRF-CYBMUJFWSA-N 373.796 2.979 0 1 FFAF COC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228656 VVOMUGRLYDOAKX-UHFFFAOYSA-N 353.378 2.818 0 1 FFAF CC1(C)OC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618924 VNRWAVDFVQBYBG-QRWLVFNGSA-N 368.341 2.870 0 1 FFAF CCOC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586950347 UWFNXKWWNMIRND-UHFFFAOYSA-N 373.434 2.702 0 1 FFAF Nc1cc(C(=O)O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587249924 SOEMVLBTSYIVTI-UHFFFAOYSA-N 351.135 2.807 0 1 FFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(=O)O 587398135 CFZYFDKHJONNJT-INIZCTEOSA-N 357.362 2.756 0 1 FFAF CCOC(=O)C1(C(=O)OCC)CCc2nc3cccc4c3c(c2C1)CC4 587211399 FJIACODDPMMIKF-UHFFFAOYSA-N 353.418 2.935 0 1 FFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1OCC3 587365576 FAZAHSSYIQAGMC-UHFFFAOYSA-N 360.167 2.800 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@]12c1ccsc1CCN2Cc1cccnc1 962999620 YSZDYBZGADMQFO-MSOLQXFVSA-N 362.520 2.994 0 1 FFAF OCc1cc([C@@H](O)CNCCc2ccc(Br)cc2)ccc1O 169350769 VWWJBLDOSAHQNF-KRWDZBQOSA-N 366.255 2.513 0 1 FFAF CCc1cc(-c2cc([C@H](O)C3CC3)n3ncnc(N)c23)cc(F)c1CO 205821116 MDTULDMQZUPSIY-GOSISDBHSA-N 356.401 2.616 0 1 FFAF C/C=C(\C)C(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C 111957216 KKDRQZCQNSHBHY-YKXBDCQTSA-N 374.389 2.582 0 1 FFAF CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OS(=O)(=O)O)cc12 72106736 CYZHJQAGQNTIKT-UHFFFAOYSA-N 358.368 2.887 0 1 FFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@@H](CO)[C@H](O)C3 2356656811 YNMLSPGNWXNXLY-MNJFHPAQSA-N 364.482 2.943 0 1 FFAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1cccc2c1OCO2 2356730736 DZQIOXLVCCKALJ-AWEZNQCLSA-N 352.342 2.943 0 1 FFAF Cc1cc2nc(CO[C@@H]3CN(Cc4nccn4C)C[C@H]3F)[nH]c2cc1C 2356734040 MTHGVHPCVQVONZ-RHSMWYFYSA-N 357.433 2.652 0 1 FFAF CS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1 71317934 PQYORBMXWUHIGG-UHFFFAOYSA-N 366.874 2.633 0 1 FFAF CC[C@@H]1CSC(/C=C/[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 31908328 GPBCQGAAWLZWIS-TXNGXYIFSA-N 369.483 2.863 0 1 FFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1N 82207717 DLKXHOFIICXKTB-SFIWIKQBSA-N 373.497 2.637 0 1 FFAF CC(=O)c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 40892482 FWLCHNFMZCXYAV-UHFFFAOYSA-N 357.435 2.941 0 1 FFAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1 149758872 QUMBJVLZNXZUMW-UHFFFAOYSA-N 359.393 2.589 0 1 FFAF COc1ccc2c(c1C(=O)O)-c1c3c(c(OC)c4c1[C@H](C2)NCC4)OCO3 29042021 NUPZSCVEOLWYJE-NSHDSACASA-N 369.373 2.541 0 1 FFAF biogenic CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@@H]1CCCO1 587392862 WJZDESFDFPRVRQ-XOBRGWDASA-N 356.422 2.596 0 1 FFAF NC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169085 UPYDRCFYKOJPEQ-UHFFFAOYSA-N 362.368 2.926 0 1 FFAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587430312 DBZLINSXHAVFKJ-OLIFAPLXSA-N 367.449 2.764 0 1 FFAF O=C1Cc2c3c(n(-c4cc(Cl)cc(Br)c4)c2O1)OC(=O)C3 587941023 OZYAINFWGBYHEI-UHFFFAOYSA-N 368.570 2.816 0 1 FFAF COC(=O)c1noc(C)c1[C@]1(C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962628718 QDPUPLQYWNAPLC-BIBXISHDSA-N 374.437 2.927 0 1 FFAF c1cc(CNCCCN2CCCC2)ccc1CNCCCN1CCCC1 138726736 JCFOJFSFYPKFOR-UHFFFAOYSA-N 358.574 2.838 0 1 FFAF O=C(O[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ccncc2)c2ccccc12 1772576267 CBGHIKJOLCQEGB-SCAQPMJSSA-N 363.417 2.702 0 1 FFAF COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1 13762316 PNUAYJRARXKVQH-UHFFFAOYSA-N 359.857 2.858 0 1 FFAF COc1cc(C(=O)O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC 1630490 OQSXWPNAXDUXCF-UHFFFAOYSA-N 360.318 2.619 0 1 FFAF CCCCCCN(C)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 2499597 GEMCKEPMDHDKQI-UHFFFAOYSA-N 360.458 2.830 0 1 FFAF O=C(CN1C(=O)CSc2ncccc21)N[C@H]1CCCc2ccccc21 6802497 RSUOYNJLRXOEPW-HNNXBMFYSA-N 353.447 2.714 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@]3(C)N(C)C[C@@H]2O 2356667842 SBQQYHIOVRPXMT-YEJXKQKISA-N 371.433 2.835 0 1 FFAF Cc1noc(C)c1-c1nc(NCCN2CCOCC2)c2ccccc2n1 33362330 NJUURWVVGVLSFM-UHFFFAOYSA-N 353.426 2.646 0 1 FFAF COC(=O)c1cc([C@H](O)CN[C@H](C)CCc2cccc(F)c2)ccc1O 45228026 KCJKTFJEFYNACI-BFUOFWGJSA-N 361.413 2.962 0 1 FFAF O=C1C[C@H](c2ccccc2)CCN1C[C@@H](O)CN1CCc2ccccc2C1 224303475 JGLKMORHYGTOQD-IRLDBZIGSA-N 364.489 2.812 0 1 FFAF Cn1cc(-c2ccc(CN3C(=O)[C@@](C)(O)c4ccccc43)c(F)c2)cn1 95596392 SZRALRWWDXSXJF-FQEVSTJZSA-N 351.381 2.981 0 1 FFAF CCN(CC)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)O 299858793 UHIVRNOKMGBAHT-UHFFFAOYSA-N 363.439 2.735 0 1 FFAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)c[nH]c-4n3)no2)n1 587119398 WUGOPKDUWMGSDZ-UHFFFAOYSA-N 369.694 2.877 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586922853 TWDWBHXTOYAOCZ-UHFFFAOYSA-N 357.435 2.725 0 1 FFAF COC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 586996627 IKSDIALDTLUGEY-GFCCVEGCSA-N 362.183 2.589 0 1 FFAF CN1C=C(C(=O)O)[C@@]2(NCCc3ccc(O)cc32)c2cccc(Cl)c21 963341138 LHLBOKHBKGJIEH-LJQANCHMSA-N 356.809 2.853 0 1 FFAF CC[C@@H]1/C=C\[C@@H](O)[C@@H](O)C/C=C\c2cc(OC)cc(O)c2C(=O)O[C@H]1C 169320435 BBBYYQVMEHVGSS-WBWAVFDPSA-N 362.422 2.667 0 1 FFAF CC(C)(C)C(=O)NC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2)c1O 169691168 MIHKCTSWHSBRNT-ZUOKHONESA-N 354.406 2.887 0 1 FFAF O=C1c2cc(COc3ccc(F)cn3)nn2CCN1c1ccc(F)cc1 205357872 CBTXRHABDNCTBZ-UHFFFAOYSA-N 356.332 2.796 0 1 FFAF CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccc2c(c1)OCO2 205229756 IBGGCKVHQOAKJL-LJQANCHMSA-N 371.368 2.923 0 3 FFAF NC(=O)NCCNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857749705 YLABVEGEETZRGA-UHFFFAOYSA-N 361.449 2.878 0 1 FFAF C=CC(=O)N1CCOc2ccc(-c3nc[nH]c4ncc(CCOC)c3-4)cc21 1857764255 WBTMFYFSCHKNDM-UHFFFAOYSA-N 364.405 2.677 0 1 FFAF CCN1CCC[C@@H]1CNC(=O)Cn1cccc1C(=O)c1ccccc1C 4101847 SPRXMIWRUQJVDZ-QGZVFWFLSA-N 353.466 2.628 0 3 FFAF O=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1 4238538 OCRFPGKQVOPKJT-UHFFFAOYSA-N 362.364 2.953 0 1 FFAF Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n1 55042307 NQVHLVNNGLUIBJ-HXUWFJFHSA-N 364.493 2.817 0 3 FFAF O=C(O)c1ccc(CNC[C@@H]2COCc3nc4cc(F)ccc4n32)cc1 2356300061 SSFOCLXOQMBGNQ-OAHLLOKOSA-N 355.369 2.735 0 1 FFAF COC(=O)c1cncn1[C@H](C)c1cccc(I)c1 29054842 OMZVIOPAJRTZGC-SECBINFHSA-N 356.163 2.884 0 1 FFAF CO[C@@H](Cc1ccc2c(c1)OCO2)[C@H](Cc1ccc2c(c1)OCO2)OC 2356660164 GZNBWHVYMMHYHA-ROUUACIJSA-N 358.390 2.959 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC=C[C@@H]5NC4=C3C[C@H]12 2356843788 NPGZYYULZQXTPH-JHMUCCBASA-N 350.418 2.533 0 1 FFAF NC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)s2)CC1 66124537 KYMCGVZYRLXMKQ-UHFFFAOYSA-N 367.272 2.669 0 1 FFAF COC(=O)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 64235823 NFQDXCXQAAMGTN-AWEZNQCLSA-N 356.463 2.672 0 1 FFAF COc1ccc(S(=O)(=O)N2CCC[C@](O)(c3ccccc3)CC2)cc1 43121554 CTMRNVLOBOSBEA-LJQANCHMSA-N 361.463 2.758 0 1 FFAF in-vivo CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82139492 PGBBKELQKCXCBF-CYBMUJFWSA-N 358.417 2.966 0 1 FFAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 84671606 LCGXICSOUUGKKL-KRWDZBQOSA-N 359.447 2.727 0 1 FFAF O=C(NC1CC1)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473133989 AGNRMVALGXTJGJ-SFHVURJKSA-N 370.836 2.955 0 1 FFAF Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587745465 JSEKHWCNOOESPJ-UOWDBTKRSA-N 351.223 2.723 0 1 FFAF COC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354596 VGHVAAZIDLADTK-FXAWDEMLSA-N 372.348 2.781 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775264 QGLMMINBFOPVKD-UANNBLPKSA-N 368.206 2.721 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(Cc4ccccn4)CC1)[C@@H](C2)C3=O 587437464 INUIVLFLHIKHMF-KRWDZBQOSA-N 350.418 2.872 0 1 FFAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@]2(CCOC[C@@H]2F)N1C3 962639429 QJYDWOSVWLAQGJ-VHFSOBRXSA-N 362.445 2.905 0 1 FFAF COc1ccc([C@H](O)C2=C3C=C[C@@H]4C[C@@]3(OC2=O)[C@H]2CCCCN42)cc1 1772627099 INJZWOQLTXRIJA-DYZHCLJRSA-N 353.418 2.517 0 1 FFAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@@H]31 13660793 DJBZJHHPGHHHCA-NIKGAXFTSA-N 364.449 2.938 0 1 FFAF C/C=C1\CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 14415841 RCEFXZXHYFOPIE-FHTSKDIRSA-N 352.434 2.567 0 1 FFAF CCCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 1535692 SKABRRBNTBHDTE-MRXNPFEDSA-N 366.259 2.691 0 1 FFAF CO[C@@H]1CC=C2NN(c3ccccn3)C(=O)CC[C@]2(c2ccccc2)O1 64491904 UBZMDPHWNATRGA-VQTJNVASSA-N 351.406 2.885 0 1 FFAF CCCc1nc2nc(C)cc(N3CCN(Cc4ccccc4)CC3)n2n1 71928220 ISUGXFZNHBHQLP-UHFFFAOYSA-N 350.470 2.707 0 1 FFAF CCCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 36273986 OWEIZFWQMOUOHL-PIHIASKNSA-N 357.458 2.547 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 40165306 AOPOCGPBAIARAV-BKRSJWLHSA-N 350.455 2.905 0 1 FFAF endogenous,in-man COc1ccc2c(c1OC)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@H]1C2 14676855 HGOULPVLENVPRT-FMEYXAORSA-N 368.385 2.910 0 1 FFAF biogenic C[C@@H]1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139688607 CTRFYPHTLDFEAF-GFCCVEGCSA-N 355.413 2.894 0 1 FFAF CN1CCC=C([C@@H]2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 40394429 FKHRUGPZLFWZDX-INIZCTEOSA-N 351.903 3.000 0 1 FFAF COc1cc(-c2cc(=O)n3ncc(-c4ccn(C)n4)c3[nH]2)ccc1Cl 143371502 QLPCGJIYMICBGQ-UHFFFAOYSA-N 355.785 2.752 0 1 FFAF COc1cc([C@H]2OC[C@H](Cc3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O 143152374 SFMHPISSGZFAHZ-CKJXQJPGSA-N 374.433 2.957 0 1 FFAF biogenic,in-vitro COc1cccc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ccccn3)C2)c1 95592235 CLXRPRPXESZNAC-HOTGVXAUSA-N 353.422 2.561 0 1 FFAF C/C=C1\[C@@H]2NCC[C@H]1[C@](CO)(C(=O)OC)C1=Nc3ccccc3[C@]12CC 238750672 CTIFWXHLJCBKTR-VOHAUTBLSA-N 354.450 2.510 0 1 FFAF Cc1cc(Cl)nc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)c1C#N 149030788 BEULMSQGFTWTJJ-GFCCVEGCSA-N 367.844 2.902 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)[C@H]4CCOC4)ncc23)ccn1 261154878 PSILBFLVNYZSEA-OCCSQVGLSA-N 366.425 2.875 0 1 FFAF CCOc1ccc(NC(=O)[C@@H]2OC(c3cccs3)=NN2C(C)=O)cc1 299852214 OWWSUBDLKVLHGG-KRWDZBQOSA-N 359.407 2.652 0 1 FFAF CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454688 WBIAONVWBYXIKA-VLIAUNLRSA-N 360.406 2.561 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854931 DZHBTASUQJPCCN-AFEMSUNCSA-N 374.275 2.996 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(F)(F)F)cc2[nH]1 587204675 QYLXYNBWEKXHAI-GFCCVEGCSA-N 356.348 2.661 0 1 FFAF O=C(CCCCC(=O)OC[C@@H]1CC[C@H]2O[C@@H]2C1)OC[C@H]1CC[C@H]2O[C@H]2C1 100049393 DJUWPHRCMMMSCV-HVKXIDHRSA-N 366.454 2.768 0 1 FFAF COc1cccc(OC)c1OCCNC[C@H]1COC2(CCCCC2)O1 1772593388 HXMKXETZPYTSRY-HNNXBMFYSA-N 351.443 2.748 0 1 FFAF O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 5100601 PALHJXZCKYUWFS-SLDRDFCHSA-N 374.396 2.956 0 1 FFAF O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1)c1ccccc1 19367423 GAUKOIAUVRRGOI-GOSISDBHSA-N 374.488 2.640 0 1 FFAF CC(C)[C@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19445959 KEFWKNLZHYIESM-QGZVFWFLSA-N 372.473 2.536 0 3 FFAF CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(=O)(=O)O 13475311 OOGKMHFZHFWWPU-UHFFFAOYSA-N 363.479 2.866 0 1 FFAF COc1ccc(C[C@@]2(OC)Oc3c(ccc(OC)c3OC)C2=O)cc1OC 2356463878 PVSRXCBRJDSHCL-HXUWFJFHSA-N 374.389 2.882 0 1 FFAF CC(=O)N1CCSc2ccc(S(=O)(=O)NCc3ccccc3)cc21 6892678 VSSUBDRTOFYIAJ-UHFFFAOYSA-N 362.476 2.624 0 3 FFAF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC[C@@]14C[C@@H](CC[C@@]13C)[C@](O)(CO)C4)OC2=O 2356725107 JAKLTKSIKSMOEM-IALXGRDLSA-N 364.482 2.632 0 1 FFAF O[C@H]1[C@H](N2CCN(CC3CCCC3)CC2)c2ccccc2C12CCNCC2 23128963 KAMXZZRTTAFRFA-YADHBBJMSA-N 369.553 2.531 0 1 FFAF C[C@@H]1CC(=O)[C@]23CO[C@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 13455313 FYLCZEUNDKNEIK-XZJGQVILSA-N 360.406 2.614 0 1 FFAF biogenic N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@]5(CNC(=O)C5)C4)c23)c1 210709891 RRUCJMTTXOEWQO-NRFANRHFSA-N 372.432 2.603 0 1 FFAF CCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82136311 UTDPHCVKNCZFKF-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF N=C1S/C(=C\c2n[nH]nc2-c2ccccc2)C(=O)N1c1nccs1 40423741 IODDZLUKSXBMRI-DVYJFSFQSA-N 354.420 2.984 0 1 FFAF CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)cnc2c1 221719605 SOBPJJCTFHUZHH-UHFFFAOYSA-N 351.410 2.588 0 1 FFAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)[C@H]3C2=O)cc1 25410427 UCYUMKBMYOESES-IAGOWNOFSA-N 355.438 2.601 0 1 FFAF biogenic Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@H]1CC[C@@H](C2)N1 96175223 PDTXNUCBVNUQKF-SWLSCSKDSA-N 371.437 2.894 0 1 FFAF N=C(NCc1ccccc1)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 473147443 FEOPAZNMKOPHEB-UHFFFAOYSA-N 371.872 2.896 0 1 FFAF C[C@](O)(CO)c1cc2c3c(ccc2o1)[C@H]1COc2cc(O)ccc2[C@H]1O3 85730650 JDKOSPKTKADBCU-XMCHAPAWSA-N 354.358 2.948 0 1 FFAF biogenic CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239986 PNJMRIGNAYXOKK-XAEJFWIOSA-N 373.457 2.908 0 1 FFAF CCOC(=O)COc1cccc([C@H]2NCCc3c2c(C(C)C)nn3C)c1 962906546 GRLSBGZORAACRO-HXUWFJFHSA-N 357.454 2.721 0 1 FFAF CC(C)(C)[C@@H](CO)NC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 1772629026 WTXJJUYKIFRSSH-XBNGYDHASA-N 353.422 2.644 0 1 FFAF CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2F)cc1 1772582119 PAIQUSCTDOLKJZ-UHFFFAOYSA-N 364.442 2.701 0 1 FFAF CO/C(=C\C(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O 14712675 XLWNJIRNWLVIGU-YVBICIIGSA-N 372.373 2.590 0 1 FFAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(C)o2)cc1 205373934 NUPPTUJYMAYSLP-QGZVFWFLSA-N 356.378 2.968 0 1 FFAF NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1 205628911 YSNSIIQTSACUTQ-UHFFFAOYSA-N 363.417 2.940 0 1 FFAF Cn1nnc(O)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857765827 DUTHWRGMRSDPEI-UHFFFAOYSA-N 354.210 2.811 0 1 FFAF CC(=S)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1 3916678 IKQLGEAHXBOXKL-JTQLQIEISA-N 352.416 2.606 0 1 FFAF O=C(O)COc1cc(O)c(C(=O)CCc2ccc(Cl)c(O)c2)c(O)c1 6091855 YJHWGAFUEJDPAE-UHFFFAOYSA-N 366.753 2.736 0 1 FFAF CC(C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F 104005089 YXBCXXZPPSTQHS-JQWIXIFHSA-N 358.389 2.751 0 3 FFAF COc1cc2nc3c(c(N)c2cc1OC)C[C@@H](CNC(=O)c1ccoc1)C3 103218941 MXFRFAKAWOQMMJ-LLVKDONJSA-N 367.405 2.572 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)n1 2356302011 JWGGMYDKQVPHQG-RHSMWYFYSA-N 374.391 2.845 0 1 FFAF Nc1nc(-c2cccs2)c2ncn(C(=O)NCc3ccccc3)c2n1 29047611 DOKVRWZEPDBWPE-UHFFFAOYSA-N 350.407 2.895 0 1 FFAF O=C(NCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 29229867 YZDWVMJXMVQMKL-LJQANCHMSA-N 372.490 2.687 0 1 FFAF CC=C1CN2CC[C@@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1c(OC)cccc14 2356662536 VEAKGMSEYPLAQM-QSZISKGPSA-N 352.434 2.840 0 1 FFAF CC[C@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 73403689 LUPCHAFIKZSOOK-ZOWXZIJZSA-N 373.482 2.565 0 1 FFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 45498164 JCLIKRXALDKJJT-FUIJVIPGSA-N 372.339 2.966 0 1 FFAF CCCCN1C(=O)CN(CC2CCNCC2)C(=O)c2cc(Cl)ccc21 95563922 OAOPLKILEPLEGT-UHFFFAOYSA-N 363.889 2.929 0 1 FFAF O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377602858 YUOOYQDBXTWPKL-UHFFFAOYSA-O 361.790 2.802 0 1 FFAF CC(C)c1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccn12 653805027 URQWYRTVALYSKP-UHFFFAOYSA-N 370.497 2.831 0 1 FFAF C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586888878 DGGYTIGTRQOQBK-SNVBAGLBSA-N 365.842 2.940 0 1 FFAF COc1cc2nc(C(=O)c3coc4ccccc34)c(=O)n(C)c2cc1OC 587280885 GNTKBHHPEKCBEU-UHFFFAOYSA-N 364.357 2.928 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]31)CC2=O 587482833 JRUOTIYWJRAOKE-FJWTZYOLSA-N 359.422 2.521 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(CC3CC(N)C3)nc2c1 587255255 KOUANEJKNLDFID-UHFFFAOYSA-N 352.232 2.782 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H]3CCOC3=O)c1)O2 587411762 KCKPAZYZTNKIQL-ROUUACIJSA-N 353.374 2.978 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)Oc2c1ccc1c2CCCC1 587524914 MKYRAGUWYNXNEZ-USOFNBIVSA-N 355.434 2.742 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCN(C)C1=O)[C@@H](C2)C3=O 587435009 CTKKJQJZTNTJQJ-PNLZDCPESA-N 363.413 2.816 0 1 FFAF Cc1cc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)no1 962643038 RXGNRFJQDBPMBH-SWLSCSKDSA-N 356.300 2.744 0 1 FFAF CCOC[C@H]1COc2cc3[nH]cc(C(=O)OCC)c(=O)c3c(Cl)c2O1 169345496 PBVICYKWRNWPMZ-VIFPVBQESA-N 367.785 2.535 0 1 FFAF COc1ccc(OC)c([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726074 LNBNGWSJRBOHKT-DOTOQJQBSA-N 352.415 2.935 0 1 FFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)o1 1857752315 LNRCEIGFRQRQSK-INIZCTEOSA-N 367.405 2.893 0 1 FFAF CC[C@@H](C)N(CCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccco1 6841819 CXSNJFPEMZTYOC-CQSZACIVSA-N 369.425 2.755 0 1 FFAF NS(=O)(=O)c1cccc(NCc2cc(=O)oc3cc(Cl)ccc23)c1 27743038 FALDRASOKSODBF-UHFFFAOYSA-N 364.810 2.706 0 1 FFAF C[C@@H]1[C@H](O)c2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@H]1C)OCO3 2356454849 ZINGKVZTZNKXIN-YRZAQOLJSA-N 356.374 2.699 0 1 FFAF Fc1ccc2nc(CO[C@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356468341 XWXMYXHJEPKFQH-FZMZJTMJSA-N 350.394 2.898 0 1 FFAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3ccccc23)C(=O)N1 14585617 ZPYSWVAWFDJYIM-ROUUACIJSA-N 359.385 2.907 0 1 FFAF biogenic CO[C@H](CO)CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 85510774 IORUILAZBKZNSR-ANULTFPQSA-N 362.510 2.883 0 1 FFAF biogenic,in-vitro CC(C)(C)NC[C@H](O)COc1ccc(/C=C/CO)cc1Br 40465871 QRUKZUGKPVCVEB-IHVVCDCBSA-N 358.276 2.582 0 1 FFAF O=C1OCC2=C1[C@@]1(C(=O)Nc3ccccc31)c1c(-c3ccccc3)n[nH]c1N2 299869075 TYOPFCFKDHACCI-OAQYLSRUSA-N 370.368 2.551 0 1 FFAF CCN1CC[C@@]2(CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765793 DKHNAGHOQFQHHV-QFYYESIMSA-N 355.251 2.960 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccc1F)O2 587385136 MDLWOCDUAVNYER-GOSISDBHSA-N 363.410 2.622 0 1 FFAF C[C@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589502 XFKTZDICACTGQK-YLJYHZDGSA-N 374.356 2.707 0 1 FFAF Cc1cc2c(cc1O)[C@](C)(CCc1ccc(O)c(F)c1)N[C@H](C(=O)O)C2 963510981 RLSDRWTYPDLCDG-JXFKEZNVSA-N 359.397 2.992 0 1 FFAF COc1ccc2c(c1OC)[C@@](C)(C1=C(C)N=C3N=NNN3C1)N(C)[C@H](C)C2 962616574 AGSGXQLRUKDURV-NSPYISDASA-N 370.457 2.626 0 1 FFAF C[C@@H](CO)COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772597054 BMBZUHFAJZIXEC-QWHCGFSZSA-N 369.425 2.848 0 1 FFAF Cc1nonc1CC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11715675 YOQLRTSRBGYKDZ-AWEZNQCLSA-N 373.363 2.578 0 3 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)[C@H]1CN1CCCC1 13449281 PMJJKBYEMSFUBW-IAGOWNOFSA-N 371.308 2.984 0 1 FFAF Cc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706999 ZWMJNOOOBYBQKY-MRXNPFEDSA-N 360.417 2.922 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc([C@@H](C)O)cc23)c1 3654261 XEDWCUZOQPGNSX-GFCCVEGCSA-N 372.446 2.770 0 1 FFAF CCS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 101400109 GTDDIUJHWPRGSU-MBOZVWFJSA-N 372.442 2.983 0 1 FFAF O=C([C@H]1C[C@H]1c1ccc(-c2cncnc2)cc1)N1CCN(C2CCC2)CC1 113838713 LBBNKTXKCLISAN-SFTDATJTSA-N 362.477 2.944 0 1 FFAF COc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1 28523198 XFKONSBVAKEWBP-WOJBJXKFSA-N 366.465 2.917 0 1 FFAF Cc1nc2c(CC(F)F)c(Cn3ccnc3-c3ncccc3F)ncn2n1 34554548 CDFFJLUXSUAEDN-UHFFFAOYSA-N 373.342 2.686 0 1 FFAF O=C1c2cccnc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1 72124614 VKLYGAIACWRNRD-UHFFFAOYSA-N 356.385 2.895 0 1 FFAF Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3cccs3)CC1)C2 49073114 RAGSKQFVYVAEMF-QZTJIDSGSA-N 356.491 2.753 0 1 FFAF Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12 82158085 MTHYDGIDFZWZRZ-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF Cc1ccccc1B(OC(=O)c1ncccc1O)c1cccc(Cl)c1 195227042 ZSBALYBYQMKCNJ-UHFFFAOYSA-N 351.598 2.712 0 1 FFAF C=CC(=O)Nc1ccc(C[C@H](NCOCc2ccccc2)C(=O)O)cc1 95559857 YTYSTYWHKYYHFG-SFHVURJKSA-N 354.406 2.571 0 1 FFAF CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C(C)C)cc12 299872082 ZXGTVMAAMPCTLC-UHFFFAOYSA-N 371.372 2.975 0 1 FFAF O[C@@H](CCN1CCN(C(=S)NCc2ccccc2)CC1)c1ccccc1 473135526 JEKRLUSSERXLPN-FQEVSTJZSA-N 369.534 2.802 0 1 FFAF CO[C@H](C)COC1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 587950271 AKDVFUGMWIVRNQ-DNOWBOINSA-N 356.430 2.616 0 1 FFAF COC(=O)c1ccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2n1 587925336 MIFNFBLPSQRVNE-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF COC(=O)c1cc2[nH]c(-c3cccc(NC(N)=O)c3C)nc2cc1OC 587238016 AASMZAOJERPMLK-UHFFFAOYSA-N 354.366 2.824 0 1 FFAF COc1cccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521153 AVFIESDUBFLPBF-NRFANRHFSA-N 354.402 2.745 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 587872436 MIDUWALNJLYBHD-AWEZNQCLSA-N 369.400 2.891 0 1 FFAF N[C@@H]1C[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccc(F)cc21 963230127 LNIKKEWZMMOMBZ-LMNJBCLMSA-N 363.392 2.620 0 1 FFAF C[C@@]1(c2cc(CN3CCOCC3)cs2)NCCc2c(C(=O)O)cccc21 963124418 QKKGOPVYZUIKKP-HXUWFJFHSA-N 372.490 2.688 0 1 FFAF COc1ccc(CNC(=O)CSc2cc(=O)n(C)c3ccccc23)cc1 5008121 SZPRXAXRXPFWEE-UHFFFAOYSA-N 368.458 2.956 0 3 FFAF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cc3ccccc3oc2=O)[C@@H]1C 5505530 WSVVUIVVZULWBQ-ZENOOKHLSA-N 357.406 2.891 0 1 FFAF Nc1nc2ccc(N(C=O)Cc3ccc(Cl)c(Cl)c3)cc2c(=O)[nH]1 13559914 TUJVBDWDKRYGEB-UHFFFAOYSA-N 363.204 2.975 0 1 FFAF COc1ccc(CCNCCOc2cc(F)cc3c2OCC[C@H]3O)cc1 13780392 CGLIIBDLSLHMID-GOSISDBHSA-N 361.413 2.861 0 1 FFAF NC(=O)[C@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 169365297 CNBKXUUHTVVJEP-DUFXMDAXSA-N 362.904 2.504 0 1 FFAF COc1ccc(Cc2cn(CCNC(=O)Nc3ccccc3)nn2)cc1 1857618254 AWVLDVHVQPQFTI-UHFFFAOYSA-N 351.410 2.699 0 1 FFAF COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccccc1 1857633988 BQGQNHDGVJEHRZ-GFCCVEGCSA-N 366.414 2.926 0 1 FFAF COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1 604740 WLRGRIASWLNOKV-UHFFFAOYSA-N 369.490 2.963 0 1 FFAF COc1cc2c(cc1O)CCN(C(=O)[C@@H]1COc3ccccc3O1)[C@H]2C 3894637 VCQCNRVHNYNRHN-BUXKBTBVSA-N 355.390 2.687 0 1 FFAF Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 4919593 BORIRVXEUZZYNK-INIZCTEOSA-N 373.478 2.738 0 3 FFAF CCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231533 RTMMCCSLSGGTDP-ZCFIWIBFSA-N 370.981 2.806 0 1 FFAF Oc1cccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)c1 64559943 VHDXNUVVKQEEAQ-UHFFFAOYSA-N 363.421 2.693 0 1 FFAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@H](O)CCO)CC[C@H]12 2356773687 GNPDLQDXTKVGFC-IVECGHKRSA-N 352.515 2.642 0 1 FFAF O=c1[nH]c([C@@H]2C[C@@H](F)CN2)nc2c1oc1ccc(Br)cc12 84652665 SCHVVSMHPGRYLE-APPZFPTMSA-N 352.163 2.804 0 1 FFAF Oc1cc2c(cc1[C@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 85953956 KQRXQIPRDKVZPW-YGKPWHIYSA-N 370.357 2.925 0 1 FFAF in-man C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)nc2O)N1 587775258 QFVGIWSBJQIHLF-MLXNANBUSA-N 368.206 2.587 0 1 FFAF CCn1nccc1[C@@]1(/C=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429874 BKXMUSXOMORPDL-PEUFOBNJSA-N 353.422 2.630 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N(C)C)O2 587387873 UBGXLQYUTXMUAW-SFHVURJKSA-N 354.406 2.751 0 1 FFAF COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1F 586951611 RESDLBOQZRQLEY-UHFFFAOYSA-N 356.404 2.514 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587142167 LWYAPEWCEDUGHC-UHFFFAOYSA-N 363.267 2.573 0 1 FFAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC 587650822 UPRKPHFYETYJPZ-RVDMUPIBSA-N 364.467 2.599 0 1 FFAF COC(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228636 VLNHIBNTQBFOMG-UHFFFAOYSA-N 353.378 2.818 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1 587564144 ZRAJQBHAEQWNLQ-CQSZACIVSA-N 371.418 2.596 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCNC3=O)c1)O2 587400691 REZHKTVOEIEAFU-FQEVSTJZSA-N 351.406 2.987 0 1 FFAF N[C@@H](c1ccsc1)c1nc2cc(I)cnc2[nH]1 587025237 JSAWJECBSSYARG-VIFPVBQESA-N 356.192 2.672 0 1 FFAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)c1c(Cl)ccc2c1CCN3[C@H]2C(=O)O 962578328 XZFNCIRZEDRTLE-MSVIFXHTSA-N 361.825 2.752 0 1 FFAF COc1ccc(C[C@]23CCC(=O)N2CCc2cc(OC)c(O)cc23)cc1O 5882753 GWKQLHJGOTWSOD-NRFANRHFSA-N 369.417 2.732 0 1 FFAF O=C1CSCN1CCCCN1CCN(c2ccc3ccccc3n2)CC1 13759445 YQHZHOKPYRZPNU-UHFFFAOYSA-N 370.522 2.670 0 1 FFAF CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(N[C@@H](C)C(C)(C)O)n1 13986051 YNWBILCXFSCIJW-ZDUSSCGKSA-N 373.457 2.924 0 1 FFAF O=C(Nc1ccc(N2CCOCC2)cc1)n1sc2ccccc2c1=O 169311121 QZFUTELGYWUBNF-UHFFFAOYSA-N 355.419 2.980 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1COC3 113154813 PYLOUDRBBDQDTO-LLVKDONJSA-N 358.369 2.673 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@H](O)C=Cc1ccc(O)cc1)[C@@H](O)CC2 2356432715 KAYRJPGARKNUEX-LVCYWYKZSA-N 356.418 2.874 0 1 FFAF COc1ccc(C(=O)[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1OC 101323981 KRKPKRZYAMBZCV-CQSZACIVSA-N 356.374 2.959 0 1 FFAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114345215 LAJUPICIRDRINN-OAHLLOKOSA-N 355.829 2.755 0 1 FFAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccccn1 26575117 YDMQQVWBOQYJTA-OAHLLOKOSA-N 354.435 2.634 0 1 FFAF COc1ccc(N2C(=O)C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 66058781 HLADNFOZBQSLIV-ZDUSSCGKSA-N 359.378 2.905 0 1 FFAF CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 2356546553 NFUNVPXUVUEVKF-HRAATJIYSA-N 352.434 2.964 0 1 FFAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)CC[C@H]3C)c2)nc1 113543317 BKOCCWXGXVWBFA-LSDHHAIUSA-N 367.449 2.683 0 1 FFAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)CNc1ccccc1)CC2 72108799 DKMGQTRCRUANGA-QKKBWIMNSA-N 355.434 2.734 0 1 FFAF O=C(CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O)c1ccccc1 40402306 ICNVEPWJOAKEMN-RRFJBIMHSA-N 372.812 2.791 0 1 FFAF CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82213055 RDEWLPTYTZCCFK-HNNXBMFYSA-N 371.485 2.506 0 1 FFAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCC(C)C)c2cc1OC 82127676 PAJZPCQWACPJGO-AWEZNQCLSA-N 374.485 2.924 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@H]2CS1 146153065 ITDPHYUDGLCWQU-VAHXTSCQSA-N 351.378 2.987 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@H]3C[C@@H]3C2)cc1F 261084218 CGZVQSPAVOGIDV-STQMWFEESA-N 367.442 2.817 0 1 FFAF O=C(O)COc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1F 473087662 LJAFNGBRXBPFAQ-UHFFFAOYSA-N 366.732 2.520 0 1 FFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C(=O)OC)ccnc2[nH]1 586964132 VQEOGICERYUDAE-JTQLQIEISA-N 359.411 2.792 0 1 FFAF Cc1ccc(-c2nnc(SCc3nc4c(N)ccnc4[nH]3)n2C)cc1 586965383 KBKCAYMPPOTSMW-UHFFFAOYSA-N 351.439 2.936 0 1 FFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)ncc2[nH]1 587037957 BIFSEJULTULUHV-UHFFFAOYSA-N 353.795 2.872 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527827 UYVGROOBWJZNHS-AWEZNQCLSA-N 356.378 2.877 0 1 FFAF COC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793251 NBFYYYKWIBXVML-BJOHPYRUSA-N 360.223 2.527 0 1 FFAF Cc1ccc([C@@]2(c3ncc[nH]3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963492472 RCEHFMUGUNMPCZ-LAUBAEHRSA-N 363.417 2.623 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 13819461 HMIWADKNFBSLBZ-AWEZNQCLSA-N 370.457 2.908 0 1 FFAF C[C@@H]1CCCN1C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168539752 QWUPCDKDSHOSGP-CQSZACIVSA-N 351.450 2.864 0 1 FFAF COc1cc(-c2cnc3c(N4CCC(N)CC4)snc3c2)ccc1N 1857636052 NCJJYAXBBUVFES-UHFFFAOYSA-N 355.467 2.877 0 1 FFAF COc1ccc(-c2cc3ccc(N4CCNCC4)cc3c(=O)o2)cc1OC 205424790 YLMGJLMUAAUMNC-UHFFFAOYSA-N 366.417 2.887 0 1 FFAF O=C1c2cc(Br)ccc2O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1O 8681951 OFXFLYMEGZWBEJ-CVEARBPZSA-N 363.163 2.855 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 33895559 NRDFDFBBHZSEKP-BLLLJJGKSA-N 351.878 2.925 0 1 FFAF O=C(NCC1CC1)c1csc(N2CCN(Cc3ccccc3)C2=O)n1 74380049 ADASCNJLOWLTBD-UHFFFAOYSA-N 356.451 2.725 0 3 FFAF COc1ccc2c(c1CC(=O)C(C)C)O[C@@H]1c3ccc(O)cc3OC[C@@]21O 15203505 AFOCANOUHLXZSA-NHCUHLMSSA-N 370.401 2.882 0 1 FFAF biogenic CC/C=C\CCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094942 PKPXVGIKUXUYEF-YHLLGKTKSA-O 358.499 2.747 0 1 FFAF in-vitro COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@@H]3CO)ccc1O 254076696 KBWKVVULAPXWFJ-WZBLMQSHSA-N 358.390 2.557 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cccc(C(N)=O)c2[nH]1)C[C@H]1CCCO1 587198164 ZUEVTEOZDQFCPP-GFCCVEGCSA-N 374.441 2.578 0 1 FFAF C=C(C(=O)O)c1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O 587939514 BWDUEASPGCFGRY-UHFFFAOYSA-N 367.741 2.737 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1O)O2 587402163 ZCHNHWYYTGICLC-IBGZPJMESA-N 354.406 2.826 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)ccnc2[nH]1 586965077 JEJJJBDBIMGDIC-UHFFFAOYSA-N 368.470 2.723 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCNC2=O)N1 587791056 DZFFQVQDPGYKMQ-RBIVETJNSA-N 355.251 2.864 0 1 FFAF Cn1ncnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584313 ZPZXBEHVJCAGLD-UZLBHIALSA-N 363.373 2.788 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586930007 LBTIQTGEDUROPX-UHFFFAOYSA-N 371.249 2.697 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@H]2CCO)N1 587763432 ZANMLVVHALFVOT-NDGTYSDOSA-N 371.294 2.652 0 1 FFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 587398137 CIFJEFXLJIJFSD-BYNIBCHQSA-N 372.465 2.623 0 1 FFAF CCOC(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 587230116 FKPJOTJFDWTZKO-GJZGRUSLSA-N 373.453 2.776 0 1 FFAF CC[C@]1(CC(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924884 XJLKRTHRNVUBON-FXAWDEMLSA-N 371.389 2.863 0 1 FFAF CCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358358 VSIIJDWZRDMFSE-SFHVURJKSA-N 355.390 2.897 0 1 FFAF CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1ccc(OC)c(OC)c1 169303480 DWMAYQMTCVBGKX-IBGZPJMESA-N 373.457 2.528 0 3 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1CN1Cc1ccnc2ccccc12 169328812 GVKFUXHFCRZTDK-PMOHQLOOSA-N 361.232 2.983 0 1 FFAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@@]1(C)[C@H](C)CC[C@H](O)[C@]1(O)C2=O 209457747 PEWPCEZVXROTHG-GCFFFVSOSA-N 350.411 2.553 0 1 FFAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NCc3ccco3)sc2n1 753838 WHYZXJKYQYQTNX-UHFFFAOYSA-N 372.450 2.668 0 1 FFAF COc1ccc([C@@H](c2ccccc2)N2C(=O)CC[C@@H]2C(=O)O)cc1OC 1645048 AAAGUOJHUURVQP-DNVCBOLYSA-N 355.390 2.869 0 1 FFAF CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccco3)CC2)[C@H]1O 20515335 CMOSKDJBPAKXPY-RTWAWAEBSA-N 368.477 2.750 0 1 FFAF Cc1cc(-n2cccn2)ccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 20917368 KCTWTNRFYVJENE-QFIPXVFZSA-N 368.525 2.992 0 3 FFAF C[C@@H](CCn1c(=O)oc2ncccc21)N1CCN(c2ccc(F)cc2)CC1 28263849 JBLLITFWSLLWJG-HNNXBMFYSA-N 370.428 2.729 0 1 FFAF CC(=O)O[C@H](CNC(=N)C(Cl)(Cl)Cl)COc1ccccc1 39238921 JPAMJJFPLQHCKA-LLVKDONJSA-N 353.633 2.934 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](C)CN2 82211561 DMOALRWADAJUGA-AWEZNQCLSA-N 356.470 2.893 0 1 FFAF CCCC(=O)Nc1cccc([C@@]2(C3CCCCC3)N=C(N)N(C)C2=O)c1 45349086 AQMDTMDYMXRAFN-HXUWFJFHSA-N 356.470 2.988 0 1 FFAF CCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CC[C@H]2C(N)=O)n1 230563867 JJSPOZHKIUUQOQ-HNNXBMFYSA-N 369.473 2.617 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)O[C@@]3(CO)CC[C@H]12 473123125 KRFXWKURJSADKH-NGZXWKFYSA-N 350.455 2.551 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)([C@@H](C)O)CC2=O 587477533 CVKGJTIUTYTLKG-BLVKFPJESA-N 350.411 2.773 0 1 FFAF O=S(=O)(/C=C/c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 586923966 BYEIRNLDWSEZEN-VOTSOKGWSA-N 354.313 2.768 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 587108325 ZPLQIQDQWAXUFZ-ZMEUYYBSSA-N 356.381 2.759 0 1 FFAF Oc1ncnc2[nH]c(-c3cc(I)ccc3Cl)nc12 587181992 BDWOFBRRUNBVBB-UHFFFAOYSA-N 372.553 2.984 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587423119 UKKYIOWRUCNQOZ-ORAYPTAESA-N 355.777 2.968 0 1 FFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2N1 587123267 HHTDMEOGQFTBDD-MADCSZMMSA-N 364.331 2.833 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 586951349 XHSXCBSYMIAGFZ-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF CC1(C)CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347258 OVDUDZZUYOTIGK-JXFKEZNVSA-N 355.365 2.785 0 1 FFAF CCN1CC[C@@]2(CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 587765790 DKHNAGHOQFQHHV-HWPZZCPQSA-N 355.251 2.960 0 1 FFAF COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@@H]1[C@@H](O)[C@H](O)[C@H]1C(C)(C)CCC[C@]12C 685935539 MTERRCUWEHAXPL-OMXLHMSISA-N 362.466 2.893 0 1 FFAF biogenic,in-vitro COc1cc2c(cc1OC)C1(CCC(CO)CC1)NCC21CCOCC1 963186013 FKXRCBDZYUCVAY-UHFFFAOYSA-N 361.482 2.733 0 1 FFAF COc1cccc(CN2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCO)c1OC 1772602688 SORXBZKPEHDBIZ-SFFNPBHPSA-N 374.525 2.761 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(=O)oc2ccc(Cl)cc12 1772654633 DBEYRDKEHHYVBA-OAHLLOKOSA-N 362.769 2.637 0 1 FFAF Cn1ncc2c(NC[C@H]3CCOC3)nc(Nc3ccc(F)c(F)c3)nc21 1772617155 XXEISYGJHDRPHF-SNVBAGLBSA-N 360.368 2.834 0 1 FFAF CC(C)COc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454234 UTEHYSMMPLIZDF-MQVJKMGUSA-N 359.470 2.786 0 1 FFAF C[C@@]1(CC(=O)O)c2ccc(OC(F)(F)F)cc2-c2nc(O)c(O)nc21 13558312 OVTYRSXQQLOYOY-CQSZACIVSA-N 356.256 2.548 0 1 FFAF Cc1nc2c(s1)CN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)CC2 14948990 BOOKRVRRHIOXGW-CYBMUJFWSA-N 351.422 2.575 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169294918 FDKJSJGIAQCACZ-OXAWTZHMSA-N 365.429 2.652 0 1 FFAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)c(F)c3)c12 169697359 FMIJJAJGMMBUFY-UHFFFAOYSA-N 367.388 2.690 0 1 FFAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2c1NON2 169729110 SUTDNAJEGAQKHN-ZBFHGGJFSA-N 373.409 2.944 0 1 FFAF CC(C)[C@H](CO)NCc1nc(-c2cccc(N3CCOCC3)c2)ccc1F 204419879 FZRONQZVSRQTTI-NRFANRHFSA-N 373.472 2.831 0 1 FFAF CC(=O)Nc1cccc(-c2cnn3ccc(=NCc4ccncc4)[nH]c23)c1 1857555019 KJOWMKUPLOFPOA-UHFFFAOYSA-N 358.405 2.784 0 1 FFAF CCOC(=O)c1cccc(CSCc2ccc(S(N)(=O)=O)cc2)c1 1857768579 SAEUHSXLKFQOQY-UHFFFAOYSA-N 365.476 2.944 0 1 FFAF COc1ccccc1N1C(=O)[C@@H](C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C 4003434 IBBLLPWOXOMSSW-OTWHNJEPSA-N 351.406 2.504 0 1 FFAF COc1ccccc1N(C)C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O 100818823 VSAGAWJUWFHDFA-UHFFFAOYSA-N 368.389 2.538 0 1 FFAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356314254 VHYUGQIWISVBRT-ATLUHFAJSA-N 350.499 2.681 0 1 FFAF Cn1c(=O)c(Cc2ccccc2F)cc2cnc(NC3CCOCC3)nc21 71715457 MEQQGUQIYFTMKE-UHFFFAOYSA-N 368.412 2.649 0 1 FFAF CCCCN(C)c1c(C)nc2ccc(C(=O)N(CC)CCN(C)C)cn12 61928003 WGEIOFBJNQTXPS-UHFFFAOYSA-N 359.518 2.903 0 3 FFAF O=C(O)c1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 35289543 PWSYMJGFKXXCGV-UHFFFAOYSA-N 369.358 2.884 0 1 FFAF COCCN1C(=O)COCc2ccc(-c3ccc(OC)c(OC)c3)cc21 74375257 RTXXDNCWDYUXPF-UHFFFAOYSA-N 357.406 2.880 0 3 FFAF CN=c1nc2c(c[nH]1)c(-c1ccc3oc(=N)[nH]c3c1)nn2CC1CCCC1 1911576915 FISFNPZVHXHFGT-UHFFFAOYSA-N 363.425 2.701 0 1 FFAF COc1cc(CC[C@H](C[C@@H](O)CCC[C@H](C)O)OC(C)=O)ccc1O 85628506 IHVRRERKANCGKN-RRQGHBQHSA-N 354.443 2.567 0 1 FFAF biogenic,in-vitro O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 96916342 VQOKWGNGONANPR-JTQLQIEISA-N 351.384 2.629 0 1 FFAF C[C@@H]1CN(C)C(=O)c2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95660948 CXEKBWSCCPFRDF-WBMJQRKESA-N 363.458 2.605 0 1 FFAF CN1CC(N)=N[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1 96929118 YDTKBAVBHFZIQT-GOSISDBHSA-N 357.845 2.505 0 1 FFAF C[C@@H]1CC(=O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 34287963 WZRICMNGPGNPSX-LNLJIPNUSA-N 358.390 2.822 0 1 FFAF biogenic C[C@H]1C(=O)[C@]2(C=CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587763390 YHYWLFHMBSOSRO-KCWFYHRYSA-N 353.235 2.734 0 1 FFAF Oc1ccc(C2(c3nc4c(S)nc(S)nc4[nH]3)CCOCC2)cc1 586913799 OWFZYPSVXPPNPU-UHFFFAOYSA-N 360.464 2.732 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1C(=O)O)[C@@H](C2)C3=O 587440856 BMBBGYUUZXALIF-ORAYPTAESA-N 370.357 2.899 0 1 FFAF CCN=c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587739348 ASHVNPRMGDCDQD-RFAUZJTJSA-N 365.250 2.856 0 1 FFAF Cc1c(F)ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587202639 KFQISPXKNNIMRM-OAHLLOKOSA-N 371.368 2.933 0 1 FFAF COc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 587132279 OZTMHQTXUXGGBR-VIFPVBQESA-N 354.357 2.936 0 1 FFAF O=S(=O)(NCCc1nc2cccc(Cl)c2[nH]1)c1ccc(Cl)nc1 586942192 HXXOFOKMGJJOEZ-UHFFFAOYSA-N 371.249 2.786 0 1 FFAF O=C1C[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 587524711 LMNWZWCOSMGQEE-ILLDPMRGSA-N 355.434 2.742 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccco4)CC1)[C@@H](C2)C3=O 587437991 MQIWOFABXXHJMP-AWEZNQCLSA-N 353.374 2.711 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175179 QORRPIFNMPTSNH-AWEZNQCLSA-N 372.425 2.829 0 1 FFAF COC(=O)[C@]1(CC(=O)c2cccc(C)c2)c2ccsc2CCN1C(N)=O 962715433 RTNBHIZYOVYMSH-IBGZPJMESA-N 372.446 2.635 0 1 FFAF CC(C)(CN1CCCC1)[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232586 OPTKDQSIADUZIO-RTBURBONSA-N 353.466 2.997 0 1 FFAF CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCC2)cc1 13560502 DTBWYXZLDWSEQU-UHFFFAOYSA-N 365.411 2.777 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049518 KGMZEZVYHCEUSU-RDJZCZTQSA-N 362.788 2.679 0 1 FFAF Cc1cccc2c1nc1n2[C@H](CNC(=O)c2ccc3c(c2)OCO3)COC1 2356300810 YEVXQRGYVPAWLO-CQSZACIVSA-N 365.389 2.575 0 1 FFAF COc1ccc([C@@H](CNCCc2ccc(F)cc2)N2CCN(C)CC2)cc1 28523241 FWIVRAQPMXHCNZ-JOCHJYFZSA-N 371.500 2.955 0 1 FFAF COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3N=C(S)N=C(N)[C@@H]32)cc1 64454226 RAZRZXQECDYJLN-ZOBUZTSGSA-N 355.419 2.524 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1[C@@H]1OCc2c1ccc1c2OCO1)OCO3 2356461960 AACMFFIUYXGCOC-AZUAARDMSA-N 353.374 2.945 0 1 FFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CCOC1 1911586598 QEIMXUWKXDSLNV-VIFPVBQESA-N 366.303 2.576 0 1 FFAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)n21 82210766 XMOKYNRHXXBECV-OAHLLOKOSA-N 362.433 2.657 0 1 FFAF CC1=CCC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2 238750624 YIBWIRUWDREGPY-QRKXOJNNSA-N 368.514 2.772 0 1 FFAF CN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cccnc4F)cc32)N=C1N 95602933 QOSNPHUJYRNMGO-HXUWFJFHSA-N 352.413 2.842 0 1 FFAF CCN(CCO)[C@@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@H](C)[C@@H]1O 96941841 IZOARWHJKXCMQB-HBGVWJBISA-N 368.477 2.760 0 1 FFAF CCCCCCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5 473112040 CJWHPXAQKRXKBC-UPZYVNNASA-N 371.477 2.696 0 1 FFAF O=C1CCN(c2ccccc2C(=O)NCCc2ccc(Cl)cc2)C(=O)N1 473112292 DITDXEHAIUQRTK-UHFFFAOYSA-N 371.824 2.759 0 1 FFAF O=S(=O)(Cc1ccccc1-c1nc2c(O)ncnc2[nH]1)c1ccccc1 586921134 CTJWGOWPXBLJDL-UHFFFAOYSA-N 366.402 2.699 0 1 FFAF COc1cc2c(cc1Br)Cc1cc3c(O)nc(O)nc3nc1-2 587367504 XCOSUBNTXGOQJS-UHFFFAOYSA-N 360.167 2.778 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 586948623 PSDJYSJMBNSQII-UHFFFAOYSA-N 351.819 2.823 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cnn[nH]1)[C@@H](C2)C3=O 587426201 AJWUTQCCYQOQFO-IFXJQAMLSA-N 351.337 2.644 0 1 FFAF CC1(C)OC(=O)C(c2nc3cc(Br)cc(Cl)c3[nH]2)=C1N 587255374 MJAGYVPFZIWFMK-UHFFFAOYSA-N 356.607 2.984 0 1 FFAF CCOC(=O)C[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793904 OFVQTNHFCYUZAJ-QFYYESIMSA-N 374.250 2.917 0 1 FFAF C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580262 BHXAWGJSZZUHHI-ADYAMRHXSA-N 351.358 2.509 0 1 FFAF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1OCc1ccccc1 13110446 CCDVHOPGVALFAG-UHFFFAOYSA-N 356.330 2.960 0 3 FFAF biogenic O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](O)[C@H]1CN1CCCC1 13449284 PMJJKBYEMSFUBW-SJORKVTESA-N 371.308 2.984 0 1 FFAF NS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(F)cc2)cc1 13525270 YLVLFSASFDTMCP-UHFFFAOYSA-N 351.790 2.979 0 1 FFAF O=S(=O)(c1ccccc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 15064831 CFXFVFGDNABECP-UHFFFAOYSA-N 357.410 2.963 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 15209462 QKXSRJAHTPTJNG-SNDSVULGSA-N 368.514 2.916 0 1 FFAF endogenous,in-man c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@@H]2[C@@H]2NN=N[C@@H]32)cc1 17210251 USZKXDLHMKNUDS-FCGDIQPGSA-N 351.406 2.995 0 1 FFAF CC1CCN(C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1857544819 DMVCPCNCLZHJGJ-UHFFFAOYSA-N 357.907 2.620 0 1 FFAF Cc1ccc2c(N)c(C(=O)NCCc3cccc(CC(=O)O)c3)sc2n1 1857602224 LVHVBTMJNRAYSH-UHFFFAOYSA-N 369.446 2.787 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@H]1C[N@]1Cc1ccnc2ccccc12 1857742831 GVKFUXHFCRZTDK-IPQOISQHSA-N 361.232 2.983 0 1 FFAF COc1cc(C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC 26648617 PXFYASVHUGOLGY-UHFFFAOYSA-N 362.378 2.969 0 1 FFAF O=C(O)c1ccc(CN2CCN3C(=O)N(C4CCCCC4)C[C@@H]3C2)cc1 2356301175 RSCZEIFEMGHQBO-SFHVURJKSA-N 357.454 2.639 0 1 FFAF O=C1CSc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2N1 6892685 DGTATGUJXICUHG-UHFFFAOYSA-N 368.867 2.863 0 3 FFAF COc1cc(C[C@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 59207125 MHXCIKYXNYCMHY-AVYPCKFXSA-N 360.406 2.654 0 1 FFAF O=C1NC(/C=C/c2ccc(O)cc2)=C(C(=O)O)[C@H](c2ccc(O)cc2)N1 103187819 HXSOWEPFHYEQIB-QYSIDVQXSA-N 352.346 2.504 0 1 FFAF CCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215053 MWUVJWIHDRHCFX-GXTWGEPZSA-N 354.838 2.995 0 1 FFAF C[C@@H]1[C@H]2C[C@@]34CO[C@H](O2)[C@@]1(C[C@H](O)c1ccoc1)[C@@H]3CCC=C4C(=O)O 2356437968 NQGDTWVXUYEVGZ-QXZWWCQJSA-N 360.406 2.892 0 1 FFAF C[C@@H]1CC[C@H]([C@H](C)CC[C@@H](O)[C@](C)(O)CO)c2cc(C(=O)O)cc(O)c21 2356849252 PUHUHJOKQKBQHX-QRMFCHOXSA-N 366.454 2.592 0 1 FFAF O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(CCCc2ccccc2)C1 15674205 WRFZJUVYJHEHFS-AEFFLSMTSA-N 350.422 2.872 0 1 FFAF biogenic CN1C(=N)N[C@@](c2ccncc2)(c2cccc(-c3cccnc3F)c2)C1=O 49067891 CMYIUDXGRYVNQW-FQEVSTJZSA-N 361.380 2.523 0 1 FFAF CCOC(=O)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231672 WXMNQPBCNFYGKD-BBRMVZONSA-N 370.453 2.583 0 1 FFAF CC[C@H]1C[C@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 238775740 PEBWIYPIKTWOBT-XFFQHTBTSA-N 354.450 2.644 0 1 FFAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H]1CO 95877474 MIIHJTNNRHDOHS-MAZHCROVSA-N 365.271 2.559 0 1 FFAF O=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95798358 VZZQLBIEWDIUMC-RCBQFDQVSA-N 365.271 2.925 0 1 FFAF CN(C)[C@H](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cn(C)c2ccccc12 253966765 NSLSUEQHSJDZJE-GPMSIDNRSA-N 351.450 2.732 0 3 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cnc2[nH]1 586961277 GYDLIYSJLJUOOU-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF COc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(Cl)c1OCC(C)C 587046643 ZMUYJROWFPNJNY-UHFFFAOYSA-N 363.805 2.835 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587426294 BXLQLEKBJHHBTP-LIRRHRJNSA-N 351.337 2.904 0 1 FFAF C[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)N(C)C 587190662 JEMWSDNIFCLVPP-LURJTMIESA-N 364.618 2.709 0 1 FFAF O=C1COc2cc3[nH]c(-c4cc(F)nc(N5CCCC5)c4)nc3cc2N1 587177200 CBDJKWFSDIFBTM-UHFFFAOYSA-N 353.357 2.695 0 1 FFAF COC(=O)[C@H]1CC[C@@]2(CC1(C)C)NCCc1ccc(C(=O)N(C)C)cc12 962921707 DEPGXOKSTPGCIM-IERDGZPVSA-N 358.482 2.729 0 1 FFAF CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2[S@]1=O 13525445 USKXTPGLKFYTNS-FQEVSTJZSA-N 357.273 2.693 0 1 FFAF C[C@@H]1C(C(=O)N2C(=O)[C@@H](C)[C@@H]3[C@@H]2CCN3C(=O)OCc2ccccc2)[C@@H]1C 13529132 UOZDCCIXXAQPLF-ACSMCJTDSA-N 370.449 2.673 0 1 FFAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](O)[C@H](c2ccc(O)cc2)O3)O1 209023806 VUCDJMGYWZLBKX-MOPGFXCFSA-N 354.358 2.959 0 1 FFAF O=C(Nc1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356385039 GVIUWLOHFVRGNX-ZFWWWQNUSA-N 355.373 2.729 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO 4206716 NUEARICFEPWQBE-SJLPKXTDSA-N 374.824 2.549 0 1 FFAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296280 HORXBVNTEVKUHM-WBVHZDCISA-N 362.788 2.679 0 1 FFAF CCOc1ccc(CCCC(=O)N2CCC(c3nnn[nH]3)CC2)cc1C 55243543 NGOGXGHYJMEMFQ-UHFFFAOYSA-N 357.458 2.636 0 1 FFAF O=C1Oc2ccccc2[C@@H](O)[C@H]1Sc1c(O)c2ccccc2oc1=O 100360875 IDHBHFXFHJPAMQ-UKRRQHHQSA-N 356.355 2.612 0 1 FFAF CCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231531 RTMMCCSLSGGTDP-LURJTMIESA-N 370.981 2.806 0 1 FFAF CC=C(CCO)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356311852 SMNSOYCWHNOSGA-QGZVFWFLSA-N 358.390 2.747 0 1 FFAF O=S(=O)(c1ccc(Cl)cc1)N1CCOC[C@@H](Oc2ccccc2)C1 2356473596 KGPMBVQPFBYFIV-INIZCTEOSA-N 367.854 2.809 0 1 FFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356683796 DKVDXRLJBXRNDO-BURNTYAHSA-N 369.509 2.680 0 1 FFAF O=C1[C@@H]2CCCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1 73197697 URQVZPKHIUYIDP-MSOLQXFVSA-N 371.481 2.567 0 1 FFAF C[C@@H]1C[C@H]2OCC3=CCC[C@H]([C@]1(C[C@H](O)c1ccoc1)C(=O)O)[C@]32CO 36378735 IMVOSSZWEWPSNK-LTPBQMFOSA-N 362.422 2.528 0 1 FFAF CCCCc1nc2c3c(cc(F)c2n1C)c(=O)c(C(=O)NC)cn3CC 40414003 IDKBQAVVERCRLD-UHFFFAOYSA-N 358.417 2.749 0 1 FFAF CC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21 40879507 ZDQWIROUEKDXJI-UHFFFAOYSA-N 357.370 2.771 0 1 FFAF Cn1c2cc(F)cc(C(N)=O)c2c(=O)n1C1CCN(C2CCCCC2)CC1 146732717 PQXUCBRUEQVEIZ-UHFFFAOYSA-N 374.460 2.548 0 1 FFAF COc1ccc(NC(=O)Nc2c(C)n(O)c3ccc(OC)cc3[n+]2=O)cc1 377819904 HGJSGPIVBHYDKC-UHFFFAOYSA-O 371.373 2.763 0 1 FFAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(O)nc(=N)[nH]c3[nH]2)c1 587159523 QHLKDOGQVDUIQB-UHFFFAOYSA-N 365.368 2.877 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)O2 587394044 PVXRVTZZXXRSGL-GOEBONIOSA-N 362.426 2.547 0 1 FFAF CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)c(C)n1 587639123 NNLCUNRHTNKJFU-UHFFFAOYSA-N 354.410 2.895 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 586921390 HLHZEGBGWWTNOV-QGZVFWFLSA-N 358.423 2.671 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCOCC3)nc1C)O2 587411926 GHIKVQFSUAEXNF-HNNXBMFYSA-N 359.451 2.885 0 1 FFAF NC(=O)C[C@@]1(C(=O)O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508913 GINAJRILUILGFN-RTWAWAEBSA-N 371.433 2.790 0 1 FFAF COC(=O)c1ccnc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 587080734 FLMSXNMORAJLMG-UHFFFAOYSA-N 358.785 2.999 0 1 FFAF Nc1nc(N)c2cc([S@](=O)c3ccc(Br)cc3)ccc2n1 169315039 OEYPRWOXCKZCOS-OAQYLSRUSA-N 363.240 2.723 0 1 FFAF CC[C@H](NC(=O)c1c(OC)ccc(Br)c1OC)[C@H]1CCCN1 5923181 JFRVWLWCXBTSHH-NWDGAFQWSA-N 371.275 2.727 0 3 FFAF in-vitro CC1=CC2=CC3=C(C(=O)CCCCC[C@H](C)O)C(=O)O[C@]3(C)[C@@H](O)C2=CO1 14658790 PFALYUDCQYQBHE-DRAMBROLSA-N 374.433 2.618 0 1 FFAF biogenic Cc1ccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)cc1 169707000 QBUZNVPOMZHNCC-MRXNPFEDSA-N 360.417 2.922 0 1 FFAF NC(=S)c1cccc(-c2cn(CC3OCCO3)c3cc(N)ccc23)c1 1857590979 PABPFIDXJOCXCX-UHFFFAOYSA-N 353.447 2.898 0 1 FFAF COCCCN1CCC(CNC(=O)c2nc(C(C)C)c3ccccn23)CC1 1857763900 LZJASLWGOQIOSX-UHFFFAOYSA-N 372.513 2.936 0 1 FFAF C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356402748 PJMSRJYOTNDEEP-SFVMVFFPSA-N 350.499 2.537 0 1 FFAF CCCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 6916352 FXDYUZINNFGESN-UHFFFAOYSA-N 370.428 2.859 0 1 FFAF CN1C(SCC(=O)NCc2ccco2)=NN/C1=C1\C=Nc2ccccc21 104037352 XABJJDGYZQSABN-VKAVYKQESA-N 367.434 2.520 0 3 FFAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(=O)NC)c1O 27886163 IEZFBSMTRBQORH-UHFFFAOYSA-N 373.405 2.990 0 1 FFAF O=C(Nc1ccc(I)cc1)c1ccc(Cl)[n+]([O-])c1 29569244 WUYOUADFBDRPLL-UHFFFAOYSA-N 374.565 2.830 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)n1 2356301387 AGNXAGBKPIGIHG-WMLDXEAASA-N 356.401 2.706 0 1 FFAF O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 103275033 HOCKLGZDTABYEP-XLIONFOSSA-N 353.418 2.930 0 1 FFAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(N2CCCC2=O)c1 28361184 BNCNGKDXQAOQCT-UHFFFAOYSA-N 367.449 2.670 0 1 FFAF O=C([C@H](O)c1ccccc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 28891682 AEBNQBMNALVGPB-LJQANCHMSA-N 350.422 2.699 0 1 FFAF O=C(O)CC(=O)N[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26508101 OOAVQQRJDWPIDS-QZTJIDSGSA-N 369.417 2.522 0 1 FFAF COc1cc(CN2C(=O)[C@H](C)ON=C2c2ncccc2C)cc(OC)c1 61927875 LLAZBFNZRWXPLT-ZDUSSCGKSA-N 355.394 2.516 0 3 FFAF CNC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27853237 WPRRIYPYCXHVPK-GJZGRUSLSA-N 366.373 2.680 0 1 FFAF COc1c(C)c(O)c2c(c1C=O)O[C@H](C)[C@@H](C(=O)c1ccccc1)C2=O 3581755 XOYBHGIKQQOETF-RISCZKNCSA-N 354.358 2.984 0 1 FFAF biogenic O=C(NC1CCN(C(=O)C(F)(F)F)CC1)NC12CC3CC(CC(C3)C1)C2 36330623 SZMZZNRRWJYDIB-UHFFFAOYSA-N 373.419 2.808 0 1 FFAF CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cccnc3)cc2n1 45245072 CXWZHSNLXAJYMQ-UHFFFAOYSA-N 359.393 2.995 0 1 FFAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC)N3)cc1 82228000 WRYOXHMSUHZJRN-HNNXBMFYSA-N 372.469 2.806 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2OC2CCCC2)O1 85594480 KDGPOOXPFUCBJP-KRWDZBQOSA-N 360.406 2.681 0 1 FFAF biogenic,in-vitro NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 40764379 QOMHZEDGTJFHRB-UHFFFAOYSA-N 361.921 2.657 0 1 FFAF O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 195209308 DUFGBXZQCBTAOV-KJWYOANISA-N 368.433 2.774 0 1 FFAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@@H]1N=C2 140077493 MPEKCHDBHNYAJG-STQMWFEESA-N 351.378 2.789 0 1 FFAF COc1cc(OC)c(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OC 59766682 RPXLWWVVJPJBJJ-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586945726 AQVSFAWBIMQBQK-HNNXBMFYSA-N 371.462 2.996 0 1 FFAF CC(C)NC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655480 JNDQPFVZDVRRLG-UHFFFAOYSA-N 371.343 2.507 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595943 MBTRZOWNKMXIJR-OXQOHEQNSA-N 370.357 2.635 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177559 MVLOLQYCVDORCD-UHFFFAOYSA-N 360.414 2.768 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(n1)NC(=O)CO3)CC2=O 587488265 ZGFRVGUCNJSJTE-INIZCTEOSA-N 354.362 2.777 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587773164 JRJPQLLAWBTXCM-AKENFEQQSA-N 369.278 2.811 0 1 FFAF CC(=O)N/C(=C/c1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652485 SKXMBJXFXKFJJV-RQZCQDPDSA-N 367.792 2.867 0 1 FFAF COc1ccc2c(c1)Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2 169704379 XMSMIXBORYYXJR-UHFFFAOYSA-N 360.421 2.760 0 1 FFAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(CN)cc3C2)cc1 166992235 WQVQCEQYHSOTDM-UHFFFAOYSA-N 352.438 2.833 0 1 FFAF O=C(Nc1ncnc2c1ncn2CCO)c1cccc(-c2ccccc2)c1 1857547995 XXKOGWUSAFNSOK-UHFFFAOYSA-N 359.389 2.738 0 1 FFAF O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCC1=CCCCC1 6797253 TXXAURGZCBXXGW-UHFFFAOYSA-N 350.422 2.656 0 1 FFAF COC(=O)[C@@H](C(C)=O)[C@@H](NC(=O)NCc1ccccc1)c1ccccc1 7992496 LNUUUDMPKGHRTH-ROUUACIJSA-N 354.406 2.605 0 1 FFAF C[C@@H](NC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O 66113614 JTAQLMRPSOWRBB-SCSAIBSYSA-N 369.221 2.803 0 1 FFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@H](CC3)[C@@H](CO)C[C@]41CN(C)C2 2356538884 ULAUSBPEMLEEMK-ZWZXKMJASA-N 363.542 2.577 0 1 FFAF CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(C(N)=O)[nH]c2c1 28374354 TXPRFIRYMHWJRY-UHFFFAOYSA-N 364.423 2.961 0 1 FFAF CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C 35982808 IRRGZHQOVQRPSV-BIOWEVTKSA-N 362.422 2.548 0 1 FFAF O=C1c2cc3c(cc2OCN1CCc1ccsc1)C(=O)N1CCC[C@@H]1O3 72171043 XAJRJCPZCYPUTN-KRWDZBQOSA-N 370.430 2.737 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)C[C@H]3O 14921210 XFQYJNINHLZMIU-HUUCEWRRSA-N 371.433 2.964 0 1 FFAF biogenic Cc1cc(CNc2ncc(Br)c(Nc3cc(C)[nH]n3)n2)on1 84733933 ITMSGQSFXHYWNM-UHFFFAOYSA-N 364.207 2.923 0 1 FFAF COC(=O)C1=CN[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 40640966 QRQPCYRAKCACCD-UBTURXDTSA-N 351.450 2.752 0 1 FFAF COc1ccc2oc(CSC(=S)N3CCOCC3)cc(=O)c2c1 42989403 ABPRFSKNDXBGLA-UHFFFAOYSA-N 351.449 2.652 0 1 FFAF CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O 96177796 AHNKZHOSFCUALJ-HIFRSBDPSA-N 369.473 2.986 0 1 FFAF CC(C)C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C 96020532 CPMFQIWHIQLAIV-AWEZNQCLSA-N 370.540 2.667 0 3 FFAF N[C@H]1C[C@@H](N2Cc3cnn(CC4CC4)c3C2)CO[C@H]1c1cc(F)ccc1F 96177964 XPQBRJDVVUGRBM-BPAFIMBUSA-N 374.435 2.744 0 1 FFAF O=C1CN=C(n2cnc(CF)c2)C=C2c3cccc(C4CC4)c3CCN12 149266457 KXLYHSSJUUTFEL-UHFFFAOYSA-N 350.397 2.916 0 1 FFAF COC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C 238747651 QURLHQXDOIDRTF-MDUILUSMSA-N 352.434 2.799 0 1 FFAF CCc1nnc2n1C[C@H](C(=O)n1nc3cc1Oc1ccc(F)cc1-3)CC2 587876169 PERSKVRVGGKDRG-SNVBAGLBSA-N 353.357 2.852 0 1 FFAF CCOC(=O)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 587397058 RIJLHUFDAFJPSA-HXUWFJFHSA-N 365.389 2.877 0 1 FFAF Oc1cc(O)nc(SCc2nc3cc(F)cc(Br)c3[nH]2)n1 586967128 VBCKCTWQLLUEJO-UHFFFAOYSA-N 371.191 2.958 0 1 FFAF Oc1nc(O)c2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587013401 UXRFYDSOSRSZNA-UHFFFAOYSA-N 354.189 2.528 0 1 FFAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCO[C@H]2C3)[C@@H]1c1ccc(F)cc1 587344559 GZCMRBUUXIWHJZ-ZVDOUQERSA-N 369.392 2.734 0 1 FFAF Cc1ccc2c(ccc3nc(CCc4ccc(S(N)(=O)=O)cc4)[nH]c32)n1 586929695 HBBXDHCVQWNWRT-UHFFFAOYSA-N 366.446 2.852 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)([C@H](C)O)CC2=O 587477556 CVKGJTIUTYTLKG-HXPMCKFVSA-N 350.411 2.773 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ncc[nH]c-3n2)cc1 587040567 OINSQLLVXMIBTK-ZDUSSCGKSA-N 355.423 2.591 0 1 FFAF COCCO[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659242 ZFHUWPDCWNELQS-CYBMUJFWSA-N 370.380 2.894 0 1 FFAF Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3(C)C)n[nH]1 1772655404 XMVDIIYAPXFKPF-UHFFFAOYSA-N 362.455 2.717 0 1 FFAF O=C1CC[C@@H](C(=O)N2CCCO2)CN1Cc1cccc(C(F)(F)F)c1 12316115 WUATVHFPPRCBGH-CYBMUJFWSA-N 356.344 2.608 0 3 FFAF C[C@@H]1C[C@H]2OC(=O)[C@H]3CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO 169673903 HSTQCNXDHJXHRV-JQRODZHKSA-N 360.406 2.614 0 1 FFAF Cn1cc(-c2cc3c(-c4cccc(-c5cnn(C)c5)n4)n[nH]c3cn2)cn1 205270436 BNSKVRMPHSXDLO-UHFFFAOYSA-N 356.393 2.821 0 1 FFAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(=NCCC(=O)O)[nH]1 1857608335 XGZWWMRJMWUREF-UHFFFAOYSA-N 368.484 2.868 0 1 FFAF O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1 4238617 PBNARCGXBXTMLR-CYBMUJFWSA-N 358.785 2.811 0 1 FFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2 100741777 IBOZZWGMZPMXBO-CRWXNKLISA-N 371.218 2.688 0 1 FFAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OC)c(OC)c1 103252992 REBVQASAMYDXIF-KRWDZBQOSA-N 371.389 2.667 0 1 FFAF Cc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 116823860 IXXZMCAXYXKFIZ-ROUUACIJSA-N 350.466 2.919 0 1 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccn2)nc1 29038966 LKMNOVJDCMTMGD-UHFFFAOYSA-N 368.340 2.752 0 1 FFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2CC(C(=O)OC)=C[C@@]2(C)[C@H]1C(=O)OC 2356555038 GTQAUWWSOKGAGH-DEXNDLTESA-N 350.411 2.573 0 1 FFAF c1cc(-c2ccc(-c3ccc(C4=NCCN4)cc3)nn2)ccc1C1=NCCN1 27651907 KTSKTFKUDWHNEZ-UHFFFAOYSA-N 368.444 2.510 0 1 FFAF CCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[nH]2)c1 84710804 WJFKRAOJYCBSGB-UHFFFAOYSA-N 365.393 2.581 0 1 FFAF COc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)[nH]n2)cc1 95576283 XXYWJJJEDMYQLQ-UHFFFAOYSA-N 358.442 2.526 0 1 FFAF CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 621478094 AFMMDUVCRJBCMX-UHFFFAOYSA-N 356.806 2.781 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(CCO)cc2[nH]1)C(C)C 586933353 QACLEKMPMJOSBA-INIZCTEOSA-N 353.488 2.514 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178171 SYADRNOEERQPDE-UHFFFAOYSA-N 370.203 2.930 0 1 FFAF NC(=O)NCCC[C@H](N)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587260060 PQMLUMVOSTVJLG-ZETCQYMHSA-N 365.743 2.563 0 1 FFAF CC(=O)OCC[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962638732 MHXNBRZFJWNLKF-WOJBJXKFSA-N 356.422 2.502 0 1 FFAF COC(=O)[C@]12CC3(CC[C@@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 169298676 FIBTWTLJSKPPQB-GBUMKGIVSA-N 370.445 2.780 0 1 FFAF COc1cc2c(c(OC)c1)[C@@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CO)OC2 169355832 IVJQHPFJFSRCHY-ZPDRTHRUSA-N 356.418 2.753 0 1 FFAF Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 205805598 LWZXBBCMVOLFBF-CVEARBPZSA-N 350.426 2.708 0 1 FFAF CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1 1368363 YBJZNKVVDSUNJC-UHFFFAOYSA-N 351.472 2.584 0 3 FFAF COCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12 4239230 VLEKMSCBJBQXIB-UHFFFAOYSA-N 372.450 2.727 0 1 FFAF CC(C)C[C@@H](C(=O)N[C@@H](CO)c1ccccc1)N1Cc2ccccc2C1=O 2356762799 VGBHURWEHJLRLU-PMACEKPBSA-N 366.461 2.907 0 1 FFAF CC(C)NC(=O)C[C@@]1(C)N=C(c2cccc(Br)c2)N(C)O1 74373509 NNHKSMMAEAVNOJ-HNNXBMFYSA-N 354.248 2.704 0 3 FFAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185944 ARNVNISKMZUPRR-UHFFFAOYSA-N 370.432 2.837 0 1 FFAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O 85589133 QIJNCQNMZUTUIF-BKTMZONDSA-N 366.435 2.999 0 1 FFAF endogenous,world CN1C[C@@]2(C)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C1=O 40791317 MSXUDKKTDJZLBH-ZDUSSCGKSA-N 361.707 2.952 0 1 FFAF CC(C)CNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 199248542 BSIZLLJULBWAAB-QGZVFWFLSA-N 357.454 2.554 0 3 FFAF COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C)[C@]15CC2)[C@@H]43 238759904 RRVQWUQWPISZCH-CHKJKVEQSA-N 352.478 2.954 0 1 FFAF CC(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 96019057 FGSVKWKIZPJUCM-WMZOPIPTSA-N 351.468 2.758 0 3 FFAF FC(F)(F)COc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 149985579 ZTYHAMMHLXFZFI-AWEZNQCLSA-N 354.332 2.822 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCOC4)ncc23)ccn1 261089802 DGSILWJRDTVIQN-CYBMUJFWSA-N 352.398 2.629 0 1 FFAF CC(C)n1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21 299855538 FTYIWUCMIWVTLG-UHFFFAOYSA-N 371.400 2.832 0 1 FFAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 587068709 BQRVNMNTAQANDQ-QMMMGPOBSA-N 351.888 2.869 0 1 FFAF N[C@H](Cc1cscn1)c1nc2cccc(I)c2[nH]1 587029975 WPFDIVBJUFHDSO-SECBINFHSA-N 370.219 2.867 0 1 FFAF COC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587836846 XWUYPKZLANGPBL-RVIYUIFMSA-N 372.234 2.527 0 1 FFAF Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587743645 FAQLICUFXWJJMV-UOWDBTKRSA-N 351.223 2.723 0 1 FFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587516952 YFBUOFIIDNQTFH-FQEVSTJZSA-N 354.406 2.861 0 1 FFAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587431926 RUEYZFPNHIJGCL-LHSJRXKWSA-N 363.369 2.914 0 1 FFAF Cc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl 586959643 SOZLGBCMSBIJRX-MRXNPFEDSA-N 365.842 2.994 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586962674 UNYRQRHJDQBUOS-YFKPBYRVSA-N 367.337 2.816 0 1 FFAF COC(=O)C[C@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521358 CNWQJYJNZIQYLC-QRWLVFNGSA-N 360.406 2.642 0 1 FFAF O=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC(F)C1 209478765 UTHXOPCOQREWLE-UHFFFAOYSA-N 358.392 2.679 0 1 FFAF CO[C@H]1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@H](O)[C@H]1O 1772648368 MRMDTKPKPZHCII-SLFFLAALSA-N 366.369 2.593 0 1 FFAF CC(C)N(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 1772634730 UFVQMJNACIVNSS-UHFFFAOYSA-N 362.909 2.962 0 1 FFAF COc1ccnc(C[S@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 13452114 WYOZHYMHWOFMKP-RUZDIDTESA-N 367.333 2.596 0 1 FFAF CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H]1C)OCO3 13604058 LMKSRWCXRYNKMW-LLVKDONJSA-N 352.394 2.856 0 1 FFAF CCc1cc(CNC(=O)c2ccc(OC)c(O[C@H](C)CN(C)C)c2)on1 169303140 AAEILPPCGJDJPT-CYBMUJFWSA-N 361.442 2.505 0 1 FFAF c1cncc(-c2cc(N3CCN4CCC[C@@H]4C3)nc(-c3ccncc3)n2)c1 1857607359 APTORGFLKXSVIH-GOSISDBHSA-N 358.449 2.885 0 1 FFAF CC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@H]3CO)nc21 1486762 AYNMLENGSDFFOL-INIZCTEOSA-N 366.469 2.980 0 1 FFAF COc1ccc(CCNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1O 2356384773 NDWMTKYDUPKTPL-UHFFFAOYSA-N 357.406 2.790 0 1 FFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@]34C 2356296735 NSOXQZVUDLTNIG-LBQQPGCJSA-N 357.450 2.869 0 1 FFAF Fc1ccc2nc(CO[C@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2c1 2356299314 FQBPCOQYXDDFLM-YOEHRIQHSA-N 362.355 2.975 0 1 FFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 2356302368 SYLWGXLSYDPIDX-ZCNNSNEGSA-N 371.525 2.967 0 1 FFAF COc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1 28477718 GENLMNGXIBMICV-UHFFFAOYSA-N 374.418 2.537 0 1 FFAF COc1c(O)cccc1-c1coc2c(OC)c(OC)c(OC)c(O)c2c1=O 14437413 VEFTVFGQXJPQTG-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic COc1ccc(C=C2c3cc4c(cc3CCN2C=O)OCO4)c(O)c1OC 14676759 KGIWWYFPJBFXLZ-UHFFFAOYSA-N 369.373 2.651 0 1 FFAF biogenic CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)O)cs1 82071473 LOOGAENMISQDED-CYBMUJFWSA-N 350.465 2.822 0 1 FFAF CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccccc2)cs1 96282314 KLVDOELGSHWWAN-UHFFFAOYSA-N 359.436 2.579 0 1 FFAF COC(=O)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 473135715 SRTNBIMFQNCLAB-SFHVURJKSA-N 354.362 2.545 0 1 FFAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(F)nc4)cc3SC[C@@H]12 299870695 WSPYOOYYUMBGNX-GJZGRUSLSA-N 373.409 2.823 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 587107663 SRJWVNCWJOFOIN-OGXQQIFESA-N 370.408 2.834 0 1 FFAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)cc1Cl 587368267 FOEYXBLGTPWPQV-UHFFFAOYSA-N 365.176 2.924 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1cccnc1 587870276 CVIVUIMFHZTPQQ-UHFFFAOYSA-N 368.368 2.553 0 1 FFAF CCOC(=O)C[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587789003 BDSHEBXRRXBWHY-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF CC(C)c1nn(C)c2c1[C@](C)(CC(=O)NCCc1ccccc1)NCC2 962919150 KBCGLBGHYPGNFN-NRFANRHFSA-N 354.498 2.653 0 1 FFAF CCOC(=O)C(=O)C[C@]1(c2ccccn2)NCCc2c1sc(C)c2C 963007262 HRXBIUAXBAOLCS-LJQANCHMSA-N 358.463 2.672 0 1 FFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC[C@@H](O)C1 1772580830 KBARSEOMWUKWBQ-CYBMUJFWSA-N 361.405 2.703 0 1 FFAF CCOC(=O)[C@H]1Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13814150 SOXNHABQJKXTLG-IBGZPJMESA-N 368.385 2.994 0 3 FFAF Cc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1 1370734 HSELHXUKEXLCIN-UHFFFAOYSA-N 353.451 2.763 0 3 FFAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnc(C)cn4)c3[C@@H]2C1 116944864 DEDLKMNQMUPQOI-DOMZBBRYSA-N 367.409 2.735 0 1 FFAF C[C@@H](Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1 103260251 DFOVHOILEQUUQL-SNVBAGLBSA-N 365.376 2.604 0 1 FFAF COc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nn1 28456035 DLJLMXDPWOROTK-UHFFFAOYSA-N 355.442 2.963 0 1 FFAF C[C@H](O)CCC[C@H](O)C=C[C@H]1O[C@H]2C[C@@H](O2)[C@H]1CC=CCCCC(=O)O 2356744038 WOQBOHYWWJRXPR-RJENKUHMSA-N 368.470 2.786 0 1 FFAF COCc1cc([C@H](O)CN[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 39238204 ITELRECMSVOHPU-SCLBCKFNSA-N 359.422 2.522 0 1 FFAF O=C1C[C@@](O)(c2ccccc2)[C@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 14884344 ANQCWAZGTFETKF-LEWJYISDSA-N 364.353 2.657 0 1 FFAF biogenic CC(C)(O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 219764209 TWAFQKKIIWKULE-INIZCTEOSA-N 359.470 2.812 0 1 FFAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 85589142 QIJNCQNMZUTUIF-WKZPIUISSA-N 366.435 2.999 0 1 FFAF endogenous,world CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 82211229 KQSTZPVTLGKFIN-LBPRGKRZSA-N 354.410 2.765 0 1 FFAF CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141961117 VYYRGWITAKWHDR-OAHLLOKOSA-N 361.409 2.572 0 1 FFAF CC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 621441636 PHFKMQIUISHRJW-HZPYRXDASA-N 374.868 2.537 0 1 FFAF CCOC(=O)c1ccc2c(c1)n(O)c(C(=O)CC)c(C(F)(F)F)[n+]2=O 377845654 IDCGAOHWOWDNJX-UHFFFAOYSA-N 359.280 2.581 0 1 FFAF CCOC(=O)c1nn(C)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587392022 QGWXABPRKBGHSA-FQEVSTJZSA-N 369.421 2.684 0 1 FFAF COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444806 VCGHDJNHQPIEDR-YWMUFLPLSA-N 350.370 2.694 0 1 FFAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)cc1 587245731 YPDXDFGERUGFFE-UHFFFAOYSA-N 374.404 2.986 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(CS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587449704 RCGDQTPZUQTHSL-JXFKEZNVSA-N 372.442 2.903 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397887 BQFPSPKSWIBIRI-OAQYLSRUSA-N 367.401 2.960 0 1 FFAF NC(=O)Cn1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c2cccnc21 963118837 XVJDPMVTISGLIG-YWZLYKJASA-N 364.424 2.771 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=CN(CCOC)[C@@H](C)C2=O)N1 962958521 UPUNMGSCNNMHLV-PDSXEYIOSA-N 353.466 2.721 0 1 FFAF COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@@H](C2)NCC4)OCO3 13375395 SZMVKWFJCYTPOI-CYBMUJFWSA-N 355.390 2.851 0 1 FFAF biogenic COCC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1 1367383 GIVATFWXPYXUGE-UHFFFAOYSA-N 367.453 2.812 0 3 FFAF CC[C@H](C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857607800 XZROHBHHMGXQFO-ZDUSSCGKSA-N 352.398 2.735 0 1 FFAF CC[C@@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N1C 1857634732 NTYLSQUODPDYLG-MRXNPFEDSA-N 373.478 2.987 0 1 FFAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 767420 KDIJDWNBCDDYQN-NVXWUHKLSA-N 358.463 2.975 0 1 FFAF CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 1186927 GKOGUFUDKOZXQH-IAGOWNOFSA-N 352.390 2.553 0 3 FFAF O=C(c1cccc(NS(=O)(=O)C2CCC2)c1F)c1c[nH]c2ncncc12 113488630 ISMBOOYEEUYQAD-UHFFFAOYSA-N 374.397 2.622 0 1 FFAF CN1[C@H](C[C@H](O)c2ccccc2)C[C@H](O)C[C@@H]1C[C@@H](O)c1cccc(O)c1 2356329572 HNYUZVZJPPFNLG-XRYRHKQGSA-N 371.477 2.763 0 1 FFAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](O)CC[C@H](C)[C@@]12C 2356488498 OVZYDQPLJDOTDE-OHDNZHKMSA-N 362.422 2.863 0 1 FFAF COc1ccc2nc(CO[C@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356597898 YDTXIOJZSQGXFJ-WFASDCNBSA-N 362.430 2.767 0 1 FFAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@@H]1O 27323677 KEMICGMUYDFMDW-GVDBMIGSSA-N 360.458 2.597 0 1 FFAF C[C@H]1CC[C@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 34148405 MVTNSOOORIFBMO-PUPMMZHASA-N 354.244 2.508 0 1 FFAF CN1[C@@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 36378227 OVICWRANQXMJNG-MORSLUCNSA-N 366.490 2.832 0 1 FFAF COc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1 45374943 JACWEGUQNPPNAK-UHFFFAOYSA-N 371.343 2.881 0 1 FFAF COC(=O)/C(=C\C[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]12CO2)[C@H]1CO1 95486147 DQKIVJKTAXWJRV-WRMCWFQFSA-N 364.482 2.857 0 1 FFAF biogenic,in-vitro CC(C)C[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95582416 MCQPMCDEXWCMDM-ZDUSSCGKSA-N 354.433 2.983 0 1 FFAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(C)C 35442601 RAGXZSGHNVCTKK-USNOLKROSA-N 368.562 2.863 0 1 FFAF biogenic CC(=O)N1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O 68572001 HEOFDSCWFPYSLP-LJQANCHMSA-N 354.793 2.950 0 1 FFAF biogenic COC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 587233121 IDRGWJGYUVUHCZ-WDEREUQCSA-N 360.414 2.905 0 1 FFAF CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N(C(N)=O)C(=O)N1 13820438 MJHVURZZWVIJRK-ZDUSSCGKSA-N 351.790 2.711 0 1 FFAF COc1ccc2c(c1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 169711690 PSRFQVGJFPAKQT-MRXNPFEDSA-N 365.437 2.508 0 1 FFAF OC[C@@H]1CCCN1c1nc2ccccc2c(=NCCc2ccccc2F)[nH]1 1857544502 SASNOSKSVTXGTH-INIZCTEOSA-N 366.440 2.807 0 1 FFAF C[C@H]1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O 1857546977 PIOCDECZIQSCFV-GOSISDBHSA-N 365.477 2.911 0 1 FFAF O=C1CCc2ccccc2N1CCCCN1CCN(c2ccccn2)CC1 1857552987 FPVLBAXLMUJERT-UHFFFAOYSA-N 364.493 2.963 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 1491371 BJDIQUJXLIZDRH-CQSZACIVSA-N 355.446 2.597 0 1 FFAF COc1ccc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O 2356382433 AOMUBLFRVWEUNV-QEEYODRMSA-N 360.406 2.654 0 1 FFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356289204 RGSGFNKWHNQFME-WCIQWLHISA-N 369.509 2.680 0 1 FFAF CCN(CC)CC1(CN(CC)CC)Oc2cc(OC)cc(OC)c2C1=O 53295168 AQFQYHOCZRDZBP-UHFFFAOYSA-N 364.486 2.701 0 1 FFAF Cn1[nH]c(-c2cccnc2)c2nc(-c3cccc(CN4CCOCC4)c3)nc1-2 103598292 VYVSSACOXRZAEU-UHFFFAOYSA-N 374.448 2.809 0 1 FFAF Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 101369506 BDVXLXLWIPWOCW-QZTJIDSGSA-N 371.506 2.739 0 1 FFAF Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NC[C@H]1CCCO1 20415990 VETVLGUOZWOFKL-QGZVFWFLSA-N 350.422 2.880 0 1 FFAF OC[C@H]1[C@@H](n2cnc3c(Cl)ncnc32)C[C@H]1COCc1ccccc1 28709836 JDMXELSBXFFVRB-ZNMIVQPWSA-N 358.829 2.866 0 1 FFAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccn3)CC1)OCC2 27885944 DOCWNKWYKPZAFE-FQEVSTJZSA-N 369.465 2.535 0 1 FFAF NC(=O)C[S@](=O)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 73296001 CHNHHSRABLVDIA-DEOSSOPVSA-N 357.353 2.986 0 1 FFAF CN1CCN(CCOC2=C(c3ccc(Cl)c(Cl)c3)C(=O)OC2)CC1 72170729 FWASSEMAJUBVIZ-UHFFFAOYSA-N 371.264 2.525 0 1 FFAF COC(=O)C1=C[C@@]23C[C@H](C)CC[C@@H]2[C@@]2(C)[C@@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 14691154 WWKLZOFMEXWTLT-STFITGMHSA-N 362.466 2.861 0 1 FFAF biogenic CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40380084 NMMBOAVVJDOKHT-ZHJQRIIBSA-N 352.814 2.991 0 1 FFAF COc1c(C)c(-c2c(C)c(OC)c3c(c2O)OCO3)c(O)c2c1OCO2 223076217 GCHMSLBRCLIDEX-UHFFFAOYSA-N 362.334 2.856 0 1 FFAF Cc1cc(C)c2nc(CN3CCC(N4CCOCC4)CC3)cc(O)c2c1 91987147 MKSQWUHHZXPDNY-UHFFFAOYSA-N 355.482 2.854 0 1 FFAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 238787586 BXXJRMFWRQTPAC-PYNLGSQFSA-N 361.438 2.894 0 1 FFAF O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ncccc2F)C1 95565494 DAIBJDVGQUEYSZ-UHFFFAOYSA-N 357.776 2.789 0 1 FFAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1cccs1 95565650 HDDFMQKBKNKLDE-UHFFFAOYSA-N 370.478 2.870 0 3 FFAF c1ccc(-c2cn([C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@@H]43)nn2)cc1 36369374 DEBLZMCUHNOXES-DOIPELPJSA-N 368.481 2.822 0 1 FFAF biogenic O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc(C(F)(F)F)c1 587368415 OXIBQQYNQWVJLS-UHFFFAOYSA-N 364.283 2.636 0 1 FFAF CCOC(=O)[C@H]1CCc2ccncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587394536 HAPUMLPYHIPIPB-QVKFZJNVSA-N 366.417 2.958 0 1 FFAF N[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1COC1 587255535 JWJWADXAIUOJRI-SNVBAGLBSA-N 366.137 2.870 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)C(F)(F)C1 587132286 PEKRIXQPWWLUAH-SSDOTTSWSA-N 359.764 2.928 0 1 FFAF C=CN1CC[C@H]([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394896 JWCPXEXOOBMICP-YCRPNKLZSA-N 363.417 2.825 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnn(CC)c1)CC2=O 587475013 JXYNPHZDQXUGLT-HXUWFJFHSA-N 372.421 2.985 0 1 FFAF C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CC[C@@H](C3)N4C)cc21 13650313 GUFZCQOYIKWMOS-OLZOCXBDSA-N 371.412 2.612 0 1 FFAF CCOC(=O)CCCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O 13674963 MUNCSLJHAWJSEY-UHFFFAOYSA-N 373.453 2.884 0 1 FFAF Oc1ccc2c([C@@H](O)CNCCCc3ccccc3O)ccc(O)c2n1 1857582172 CNMYHJHYKKZBAK-SFHVURJKSA-N 354.406 2.607 0 1 FFAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(NCCc1ccccn1)c2=O 1857617920 OSLSWAMGVVTJBD-UHFFFAOYSA-N 372.856 2.912 0 1 FFAF C=CC(=O)Oc1cccc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)c1 1857629922 UAZKLKCBMGMZLW-OAQYLSRUSA-N 362.385 2.954 0 1 FFAF COc1cc(Cc2c(N)nc(N)nc2-c2ccccc2)cc(OC)c1OC 27625246 PTXLBWVRVRFUQX-UHFFFAOYSA-N 366.421 2.925 0 1 FFAF NCCc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12 29125775 OZSLHUOZEYSBNN-UHFFFAOYSA-N 370.412 2.649 0 1 FFAF COC(=O)[C@]12C[C@@]34C[C@H](C)CC[C@H]3[C@@]3(C)[C@H]1C(=O)[C@@H](C[C@@]3(O)O4)C2(C)C 2356797682 OHQMUENDPIGROS-XBVWCAQGSA-N 362.466 2.695 0 1 FFAF CC[C@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 26028708 VFOAYTNJTDQUAC-SECBINFHSA-N 350.767 2.784 0 1 FFAF CN(C)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987401 PKPZNTJEXBRJFN-UHFFFAOYSA-N 369.288 2.941 0 1 FFAF CC(=O)N1C[C@H](C)Sc2cc(S(=O)(=O)N3CCCCC3)ccc21 34145539 BGFOPQISMVSTMI-LBPRGKRZSA-N 354.497 2.708 0 1 FFAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O 38143457 XLWGCKMTRJTQLH-UHFFFAOYSA-N 352.321 2.884 0 1 FFAF CC(C)(O)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 410428640 LVMYOUOJYSDZSC-OALUIVMHSA-N 374.525 2.744 0 1 FFAF world COc1ccc(O)cc1-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1OC 14436567 VZYLUNLHPIFZJH-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic C[C@@H](C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1 82153056 OEJBVIZWLDOGAU-MSOLQXFVSA-N 360.498 2.843 0 1 FFAF COc1ccc2c(c1OC)C(=O)Cc1cc3c(cc1CN(C)CC2)OCO3 85738294 IQMNEXSNDKWUSQ-UHFFFAOYSA-N 369.417 2.846 0 1 FFAF biogenic,in-vitro Nc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 199949611 UZRZDNHHSZWBNC-UHFFFAOYSA-N 371.448 2.656 0 1 FFAF CN(C)C(=O)c1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3 141824624 LXMTYDCANZNAPX-UHFFFAOYSA-N 353.403 2.718 0 1 FFAF O=C(C1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95877481 SUIBKFBZOYMXIB-BYCMXARLSA-N 351.244 2.535 0 1 FFAF CN1CC[C@@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 261104129 HCXROKMNZVAASZ-LBPRGKRZSA-N 368.416 2.837 0 1 FFAF CCOC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655990 RVCIJTURUBPYFT-UHFFFAOYSA-N 358.300 2.545 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H]4CCOC4=O)c1)[C@@H](C2)C3=O 587450740 GBFJYISCOUNZHM-YRNRMSPPSA-N 366.369 2.878 0 1 FFAF Cc1ncc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)c1Br 586979342 XBQPJOZXVJTASN-UHFFFAOYSA-N 353.611 2.812 0 1 FFAF C[C@H](C(=O)O)n1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587558886 VBIVKNJGRMYHEJ-SECBINFHSA-N 350.334 2.703 0 1 FFAF CCOC(=O)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352349 WZQITBWWPXEYHC-OXQOHEQNSA-N 372.348 2.781 0 1 FFAF CCOC(=O)[C@H]1CN(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517899 WWTFQAMHJCVNHM-DYESRHJHSA-N 357.450 2.784 0 1 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CC[C@@H](O)C1 13449188 CMEJZCCOTAAGJD-LSDHHAIUSA-N 371.308 2.984 0 1 FFAF C[C@](O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730903 INVDAXJKYDQCMS-IBGZPJMESA-N 362.424 2.565 0 1 FFAF C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162493 ZYJCMELXLDUBCU-VVUMFWKYSA-N 358.390 2.534 0 1 FFAF biogenic,in-vitro Cc1ccc(-n2nc(C3CC3)cc2NC(=O)c2cnn3cccnc23)nc1 204754871 AUFYAGRTMBOLFB-UHFFFAOYSA-N 359.393 2.748 0 1 FFAF Cc1ccc(Cn2c(N)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 585143 WPGHRGBDZSKKAX-UHFFFAOYSA-N 350.348 2.850 0 1 FFAF COC(=O)C[C@@]1(CC=C(C)CCC=C(C)C(=O)OC)C[C@H](O)CCC1=O 2356347467 SMSSMOBWKOFJTJ-OXQOHEQNSA-N 366.454 2.886 0 1 FFAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356407790 LCESTORIXPKFIW-TWJOEITPSA-N 366.413 2.644 0 1 FFAF CCc1nn2c(O)cc(C[C@@H]3CCC(=O)N3)nc2c1-c1ccc(F)cc1 103525979 JYVJLMQXSJYIAL-ZDUSSCGKSA-N 354.385 2.625 0 1 FFAF CCN1CCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)CC1 58130759 AGSZVUGYGCROKZ-UHFFFAOYSA-N 361.511 2.920 0 1 FFAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(CO)cc1 117587376 GSYRQTYVIFIEAJ-UHFFFAOYSA-N 355.438 2.690 0 1 FFAF O=C(CCc1ccccc1)c1cccc(OC[C@H](O)CN2CCOCC2)c1 28636839 OPTCSGCPBTURPY-HXUWFJFHSA-N 369.461 2.574 0 1 FFAF Cc1cc(NC(=O)C(=O)c2cn(Cc3nccn3C)c3ccccc23)no1 29416579 KYEKKJUEJGDNBT-UHFFFAOYSA-N 363.377 2.541 0 1 FFAF CCC=C(C)C=CCC(C)=C[C@H](OC(C)=O)C(=O)N1CC[C@H](O)[C@H]1OC 2356857003 SFNSKDBKWXOASY-CMKODMSKSA-N 365.470 2.733 0 1 FFAF N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@@H]1C[C@]1(F)C(=O)O 35814664 HVYIQBGXHPRJMO-AHRSYUTCSA-N 371.364 2.909 0 1 FFAF COc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1-c1cn[nH]c1 221707258 LWMGXEAOAQXWQY-UHFFFAOYSA-N 351.362 2.744 0 1 FFAF COC12CC3C[C@@H](C1)C(CC(=O)N1CC(O)C1)(c1ccc(F)cc1)[C@@H](C3)C2 145919777 AVSPWVIWVZFZOT-ZLCDEWQPSA-N 373.468 2.882 0 1 FFAF COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1[C@@H](N(C)C=O)CC2 238773095 XHONPTKYACVOQB-KRWDZBQOSA-N 369.417 2.815 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)C1=CC=N[C@@H](N2CCCCC2)C1 261186059 XLIWANCJXZCUII-OALUTQOASA-N 369.465 2.840 0 1 FFAF COC(=O)c1cc2cc(-c3ccc(OC)cc3)n(OC)c2cc1C(=O)OC 653846221 LRLUWRQSJMOAPC-UHFFFAOYSA-N 369.373 2.949 0 1 FFAF COC(=O)c1cc(OC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC 587945993 QXAXSKSGWLCDPL-UHFFFAOYSA-N 371.368 2.801 0 1 FFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 587125043 OYVFVKBGSYNSFD-PWCHPLFNSA-N 351.336 2.898 0 1 FFAF COc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 1772630898 ZUNCLGAPQBIVCJ-UHFFFAOYSA-N 353.374 2.870 0 1 FFAF COc1cc2oc(C)cc(=O)c2c2c1C[C@@H](C)[C@@]1(C[C@@H](O)C[C@H](C)O1)O2 13385307 MHQCFVVDBXCFCK-SKNNYEEJSA-N 360.406 2.937 0 1 FFAF biogenic,in-vitro COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C 13746081 SKTOAOYIXAAFCQ-RUZDIDTESA-N 356.451 2.650 0 1 FFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)C1CCC1 2356320453 IKVDYCUBXDJEJH-GGPKGHCWSA-N 370.449 2.709 0 1 FFAF CNC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 6841895 RHSJPZFENGZARU-LLVKDONJSA-N 351.834 2.505 0 1 FFAF C[C@H](c1ccccc1)n1[nH]cc2nc(C(C)(C)CN3CCOCC3)nc1-2 103585812 VMQJIKRYZWBXAR-OAHLLOKOSA-N 353.470 2.930 0 1 FFAF CC(=O)O[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O 2356481980 DDRUVFKWNXGBTK-YNGRWOSQSA-N 354.450 2.790 0 1 FFAF CCC(=O)SCC(=O)N1CCS[C@@H]1COc1ccccc1OC 27564564 PIFLHSDPLPNODE-OAHLLOKOSA-N 355.481 2.645 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@H](O)C=C[C@H]1C 2356808793 AKEHVDXXBSMJCT-FZFIFKDPSA-N 354.487 2.740 0 1 FFAF CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)cc1 36384015 YXEFZQZQPSGTSQ-HXUWFJFHSA-N 359.514 2.935 0 3 FFAF N[C@@H]1CSCON2CCc3c([nH]c4cc(Br)ccc34)[C@@H]12 15209805 DBJUZIDWYRVTSZ-BXUZGUMPSA-N 354.273 2.793 0 1 FFAF biogenic COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1O 14436784 PLORYRPFPGAIDS-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic C/C=C(/C)C(=O)OCC(O)(COC(=O)/C(C)=C\C)c1ccc(C)cc1O 225819262 YOHOPTQLMXBXDB-LRSUZXNRSA-N 362.422 2.907 0 1 FFAF biogenic CC(C)C[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 149238505 RPNDWSSILQGAHV-LBPRGKRZSA-N 373.375 2.530 0 1 FFAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F 261084214 CGZVQSPAVOGIDV-LMKPVCQUSA-N 367.442 2.817 0 1 FFAF CS(=O)(=O)c1cccc(-c2ccc3nnc(-c4ccccn4)n3c2)c1 653767517 RHYQAZYUYKZCQS-UHFFFAOYSA-N 350.403 2.862 0 1 FFAF Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586946339 KJMWZMJLPMNVJG-OAHLLOKOSA-N 371.462 2.996 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 586930233 IEEHWMRMQWFSMS-UHFFFAOYSA-N 373.434 2.959 0 1 FFAF COC(=O)c1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cn1 587245239 QWTBSBWGBRTBSN-UHFFFAOYSA-N 353.382 2.791 0 1 FFAF COc1cccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521163 AVFIESDUBFLPBF-OAQYLSRUSA-N 354.402 2.745 0 1 FFAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)c(O)c2[nH]1 587249331 HWDCAOATPHAUET-UHFFFAOYSA-N 362.183 2.902 0 1 FFAF O=C(Cn1cc2c(n1)CCCCC2)NC1CCN(Cc2ccccc2)CC1 5148777 LXXPXDFZUMNNKH-UHFFFAOYSA-N 366.509 2.933 0 3 FFAF CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 11819011 VJNSVQLTBMYMAV-AWEZNQCLSA-N 354.454 2.703 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)C1=C[C@@H]1O[C@@H]1[C@@H]32 13454943 DHKHOBTXWBNDOQ-IKBGGZFKSA-N 356.374 2.551 0 1 FFAF biogenic CCOC(=O)C[C@@H]1O[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 169293900 JRDPYMUGXIWUEZ-ZACQAIPSSA-N 367.467 2.606 0 3 FFAF CCc1cc(CNC(=O)c2ccc(OC)c(O[C@@H](C)CN(C)C)c2)on1 169303138 AAEILPPCGJDJPT-ZDUSSCGKSA-N 361.442 2.505 0 1 FFAF O=C1O[C@@](CO)(COC(=O)c2ccc(Cl)cc2)C/C1=C\c1ccccn1 1857760795 OMTMFLTXXIJRAC-JNMQVBFRSA-N 373.792 2.653 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(=O)C(C)C 29323451 MSCZCXPVLRFFCL-UHFFFAOYSA-N 369.893 2.598 0 1 FFAF CC(C)C1=C[C@H](O)[C@@](C)(O)CC[C@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356470006 KTSWSNYADQZTSZ-QGZVKYPTSA-N 352.471 2.638 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC[C@@H]4CCOC4)ncc23)ccn1 219756647 YEEUJKOGKFFFRY-CYBMUJFWSA-N 366.425 2.876 0 1 FFAF O=C(OCC1=CC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 14489388 KTTMZEVXOJGXQS-RTBURBONSA-N 350.370 2.926 0 1 FFAF biogenic O=C(O)[C@@H]1Cc2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N1 14514696 IBHBIKWTFZCSOF-HNNXBMFYSA-N 361.357 2.907 0 1 FFAF biogenic CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 45321359 WSFPEOPUUJFNEF-LRSLUSHPSA-N 371.569 2.967 0 1 FFAF CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 95794069 UYIMSXLQNLUOCG-PMACEKPBSA-N 370.880 2.901 0 1 FFAF CNC(=O)c1cccc(C2=NCc3cc(C)nc(OC4CCOCC4)c32)c1 96176052 DZEQLLLOCZQURZ-UHFFFAOYSA-N 365.433 2.658 0 1 FFAF CC(C)=CCN1C(=O)[C@@H]2CCCN2C(=O)[C@H]1Cc1c[nH]c2ccccc12 38962675 QPBWZQKYJJYRHK-RBUKOAKNSA-N 351.450 2.878 0 1 FFAF biogenic Cc1noc(-c2nc(C)c3c(c2N)C(=O)N([C@@H](C)c2ccccc2)C3=O)n1 653748019 USBPUPIUEXQZSF-JTQLQIEISA-N 363.377 2.688 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 586920955 AMYMFLUEUHLHPR-UHFFFAOYSA-N 360.435 2.965 0 1 FFAF CCCOc1cc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br 587236133 SVPYFZFMYRBUDA-BDAKNGLRSA-N 352.232 2.964 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCN(C)C1=O)[C@@H](C2)C3=O 587435005 CTKKJQJZTNTJQJ-HYFFOGBASA-N 363.413 2.816 0 1 FFAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCC1 587568353 BVLRYDUPFHKOGO-IAGOWNOFSA-N 353.374 2.639 0 1 FFAF COc1ccc2c(c1)NCC[C@@]21NCCc2ccc(C(=O)N(C)C)cc21 962929937 JMGMWUMBQVTFIJ-OAQYLSRUSA-N 351.450 2.602 0 1 FFAF C[C@]1(c2cccnc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962701500 RDMOLYQTHXMNCM-CZUORRHYSA-N 370.302 2.808 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3COc4ccccc4C3)ncc12 1772648079 GAZFCAHUKYHXCT-LBPRGKRZSA-N 352.398 2.515 0 1 FFAF O=[P@@]1(Oc2ccccc2)C[C@@H](O)[C@@H](O)[C@H](COCc2ccccc2)O1 12466707 XAGKYQFKXRVBOD-YPDQXUDRSA-N 364.334 2.596 0 3 FFAF OCc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn2c1 13438686 SAPCLYRXCUDCRV-UHFFFAOYSA-N 356.857 2.802 0 1 FFAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)c(O)c1)C(F)(F)F 13760212 UNUVKEQXOBHOEQ-MRXNPFEDSA-N 353.296 2.875 0 1 FFAF COc1c(O)c2c(c3c[n+]4c(cc13)-c1cc3c(cc1CC4)OCO3)OCO2 14488235 IZNDMJPHGVAHPC-UHFFFAOYSA-O 366.349 2.522 0 1 FFAF COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 169298680 FIBTWTLJSKPPQB-NCVKVGMYSA-N 370.445 2.780 0 1 FFAF CC(C)[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(C(=O)NO)cc1 206142076 HCWWRBZVJKBTNV-QGZVFWFLSA-N 367.405 2.799 0 1 FFAF NCCCCN(Cc1cc(Cl)ccn1)C[C@H]1Cc2ccccc2CN1 1857636378 JQOSTHWRSSVYQA-LJQANCHMSA-N 358.917 2.990 0 1 FFAF Cc1cc(C(=O)N2CCOC[C@@H](Oc3cccnc3)C2)c(C(F)(F)F)o1 2356445158 XFMAQXWNHRDTHH-ZDUSSCGKSA-N 370.327 2.922 0 1 FFAF Cc1ccc(Sc2cncc3sc(C(=O)NC[C@H](O)CO)cc23)cc1 3941687 BIPSSPQUWRNOHP-LBPRGKRZSA-N 374.487 2.839 0 1 FFAF CCN(CC)C(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=S)[nH]c2c1 103390460 FMOBTOPJBZEVIS-ZDUSSCGKSA-N 361.467 2.720 0 1 FFAF C[C@@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1C(=O)O 2356483112 WYPBFWKSQCZTAI-VYQVILLPSA-N 352.390 2.617 0 1 FFAF O=C1c2cc3c(cc2OCN1CCc1ccccc1)C(=O)N1CCC[C@@H]1O3 72124865 GZKRPPGNBYRVCD-IBGZPJMESA-N 364.401 2.676 0 1 FFAF CN[C@@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(OC)c(=O)cc21 13434588 KEOVUWFJHROWNK-CQSZACIVSA-N 357.406 2.652 0 1 FFAF biogenic COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82145052 JARDEKYYWSZDOS-UHFFFAOYSA-N 354.454 2.819 0 1 FFAF C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 40952284 JGGPTYWFHCPTGA-BUXKBTBVSA-N 351.360 2.832 0 1 FFAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)c1 238782055 TYJYBYSNFUCICQ-MJGOQNOKSA-N 360.406 2.544 0 1 FFAF COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1[C@]21N=C(N)N(C)O1 141215467 IEYWHHBYAYMNOD-RGKRWLCDSA-N 359.470 2.950 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CC(F)(F)F 95600930 UFWFQEFONBLITG-HNNXBMFYSA-N 353.348 2.679 0 3 FFAF CC(C)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1 96064910 FORATGYRGRHDRG-NSISKUIASA-N 353.466 2.739 0 1 FFAF CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H]3OC(=O)[C@@H]1[C@@]32C 238751436 IRRGZHQOVQRPSV-NAVRYCPRSA-N 362.422 2.548 0 1 FFAF COc1ccc(OCC(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401134 QHLMLDRXTWJERT-QGZVFWFLSA-N 357.362 2.756 0 1 FFAF CCOC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587833765 IAUXKLCXCBQQJA-HCYDYPBKSA-N 372.234 2.527 0 1 FFAF OCCc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008831 PDWVJIRQNDTWEO-UHFFFAOYSA-N 358.199 2.570 0 1 FFAF COC(=O)CCn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587390318 MDMOPFDDJKVNQX-MRXNPFEDSA-N 357.410 2.660 0 1 FFAF Cc1c(C)c(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O 587945935 PPJCVMHZFJCQEY-UHFFFAOYSA-N 374.397 2.975 0 1 FFAF COc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OC 963465391 CFIWWZKCYCLLSQ-VBKZILBWSA-N 357.406 2.580 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@@]3(C(=O)O)c1cc(F)ccc1F 963066026 LDBOEQQWPNYIBM-FQEVSTJZSA-N 370.355 2.996 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(=O)oc2ccc(Cl)cc12 1772654632 DBEYRDKEHHYVBA-HNNXBMFYSA-N 362.769 2.637 0 1 FFAF CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)c2ccccc2)C1 1772582038 JNOPCQSOHNYICW-OKILXGFUSA-N 356.451 2.647 0 1 FFAF CC(=O)O[C@H]1C[C@H]2[C@H](C)[C@@H](OC(C)=O)C/C(=C(/C)COC=O)[C@H]2C=C1C 13381103 CGWKVECDFVHISA-HZTVHHFSSA-N 364.438 2.962 0 1 FFAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C2CCCCC2)CC[C@]314 169347665 NTRNFOZMJHPTHK-HIFDQRORSA-N 353.462 2.901 0 1 FFAF CN(C)CC[C@](O)(c1ccccc1)[C@@](O)(CCN(C)C)c1ccccc1 1629520 HYNGDQGXSYCJPT-SZPZYZBQSA-N 356.510 2.665 0 1 FFAF Nc1nc(N)c2cc([S@@](=O)c3c(F)c(F)cc(F)c3F)ccc2n1 59720575 ASZBQYJPVHEQKI-DEOSSOPVSA-N 356.304 2.517 0 1 FFAF CCN1CCC[C@@H]1CNC(=O)c1cc(Br)c(OC)cc1OC 26388906 YDOSDFAGGFOMLV-LLVKDONJSA-N 371.275 2.680 0 1 FFAF CCC[C@H](C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12 27196584 RYGQFSKYKSZFMX-LBPRGKRZSA-N 374.437 2.612 0 1 FFAF O=C(CSc1nccc(-c2ccncc2)n1)NCCc1ccccc1 105143074 WGRMXCOGQZXAFU-UHFFFAOYSA-N 350.447 2.990 0 1 FFAF COc1ccc(-c2n[nH]nc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 66259223 OYWWZFQHGKYZLU-UHFFFAOYSA-N 369.377 2.737 0 1 FFAF CCOC(=O)Cc1n[nH]c([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1 27440784 CTTCSHXBGBJJNV-AWEZNQCLSA-N 374.441 2.719 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](CC3CCCCC3)C2=O)cn1 115731574 HPNLTALDYBYGNU-QGZVFWFLSA-N 371.441 2.931 0 1 FFAF COc1ccc2c(c1)c(CCN(C)C)c1n2S(=O)(=O)c2ccccc2-1 38895000 QNPXKWNLROHCNC-UHFFFAOYSA-N 356.447 2.971 0 1 FFAF CCCN([C@@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br 72138150 MEMOCDMVYWZIJT-ZDUSSCGKSA-N 364.305 2.867 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccccn3)nn2)ON1C 73199869 YILSWFLHAMIHBK-HUUCEWRRSA-N 367.346 2.698 0 1 FFAF COc1c2c3c(c(OC)c1OC)-c1cc4c(cc1C[C@H]3NCC2)OCO4 14652944 BRFSQLJZEXODAM-CYBMUJFWSA-N 355.390 2.851 0 1 FFAF biogenic COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO 95877913 MNEPSXDACLWTKA-XJABCFGWSA-N 366.461 2.700 0 1 FFAF C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 95554453 ZYGKDTVQLQKVQI-LKGLNUNZSA-N 352.471 2.590 0 1 FFAF CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255285567 YVKJIENODNSQSU-BXFVGNANSA-N 350.499 2.825 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1 299835561 WJLXVWHIKZULBT-UHFFFAOYSA-N 368.422 2.717 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCOCC4)o1)[C@@H](C2)C3=O 587445950 ZNCQDIXTOZLORN-MGPUTAFESA-N 355.390 2.609 0 1 FFAF Cc1nn(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1Br 586978905 LGCLRDWAHFQMKO-UHFFFAOYSA-N 361.203 2.769 0 1 FFAF COC(=O)Cc1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587782959 BEVRWRGMSKRYBV-UHFFFAOYSA-N 365.433 2.778 0 1 FFAF Oc1cc(O)nc(SCc2nc3ccc(Br)c(F)c3[nH]2)n1 586967101 USFYMATXZGYRIN-UHFFFAOYSA-N 371.191 2.958 0 1 FFAF CCCn1nc(C)cc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225256 JJBCNIZPLHASGT-IEBWSBKVSA-N 350.422 2.838 0 1 FFAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12C=C[C@@H](O)OC2 961778795 SELPDOFKLLRWCD-UWJYYQICSA-N 372.465 2.938 0 1 FFAF Cc1nc(N)nc(N)c1CN1CCN(c2cccc(-c3ccccc3)c2)CC1 1772620442 LCALFSRZWYZVNO-UHFFFAOYSA-N 374.492 2.939 0 1 FFAF Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 11666269 NPYSZFUOCGMERV-HNNXBMFYSA-N 357.410 2.666 0 1 FFAF CCC[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759696 COMOYSAYNXMJSY-GFCCVEGCSA-N 359.480 2.850 0 1 FFAF O=C1c2[nH]ncc2[C@@H]2CCC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1 169339676 ODSMHUDVEWNHJT-STQMWFEESA-N 351.815 2.544 0 1 FFAF O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1ccccc1 167679965 ZHQQIVQDBKEVLM-UHFFFAOYSA-N 360.417 2.887 0 1 FFAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncc(Cl)c(O)n1 1857616400 MKZKCVLOUKVQPO-UHFFFAOYSA-N 369.812 2.528 0 1 FFAF NCCCCNC(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1 42190869 IHMRQAKZJBZCIN-UHFFFAOYSA-N 362.437 2.751 0 1 FFAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3nccn3C)C2)O1 96018974 NJEARNOSAHQGSG-PXNSSMCTSA-N 362.518 2.582 0 3 FFAF O=C(O)c1cccc(Cl)c1O[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 96939190 OOFJHYWNJKMADZ-MIJXAVMKSA-N 353.802 2.648 0 1 FFAF NC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005862 WTSAVQYRNQBYQP-UHFFFAOYSA-N 352.579 2.535 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1Cl 587065672 XEALTSDJLUMFPQ-UHFFFAOYSA-N 361.833 2.837 0 1 FFAF COC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1OC 587158330 WJRBAKJONHXMDI-CWTRNNRKSA-N 355.369 2.839 0 1 FFAF COC(=O)c1sc2ncc(-c3ccc4c(O)nc(O)nc4n3)cc2c1C 587563351 GJIIVHABEBXXQB-UHFFFAOYSA-N 368.374 2.808 0 1 FFAF Cc1cc2[nH]c(-c3nccnc3I)nc2c(C)n1 587186004 CVAZTCUDALKYEG-UHFFFAOYSA-N 351.151 2.636 0 1 FFAF Cc1nccc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 586955688 SCKBNVIPMHLLGK-UHFFFAOYSA-N 362.842 2.981 0 1 FFAF Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCC1=CCCCC1 12468838 DDTVXKTZHCQQEA-HXUWFJFHSA-N 369.509 2.692 0 3 FFAF O=C1CC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)NN1 205736858 OBINTNUXOPJTDT-CQSZACIVSA-N 352.419 2.685 0 1 FFAF COc1cccc(Cn2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1 4238655 XFKAOVCSJQZYCY-UHFFFAOYSA-N 359.389 2.987 0 1 FFAF aggregator NC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(C2CCCCC2)[nH]1 1857583286 ORHAEWIQYOTXFO-UHFFFAOYSA-N 353.426 2.967 0 1 FFAF COc1ccc([C@H]2C(=O)NC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 1857760425 KNJVDOCKBBRPTC-INIZCTEOSA-N 372.377 2.519 0 1 FFAF CCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1F 3020756 CKNWVAZGMVTSJK-BETUJISGSA-N 356.463 2.632 0 1 FFAF CCOC(=O)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 28244405 HGNUDXSUAGLOQW-UHFFFAOYSA-N 365.315 2.785 0 1 FFAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1 27892602 INQTWJVQCZWRGV-UHFFFAOYSA-N 350.783 2.667 0 1 FFAF CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)Cc2ccc(F)cc2)cn1 74387767 LNOWRRYMCFJRNN-UHFFFAOYSA-N 360.433 2.711 0 3 FFAF Oc1cc(O)cc(Oc2c(O)cc(O)c(-c3c(O)cc(O)cc3O)c2O)c1 15218829 LQXJIYAJCPWADH-UHFFFAOYSA-N 374.301 2.791 0 1 FFAF biogenic O=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2ccccn2)C1 226002295 IVLGRNZGYCOGBS-UHFFFAOYSA-N 357.776 2.653 0 1 FFAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435716 DLPLCHOAGMCBOI-WBVHZDCISA-N 372.428 2.565 0 1 FFAF biogenic CC1=C2[C@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@H](O)[C@H]2O)OC1=O 238771799 UBMHMIZHPPOKIP-NJLKZEKWSA-N 350.455 2.654 0 1 FFAF COc1cc([C@@H]2NC(=S)Nc3c2c(=O)oc2ccccc32)ccc1O 96931728 OZLRLQBGVFLPTD-HNNXBMFYSA-N 354.387 2.897 0 1 FFAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccs1 95604310 RGCYAOXGGYUANV-GOSISDBHSA-N 360.504 2.899 0 3 FFAF Cc1cccc(NC(=O)c2cc(O)c3cccc(NS(C)(=O)=O)c3n2)c1 95586350 DBZMMEBCYLALMC-UHFFFAOYSA-N 371.418 2.873 0 1 FFAF CCn1nccc1Oc1cc(C[C@H]2CC[C@H](O)CC2)cnc1NC(=O)NC 299839677 TVECBCSUBQOPBW-CTYIDZIISA-N 373.457 2.935 0 1 FFAF Cc1ccccc1CNC(=O)C1CCN(c2ccnc3nsnc23)CC1 299822387 QLLVKKOUKQHIIM-UHFFFAOYSA-N 367.478 2.928 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[C@@H](N)C(=O)O)(c1ccccc1)O2 587389259 JOCRSRMUYXIMTQ-QRWLVFNGSA-N 354.406 2.630 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=N)N)cc2[nH]1)C[C@H]1CCCO1 587196966 DQNUWMFKQAQGMR-CYBMUJFWSA-N 373.457 2.763 0 1 FFAF CC(=O)NC1(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CCC(C)CC1 587234587 QAVQPNAZDJINFI-UHFFFAOYSA-N 369.513 2.856 0 1 FFAF COc1ncc(Br)nc1-n1ncc2ccc(Cl)cc2c1=O 587650972 JTSLAALDAXWLOL-UHFFFAOYSA-N 367.590 2.600 0 1 FFAF CC(C)(CCc1ccccc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 39400877 WAOVOGVFRYXZSG-GOSISDBHSA-N 370.449 2.758 0 1 FFAF Nc1ncnc2c1ncn2[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 13743489 IEFYLJBVHTZKEA-CHWSQXEVSA-N 356.817 2.586 0 1 FFAF CC(C)CN1C[C@@H](C)[C@H](c2nc(O)c3cnn(C4CCOCC4)c3n2)C1 1857651340 HIKKDJAUKBEIOR-CZUORRHYSA-N 359.474 2.575 0 1 FFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCC1CC1 2356287118 CLKDDOJGSFAXNU-QWFCFKBJSA-N 360.429 2.931 0 1 FFAF COc1ccc(C(=O)NC[C@@H](O)CO)cc1/C=C/c1ccc(Cl)cc1 59754748 FRFTWFWYLIBTEB-WAUBUAMCSA-N 361.825 2.602 0 1 FFAF COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(F)cc1F)c(=O)n2C 100816534 KYLCUIKSNXNVOO-UHFFFAOYSA-N 374.343 2.808 0 1 FFAF O=C(Nc1ccccc1)C1=CC2=N[C@@H](C3CC3)C[C@H](C(F)(F)F)N2N1 104008506 ONYXXGBVDIBREY-TZMCWYRMSA-N 350.344 2.841 0 3 FFAF C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(N)=O)[C@H]2[C@H]1CC[C@@]34CO 2356544302 KJPPAWUWLMKICL-UFVPUTFFSA-N 358.526 2.707 0 1 FFAF c1ccc(COc2ncnc3c2ncn3CCCNCc2ccccn2)cc1 61936009 IQRZWQVHIPYUQD-UHFFFAOYSA-N 374.448 2.980 0 3 FFAF CN(C)CCN1C(=O)c2cccc3c(NCCCCCO)ccc(c23)C1=O 73219003 IPIFEVPDFIVBOF-UHFFFAOYSA-N 369.465 2.572 0 1 FFAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141874 BKMHTNFIQXIDKD-GOEBONIOSA-N 370.453 2.882 0 1 FFAF CN(C)CCN1CCN(c2cccc(-c3cccc4cccnc34)n2)CC1 45322525 APRXREQTHAGNPL-UHFFFAOYSA-N 361.493 2.980 0 1 FFAF COC(=O)[C@@]12C[C@H]3C[C@H]4[C@@H]1N(CCc1c2[nH]c2ccccc12)[C@@H]3O[C@@H]4C 238741000 MDHKVGLGYPUXIL-UXAUPZPESA-N 352.434 2.590 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(C)=O)cc1 95895114 ZOZCRGVIGAMXOJ-PTYVEZRFSA-N 365.477 2.580 0 1 FFAF C[C@]12C3=CCC[C@@H]1O[C@@](C)([C@@H]1C[C@H](c4ccoc4)O[C@@H]1O)C[C@@H]2OC3=O 85950961 ZTZQURAKDHKLSW-VNFHWRPASA-N 360.406 2.875 0 1 FFAF biogenic COC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1OC 587158332 WJRBAKJONHXMDI-HXPMCKFVSA-N 355.369 2.839 0 1 FFAF COC(=O)CC[C@@]1(c2ccccc2N)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434024 ZZNMHNWOTHSMMX-VFNWGFHPSA-N 367.401 2.874 0 1 FFAF CCOc1ccccc1[C@](N)(c1nc2ccnc(O)c2[nH]1)C(F)(F)F 587091883 HJMKMLPSNOHLGK-HNNXBMFYSA-N 352.316 2.827 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(C1C(=O)OC(C)(C)OC1=O)CC2=O 587484368 TUAZVMPBOZQGOQ-LJQANCHMSA-N 362.378 2.521 0 1 FFAF Nc1ncnc2c1c(Nc1cccc(Cl)c1)nn2CC1CCNCC1 1772572001 IJJLABCMFRRRHJ-UHFFFAOYSA-N 357.849 2.805 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@H]2CO)ccc1O 15152835 KUSXBOZNRPQEON-SHKKPHNISA-N 358.390 2.625 0 1 FFAF endogenous,in-man COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)N2 169317405 GPTFOAJWBIXTMY-CRWXNKLISA-N 371.218 2.688 0 1 FFAF Cc1ccc(-n2cc(CCO)nn2)cc1Nc1nccc(-c2cccnc2)n1 207316485 XJZITTBHMAXRAR-UHFFFAOYSA-N 373.420 2.706 0 1 FFAF C[C@H](O)CCNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 1656562 QRYWFMRLAMIRKB-JTQLQIEISA-N 369.343 2.953 0 1 FFAF CC1=C[C@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@]32[C@@]2(O)C[C@@H](O)C[C@@H]12 2356328686 YRFACIIPVMVLPW-UAWQGFCASA-N 359.510 2.808 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@H]3CC)ccc21 6729046 LQYMNZYEXIWDGL-OAHLLOKOSA-N 350.484 2.939 0 3 FFAF CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103178801 PDXPUILNDBSZBP-VFADXPBXSA-N 357.410 2.949 0 1 FFAF COc1cc2c(cc1OC)CC(=O)N(Cc1ccc(C(=O)O)cc1)C=C2 103436303 ZDLWZVCWOWCUGO-UHFFFAOYSA-N 353.374 2.958 0 1 FFAF Cc1nc(OC(C)C)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247201 OCEDENDWAWLMJA-OOUWYADOSA-N 350.484 2.908 0 1 FFAF COc1ccc(C(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)cc1 2356299521 JXVDQSIYQJNGCT-NSHDSACASA-N 367.361 2.934 0 1 FFAF NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1NCc1ccccc1 28641205 AUGPXTQHKRLUFB-UHFFFAOYSA-N 363.421 2.548 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2cn(C[C@H]3CCc4ccccc43)cc21 26575347 DRMYLCIQBOMGHW-MRXNPFEDSA-N 351.450 2.888 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c(OC)c1 74377958 VTTPFYFIAXNGRG-IEBWSBKVSA-N 366.417 2.887 0 3 FFAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1 220757946 KHYXZFXTCZPFKO-UHFFFAOYSA-N 365.408 2.972 0 1 FFAF CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2cccc(C)c2)n1 82173856 RVFJYCNFXFLGER-UHFFFAOYSA-N 351.410 2.963 0 1 FFAF CCCCOCCCNC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 82071937 WRHVJZWMERBAAC-UHFFFAOYSA-N 373.453 2.703 0 1 FFAF CC1(C)OCc2c(Nc3n[nH]c4c3CCCC4)nc(-c3cn[nH]c3)nc21 653690488 CVENWNABVTUKRE-UHFFFAOYSA-N 351.414 2.978 0 1 FFAF COc1cc(-c2[nH]nnc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 653788034 QSNBBKGBXARLEA-UHFFFAOYSA-N 355.350 2.893 0 1 FFAF CCOC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800434 WZHSFVNRVGPLIE-QFYYESIMSA-N 374.250 2.917 0 1 FFAF CCC1=C(C)N[C@H]2N(CCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O 587396158 XBWNDZSPVWDUGZ-VQTJNVASSA-N 355.438 2.517 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(c4ccoc4CC[C@@H]1CC(=O)O)[C@@H](C2)C3=O 587454974 HHVOWLGGWAVUHC-FYYVMTAXSA-N 354.358 2.968 0 1 FFAF COC[C@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755975 CEPLZZIOVAGXAO-QLJPJBMISA-N 368.250 2.746 0 1 FFAF COC(=O)C(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587385195 MTCTYGNGFDVTQG-FQEVSTJZSA-N 371.364 2.709 0 1 FFAF N=c1[nH]ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587145005 UKHKSPUUTRBBMC-JTQLQIEISA-N 350.195 2.515 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(C)n1 587863241 VZDLLZZXINRTOU-UHFFFAOYSA-N 350.300 3.000 0 1 FFAF Oc1nc(O)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2n1 587077081 QNQKTPCBILQWRF-UHFFFAOYSA-N 355.741 2.852 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncccc12 587592862 HWWVBTGKLLVJAS-MGPUTAFESA-N 360.325 2.596 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C1)CC2=O 587485766 QUTZTCOPXJVATI-VVKHRNTRSA-N 359.422 2.521 0 1 FFAF COc1cc2c3c(c1)O[C@](C)([C@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O 587453753 GURDXVXJZKDXER-XPIZARPCSA-N 350.370 2.983 0 1 FFAF Cc1ccc(CSCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586971160 NUWKFPYQZSSBQB-UHFFFAOYSA-N 361.492 2.995 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cncnc2[nH]1 587000874 MKORVISOXZJOKI-NSHDSACASA-N 357.215 2.839 0 1 FFAF NS(=O)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCCC2)cc1 215565376 KPOFRWYZAASAIZ-WOJBJXKFSA-N 372.490 2.865 0 1 FFAF CC(=O)N1CC[C@@H](Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)C1 1772636173 WPFLVSFRUISTGP-CYBMUJFWSA-N 357.435 2.895 0 1 FFAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 12917254 LMFDKCSDDVFKPH-SQWLQELKSA-N 374.510 2.795 0 1 FFAF COC(=O)C1=CO[C@@H](C)[C@H]2C=[N+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 13826677 GLAUMTZDPSIAGG-XJTZBENFSA-N 351.426 2.960 0 1 FFAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3nc(C)c[nH]3)no2)cc1 15936447 OSPAGLLCPZLIGV-UHFFFAOYSA-N 368.393 2.760 0 3 FFAF O=C(Nc1ncccc1OCc1ccccc1)c1cnc2ccccn2c1=O 169313144 YRDAMPBHKCRCEU-UHFFFAOYSA-N 372.384 2.921 0 1 FFAF O=N[C@H]1CCc2cc(-c3cn(C(CO)CO)nc3-c3ccncc3)ccc21 169686119 HVPGJUNTQVBAGO-IBGZPJMESA-N 364.405 2.892 0 1 FFAF Cc1nc(C(C)(C)NC(=O)c2ccc(Cl)c(OCC3CC3)n2)no1 206696913 SSHOENMUNJFVFX-UHFFFAOYSA-N 350.806 2.880 0 1 FFAF COC1=CC(=O)O[C@@H](c2coc(C(=Cc3ccc(Cl)[nH]3)CO)n2)[C@H]1C 2356409122 ZFKNRTLKFAAYBN-XXFAHNHDSA-N 364.785 2.953 0 1 FFAF COc1ccc(-c2cc(NC(=O)N[C@@H](C)C(=O)O)c(C(=O)O)s2)cc1 103291424 VCXKNUULAUUNCH-QMMMGPOBSA-N 364.379 2.717 0 1 FFAF CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@@H]1CCO 61943239 GAOOXLBLYIYKGW-QYBDOPJKSA-N 374.506 2.598 0 3 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@H]3C[C@@H]12 2356481701 YWULOMNQOWMRFL-MKQDBYMYSA-N 368.433 2.884 0 1 FFAF O[C@@H]1C[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(CC2CC2)C1 2356847045 OTDLWYJTQXSGAD-UKRRQHHQSA-N 351.809 2.971 0 1 FFAF O=S(=O)(c1ccccc1F)c1cn([C@@H]2CCCNC2)c2ncccc12 28862355 RBISNFWRLAJWTP-CYBMUJFWSA-N 359.426 2.933 0 1 FFAF COc1c(O)cc(-c2oc3cc(O)c(C)c(O)c3c(=O)c2OC)cc1O 14437981 PDQBGPYEIJEFRK-UHFFFAOYSA-N 360.318 2.608 0 1 FFAF biogenic O=C(O)CS(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 40504933 PJEOJTWNRCXIPG-UHFFFAOYSA-N 372.402 2.640 0 1 FFAF COc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)ccc2o1 40938166 DNMQAMAPWVVIDP-UHFFFAOYSA-N 360.417 2.808 0 1 FFAF CCCCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O 43072095 GHSVHRCIOKJBMI-UHFFFAOYSA-N 370.453 2.780 0 1 FFAF CCCc1nn(C)c2c(=O)nc(-c3ccc(O)c(OC(F)F)c3)[nH]c12 84688036 TUNKJQZXHCNJIX-UHFFFAOYSA-N 350.325 2.583 0 1 FFAF Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1nccs1 40935350 LCNYRHFHVDPCHQ-UHFFFAOYSA-N 357.391 2.834 0 1 FFAF COc1cccc(-c2cnc(N)c(-c3nnc(C4CCNCC4)o3)c2)c1 142833890 WMBKIBJNGAEFNA-UHFFFAOYSA-N 351.410 2.856 0 1 FFAF CC1(C)Oc2ccc(-c3cc(F)ccn3)cc2[C@]2(COC(N)=N2)C12COC2 149409929 UNACISPQELMJNE-HXUWFJFHSA-N 369.396 2.616 0 1 FFAF CC(C)n1ccc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)n1 147854372 WWZSHUQNXOKKIA-UHFFFAOYSA-N 351.410 2.805 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(C)=O)N(Cc3ccccn3)[C@H]2CO)cc1 95895000 ZOZCRGVIGAMXOJ-MGXOZPMESA-N 365.477 2.580 0 1 FFAF c1ccc(C[C@H]2CCC3(CCN(c4ncnc5[nH]cnc45)CC3)NC2)cc1 96910998 YKKDWWUEJJZKOW-QGZVFWFLSA-N 362.481 2.934 0 1 FFAF NC(=O)CNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 299821458 JICZPIPVPOAXQU-UHFFFAOYSA-N 358.781 2.923 0 1 FFAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1N 299840146 URSHAWIPTMXAIX-JKSUJKDBSA-N 371.433 2.869 0 1 FFAF COC(=O)C1=C(C)Oc2ccc(Cl)cc2[C@@H]1[C@H](C(C)=O)C(=O)OC 299836466 NHOMUGSTAXWDOO-DZGCQCFKSA-N 352.770 2.641 0 1 FFAF COc1cc(/C=C2\OC(=O)C(c3ccc(O)cc3)=C2O)cc(OC)c1O 653779434 CFVIAGUROIZONN-DHDCSXOGSA-N 356.330 2.982 0 1 FFAF COC(=O)[C@@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594928 PXCFYORZTLNOTC-UUEFOYDDSA-N 370.357 2.816 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775261 QGLMMINBFOPVKD-CAAJLBCPSA-N 368.206 2.721 0 1 FFAF COc1ccc2c(c1)[C@](C)(CC(=O)Nc1nccc(C)n1)N[C@@H]1CC[C@@H]21 962997680 RVTKLMFOUQOHQP-VPWXQRGCSA-N 352.438 2.887 0 1 FFAF O=C(NC1CC1)C1=C[C@H](c2c[nH]c3ccccc23)C[C@H](OCCCCO)O1 13657351 QYVUOYZSVCUIOS-VBKZILBWSA-N 370.449 2.950 0 3 FFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@@H]2CO)ccc1O 15152829 KUSXBOZNRPQEON-UWXNHABZSA-N 358.390 2.625 0 1 FFAF endogenous,in-man Cn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)c1 1857549572 KRSXEEUTIGGBEL-IAGOWNOFSA-N 350.422 2.556 0 1 FFAF Cc1cc(=O)c2c(O)c3c(c(C[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 6069568 RYQFQWNLOIXOQQ-AWEZNQCLSA-N 360.406 2.666 0 1 FFAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(Cc1cnc[nH]1)CC2 27558456 REPJMGVQZUBMEG-UHFFFAOYSA-N 364.384 2.522 0 1 FFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)C1CCC1 2356320452 IKVDYCUBXDJEJH-BJLQDIEVSA-N 370.449 2.709 0 1 FFAF COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C(=O)O 2356664460 VURGZLDGPWHDST-NWGCKPPDSA-N 362.466 2.854 0 1 FFAF CO[C@H]1Cc2c(cnn2C)C2(CCN(CCCc3ccccc3)CC2)O1 72117151 IABVZQVXXVPFEK-HXUWFJFHSA-N 355.482 2.889 0 1 FFAF CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1 74379225 FSDCDWJOEWACKS-QZTJIDSGSA-N 356.447 2.673 0 3 FFAF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152982 WSJKKFBUKPIWMK-UHFFFAOYSA-N 358.417 2.649 0 1 FFAF COc1ccc(-c2csc(-n3[nH]c(C)c(C(=O)CC(C)=O)c3=O)n2)cc1 143522630 VIRQFZXQPYJUJT-UHFFFAOYSA-N 371.418 2.768 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@H]23)cc1 95798044 PTKQWCOSPHHWRV-JPDSDWOVSA-N 362.473 2.891 0 1 FFAF COc1ccc(CCNC(=O)/C=C/Cc2ccc(O)c(OC)c2)cc1O 238742778 ZGCSDBMDEGSSAY-HWKANZROSA-N 357.406 2.573 0 1 FFAF COc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1)C[C@@H](C)OC3=O 85599545 OQZQJUQLPRKHJG-SECBINFHSA-N 358.346 2.800 0 1 FFAF biogenic O=C(c1ccc(F)cc1)N1CCc2nc(COc3cccnc3)oc2C1 473106302 WEBJVGXMWQLZCR-UHFFFAOYSA-N 353.353 2.986 0 1 FFAF Cc1ccc(-c2nnc(SCc3nc4cc[nH]c(=N)c4[nH]3)n2C)cc1 586965028 DJRYKUKUZHOVSA-UHFFFAOYSA-N 351.439 2.767 0 1 FFAF Cc1c(I)cnn1[C@@H](C)c1nc2cnccc2[nH]1 587182918 UGJSGYKFMLWFAS-QMMMGPOBSA-N 353.167 2.677 0 1 FFAF COc1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)ccc1Br 586976671 GWJPHFSVIJKKSC-HWKANZROSA-N 363.171 2.706 0 1 FFAF Cc1c(Br)ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 587258917 AWBCKASHIUBYFV-ZDUSSCGKSA-N 373.254 2.975 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)ccc3[nH]2)o1 586931328 AHXWQWZCXFNQNV-UHFFFAOYSA-N 370.228 2.836 0 1 FFAF COc1cc(C)nc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 13746157 KSPZWFCHYDBBQS-AREMUKBSSA-N 370.478 2.958 0 1 FFAF CCCC(=O)n1nc(-c2ccco2)nc1S(=O)(=O)Cc1ccccc1 1857746778 DXTFIVHGKLNHGR-UHFFFAOYSA-N 359.407 2.952 0 1 FFAF Nc1nc(-c2cccc3ccccc23)c(I)c(=O)[nH]1 3653751 QONBWJLJKULOTO-UHFFFAOYSA-N 363.158 2.777 0 1 FFAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO 4213600 APUIXQYQDYSRKC-IAGOWNOFSA-N 368.499 2.887 0 1 FFAF CN(C)c1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)nc(N)n1 142733502 BIHDGNYFOHMXNV-UHFFFAOYSA-N 359.393 2.906 0 1 FFAF Clc1cnc2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 114581098 OEEVLYURDVGDRZ-GFCCVEGCSA-N 361.858 2.597 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1ccncc1 49036485 SLRTUQXBTOKZDJ-GJZGRUSLSA-N 368.824 2.518 0 1 FFAF O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1C2)OCO3 14726772 DBOCPTFHTGKHEP-SFHVURJKSA-N 350.326 2.685 0 1 FFAF biogenic C/C=C1/CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 238742721 NFUNVPXUVUEVKF-JHTVJJQXSA-N 352.434 2.964 0 1 FFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O 95894996 CVNWYMQYTIAHNN-VWPQPMDRSA-N 370.493 2.798 0 1 FFAF O=C(N[C@H]1CCC[C@H](NC(=O)c2ncccn2)C1)c1cccc(Cl)c1 95587145 KLPMCAKLBRUQAT-GJZGRUSLSA-N 358.829 2.601 0 1 FFAF O=C(N1CCOCC1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299830839 PYEUMOXFSJIDFE-UHFFFAOYSA-N 360.389 2.507 0 1 FFAF COc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 587118864 RNKXTEZOEKTDBD-UHFFFAOYSA-N 364.287 2.885 0 1 FFAF C[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 587155133 IAHMKKALTVJNNZ-HNNXBMFYSA-N 361.427 2.861 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587260625 WVEIBHKOADEWPH-LBPRGKRZSA-N 364.327 2.803 0 1 FFAF CN(C)C(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587197371 NTEORXCRMSVRAX-UHFFFAOYSA-N 350.138 2.975 0 1 FFAF CC(=O)[C@H]([C@H]1CCC(=O)N1)[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963126949 YDHOKZGYQZOZIS-DJIMGWMZSA-N 355.265 2.838 0 1 FFAF CC[C@@H]1CCCCN1CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O 5069533 MHAWMHDJBIBWBV-CRAIPNDOSA-N 359.470 2.547 0 3 FFAF aggregator N[C@H]1CCCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 13525426 NLONDWHBZZXURO-JTQLQIEISA-N 361.829 2.616 0 1 FFAF Cc1nnsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F 15064779 XICVHVBWFXQLQP-ZDUSSCGKSA-N 357.414 2.979 0 3 FFAF CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCCC5)c1c4n23 150563488 CSALMZYNSGMYFM-UHFFFAOYSA-N 373.409 2.902 0 1 FFAF CC(C)(Cc1ccccc1)NCCc1ccc(O)c(NS(C)(=O)=O)c1 169326531 LEMSMQLPYJZXRL-UHFFFAOYSA-N 362.495 2.917 0 1 FFAF COCCn1cc(Nc2cc(NCc3cccc(NC#N)c3)ncn2)cn1 1857575257 NQGUIDPFSIJDQX-UHFFFAOYSA-N 364.413 2.568 0 1 FFAF CN=c1[nH]cc(C(=O)OCc2ccc(C)cc2)c2nc(-c3ccco3)nn12 1857649840 LZDJWNMSPWMOSJ-UHFFFAOYSA-N 363.377 2.513 0 1 FFAF CC=C1CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@@H]3[C@H]2C[C@H]1[C@H]4C(=O)OC 2356616590 YNZQTHCMRFWODK-PGPONNFDSA-N 368.477 2.595 0 1 FFAF CC1(C)CCC[C@@]23[C@H](O)O[C@@](C)(CC[C@H]12)[C@@H]3CCC1=CC(=O)O[C@H]1O 2356807426 WINVMGUEZGASDH-BSISXJFESA-N 350.455 2.898 0 1 FFAF CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1)N1CCN(C)CC1 26818504 YXIMEISWDRUOQU-QGZVFWFLSA-N 372.402 2.913 0 1 FFAF CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O 33954018 OYPPJMLKAYYWHH-FZMUUUDYSA-N 368.470 2.545 0 1 FFAF in-man Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3=CCNCC3)n2)n1 224878856 YUJKLTZVCYEGQA-UHFFFAOYSA-N 369.432 2.958 0 1 FFAF Cc1ccc2nc(C)n(NC(=O)c3cc4ccccc4oc3=N)c(=O)c2c1 84709849 MTWSTLALBJSMHR-UHFFFAOYSA-N 360.373 2.623 0 1 FFAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N)nnc2c1 84741771 OJAXNTGFVLEVJY-UHFFFAOYSA-N 367.428 2.930 0 1 FFAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)n[nH]c1C 653833320 AXMGTACDPLMOAG-UHFFFAOYSA-N 370.438 2.719 0 1 FFAF N=c1[nH]c2nc(-c3cc(Br)cc(C=O)c3)nc-2c(Cl)[nH]1 586982643 NEPMYTVAEQDPPR-UHFFFAOYSA-N 352.579 2.612 0 1 FFAF Oc1cc(O)nc(SCc2nc3cccc(Br)c3[nH]2)n1 586966561 IPZHYPSZNHIBQL-UHFFFAOYSA-N 353.201 2.819 0 1 FFAF O=C(c1nnc(-c2ccccc2)o1)n1ncc2ccc(Cl)cc2c1=O 587652603 WLKPYOCLCDPZBW-UHFFFAOYSA-N 352.737 2.788 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CC(C(=O)O)C3)cc1)O2 587395165 KSDBQXUBAFLTBW-GOSISDBHSA-N 352.390 2.805 0 1 FFAF COc1cc2c3c(c1)O[C@](c1cnn(C)c1)(c1ccccc1O)[C@@H](C2)C3=O 587429818 BASXHAKNTTVRQV-HRAATJIYSA-N 362.385 2.826 0 1 FFAF COc1c[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1=O 587772943 PSWGYZGJPFZRDY-VPTHRUTESA-N 367.218 2.909 0 1 FFAF CCOC(=O)[C@@]1(CC(=O)c2cccs2)NCCc2nc3ccccn3c21 962982705 JHDMCZFWCFUPHJ-IBGZPJMESA-N 369.446 2.573 0 1 FFAF Cc1ccc2c(c1)[C@@H]1CC(=O)N(CCc3cccs3)C(=O)C1=C(N)O2 206391410 XUFVVMYHHUGXBO-AWEZNQCLSA-N 354.431 2.704 0 3 FFAF Nc1cccc(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)c1 1857552721 NWPDLJFTYHOJPI-UHFFFAOYSA-N 350.407 2.776 0 1 FFAF CC(C)[C@@H](CC1CCCC1)NC(=O)[C@H]1Cc2ccc(C(N)=O)cc2CN1 1857745066 GREJKJPJURTIEJ-RTBURBONSA-N 357.498 2.521 0 1 FFAF O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1 218902162 VQNLEJUAAGSHBQ-UHFFFAOYSA-N 364.445 2.553 0 1 FFAF COc1cc(/C=C/c2ccc(C(=O)NCCCO)cc2)cc(OC)c1OC 58638690 SQVJHGZFSPTRKL-AATRIKPKSA-N 371.433 2.995 0 1 FFAF in-vitro COc1ccc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(OC)c(O)c2)cc1O 111460443 IDASJTBLBSIWHG-CABCVRRESA-N 358.390 2.689 0 1 FFAF Cc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C 28826113 LSYVFKDTISNLIP-HKUYNNGSSA-N 365.433 2.690 0 1 FFAF CC(C)NC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1 28525237 LERAXQLVZTWFBE-UHFFFAOYSA-N 362.393 2.772 0 1 FFAF COc1ccc2c(c1)c1oc(C(C)C)c(S(=O)(=O)O)c1c(=O)n2C 28249980 REOFRSHCHBHTNY-UHFFFAOYSA-N 351.380 2.663 0 1 FFAF O=S(=O)(Cc1ccc(Br)cc1)NCCCCc1c[nH]cn1 26835690 BZPCQQWWVCAOBD-UHFFFAOYSA-N 372.288 2.615 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@@H](C2)N(C[C@@H](C)O)CC3 2356523009 CPJQTONOKGWFSY-BXUZGUMPSA-N 371.433 2.618 0 1 FFAF CC(=O)N1c2ccccc2[C@]23CCN(C)C=C4[C@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 2356669338 XZIACDKZDCVKKQ-BZWXHLRUSA-N 366.461 2.503 0 1 FFAF COc1cc(O)c2c(c1)C=CCC[C@H](O)[C@H](O)CCC[C@@H](C)OC2=O 2356709104 OZWMOQDGIWAGRK-UHOFOFEASA-N 350.411 2.645 0 1 FFAF C[C@H]1C=CC[C@H](COC(=O)C(C)(C)C)[C@H]1CC[C@H](O)C[C@@H](O)CC(=O)O 27560147 ZDGYEYUTPNFUFZ-NNXHMXCWSA-N 370.486 2.771 0 1 FFAF Cc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1F)=C2O 28096386 TXHOJKPWTYIWHW-UHFFFAOYSA-N 368.411 2.695 0 1 FFAF COc1ccc(Cn2cnc3sc(-c4cc[nH]c(=N)c4)cc3c2=O)cc1 1911582731 SPSBHWFPYKOIAX-UHFFFAOYSA-N 364.430 2.989 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CN2CCC1CC2 40401172 MUMLSZXBXFEQAV-OAHLLOKOSA-N 370.478 2.730 0 1 FFAF C[C@@H]1CC[C@]2(O)[C@H](CC[C@H](O)C2(C)C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 85930674 YAGMCYJJNFHJLU-OKEBDRSWSA-N 352.471 2.533 0 1 FFAF biogenic COc1ccc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OC 587652412 RKEWLIFTNKJZPL-UHFFFAOYSA-N 358.781 2.950 0 1 FFAF COC(=O)CC[C@@]1(c2ccccc2N)CC(=O)c2cc(C)cc(N)c2O1 587392379 YMCDOTFVIXOSQG-FQEVSTJZSA-N 354.406 2.973 0 1 FFAF Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)noc2n1 587652347 PMBZHMDFHXXNIF-UHFFFAOYSA-N 354.753 2.891 0 1 FFAF COC(=O)c1ccnc2nc(-c3ccc(F)c(Br)n3)[nH]c12 587155329 KKSUGRXTDXWWHW-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF CCOC(=O)[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351355 UGGYRBSPPHNKPB-PXNSSMCTSA-N 372.348 2.781 0 1 FFAF CSc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 586945761 LSQGDAZEZOCCMH-UHFFFAOYSA-N 351.453 2.902 0 1 FFAF N=c1[nH]c2nc(CCCC(=O)c3ccc(Cl)cn3)nc-2c(Cl)[nH]1 587081897 IFGOQNYFBHAJEF-UHFFFAOYSA-N 351.197 2.624 0 1 FFAF CCOc1ccccc1[C@](N)(c1nc2c(N)ccnc2[nH]1)C(F)(F)F 587091476 DNLSDAHZAFEUPK-HNNXBMFYSA-N 351.332 2.703 0 1 FFAF N[C@@H]1C[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccc(F)cc21 963230131 LNIKKEWZMMOMBZ-SLYNCCJLSA-N 363.392 2.620 0 1 FFAF COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(OC)cc1Cl 5512114 JZSBZZLZXMBWTG-MRLZPSRLSA-N 351.786 2.819 0 1 FFAF Cc1cc(CNC(=O)CCc2nnc(CCCc3ccccc3)o2)nn1C 13595144 HVCKVWWFSYZGRQ-UHFFFAOYSA-N 367.453 2.536 0 3 FFAF CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 169351119 YAIXJKZQJNOCPD-LJCCNALRSA-N 374.868 2.538 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1ccco1 169687216 MSEMSKUBTMQJDJ-MSOLQXFVSA-N 360.369 2.826 0 1 FFAF Cc1cccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)c1F 207792589 VQPILUYEENTSEO-UHFFFAOYSA-N 369.331 2.923 0 1 FFAF O=C(Nc1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 6804465 UQRVBFSNMLENPO-UHFFFAOYSA-N 368.412 2.786 0 1 FFAF COC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2 26262733 GPTFOAJWBIXTMY-DGAVXFQQSA-N 371.218 2.688 0 1 FFAF CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 20574737 QSIXXPUZDCQNMD-UHFFFAOYSA-N 369.512 2.801 0 1 FFAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@]12O)C3 29041874 ZYHZNGUCLQZBOS-POJIQHKBSA-N 350.455 2.530 0 1 FFAF COC(=O)[C@@]12C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]1CC[C@@H](O)C2 2356695355 DJYUVQHOELNJST-AQBLEKOUSA-N 354.450 2.791 0 1 FFAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1cc(F)c(F)cc1F 28638958 TWYGKUPLZKSOHO-CQSZACIVSA-N 363.357 2.888 0 1 FFAF O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccco1 74387201 LUYHXFDHFQGTHI-UHFFFAOYSA-N 358.354 2.929 0 1 FFAF C[C@]12CC[C@@H]3c4cc(F)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 84633011 HRICESCEKKGRKZ-JPVZDGGYSA-N 367.442 2.833 0 1 FFAF CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 43009520 DONMCIZYEUHXSH-MSOLQXFVSA-N 357.429 2.693 0 1 FFAF O=C(NCCCO)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143494438 UDXVYLHBHVGUCB-QGZVFWFLSA-N 351.324 2.577 0 1 FFAF COC1=C[C@@H]2C=C(Oc3ccc4ccc(=O)oc4c3)C(=O)O[C@H]2C=C1O 238735061 UJRSXAFBORHKBS-ABAIWWIYSA-N 354.314 2.583 0 1 FFAF O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3 142046073 ZTDHSRYSNMWLGQ-UHFFFAOYSA-N 372.428 2.710 0 1 FFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95794701 HMQRAVVURDTGQR-LEWJYISDSA-N 362.473 2.752 0 1 FFAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccco2)c1=O 25235601 IHUNDFPDRIVTMQ-ZBFHGGJFSA-N 361.401 2.763 0 1 FFAF biogenic COc1ccccc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261116537 IWVIDALMACPDIX-KSSFIOAISA-N 360.417 2.599 0 1 FFAF Cc1noc(C)c1CN1C[C@H](C)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 299843530 SZMZFVJOVAMOCC-VBKZILBWSA-N 354.454 2.557 0 1 FFAF O=c1cc(-c2ccc3nn[nH]c3c2)nc2nc(-c3ccccc3Cl)[nH]n12 653632774 LHHZVPXBBLITLJ-UHFFFAOYSA-N 363.768 2.676 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(O)nc(S)n1 587873137 VEIQVFHSDQVRMP-UHFFFAOYSA-N 374.397 2.755 0 1 FFAF N=c1[nH]ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587019489 PDDWMCMEZBXFHO-UHFFFAOYSA-N 356.436 2.732 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753252 AQJCOHPNCKMREJ-WJWGPLDTSA-N 353.239 2.836 0 1 FFAF COC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832493 CAPNIFDNVFHKPY-SEFYAATASA-N 372.234 2.527 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586929341 DUONVNCHJXNFKR-UHFFFAOYSA-N 371.249 2.697 0 1 FFAF Fc1ccc(-c2cnn(Cc3nc4c(S)nc(S)nc4[nH]3)c2)cc1 587164921 FIWRGALRJLMEDM-UHFFFAOYSA-N 358.427 2.981 0 1 FFAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 685935454 JHBBZIAPXDEPET-BZRSVHNHSA-N 350.499 2.537 0 1 FFAF biogenic,in-vitro CCOC(=O)[C@@H](Sc1ncnc2c1sc(=S)n2CC)C(C)=O 957877264 DHNJJKJIEGVILO-QMMMGPOBSA-N 357.482 2.855 0 1 FFAF C[C@@H]1C(=O)OC=C[C@]12c1cccc3c1C[C@@H](CNC(=O)OC(C)(C)C)N2C3 962630516 KAGSOCKOURORKR-VWVPQACVSA-N 370.449 2.854 0 1 FFAF O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 5100604 PALHJXZCKYUWFS-FTUNRGFVSA-N 374.396 2.956 0 1 FFAF Oc1cc2c(cc1[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 204637797 KQRXQIPRDKVZPW-BGXQRSTCSA-N 370.357 2.925 0 1 FFAF endogenous,in-man COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C(=O)O)cc3[C@H]2CO)cc1OC 205081478 KPVRDBJJSXNPDY-WARYXCEBSA-N 372.373 2.717 0 1 FFAF N=C(NC1=N[C@H]2CCCC[C@@H]2C(=O)N1)N1CCC(Cc2ccccc2)CC1 1857578155 ILUDOCZXAFKIAI-ROUUACIJSA-N 367.497 2.510 0 1 FFAF CC(C)[C@@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857748520 XYXSWMHKNSFHGK-LVNJIZSUSA-N 373.541 2.525 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1[C@@H]1C(=O)Cc2c1ccc1c2OCO1)OCO3 2356321393 LHPNQYJYGLYMGX-PMACEKPBSA-N 365.385 2.582 0 1 FFAF CCN(CC)C[C@H](O)COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 2272589 DLYMFOLYIKQMOC-FPOVZHCZSA-N 363.498 2.700 0 3 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2O)[C@H](O)C3=O)O1 2356410113 BTXPVCGAZAPESU-MJGOQNOKSA-N 372.373 2.584 0 1 FFAF CCN(CC)CCCCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 3631739 CBSRTCJXRPWSEA-NRFANRHFSA-N 358.482 2.847 0 1 FFAF CCc1nccn1CCC(=O)N1CCC[C@H]1c1ccc(C(=O)NC)s1 23192387 DMOMQOVHEWVJQC-ZDUSSCGKSA-N 360.483 2.620 0 1 FFAF Cc1nc2c(C(=O)NCCc3ccccc3Cl)c[nH]n2c(=O)c1Cl 100613972 HRNZDOZOPWNTIU-UHFFFAOYSA-N 365.220 2.610 0 3 FFAF CCSC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@H]([C@H](C)O)[C@H]2S1 26381779 XXLSGOZSZYOOLC-ITDIGPHOSA-N 365.476 2.564 0 1 FFAF COc1cccc([C@@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@H](C)C2)c1 22609863 CHYVAKAFGGCNES-ZOWXZIJZSA-N 374.466 2.704 0 3 FFAF CN1CCN(CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 31848086 PQYNIWBLPVBRBP-UHFFFAOYSA-N 363.465 2.806 0 1 FFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(Br)ccc21 72138204 BHDLZPJXKWGQPM-CYBMUJFWSA-N 368.252 2.731 0 3 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4nccn34)CC2)c1 198797252 IWXWUUPJGXUIHH-UHFFFAOYSA-N 366.494 2.865 0 1 FFAF COc1ccc(Cc2[nH]c(=O)c(O)c3cc(OC)c(OC)cc23)cc1OC 199345044 PCSMBPQWORGCCK-UHFFFAOYSA-N 371.389 2.859 0 1 FFAF O=c1c2ccccc2nc2n1CC[C@@]2(O)[C@H]1c2ccccc2N=C2CCCN21 238762236 BEDKDIQIUJUEML-DENIHFKCSA-N 372.428 2.869 0 1 FFAF O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1c[nH]c2ccc(F)cc12 26771884 WBHDYESULWGGAM-KGLIPLIRSA-N 365.408 2.771 0 1 FFAF biogenic COCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593914 FWOVEGYFAAJZIL-XLIONFOSSA-N 372.373 2.692 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c(=N)n2)N1 587743436 DPCULRXAZXNEHR-AYVTZFPOSA-N 351.223 2.588 0 1 FFAF Cc1cccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587204484 YWWYEXZXIKQRFO-HNNXBMFYSA-N 353.378 2.793 0 1 FFAF COC(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1OC 587021259 HDLYMZXZOXZHCC-UHFFFAOYSA-N 369.406 2.882 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cccc(Br)c3[nH]2)c1 587142356 WOZOTMKSRXRXRY-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF CN1C(=O)C[C@H]2CN[C@@H](c3nccnc3-c3cccnc3)c3cccc1c32 963038729 YATMHQWMSJPHHK-VBKZILBWSA-N 357.417 2.681 0 1 FFAF COc1ccccc1-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1 1772587704 QPMRHOQEJFXJRE-UHFFFAOYSA-N 360.377 2.642 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(C(C)=O)cc3[C@@H]2CO)cc(OC)c1O 13305873 UKUDCHLJBHCTLX-IFXJQAMLSA-N 374.389 2.830 0 1 FFAF biogenic,in-vitro CCCNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O 13676859 RSTAVJXRRDMAJN-QQRWZLOUSA-N 368.437 2.559 0 1 FFAF O=C(O)C[C@](O)(CSCCc1ccc(Cl)cc1Cl)C(=O)O 13758081 FUWFIKKYXNAMBY-ZDUSSCGKSA-N 353.223 2.560 0 1 FFAF Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCCC1 13758493 RDARVQBHWDFAPA-UHFFFAOYSA-N 372.421 2.502 0 1 FFAF NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165132604 SKFYJZPHCZZCCE-UHFFFAOYSA-N 372.427 2.763 0 1 FFAF O=C1Nc2ccc(Br)cc2C12CCN(c1cccnn1)CC2 1857614487 ZIWXLKGOUPGBGO-UHFFFAOYSA-N 359.227 2.729 0 1 FFAF CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C 7998185 NULFXNYRJYPFQC-ZUQHXKQRSA-N 362.422 2.515 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1[C@H]1OCc2c1ccc1c2OCO1)OCO3 2356461961 AACMFFIUYXGCOC-ICSRJNTNSA-N 353.374 2.945 0 1 FFAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1N1CCOCC1 28119386 MTHXCMQZZFMNNG-FQEVSTJZSA-N 368.433 2.864 0 1 FFAF N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@]1(F)C(=O)O 29124033 HVYIQBGXHPRJMO-FFZOFVMBSA-N 371.364 2.909 0 1 FFAF CN[C@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(OC)c(=O)cc21 6068336 KEOVUWFJHROWNK-AWEZNQCLSA-N 357.406 2.652 0 1 FFAF biogenic Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@H](F)C4)ccc23)cn1 221608997 IFMQWJXDDVIDOS-HNNXBMFYSA-N 367.428 2.668 0 1 FFAF CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82213054 RDEWLPTYTZCCFK-OAHLLOKOSA-N 371.485 2.506 0 1 FFAF COc1cc2nc(N3CCCCCC3)nc(NC[C@@H](C)O)c2cc1OC 82129600 FXHVGZBMJBFARU-CYBMUJFWSA-N 360.458 2.820 0 1 FFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@H]2O)[C@H]13 238774031 LJTRXFYQOVKYKJ-XXTQHLTPSA-N 354.450 2.574 0 1 FFAF COc1ccc(/C=C2\NCCc3cc4c(cc32)OCO4)c(C=O)c1OC 238758809 NMZLYCCNMOSMED-APSNUPSMSA-N 353.374 2.889 0 1 FFAF CCCCCCC(=O)CCCCCC/C=C\[C@H]1O[C@@H]1[C@](N)(CO)C(=O)O 238783024 WYHZRRKOWQBAFU-WLBILLOTSA-N 369.502 2.965 0 1 FFAF COc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 95571729 IKXYPVOSZVQOPI-VQTJNVASSA-N 351.450 2.526 0 1 FFAF c1ccc(CO[C@@H]2CO[C@H]3[C@@H](n4cc(-c5ccccc5)nn4)CO[C@H]32)cc1 25413202 OIVGIZBBWFUXOK-WOZUAGRISA-N 363.417 2.869 0 1 FFAF biogenic Cc1cccc(C(=O)N2C[C@H](C)[C@@]3(CCN(c4ccsc4)C3=O)C2)n1 299842527 HTQVBIBMRQSJGS-ORAYPTAESA-N 355.463 2.967 0 1 FFAF O=C(CN=c1[nH]c2ccccc2s1)n1ncc2ccc(Cl)cc2c1=O 587653926 OIMODTWMOVZZSO-UHFFFAOYSA-N 370.821 2.834 0 1 FFAF O=C1CSc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 587044343 TVIYRZLCSFGVAL-UHFFFAOYSA-N 362.212 2.778 0 1 FFAF NC(=O)c1cccc(C[C@H](N)c2nc3cccc(Br)c3[nH]2)c1 587259535 JYVQLILYKYAGDV-LBPRGKRZSA-N 359.227 2.667 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O 587435332 FKUYXHJPNBBKJH-KKSFZXQISA-N 361.401 2.998 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccnc2)N1 587775670 SZVBZOHZJLCEMT-FVMDXXJSSA-N 365.202 2.846 0 1 FFAF CCOC(=O)Cc1c(-c2ccccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587651759 YLMFKEJJWJXDPJ-UHFFFAOYSA-N 358.419 2.739 0 1 FFAF O=S(=O)(c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1)C(F)(F)F 586891145 NDWIXNBKYCCGAR-CYBMUJFWSA-N 372.324 2.644 0 1 FFAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448054 BHMNEVDORFZYNO-AGKSTNPPSA-N 360.406 2.704 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c(=N)n2)N1 587743438 DPCULRXAZXNEHR-GLEZIHRCSA-N 351.223 2.588 0 1 FFAF Cc1nc(C(F)(F)F)ncc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962900543 RMGPFSOSERJQKL-AAEUAGOBSA-N 355.291 2.631 0 1 FFAF Cc1cc2c(cc1O)[C@@](CCCN(C)C)(c1ccccc1)N[C@H](C(=O)O)C2 963552211 OTLFZCPFDGKHEB-SIKLNZKXSA-N 368.477 2.885 0 1 FFAF Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1 11664175 RYEZRYHYNXVMNF-INIZCTEOSA-N 364.453 2.755 0 1 FFAF CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 169306326 YFTUQUCGVBYSGB-RISCZKNCSA-N 354.838 2.995 0 1 FFAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccncc2)C1=O 1857550257 ZJJJQCGQCRZOBG-SFHVURJKSA-N 365.477 2.911 0 1 FFAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](O)CO 777255 AXHMCTVXFAWNAB-SECBINFHSA-N 370.808 2.515 0 1 FFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206330 SHXDZTNHAUJFPI-VYDXJSESSA-N 362.813 2.912 0 1 FFAF COc1ccc(C2=NN(CCN(C)C)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26566964 XBAAJWHLDYXCQR-CVEARBPZSA-N 359.470 2.618 0 1 FFAF O=C(N1CCOCC1)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 28525311 AKFQSZCYTVIZMX-UHFFFAOYSA-N 369.352 2.610 0 1 FFAF CCOC(=O)c1cn(C)c2c(ccc3c2nnn3Cc2ccccc2)c1=O 66112111 QWFLCBXXMUKEKS-UHFFFAOYSA-N 362.389 2.508 0 1 FFAF COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446690 LROJDEYJWCCVCX-XHSDSOJGSA-N 372.471 2.673 0 1 FFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1cccc2c1OCO2 61903080 KTLWWSGIGZOBPM-FQEVSTJZSA-N 368.389 2.747 0 3 FFAF CCC(=O)NCc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1 73404097 VVGYGBSXBNZIRY-UHFFFAOYSA-N 363.425 2.580 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 40860541 ITWHOUBMQIJNKR-AWEZNQCLSA-N 355.446 2.597 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C)N2 82207265 DPYXQPWVIBRIIN-ZDUSSCGKSA-N 374.460 2.860 0 1 FFAF CN(C)C(=O)[C@H]1CC2(NC(=O)OCc3ccc(C(=O)O)cc3)CCC1CC2 96086563 ZZYFAMGZMYVARN-FXUPRZHBSA-N 374.437 2.648 0 1 FFAF in-vitro CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95893892 XTQBSVCVYJLKNC-CMKODMSKSA-N 365.433 2.804 0 1 FFAF CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)CCCC1)C(=O)O 261148835 OLJFAUHUGYPHKD-KFWWJZLASA-N 352.475 2.598 0 1 FFAF CCOC(=O)[C@H]1CCCN(CCC(=O)N2C(=O)CCC23CCCCC3)C1 653762731 CXXJEQHEDYBGIW-INIZCTEOSA-N 364.486 2.504 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(N)=O)c1)CC2=O 587469069 HPRFPEUVYVOEFX-SFHVURJKSA-N 355.390 2.915 0 1 FFAF COc1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226232 VXFODBZIXRAVOU-UHFFFAOYSA-N 369.421 2.634 0 1 FFAF O=C(O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588527 KYRBWZGCYINHTH-DYVFJYSZSA-N 352.302 2.516 0 1 FFAF N=c1nc(O)c2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2[nH]1 587148262 AFDKSRUZRICADN-ZDUSSCGKSA-N 350.357 2.812 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3c(C)cnc(Cl)c3[nH]2)cc1 586921126 YNVYEQLMJRFWNZ-UHFFFAOYSA-N 351.815 2.902 0 1 FFAF COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2n1 587234766 VDRADLXSWJRTIE-UHFFFAOYSA-N 360.414 2.830 0 1 FFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 586950358 FTJSPZLJSLTBNL-UHFFFAOYSA-N 359.451 2.915 0 1 FFAF Cc1cnc2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587203402 PAQAOXPKXNDUEK-CQSZACIVSA-N 354.366 2.709 0 1 FFAF CCc1cc(Nc2cc(=O)n(CCCCCOC(C)=O)c(=O)[nH]2)ccc1C 13674945 ZKLVXXLJQMIBHV-UHFFFAOYSA-N 373.453 2.884 0 1 FFAF c1cncc(-c2cc3c(-c4cnn(CC5CCNCC5)c4)n[nH]c3cn2)c1 205265701 NHOCHPHSKZCGPO-UHFFFAOYSA-N 359.437 2.883 0 1 FFAF CC(=O)NCCC[C@H]1OC[C@H](Oc2ncc(OC(C)C)cc2Cl)CO1 116486027 XIFGKQUBRHFWNX-FZNQNYSPSA-N 372.849 2.559 0 1 FFAF CC(C)[C@@H](CN1CC[C@@H](C)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857749614 CLCFQLVMHMQZBB-VAKZPMALSA-N 373.541 2.525 0 1 FFAF COc1ccc2c(C(=O)N(C)CC(N)=O)c(F)ccc2c1C(F)(F)F 597092 YYHQVWZIIACNEM-UHFFFAOYSA-N 358.291 2.564 0 1 FFAF O=C(O)C[C@@H]1[C@@H]2C=C[C@@H]3C(c4ccc5c(c4)OCO5)=C[C@H](O)[C@@H]4C[C@@H]1[C@@H]2[C@@H]34 2356418163 XYHDKVJBIKILGM-RCANZSIVSA-N 366.413 2.948 0 1 FFAF Cn1cc(CNC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cn1 2356364427 UBWFAHVFRBJOCY-MRXNPFEDSA-N 357.845 2.626 0 1 FFAF CCN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103237710 YECJXIQSIVVMSS-RIYZIHGNSA-N 369.471 2.736 0 1 FFAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Br)cc1 103538801 STHKAYDGTPJDEZ-OWRWYXLESA-N 364.203 2.937 0 1 FFAF COC(=O)[C@@H]1CC[C@]2(C)[C@@H]([C@H]3C=C[C@@]2(O)C(=O)O3)[C@]1(C)C=Cc1ccoc1 2356454026 WGJYPUWQDZUODK-UYELZLHISA-N 372.417 2.731 0 1 FFAF CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CCC[C@@H](C)[C@@]21C 2356498788 IUCVWQKXCCLBGN-ZWQHVMPTSA-N 350.411 2.897 0 1 FFAF CC(=O)Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1 71329370 FSGQSNMSKKPBHY-VWLOTQADSA-N 358.398 2.974 0 1 FFAF N[C@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@@H]12 15209841 INCNNKYUDFBEIB-SMDDNHRTSA-N 354.273 2.793 0 1 FFAF biogenic CCOc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1 40422541 NCLCRAHDLMNHHS-UHFFFAOYSA-N 352.398 2.852 0 1 FFAF C[C@@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 85912424 ZULROTFSZUEJTM-LXWRTIBQSA-N 362.422 2.526 0 1 FFAF Cc1ccc2nc(C)n(NC(=O)c3sc4c(c3N)CCCC4)c(=O)c2c1 84712872 URKTZJAHTYXPHZ-UHFFFAOYSA-N 368.462 2.920 0 1 FFAF COc1cc(-c2c[nH]c3c(ccn4ccnc34)c2=O)cc(OC)c1OC 84634361 GPKVQNJXHQTIOM-UHFFFAOYSA-N 351.362 2.869 0 1 FFAF CC(C)c1nc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c2ccccn12 653790994 ZSXHAWBCPODHDP-MRXNPFEDSA-N 370.497 2.688 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586899442 XBLXSVNMFPZPJS-UHFFFAOYSA-N 357.435 2.599 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587828599 PCFXVCQOIKZCDL-FCUYTKMESA-N 366.230 2.914 0 1 FFAF CC(=O)OCC[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962638724 MHXNBRZFJWNLKF-PMACEKPBSA-N 356.422 2.502 0 1 FFAF COc1ccc(CC2=NO[C@@H](CNC(=O)CSc3ccccn3)C2)cc1 12151838 YPBXQIRNBJVAKE-QGZVFWFLSA-N 371.462 2.686 0 1 FFAF C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 12917239 LMFDKCSDDVFKPH-FMKPAKJESA-N 374.510 2.795 0 1 FFAF O=C(OCCc1ccc(O)cc1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833619 GYAYTPCUJVWNAU-UHFFFAOYSA-N 359.765 2.992 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169294914 FDKJSJGIAQCACZ-KHKZNYETSA-N 365.429 2.652 0 1 FFAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@@H]12 205217334 PKZFFUSGVFEXHS-SJORKVTESA-N 374.437 2.866 0 3 FFAF CC(=O)Nc1ccc2nc(O)n([C@H]3CCO[C@@H](C(C)(C)C)C3)c(=O)c2c1 1857594098 NVEKSQHXROUEMY-XJKSGUPXSA-N 359.426 2.827 0 1 FFAF COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1 2926402 LNEGEHXACOVUCK-UHFFFAOYSA-N 351.406 2.815 0 3 FFAF CCC(=O)N1c2ccc(S(=O)(=O)NC3CCCCC3)cc2C[C@H]1C 6730047 KCDAIXUFWANNMC-CYBMUJFWSA-N 350.484 2.985 0 3 FFAF FC(F)(F)c1cccc(CN2CCOC[C@@H](Oc3cnccn3)C2)c1 2356287484 KLWWBQIYJZKYBC-HNNXBMFYSA-N 353.344 2.775 0 1 FFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Br)cc1 104079132 JSTRTMOPBIHHGA-KPMWUXBGSA-N 350.176 2.547 0 1 FFAF CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100107719 JRBCRMRMHKTKPI-WNOXSNOUSA-N 361.489 2.685 0 1 FFAF COc1ncccc1-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O 117701820 RKIHIAOAKRSJJV-UHFFFAOYSA-N 351.410 2.868 0 1 FFAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCSCC3)cc21 29414120 ISSIVHRKGORFMR-UHFFFAOYSA-N 361.467 2.590 0 1 FFAF CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 61908928 JIJAAJFMDWPMPJ-LBPRGKRZSA-N 358.360 2.964 0 3 FFAF CCC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72184861 RCDJRQZLAUVVTM-SFHVURJKSA-N 362.836 2.913 0 1 FFAF CO[C@@]1(C)OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 34008462 WVQTZIAFXBTTNX-IBGZPJMESA-N 358.415 2.920 0 1 FFAF C[S@@](=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71329834 XKSHJVRSLGTDOV-VWLOTQADSA-N 352.419 2.716 0 1 FFAF CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@](C)(O)C(=O)C3(C)C 14453165 VNKDSIQJVMWJFM-FQEVSTJZSA-N 356.374 2.556 0 1 FFAF biogenic CNC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 72122985 YPNMCFCHQNAWKU-UHFFFAOYSA-N 359.432 2.895 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]21 199267498 GNCMHKZURMGBHQ-GDBMZVCRSA-N 366.483 2.707 0 3 FFAF C[C@@H]1C(=O)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@@H]3[C@H]1C 139656318 ILXJSQQEACLYCI-WPXWDTPYSA-N 353.462 2.903 0 1 FFAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCO2)cc1OC 40917551 URTWTMWIAYYEGR-OAHLLOKOSA-N 355.398 2.765 0 1 FFAF CC(C)[C@@]1(O)/C=C/[C@](C)(O)CCC(=O)[C@]2(C)CCC=C(CC1)C(=O)O2 238786899 ZRSVCIGMOMWILW-WKBWJSORSA-N 350.455 2.846 0 1 FFAF O=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1 473083689 DACUEXPBCYZXJZ-UHFFFAOYSA-N 364.405 2.677 0 1 FFAF C[C@]1(C(=O)O)CSC(c2ccc(OCCCCCCO)cc2O)=N1 473085499 WZONZWBUALMATA-QGZVFWFLSA-N 353.440 2.660 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCNC2=O)N1 587790366 CNUAPJVVAZDFDX-RBIVETJNSA-N 355.251 2.864 0 1 FFAF COC(=O)c1ccc2[nH]c(C(=O)Cc3ccccc3OC)nc2c1OC 587932748 ZFVOEJMILMXAMQ-UHFFFAOYSA-N 354.362 2.792 0 1 FFAF COc1cccc(-c2cnnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1 587653400 VHIAWGBXKQCEKI-UHFFFAOYSA-N 365.780 2.900 0 1 FFAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587235849 QQIYJGJDKCLXNN-CABCVRRESA-N 365.389 2.991 0 1 FFAF CCOC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587833768 IAUXKLCXCBQQJA-RCAYSMOQSA-N 372.234 2.527 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173741 ILHMMFSGBLUJRI-INIZCTEOSA-N 361.398 2.629 0 1 FFAF COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1ccc(O)cc1)[C@@H](C2)C3=O 587427280 CWERAWACBHNAET-UWJYYQICSA-N 353.418 2.995 0 1 FFAF CCN1C=C(C(=O)O)[C@@]2(NCCc3ccc(O)cc32)c2cc(OC)ccc21 963343762 WJNQTEBJYZULFW-NRFANRHFSA-N 366.417 2.599 0 1 FFAF CN(C)[C@H]1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772599380 UHIYATACPWKMNN-JYJNAYRXSA-N 367.501 2.515 0 1 FFAF Cc1nc(CC(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)cs1 11996511 JTCDXIUPMMNKBL-INIZCTEOSA-N 366.446 2.571 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]3[C@H]1C 169294543 ILXJSQQEACLYCI-KJTOFYPXSA-N 353.462 2.903 0 1 FFAF COC[C@@H](O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1 200201534 WZBUNBKEDCWYFZ-HNNXBMFYSA-N 356.447 2.629 0 1 FFAF CN(C)CCNc1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2 205628522 KMGGVNIEWOIXAE-UHFFFAOYSA-N 368.462 2.990 0 1 FFAF CC(=O)N1CC(Oc2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)C1 1857548376 WYODXZURIUXMNG-UHFFFAOYSA-N 369.400 2.823 0 1 FFAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049496 KXCNGHBAKLLPMA-WBVHZDCISA-N 362.788 2.679 0 1 FFAF CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(C(O)=CC(=O)O)c2C1 2356386425 ICXRSMFOBZJOEB-NSHDSACASA-N 360.362 2.654 0 1 FFAF Cn1nc(C(=O)Nc2cccc(F)c2)c2c1-c1ccccc1S(=O)(=O)C2 6738742 BIUJLWUJMXUDCW-UHFFFAOYSA-N 371.393 2.766 0 1 FFAF Cc1nn([C@@H](C)C(=O)NC[C@@H]2CCCO2)c(=O)c2c1sc1ccccc12 6799120 VYEJWWWSHYWHOZ-STQMWFEESA-N 371.462 2.776 0 3 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 101849454 NXUXUPDIDFKURE-KPFFTGBYSA-N 371.458 2.892 0 1 FFAF CC(=O)NCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O 28710375 ZKWZZEKOUDBPJP-UHFFFAOYSA-N 367.453 2.658 0 1 FFAF C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 66124545 HKTKPNWKGKKNNU-GFCCVEGCSA-N 367.361 2.914 0 1 FFAF O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCCNC2)c2ncccc12 28862368 DOJKPUAGTKRXCL-AWEZNQCLSA-N 359.426 2.933 0 1 FFAF Cc1oc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 28825973 ZYKINZZRJCNHSD-UHFFFAOYSA-N 371.525 2.939 0 1 FFAF COC(=O)N1c2ccccc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 72108519 GLOIILVAVSJIEX-LWILDLIXSA-N 366.417 2.578 0 1 FFAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1F 73199407 RQJIXHLPCMIMMU-UHFFFAOYSA-N 360.345 2.503 0 1 FFAF O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCCc2ccccc2)C1 40412507 WLYLALVBPQTHGP-UHFFFAOYSA-N 368.408 2.729 0 1 FFAF O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1 40955830 XNWBLSUDQWDOPY-UHFFFAOYSA-N 369.465 2.646 0 1 FFAF O=C1N[C@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 195513680 SFZWSXJPRKAORB-FCGDIQPGSA-N 367.401 2.970 0 1 FFAF NCc1noc(-c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc23)n1 142374972 XBOLDSIHPNCOOP-UHFFFAOYSA-N 371.404 2.779 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@H]23)cc1 95798040 PTKQWCOSPHHWRV-GIAPXEFRSA-N 362.473 2.891 0 1 FFAF CN1C(=O)[C@@]2(CC(C)(C)C(F)(F)c3ccc(-c4cncnc4)cc32)N=C1N 95603308 VCWNHNVDZQGTBB-SFHVURJKSA-N 371.391 2.647 0 1 FFAF CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)nc2c(C)nc(C)nc21 473153350 ASCQLRFAPIUNIQ-UHFFFAOYSA-N 367.453 2.987 0 1 FFAF N=C1N[C@]23CC[C@@H](NC(=O)c4cccc(Cl)c4)C[C@]2(COC3)CS1 473136102 XDMHBNONUZHFDP-COXVUDFISA-N 365.886 2.649 0 1 FFAF O=C(CCc1ccccc1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 299842672 IKLYYSXUXYWPPM-WOJBJXKFSA-N 354.450 2.572 0 1 FFAF COCCN1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587768674 MBZNQGVNEIYMKH-ZBEGNZNMSA-N 357.267 2.670 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCNCC3)cc1)O2 587397531 BQHNMIPOFLMFIV-OAQYLSRUSA-N 351.450 2.867 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2cc(Br)cnc2[nH]1 587228220 JKNUMJGGXJRWNJ-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF CC(C)(SCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)O 586958505 FARKWYDHVQAPRB-UHFFFAOYSA-N 373.438 2.719 0 1 FFAF COc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1=O 587588992 SSUNTBYJOZXXHG-FXAWDEMLSA-N 365.341 2.792 0 1 FFAF COc1ncc(F)cc1-c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 587176549 VBTUBZRVBBSZKA-UHFFFAOYSA-N 353.357 2.528 0 1 FFAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1 13441393 ZLVIQUHAKCYTKW-FQEVSTJZSA-N 372.424 2.749 0 1 FFAF COc1ccc(CC(=O)NCc2nnc(S)n2-c2ccc(F)cc2)cc1 13524425 MAVOAEYTLRJZNF-UHFFFAOYSA-N 372.425 2.563 0 3 FFAF C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1 15941919 VLTZYXZFTVVPPP-CYBMUJFWSA-N 358.463 2.980 0 3 FFAF O=C(O)C[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857631174 KGUAZSKOPLEOMN-CQSZACIVSA-N 373.748 2.850 0 1 FFAF C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]13COC(=O)CC[C@@]21C1=CCC[C@H]1CCC3=O 2356420843 PCJYGKKIPFQGPZ-KKTLQFGWSA-N 371.477 2.882 0 1 FFAF Cc1ccc(=O)n(-c2ccc(OCCCCCN3CCN(C)CC3)cc2)c1 103233160 MFFBFMHHTRJUBY-UHFFFAOYSA-N 369.509 2.942 0 1 FFAF O=C(c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 102988755 JCRNIQHNKNXICD-YHDCXSKOSA-N 352.478 2.981 0 1 FFAF O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1cccnc1 103294492 JSJDAGWNTZYYDX-IBGZPJMESA-N 372.384 2.935 0 1 FFAF Cc1ccc(CN2CC[C@H](CNc3ncnc4onc(C(=O)O)c34)C2)cc1 20847860 UGUGSQCCGKQMTB-CQSZACIVSA-N 367.409 2.558 0 1 FFAF COCCn1ccc2nc(C)c(C(=O)Nc3cccc(F)c3)cc2c1=O 21538685 ICKSJWQDYFBPAT-UHFFFAOYSA-N 355.369 2.743 0 1 FFAF COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 20452202 KINSGWJEXPGMEQ-MRXNPFEDSA-N 354.454 2.896 0 1 FFAF COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@H]1C2)OCO4 6484962 DESORMZUMYIKSG-CQSZACIVSA-N 353.374 2.728 0 1 FFAF biogenic Cc1ccccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95586793 WGRBWLMHNCASFQ-UHFFFAOYSA-N 371.418 2.873 0 1 FFAF O=c1ccc(-c2ccccc2)nn1CCN1CCN(c2ccccc2)CC1 98083250 GJDSMCSPHGVZQW-UHFFFAOYSA-N 360.461 2.733 0 1 FFAF CCCn1c(=O)c2[nH]c([C@@]34C[C@@H]5C[C@H]3C[C@@H](C5)C4)nc2n(CCC)c1=O 261512594 PJBFVWGQFLYWCB-WGPGMTKRSA-N 356.470 2.784 0 1 FFAF investigational CC1(C)OC(=O)C([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 587536852 XGUXCIUMESDEPM-FQEVSTJZSA-N 358.390 2.742 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(CN)c3)[nH]c2c1 587246132 DMCUMELGADHMBV-UHFFFAOYSA-N 358.467 2.767 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccn1)([C@@H]1CCCNC1)[C@@H](C2)C3=O 587440159 OUUYYIPTMLAABU-IVZHQMGZSA-N 350.418 2.733 0 1 FFAF NC(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587112180 PNJWPPGKLGISPU-UHFFFAOYSA-N 362.311 2.611 0 1 FFAF O=[S@@](CCCc1nc2cnncc2[nH]1)c1ccc(Br)cc1 586958534 FYDBSSIIWHSJCJ-NRFANRHFSA-N 365.256 2.856 0 1 FFAF CCOC(=O)c1cccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963018711 DSRJEGQWDBQQTL-ZSEKCTLFSA-N 365.433 2.575 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1cnc(N3CCCCC3)s1)N[C@H](C(=O)O)C2 963526253 NZIAJHKEWPGZBP-SUMWQHHRSA-N 373.478 2.836 0 1 FFAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\C=C1\N(C)c2ccccc2C1(C)C 3212353 NAGMYLVLKKXLBY-IVUDTHCKSA-N 357.457 2.668 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12 1772578511 UHUYYSMEVHNWOV-LLVKDONJSA-N 355.398 2.732 0 1 FFAF CN(Cc1ccccn1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11873330 JEVFDTYEBJKBLL-INIZCTEOSA-N 355.413 2.618 0 3 FFAF COc1c(O)cc(O)c(C(=O)c2c(O)cc(O)cc2O)c1CC=C(C)C 13539003 WIUKUSDTCLQHKZ-UHFFFAOYSA-N 360.362 2.963 0 1 FFAF Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1 14975582 AACWUFIIMOHGSO-UHFFFAOYSA-N 368.441 2.738 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 169299322 LPCKYGOUPHLYKM-DQTZRQEHSA-N 365.429 2.652 0 1 FFAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCCN1 169302638 LNOUDWPQEHYKOB-JKSUJKDBSA-N 360.408 2.786 0 1 FFAF COc1cc2c(cc1O)CCN(C(=O)[C@@H]1COc3ccccc3O1)[C@@H]2C 2458864 VCQCNRVHNYNRHN-BLVKFPJESA-N 355.390 2.687 0 1 FFAF CN(Cc1ccco1)c1cc(-c2cccc(NS(C)(=O)=O)c2)ncn1 4239264 RRCHQRXEYVJZES-UHFFFAOYSA-N 358.423 2.745 0 1 FFAF CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)ccc1C 58506464 QIIXXVGBJFWMRL-UHFFFAOYSA-N 368.481 2.765 0 1 FFAF COc1cc([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc2c1OCO2 27518417 XQNDTRBKUNNQHX-IBGZPJMESA-N 369.377 2.554 0 1 FFAF COc1cc(OC)c2c(c1)C(=O)O[C@@H]2Cc1cc(OC)c2c(c1)OCO2 2356443934 DYOKGLMAICYVHN-CQSZACIVSA-N 358.346 2.895 0 1 FFAF O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccs2)[nH]c(=O)c1O 28820276 AOVMSLZGYMUDKX-UHFFFAOYSA-N 366.402 2.615 0 1 FFAF COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc1OC 72112051 IATWXYMZKVGQLC-CGJGEUGISA-N 372.417 2.928 0 1 FFAF COc1ccc2c(c1O)CO[C@H]1C(=O)c3ccc(OC)c(OC)c3O[C@H]21 73139974 NPLRFSWZYOARFO-APWZRJJASA-N 358.346 2.633 0 1 FFAF biogenic CC(C)[C@@]12CC[C@@](C)(O1)[C@@H]1CC[C@@](C)(O1)[C@@H](O)C[C@@H]1O[C@@]1(C)[C@H](O)C2 473154262 FWUKIAFAAFHKRT-NCSOOZNJSA-N 354.487 2.561 0 1 FFAF CS(=O)(=O)c1cc(F)ccc1-n1ncc2ccc(Cl)cc2c1=O 587651091 BXTXXNITJWYPJC-UHFFFAOYSA-N 352.774 2.582 0 1 FFAF COC(=O)c1ccc(C=O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442302 JQLSJBSLXGJGPI-DNVCBOLYSA-N 352.342 2.783 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240797 WZTYQFOMDADDGA-LCCAYYTGSA-N 373.457 2.908 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCOc4cc5c(cc41)OCO5)[C@@H](C2)C3=O 587454221 RVHPPYYGPXRDCN-RBZFPXEDSA-N 352.342 2.849 0 1 FFAF COC(=O)C[C@@]1(C(C)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520413 AOHPYUIKBMKXLH-HXUWFJFHSA-N 362.422 2.842 0 1 FFAF CCS(=O)(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154480 PXFQBEFSTRTKNO-UGSOOPFHSA-N 359.426 2.837 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4c(F)cccc41)[C@@H](C2)C3=O 587429367 UODUHZAXTIITAX-ORAYPTAESA-N 374.389 2.655 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1c(C)[nH]c(O)c1CC(=O)O 963268882 ACZSJZMWDHLALG-SFHVURJKSA-N 364.829 2.727 0 1 FFAF O=C1COC(CN2CCCC2)=C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963108133 KTTGRKCMANOZTB-UWJYYQICSA-N 356.441 2.621 0 1 FFAF CC(=O)Nc1nc(C)c([C@@]2(C)c3ccsc3CCN2C(N)=O)s1 962707948 IWPIRYPMDQEJDV-OAHLLOKOSA-N 350.469 2.672 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccccc1OCC(=O)O 963614810 YXQKRSCTHSQTJS-FKIZINRSSA-N 357.406 2.791 0 1 FFAF COC[C@@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 11933332 HRBKYRBJJADDEQ-GFCCVEGCSA-N 365.817 2.801 0 3 FFAF O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1 1548559 HCLMLIZWYIZMGK-UHFFFAOYSA-N 354.410 2.576 0 1 FFAF CN(C)CC[C@](O)(c1ccccc1)[C@](O)(CCN(C)C)c1ccccc1 1629522 HYNGDQGXSYCJPT-VXKWHMMOSA-N 356.510 2.665 0 1 FFAF COc1cccc(CNC(=O)Cn2cc3c(n2)CCCCCC3)c1OC 6806929 RIKRCCVFRMQTGR-UHFFFAOYSA-N 357.454 2.876 0 1 FFAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101282939 WSFPEOPUUJFNEF-YSFYHYPLSA-N 371.569 2.967 0 1 FFAF c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@H]2NN=N[C@@H]23)cc1 102981774 USZKXDLHMKNUDS-YRXWBPOGSA-N 351.406 2.995 0 1 FFAF CCOC(=O)C(=O)[C@H](C(=O)c1ccc(OC)cc1OC)c1ccccc1 103211436 VERNEFOLJKCPLU-KRWDZBQOSA-N 356.374 2.803 0 1 FFAF CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1 26725886 SVRAGOOKTLUHES-UHFFFAOYSA-N 352.417 2.995 0 1 FFAF CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 26826864 VUNCADMBSQOCKP-UHFFFAOYSA-N 358.442 2.620 0 1 FFAF COC(=O)c1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1 28955658 JXFNOYWXKCDHGQ-UHFFFAOYSA-N 353.466 2.880 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNC(C)C)O3)no2)cc1 2356312741 JEBNURKFIPMVIQ-BJLQDIEVSA-N 360.454 2.799 0 1 FFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCC2)nc1 28883788 VEYKZDCCZOITCB-UHFFFAOYSA-N 360.361 2.654 0 1 FFAF S=c1[nH]nc(Cc2nc(-c3ccccc3)no2)n1CCCn1ccnc1 64528190 SUALISCBUKWQFB-UHFFFAOYSA-N 367.438 2.868 0 1 FFAF CC(=O)OCC[S@@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 36271559 ZUHFHBFMBYNBLT-JCEJCQQGSA-N 357.903 2.687 0 1 FFAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 34961880 JSDWWNLTJCCSAV-GCVYGESESA-N 372.502 2.993 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 257529104 RCEFXZXHYFOPIE-ASYGMMCQSA-N 352.434 2.567 0 1 FFAF CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)C(C)=O 473168998 LUNICCPZBKNODU-UHFFFAOYSA-N 363.417 2.632 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)[nH]n1 587870254 ZKPUHBPWVQKBRY-UHFFFAOYSA-N 351.288 2.693 0 1 FFAF COC(=O)Nc1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587244818 MJNWXHGUNFHCPR-UHFFFAOYSA-N 374.422 2.659 0 1 FFAF O=C(N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587201983 FCIGVNPUAPFMAA-GFCCVEGCSA-N 374.784 2.533 0 1 FFAF COC(=O)c1cc(Cl)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 587256750 QXHAHDWXZOABMO-LLVKDONJSA-N 367.833 2.605 0 1 FFAF CCCC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634092 JAOSLAVSHBAYAE-ZUOKHONESA-N 363.454 2.756 0 1 FFAF COC(=O)c1occc1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975695 MMOUJFFFIBLCNX-MFKMUULPSA-N 371.723 2.686 0 1 FFAF CC(C)N(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)CN 1772627295 DEADKHSVTMRCHL-UHFFFAOYSA-N 367.493 2.886 0 1 FFAF NCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14966855 BJPCOPXWUUFQEY-CYBMUJFWSA-N 371.300 2.671 0 1 FFAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)ccc2[nH]1 205650019 YEBLRZXRMUUIIX-UHFFFAOYSA-N 361.409 2.804 0 1 FFAF NC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O 1259050396 SBOPHYODWXPKLL-UHFFFAOYSA-N 368.414 2.959 0 1 FFAF COc1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c(OC)c1 3911733 SRIGVHNMYKTHCC-UHFFFAOYSA-N 366.417 2.826 0 1 FFAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4049429 UBPVGRWMVYZWKC-PKOBYXMFSA-N 355.438 2.829 0 1 FFAF COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238272 CAAONFUFSWEJAT-CYBMUJFWSA-N 372.812 2.695 0 1 FFAF CCCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103216422 OVAQLCQYEGUAMX-SMDDNHRTSA-N 354.838 2.995 0 1 FFAF CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCSCC3)c(F)c21 28759493 SXNBIORCHYGJQT-UHFFFAOYSA-N 372.368 2.690 0 1 FFAF CC[C@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28114069 CQSXDXGZMHUYRJ-SUMWQHHRSA-N 357.458 2.853 0 1 FFAF CC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 26438647 QYVJVKVNQLIHAQ-AWEZNQCLSA-N 369.391 2.869 0 3 FFAF O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccccc3Cl)c12 114871264 XZBMMMCYZZBWKP-UHFFFAOYSA-N 373.748 2.633 0 1 FFAF COc1cc(CCCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2CO 15169048 DCZADIFTWXUYRT-DNVCBOLYSA-N 358.390 2.558 0 1 FFAF biogenic N=C(Nc1ccc2c(c1)N(CCN1CC[C@@H](O)C1)CC2)c1cccs1 73297344 AVKIYLJMBVXUEY-MRXNPFEDSA-N 356.495 2.615 0 1 FFAF N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@H](Nc1ccccc1)C(=O)O 40617131 PWMZFDAURAUTAR-IRXDYDNUSA-N 362.366 2.740 0 1 FFAF CCOC(=O)CCc1nc2nc(N(C)C3CCCCC3)ccc2[nH]c1=O 82231311 XIOSSMFJTRGGJH-UHFFFAOYSA-N 358.442 2.583 0 1 FFAF CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82136320 JEYBJIWLGVUTNL-UHFFFAOYSA-N 372.444 2.847 0 1 FFAF C[C@@]1([C@H]2C[C@@H](c3ccoc3)O[C@@H]2O)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C 238733650 ZTZQURAKDHKLSW-IMDGIPCPSA-N 360.406 2.875 0 1 FFAF COC(=O)c1c(C)cc(OC(=O)c2c(C)c(O)cc(C=O)c2O)c(C)c1O 238775061 CLXBGZHFHKNPHQ-UHFFFAOYSA-N 374.345 2.547 0 1 FFAF CCCc1cnc(N2CC(Oc3ccc([C@@H](C)NC(C)=O)cc3)C2)nc1 142229380 QYCRPOXJBLWIBK-CQSZACIVSA-N 354.454 2.894 0 1 FFAF COc1cc(OC)c2c(C)c(C(=O)Nc3ccccn3)oc2c1C(N)=O 96933648 ISONAXHTJUXKNR-UHFFFAOYSA-N 355.350 2.505 0 1 FFAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@@H]2C[C@H]([C@H](C)O)[C@H]1[C@H]3C2 238745001 MPZAXUXGFQVJBO-ZJNYHQCFSA-N 356.466 2.916 0 1 FFAF COCCN1C(=O)COc2ccccc2[C@H]1C(=O)Nc1c(C)cccc1C 95600915 IYCRYGSQMAYJEY-FQEVSTJZSA-N 368.433 2.851 0 3 FFAF COc1ccc2c(c1OC)C[C@H]1NCCc3c(OC)c4c(c-2c31)OCO4 40848007 CUYKKCDYAVFQQG-CYBMUJFWSA-N 355.390 2.851 0 1 FFAF biogenic O=C1CC=C(c2nc3ccc(CCO)cc3[nH]2)NN1Cc1ccc(F)cc1 587164628 UHLSZTDONWFBHZ-UHFFFAOYSA-N 366.396 2.515 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1 586935431 GVOIYFFKRUIPPH-UHFFFAOYSA-N 373.360 2.659 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587829600 RIBLMGQTZHXXRB-MMCCBHBPSA-N 366.230 2.914 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(CN3CCCC3)OCC1=O)CC2=O 587476518 VETQGCUDYGIMRL-NRFANRHFSA-N 371.433 2.628 0 1 FFAF CN[C@H]1c2cc3ccn(S(=O)(=O)c4ccccc4)c3cc2[C@H]1CCO 1772600805 GNYULWALHKFYNF-DNVCBOLYSA-N 356.447 2.618 0 1 FFAF CCN(CC)CCN(C)C(=O)CCc1nnc(-c2ccc(C)s2)o1 11813118 YEUZALASTZOLQN-UHFFFAOYSA-N 350.488 2.839 0 3 FFAF CC(C)C[C@H](CO)Nc1nc(OCc2ccccc2)nc2[nH]c(=O)sc12 14209982 KJEUTTLHSRWQMD-CYBMUJFWSA-N 374.466 2.778 0 1 FFAF CN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203540943 SAFUJJVYTDTQRO-ZDUSSCGKSA-N 372.375 2.788 0 1 FFAF COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(N)cc2)cc1 1223033 KCJYQYRMWMIIPG-INIZCTEOSA-N 350.465 2.714 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)[C@@H]1CC=C[C@@H]32 2356400702 HKBMNOPNVQFUSG-CMJCVQFHSA-N 358.390 2.534 0 1 FFAF CCOC(=O)c1ccc(NC(=O)c2cc3cccc(O)c3oc2=O)cc1 58626814 MJHUWBVXXNBASC-UHFFFAOYSA-N 353.330 2.928 0 1 FFAF Cc1cccc2c1N[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2 101032639 WUSUQKHDEJIFEV-SANMLTNESA-N 374.341 2.526 0 1 FFAF COCCn1ccc2nc(C)c(C(=O)Nc3ccc(F)c(F)c3)cc2c1=O 21538707 OSAIDKLEQWMANN-UHFFFAOYSA-N 373.359 2.882 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C]3c4[nH]c5ccccc5c4C=CN3C[C@H]2CC[C@H]1O 2356824373 AHBMMSMODVSWLF-VBRXXALCSA-N 351.426 2.914 0 1 FFAF COc1cc(OC)cc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c1 28567558 UTFQOQJQAMSKKS-UHFFFAOYSA-N 371.393 2.977 0 1 FFAF COc1ccc2c(c1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@H]1C2 14676858 HGOULPVLENVPRT-XVGQJIODSA-N 368.385 2.910 0 1 FFAF biogenic O=C1OC[C@]23CC[C@H]4C(=O)O[C@@H]5O[C@H](c6ccoc6)C[C@@]54[C@H]2CCC=C13 86002107 DDPSPQFNPQHPCV-ITDKPELASA-N 356.374 2.900 0 1 FFAF Cc1cc(C)c2c(=O)n(CN3C[C@@H]4c5ccccc5N[C@H]4C3)sc2n1 254080625 WPBHZIGUJVFMIY-ZBFHGGJFSA-N 352.463 2.926 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)C2)N1 587843871 KRAXWVQUNKNUDU-OTYXRUKQSA-N 362.264 2.526 0 1 FFAF COC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 587007506 ZYQMEGYSJZDTSG-UHFFFAOYSA-N 372.182 2.822 0 1 FFAF COc1nccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587039504 YEHAGEIXMYGFLI-VIFPVBQESA-N 370.438 2.714 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)O)ncc12 1772630025 YRUFZYHDBCTTDO-OAHLLOKOSA-N 373.388 2.739 0 1 FFAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@H](O)CC(=O)[C@]21C 1772647285 VNSZDCAXCXZALO-XSTTYIRUSA-N 364.526 2.927 0 1 FFAF O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1 13588772 BFXROLSTCOFFGC-UHFFFAOYSA-N 372.428 2.722 0 1 FFAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2O)O3)O1 205499873 SQEVPBLXSXPBPD-RBUKOAKNSA-N 370.357 2.665 0 1 FFAF Cc1ccc(-c2c(C)noc2CO)cc1S(=O)(=O)NC1CCCC1 1857553492 DOQWTKNYIHMNLV-UHFFFAOYSA-N 350.440 2.672 0 1 FFAF Oc1nncc(N2CCN(CC3CCCCC3)CC2)c1Br 1857573295 KWAXXVGLFADKRW-UHFFFAOYSA-N 355.280 2.647 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCC=CCOc2cccc(F)c21 1857626673 ZTHWPJIQTINHPT-INIZCTEOSA-N 371.364 2.579 0 1 FFAF C[C@@H]1CN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857646652 LWBGFYMVAIWBQD-BXUZGUMPSA-N 359.376 2.847 0 1 FFAF Cc1nccc2[nH]c(=O)c(C(=O)NCCCN(C)C3CCCCC3)cc12 3061731 JEJOBHANOSSWJS-UHFFFAOYSA-N 356.470 2.616 0 3 FFAF C[C@@H](CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1 6822407 JABYEKSTWVBNIU-ZDUSSCGKSA-N 365.389 2.923 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 101272576 LHQSXNQSQNPTRT-LMSBXDPUSA-N 368.433 2.774 0 1 FFAF CCCCCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O 66078634 USZKBPIOHOFYGO-UHFFFAOYSA-N 361.471 2.880 0 1 FFAF CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2356572917 SLWSWKGGZQCLDU-NJAFHUGGSA-N 373.449 2.846 0 1 FFAF COCC=Cc1cc(O)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356629204 VHVQTNBRDOVOOA-HNAYVOBHSA-N 358.390 2.976 0 1 FFAF CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@H](O)C3=O)O1 5424893 IQOIPKBZJPSWAV-QZTJIDSGSA-N 356.374 2.879 0 1 FFAF biogenic Oc1ccc(C2=C(c3ccc4c(c3)OCO4)[C@H](O)[C@@H]3CCCN3C2)cc1 14654223 NOTLGAMDIPCZJL-LAUBAEHRSA-N 351.402 2.871 0 1 FFAF biogenic CNc1cc(-c2[nH]c(SC[C@@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40861553 YBUVIQHAACPGDR-AWEZNQCLSA-N 374.441 2.765 0 1 FFAF CCOC(=O)C1=C(NCc2ccccc2)N=C(c2ccccc2)N2CCN=C12 45299973 HKYCNLVYXPSQOZ-UHFFFAOYSA-N 374.444 2.725 0 1 FFAF CNCCCN1Cc2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O 49049102 NJGYZOMKDMARER-UHFFFAOYSA-N 367.421 2.773 0 1 FFAF O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 195385329 RIMRKDGYTXWJAT-FIXIBIHLSA-N 365.414 2.707 0 1 FFAF COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)cc1 40935343 OBLRVYFAEFJDHJ-UHFFFAOYSA-N 356.447 2.575 0 1 FFAF CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82139493 PGBBKELQKCXCBF-ZDUSSCGKSA-N 358.417 2.966 0 1 FFAF c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(-c2cn[nH]c2)n1 96176076 JLIVKQFHGDSURH-UHFFFAOYSA-N 361.405 2.776 0 1 FFAF CCC[C@H]1OCCn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 473085484 WUMZHNXUZKMWBX-CQSZACIVSA-N 353.422 2.577 0 1 FFAF Cc1c(C(=O)CSc2nc3ccccc3[nH]2)[n+](=O)c2ccccc2n1O 653827655 BUCJTFDKGWUROH-UHFFFAOYSA-N 367.410 2.953 0 1 FFAF CC[C@@H](C)n1ncc(I)c1-c1nc2ncncc2[nH]1 587181632 XSHKBSOIRPRUQY-SSDOTTSWSA-N 368.182 2.792 0 1 FFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1ccc(Cl)cc1 587368203 FAIHDCQGDUBKOQ-UHFFFAOYSA-N 354.757 2.646 0 1 FFAF O=C(NCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)OCc1ccccc1 587228044 GALKQMZVYODUMO-UHFFFAOYSA-N 365.315 2.792 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(O)cc2[nH]1 586964674 BIMVGOLJGBRKKX-UHFFFAOYSA-N 369.454 2.725 0 1 FFAF COc1cc2nc(-c3nccnc3I)[nH]c2cc1C 587186651 NAGWLMMVDXNEOK-UHFFFAOYSA-N 366.162 2.942 0 1 FFAF Cc1cc(Cl)cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586958205 GOBLFLAGJVQUAC-INIZCTEOSA-N 365.842 2.994 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CCCC[C@H]1S(C)(=O)=O)N(C)[C@H](C)C2 962641578 SUVRJMYCMDGRPH-ZNOIYHFQSA-N 367.511 2.763 0 1 FFAF C[C@H](Oc1ccccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32)C(=O)O 963032772 SPUUZGCJCUMQTN-RDXCRGQUSA-N 366.417 2.681 0 1 FFAF O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CCN(Cc1ccc(CO)o1)C2 12579537 ZOUANCQGPSTPTJ-NRFANRHFSA-N 372.440 2.926 0 1 FFAF O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 1912816 YUOOYQDBXTWPKL-UHFFFAOYSA-N 360.782 2.588 0 1 FFAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1 4617890 ATDJWAWLZURHME-UHFFFAOYSA-N 359.769 2.916 0 1 FFAF C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncc(F)c3)ccc1O2 103253283 MXBGLDSLXJVVHS-IHPCNDPISA-N 369.396 2.616 0 1 FFAF O=C(N[C@@H]1CCN2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2C1)c1cccs1 8378244 JLHFKPCNGPSRHM-TZMCWYRMSA-N 373.409 2.617 0 1 FFAF biogenic O=C(NCCCN1CCCC1)[C@H]1CCCN(c2nc3ccccc3o2)C1 8662109 YXXPFXDCCAQHMG-INIZCTEOSA-N 356.470 2.646 0 1 FFAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27755013 FNKNQFGGIZMZKI-GGPKGHCWSA-N 371.525 2.772 0 1 FFAF CC(=O)NCCNc1nc2cc(-c3ccccc3C)sc2c(=O)n1C 61906405 IRHXTFBKKOPDEW-UHFFFAOYSA-N 356.451 2.518 0 3 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356557687 XNRNNGPBEPRNAR-STEXWYFWSA-N 370.486 2.769 0 1 FFAF C[C@@H](c1cccc(N)c1)n1c(Br)nc2c(N(C)C)ncnc21 29560071 MGQSSZKPOJDQEQ-VIFPVBQESA-N 361.247 2.846 0 1 FFAF CCc1cnn2c(NC3CC3)nc(Nc3cccc(NC(C)=O)c3)nc12 28707982 PAQVORBGYKGQGU-UHFFFAOYSA-N 351.414 2.963 0 1 FFAF O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]21 12153753 AWLJZFUREZNLGG-ARALLLCVSA-N 370.357 2.538 0 1 FFAF biogenic O=C1C[C@@](O)(c2ccccc2)[C@@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 14884346 ANQCWAZGTFETKF-NHCUHLMSSA-N 364.353 2.657 0 1 FFAF biogenic Nc1ccccc1[C@@H](O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1 1911583949 OLCBGBWDJYWHRN-IBGZPJMESA-N 354.431 2.665 0 1 FFAF Cc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 71928000 UBKFBQJOSCPGTD-AWEZNQCLSA-N 371.466 2.581 0 1 FFAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 82083940 LBUIKZMIGULBNK-LBPRGKRZSA-N 366.439 2.881 0 1 FFAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2CCc1ccc(Br)cc1 261140414 MYVMDLNNVMLPQJ-SSPZCJPESA-N 358.279 2.752 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 586918067 WAIMVXFVMSRVDF-BTDLBPIBSA-N 356.407 2.564 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N(C)C)cc1)(C(O)O)CC2=O 587467533 DYKYYLRBTYHWOJ-NRFANRHFSA-N 371.433 2.582 0 1 FFAF O=S(=O)(O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587034003 BHYQAUVAIZJYOE-CYBMUJFWSA-N 350.421 2.728 0 1 FFAF O=C1COc2cc3[nH]c([C@H]4CS[C@@H](Cc5ccccc5)N4)nc3cc2N1 587043111 YEDVJECJSICSKH-QAPCUYQASA-N 366.446 2.840 0 1 FFAF CS(=O)(=O)C[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587532152 NOGJZKDRFYSKPD-HXUWFJFHSA-N 371.458 2.866 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)(=O)CC2)N1 587845480 RIPLFOVWAGSUOT-VIFPVBQESA-N 362.264 2.526 0 1 FFAF Cn1ncc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C1CC1 962981686 VPZXLXNFUVZKQQ-DOMZBBRYSA-N 367.783 2.917 0 1 FFAF CC(=O)[C@H]([C@H]1CCC(=O)N1)[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963126951 YDHOKZGYQZOZIS-OIISXLGYSA-N 355.265 2.838 0 1 FFAF CCCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 13901536 SKABRRBNTBHDTE-INIZCTEOSA-N 366.259 2.691 0 1 FFAF O=N[C@H]1CCc2cc(-c3cn(C[C@@H](O)CO)nc3-c3ccncc3)ccc21 169686115 CRTJFFQEWFIJPJ-APWZRJJASA-N 364.405 2.719 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)N=O 169713204 XLNXVJZECOAZJD-LLVKDONJSA-N 356.854 2.528 0 1 FFAF COc1cc(/C=C\C(=O)NCC(=O)c2c[nH]c3ccc(O)cc23)ccc1O 200368953 CXZBWXCAWJVVHH-CLTKARDFSA-N 366.373 2.600 0 1 FFAF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 104267359 YMTWNUQMSIPQAH-FOGDFJRCSA-N 351.305 2.702 0 1 FFAF CCC1=Nc2ncnn2[C@H](c2cc(OC)c(OC)cc2OC)/C1=C(/O)OC 103539547 AJRIHCRQXSNXRL-CFBLSMTOSA-N 374.397 2.805 0 1 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 104693927 OIYCWTQZPWNLSW-HNNXBMFYSA-N 371.396 2.633 0 1 FFAF CNc1cccc2c1C(=O)[C@H]1[C@H](C2)C(C)(C)N2C(=O)C(C(C)=N)=C(O)[C@@H]12 2356323889 FWPNUKOTCRYVIK-KNXALSJPSA-N 353.422 2.554 0 1 FFAF COC(=O)CSCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 28097098 VIXOIHNXULXOAA-QGZVFWFLSA-N 371.458 2.503 0 1 FFAF Cc1cccc2c1c(Cc1nn(CC(=O)O)c(=O)c3ccccc13)cn2C 68198727 ANCZYUBQVBTXII-UHFFFAOYSA-N 361.401 2.872 0 1 FFAF Cc1ccc(CCCNC(=O)Cc2ccc(NS(C)(=O)=O)cc2)cc1C 28461277 TWTHGYUHHYKVKM-UHFFFAOYSA-N 374.506 2.966 0 1 FFAF CO[C@@H]1CO[C@H](Oc2cc(C)c3c(c2)C(=CCl)CCN3)[C@H](OC)[C@@H]1O 2356462601 YDKCHRURWAZULR-VDHUWJSZSA-N 369.845 2.516 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H](O)[SH](=O)=O 2356646964 VRJYJHPMOLIEMS-QFHQRVFTSA-N 367.555 2.823 0 1 FFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(-c3ccccc3)nn2)cc1 2356845925 OIVGIZBBWFUXOK-CGXNFDGLSA-N 363.417 2.869 0 1 FFAF NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)nc2)cc1 84632329 SVTFZHFNSXCIJQ-UHFFFAOYSA-N 353.403 2.648 0 1 FFAF O=C(OCCO)c1c(C2=CCCCC2)oc2c1[C@@H](OCCO)CCC2 96020765 SOXAFNXEDJSSFQ-AWEZNQCLSA-N 350.411 2.772 0 3 FFAF Cc1nc(N2CC(c3nc4cccc(C)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143129131 PFWMZEJCZWZAII-UHFFFAOYSA-N 374.452 2.771 0 1 FFAF Cc1ccc(NC(=O)c2cc(O)c3cccc(NS(C)(=O)=O)c3n2)cc1 95586032 YTKITQWYGSHZAS-UHFFFAOYSA-N 371.418 2.873 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@@]13COC(=O)C1=CCC[C@@H]32 238784683 HCFZFECEGOZSEN-OQTPBVATSA-N 358.390 2.534 0 1 FFAF biogenic CN1[C@@H](Cc2ccccc2)COc2cccc(N3CCCC3)c2S1(=O)=O 96020513 BTYXFXHYBVGBDS-KRWDZBQOSA-N 372.490 2.911 0 3 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@@]34CC(=O)[C@H]1C[C@@]23Cc1ccc(O)cc14 254133679 WWZJATZYCGKHLQ-KPQYALRZSA-N 351.446 2.609 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2cc(N)c(N)cc2[nH]1)C[C@@H]1CCCO1 587197127 JJSQWXRTLRSFIX-NSHDSACASA-N 361.446 2.643 0 1 FFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587786986 UAJFAICGZLTSKL-ZJUUUORDSA-N 358.448 2.874 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(N)=O)CC2=O 587467628 BIRZCWWMZXLROI-GOSISDBHSA-N 355.390 2.915 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 587234003 YXLVJENZEJHJGJ-YUMQZZPRSA-N 351.432 2.508 0 1 FFAF CCS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587447898 GDPDAQYOLVMTLK-DNVCBOLYSA-N 358.415 2.978 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(Cc4ccncc4)CC1)[C@@H](C2)C3=O 587440027 XYTHZFYBBFCHKD-KRWDZBQOSA-N 350.418 2.872 0 1 FFAF C[C@]1(c2ccncc2O)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707132 OKYOFRDLBNQHFD-XJKSGUPXSA-N 370.302 2.808 0 1 FFAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCc2ccccc2C1 5034282 PELGMLMAQDPWRN-UHFFFAOYSA-N 359.385 2.728 0 3 FFAF aggregator Cc1ccc2c(=O)n(Cc3nc4ccccc4s3)nc(CC(=O)O)c2c1 13860796 JPPGUHDVKJCXQI-UHFFFAOYSA-N 365.414 2.990 0 1 FFAF C[C@@H]1C[C@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162497 ZYJCMELXLDUBCU-POVZTTQPSA-N 358.390 2.534 0 1 FFAF CCCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1 169334054 QTEQBQFVPQQSDK-MRXNPFEDSA-N 350.459 2.756 0 1 FFAF O=C(N[C@H]1CCC[C@@H]1O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166229258 HDSPLTHHRILVJR-OALUTQOASA-N 365.433 2.878 0 1 FFAF C[C@]1(C(=O)NC[C@H](O)c2ccccc2)CON=C1c1cccc(Cl)c1 772717 GUQIPQUQNMLHQN-LPHOPBHVSA-N 358.825 2.930 0 1 FFAF CCc1c(CC(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1 2004560 YNIHIMLFYUSBMR-UHFFFAOYSA-N 366.417 2.584 0 1 FFAF CCc1ccc(CNC(=O)CN(C)c2nnc(-n3cccc3)s2)cc1 6806067 KPBWPNFQTLSOPH-UHFFFAOYSA-N 355.467 2.644 0 1 FFAF CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(\C)CC/C=C(\C)CC[C@H]32)CC1 101502116 MBHDDUWLICMNCR-SLNIIKKASA-N 360.498 2.775 0 1 FFAF COc1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc1OC 28523116 OWRZMKOTFZUMOL-UHFFFAOYSA-N 368.389 2.886 0 1 FFAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27755040 FNKNQFGGIZMZKI-BJLQDIEVSA-N 371.525 2.772 0 1 FFAF CC(C)(O)[C@H]1Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3cc2[C@@H]1O 2356742609 LKYMSFJODNTXFB-OALUTQOASA-N 354.358 2.731 0 1 FFAF CN1[CH]C=CC(c2ncc(-c3ccc(OC[C@@H](O)C(C)(C)O)cc3)o2)=C1 2356861780 VWTHHNHFGGPALL-GOSISDBHSA-N 355.414 2.856 0 1 FFAF Cc1nocc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 225554452 URBIUUIWINDBAW-UHFFFAOYSA-N 362.393 2.820 0 1 FFAF CCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1 40954490 ZDKAQGINSFSQDO-UHFFFAOYSA-N 353.426 2.838 0 1 FFAF COc1ccc([C@H](O)[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 40563722 KLRIVPGGWAEQKR-PMACEKPBSA-N 359.422 2.641 0 1 FFAF C[C@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142988996 DHTRSJIKOUWOPE-SNVBAGLBSA-N 356.348 2.778 0 1 FFAF c1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(N2CCOCC2)c1 96168886 QRBFEDYENCUANS-UHFFFAOYSA-N 362.433 2.734 0 1 FFAF CNC(=O)[C@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 473137229 XABFBMUAEKKTJT-MRXNPFEDSA-N 362.788 2.562 0 1 FFAF Cc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 586955733 USMZJYWHBSNGLD-UHFFFAOYSA-N 362.842 2.981 0 1 FFAF CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395937 WIEXVORCUYEDFX-YCRPNKLZSA-N 366.417 2.877 0 1 FFAF O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587593238 IMGSUGWHIFGLQT-YURKBZCXSA-N 365.385 2.639 0 1 FFAF CC1(C)C[C@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596264 QFQBCCGTZCBHKZ-UZLBHIALSA-N 353.374 2.781 0 1 FFAF O=C1COc2cc3[nH]c([C@H](O)c4ccc(Br)cc4)nc3cc2N1 586994743 AHUXSRYZKOSFKI-OAHLLOKOSA-N 374.194 2.738 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn(C)nc1C 587868142 GZZSTJLKGOWLDG-UHFFFAOYSA-N 365.315 2.703 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1COC(=O)C1)[C@@H](C2)C3=O 587453619 PIUOMXMREOXMCB-HTZUNMPGSA-N 350.370 2.901 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155550 NXOCPIXESLUVKQ-UHFFFAOYSA-N 370.203 2.930 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587087697 FOWZNYMIHHZXLR-JTQLQIEISA-N 370.425 2.563 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccccc1OCC(=O)O 963614816 YXQKRSCTHSQTJS-YUNKPMOVSA-N 357.406 2.791 0 1 FFAF CN1CCc2cn(C)nc2[C@@]1(CCCC(=O)O)c1cc(F)c(F)c(F)c1 963953967 DYRRJUKJDLOSJD-GOSISDBHSA-N 367.371 2.824 0 1 FFAF O=S1(=O)CC[C@@H](NCCOc2cc(F)ccc2F)c2ccccc21 205699253 RQUJRGDECNEQHO-OAHLLOKOSA-N 353.390 2.852 0 1 FFAF CCN1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O 13492832 SEYPTDWWMFLLKF-UHFFFAOYSA-N 370.192 2.957 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 14649876 TYPMTMPLTVSOBU-AGAZHLLFSA-N 352.434 2.963 0 1 FFAF Cc1cnn(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 207225394 ICBDOFIFSZRAGQ-UHFFFAOYSA-N 369.874 2.614 0 1 FFAF Cc1noc(C)c1-c1ccc2nc(NC(=O)C[C@H]3CCN(C#N)C3)cn2c1 1857584261 ACFBKIRZSKQCAR-CQSZACIVSA-N 364.409 2.738 0 1 FFAF CN(C)[C@H](CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cn(C)c2ccccc12 4082914 NSLSUEQHSJDZJE-TXPKVOOTSA-N 351.450 2.732 0 3 FFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)c2ccccc2)CC[C@@]1(C)O 2356288633 IFPSLPNCXWJTBQ-QKNQBKEWSA-N 352.434 2.530 0 1 FFAF Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3c2CCCC3)nn1C 61906134 BXOVSHGGPBRCGD-NRFANRHFSA-N 366.465 2.851 0 3 FFAF C/C=C\[C@@H]1C[C@H](C(=O)OC(C)C)N[C@H]1[C@@H](NC(C)=O)[C@](C)(CCC)OC 66258806 XCZDPSSWSWROBD-NQCMTIKDSA-N 368.518 2.571 0 1 FFAF COc1cccc2[nH]c3c([C@@H]4[C@@H](C(C)(C)O)CC[C@@]4(O)CO)nccc3c12 2356603735 NDJNRBQJLNVWPV-IBNJYYFUSA-N 370.449 2.713 0 1 FFAF N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 2356863529 URIBLDHSENNEEW-BRSBDYLESA-N 356.378 2.521 0 1 FFAF CCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21 38142848 UWTNNSBXJGPMHX-UHFFFAOYSA-N 364.449 2.993 0 1 FFAF O=c1[nH]cnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3 43015295 CMKHSWRHTOSALP-UHFFFAOYSA-N 372.413 2.879 0 1 FFAF CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1 45340328 SROACNIUVKMQEQ-UHFFFAOYSA-N 367.284 2.730 0 1 FFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 82196060 DVZUTMLPXFVZCU-UHFFFAOYSA-N 366.421 2.597 0 1 FFAF CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@H]24 49111902 GLLCWAAMMJOGIH-VXRMTAITSA-N 362.429 2.737 0 1 FFAF CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224411 JAGFRQJTZKSUHO-MRXNPFEDSA-N 356.470 2.893 0 1 FFAF COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)C2 85914128 OMOJYWBCXLIBOL-SESVDKBCSA-N 374.433 2.861 0 1 FFAF biogenic CN(C)C(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587197659 ROFOFFJBPPYLNF-UHFFFAOYSA-N 366.137 2.855 0 1 FFAF CCc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586954696 FPNGDSRQQYTRCK-UHFFFAOYSA-N 370.478 2.692 0 1 FFAF O=C(N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)C(=O)O)OCc1ccccc1 587203006 MJIGYDNFEWBUMR-LBPRGKRZSA-N 374.784 2.533 0 1 FFAF Cc1ccc(F)cc1[C@@]1(C(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963025352 MHEMFGVCCGBKFJ-ODXCJYRJSA-N 354.381 2.516 0 1 FFAF COc1ccc2c(c1)[C@H](C1=C(C)N=C3N=CNN3[C@@H]1C)N(C(C)C)CC2 962090402 KYGJBXNTEQRYDW-AUUYWEPGSA-N 353.470 2.883 0 1 FFAF CCOC(=O)C[C@@H]1O[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 169293899 JRDPYMUGXIWUEZ-BBWFWOEESA-N 367.467 2.606 0 3 FFAF O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3sccc3F)n2)ncc1F 207704679 SDWIWEAJPNCSAE-UHFFFAOYSA-N 361.333 2.676 0 1 FFAF O=c1cccc2n1[C@@H]1C[C@H](C2)CN(C[C@H](O)CCCc2ccccc2)C1 1857638969 MCMLLYNXDSNKTO-CEWLAPEOSA-N 352.478 2.651 0 1 FFAF CC1CCN(Cc2c(-c3ccc(Br)cc3)no[n+]2[O-])CC1 1857759548 BBOANPFNCOJTMT-UHFFFAOYSA-N 352.232 2.969 0 1 FFAF O=C1CCSc2ccc(S(=O)(=O)NCCc3ccccc3)cc2N1 7003319 HGWKTKISOVZZFZ-UHFFFAOYSA-N 362.476 2.642 0 3 FFAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nccn4c3)c(F)c2)C(=O)O1 103255122 ODJVUYVVIBAQJA-HNNXBMFYSA-N 368.368 2.602 0 1 FFAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1cccc[n+]1[O-] 66128550 BVKZNDYFUCWGEK-HXUWFJFHSA-N 366.804 2.823 0 1 FFAF Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 66166700 GAWCQNPYZRKFGL-UHFFFAOYSA-N 357.313 2.754 0 1 FFAF C[C@H](Nc1nc(N)nc(NCCc2ccncc2)n1)c1ccc(F)cc1 28369848 NFJUKKVDNNPUPA-LBPRGKRZSA-N 353.405 2.816 0 1 FFAF COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@@H]1OC)OCO4)N(C)CC2 2356653113 BAXRCWPTHNMMEU-LEWJYISDSA-N 369.417 2.757 0 1 FFAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 2356660735 RPWOFAVQGNBGTB-WKCJJHKESA-N 350.455 2.634 0 1 FFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@@H]1[C@@H]2C(=O)OC 38894883 HZRZXZZTSRUSLH-RQMBWGJUSA-N 354.450 2.813 0 1 FFAF COC(=O)c1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380242 WTGOHJSHKQXIPL-UHFFFAOYSA-N 371.393 2.924 0 1 FFAF COCc1ccc(C)c2c1C(=O)[C@@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)C2 15151095 CIKRUAPTDKFNSL-APWZRJJASA-N 362.422 2.770 0 1 FFAF biogenic COc1cc(C[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H]2CO)ccc1O 14642140 VVKJZDWKHOGKOG-XFQAVAEZSA-N 374.433 2.957 0 1 FFAF biogenic CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 82212156 IBTBZWOSXDJRHB-CYBMUJFWSA-N 358.442 2.588 0 1 FFAF Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 263590306 JXBDDXLVBQQGOX-IRXDYDNUSA-N 356.447 2.727 0 3 FFAF O=C(N[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 653682134 HTUPKTNEAWAZLK-XPCVCDNBSA-N 354.454 2.654 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)C(=O)O)n1C)O2 587380432 FDJUEASYAYYYRY-KRWDZBQOSA-N 364.348 2.973 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085347 UGBQWZLXOKTZJT-UHFFFAOYSA-N 365.846 2.752 0 1 FFAF Cn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cn1 587648709 FWOHPUDOEMRHAH-UHFFFAOYSA-N 371.340 2.717 0 1 FFAF Nc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1N 587149149 MAQAFSDHCOETQD-SNVBAGLBSA-N 357.364 2.522 0 1 FFAF CCOC(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436592 RULLMACAHGHDPV-QRWLVFNGSA-N 353.374 2.686 0 1 FFAF CN(C)CCOc1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154758 GMVSBKZNMIQCGS-YWZLYKJASA-N 354.429 2.984 0 1 FFAF COC(=O)c1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634636 LAGQJNXHCCBVTK-APBUJDDRSA-N 360.410 2.585 0 1 FFAF COC(=O)c1noc(C)c1[C@@]1(C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962628721 QDPUPLQYWNAPLC-GIPWTMENSA-N 374.437 2.927 0 1 FFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)cc3OC)oc2c1 14436489 DCBXANRVINYQLF-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro COc1ccccc1N1CCN(CCCCN2C[C@H]3CCCCN3C2)CC1 19332329 QCRFQNCVBRGOHL-HXUWFJFHSA-N 372.557 2.725 0 1 FFAF CC(C)[C@H](CO)NCc1nc(C2CCC3(CC2)OCCO3)ccc1F 204419418 PGTMYLRXTOIZEX-SFHVURJKSA-N 352.450 2.728 0 1 FFAF COc1ccc(-c2nn(-c3ccccc3)cc2Cn2cc(CO)nn2)cc1 1857755320 LBIRKCZPNBQTRQ-UHFFFAOYSA-N 361.405 2.680 0 1 FFAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4ccc(C)cc4n32)cc1 2356394553 CRIVMKUDYZIZJR-OAHLLOKOSA-N 351.406 2.855 0 1 FFAF O=C1CO[C@@H]2CN(C3CCC3)C[C@@H]2N1Cc1ccc(OC(F)(F)F)cc1 2356286234 CBMBRRDYBSJGMJ-JKSUJKDBSA-N 370.371 2.549 0 1 FFAF O=C(Nc1ccc(Br)cc1)c1c(O)c2cccnc2oc1=O 26985683 RGAGAGDDCZJHMF-UHFFFAOYSA-N 361.151 2.908 0 1 FFAF COc1ccc2nc(CO[C@H]3CN(Cc4ccccn4)C[C@@H]3F)[nH]c2c1 2356301971 IZKZRBBMBLTPJH-YJBOKZPZSA-N 356.401 2.706 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNC4CCC4)O3)no2)cc1 2356455274 MQEVHYQRMSGLJP-ZVDOUQERSA-N 372.465 2.943 0 1 FFAF COC(=O)c1cc(NC(=O)CCc2cccs2)ccc1N1CCOCC1 29128400 CJLBVNSCKIZWJU-UHFFFAOYSA-N 374.462 2.943 0 1 FFAF COc1cc([C@H]2OC[C@H](Cc3ccc(OC)c(OC)c3)C2=O)ccc1O 2356539376 MPBLTTLWUVPJRH-VBKZILBWSA-N 358.390 2.917 0 1 FFAF C[C@@]1(O)O[C@]23CC[C@H]1[C@]2(C(=O)O)CC[C@H]1[C@H]3CC=C2C[C@@H](O)CC[C@@]21C 2356600985 GFOKWOWCJVGEQX-VEHJAVCFSA-N 362.466 2.852 0 1 FFAF COc1cc(COC(=O)c2c(C)cc(O)c(C)c2O)c(C=O)c(O)c1C 2356723098 YIRWILDLGXFQAW-UHFFFAOYSA-N 360.362 2.907 0 1 FFAF NC1=NC2(CCCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 72105030 GRBRQDFTCGJVHI-UHFFFAOYSA-N 365.865 2.646 0 1 FFAF COC(=O)[C@@]1(Cc2ccc3c(c2)OCO3)CC(=O)O[C@H]1c1ccccc1 73159505 HEBMYUZMCADJTM-ICSRJNTNSA-N 354.358 2.805 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1ccncc1 49036481 SLRTUQXBTOKZDJ-CABCVRRESA-N 368.824 2.518 0 1 FFAF COc1cc2nc(N3CCCC3)nc(NC[C@H]3CCCO3)c2cc1OC 82119601 NYIAJCZEBALDLQ-CYBMUJFWSA-N 358.442 2.838 0 1 FFAF CN(CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Cc1ccccc1 195093094 JCQWKPHRUQWHIZ-YUNYCSSDSA-N 350.462 2.562 0 1 FFAF COc1cc(-c2cc(=O)c3c(OC)c(OC)c(O)cc3o2)cc(O)c1OC 238770606 ZZDWUECZDPGSPL-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF COc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1 96908636 FQRCHKYZKFPUOF-CMDGGOBGSA-N 365.407 2.831 0 1 FFAF O=C(Cc1ccc(F)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1 96914295 HOJIRSYLSJIVKE-UHFFFAOYSA-N 356.349 2.896 0 1 FFAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Cl)c(F)c2)cc1 299839985 UFXYZVUFYVFXBA-UHFFFAOYSA-N 357.794 2.743 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C(=O)C=CC3=O)c1)O2 587390300 GPRHEGWKRPWMJX-NRFANRHFSA-N 362.385 2.887 0 1 FFAF C[C@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590422 ZZPZROKAWUUMHN-VQIMIIECSA-N 350.330 2.765 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc(CC(=O)N(C)C)[nH]c3c2)cc1 587197259 NFYUQXGAVHVYHN-UHFFFAOYSA-N 353.378 2.773 0 1 FFAF COc1ccoc1[C@@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962648357 ZOGPVXMOPNBKTL-WCQYABFASA-N 357.284 2.875 0 1 FFAF Cc1ccc(F)cc1[C@@]1(C(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963025357 MHEMFGVCCGBKFJ-YUNKPMOVSA-N 354.381 2.516 0 1 FFAF O=c1cc(C(F)(F)F)c2cc(N(CCO)CC(F)(F)F)ccc2[nH]1 14968456 PFPIAAVBEPSGTQ-UHFFFAOYSA-N 354.250 2.908 0 1 FFAF COc1ccc([C@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)cc1 6230580 OXYSUOUDVDRIEL-GOSISDBHSA-N 352.390 2.989 0 1 FFAF O=C(O)C(=C(O)C(O)=C(C(=O)O)c1ccc(O)cc1)c1ccc(O)cc1 2356586011 JAPFERUNJJAJSP-UHFFFAOYSA-N 358.302 2.505 0 1 FFAF COc1cc2c(cc1OC)[C@@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)NCC2 2356608756 UFZHGELLRRECQI-ZWKOTPCHSA-N 369.373 2.531 0 1 FFAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 36378676 XWCKAUWZNDOCDX-MNRMEVMPSA-N 352.471 2.895 0 1 FFAF COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2 15219634 PSBYWDSXDKNYKB-OAQYLSRUSA-N 367.401 2.555 0 1 FFAF biogenic c1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)ccn1 225556373 YHTCVPYUCVCMIM-UHFFFAOYSA-N 358.405 2.919 0 1 FFAF COc1ccc(CNC(=O)c2c(C)n(O)c3cc(C)c(C)cc3[n+]2=O)cc1 49087579 IGDHSAVQHHJSBY-UHFFFAOYSA-O 368.413 2.657 0 1 FFAF CCc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 43118377 OQLODOGGOMSJDF-MRXNPFEDSA-N 351.406 2.539 0 1 FFAF CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3)cn2)CC1 84732605 GYLVPMDDUCFZCW-UHFFFAOYSA-N 371.441 2.508 0 1 FFAF CN(CCCO)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144803577 ICEHAUMDOXNPFB-SFHVURJKSA-N 365.351 2.920 0 1 FFAF CCOC(=O)C[C@@H]1O[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 95569375 JRDPYMUGXIWUEZ-IKGGRYGDSA-N 367.467 2.606 0 3 FFAF CN(C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21 96930086 XIFLODDZTOJMOK-UHFFFAOYSA-N 354.429 2.910 0 1 FFAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 587246740 FWYVSCPTDOSPJN-UHFFFAOYSA-N 362.393 2.886 0 1 FFAF O=C(O)CC1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355456 UZBFUFGAWIVIBC-KRWDZBQOSA-N 374.320 2.578 0 1 FFAF O=C(O)c1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12 586957913 ATFYIARIGPXBOH-FQEVSTJZSA-N 357.229 2.682 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(F)CN(C(=O)OC(C)(C)C)C1)O2 587381609 HCINTBJCPNGPNC-AWEZNQCLSA-N 350.390 2.870 0 1 FFAF Cc1ccccc1Nc1ncc2c(n1)n([C@H]1CC[C@H](O)CC1)c(=O)n2C 1857550554 QAYIZDNHPZUXGB-HDJSIYSDSA-N 353.426 2.658 0 1 FFAF c1ccc2c(c1)CCN(CCCNc1nc3ccccc3n3nnnc13)C2 6752098 IECZURHEEKBEEE-UHFFFAOYSA-N 359.437 2.533 0 1 FFAF CCCCNC(=O)c1cnc(NCCCC)nc1N[C@H]1CC[C@H](O)CC1 103239237 VAWPQSJYRPQHIP-GASCZTMLSA-N 363.506 2.934 0 1 FFAF CC/N=c1\c(NS(=O)(=O)c2ccc(OC)cc2)c(O)oc2ccccc12 102355972 CKKIFXNFJZCPGH-MNDPQUGUSA-N 374.418 2.868 0 1 FFAF NC(=O)C=CC=C[C@@H]1C=C[C@@H]2C=C[C@@H]3O[C@H](C=CC=CC=CC(=O)O)[C@H]1[C@@H]32 2356552035 AQEGYTZKJNBFQS-CQSOASKCSA-N 365.429 2.709 0 1 FFAF C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26007015 ZSZFKFQQLNXTMB-ZWKOTPCHSA-N 361.804 2.866 0 1 FFAF COc1cccc(C(=O)c2ncc(C(=O)O)c3cc(O)c(OC)cc23)c1 73169363 OAWODOMRPJFXHH-UHFFFAOYSA-N 353.330 2.887 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@@H]1CC[C@H](C2)N1 82154290 XGOQVTSRPAIGHL-WBMJQRKESA-N 353.447 2.755 0 1 FFAF COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccccc2O1 40943603 VGRBFVDNFGSMNW-SFHVURJKSA-N 351.362 2.864 0 1 FFAF CNC(=S)Nc1ccc(NS(C)(=O)=O)c(Oc2ccccc2)c1 43061107 HXQDXYIIVSADIS-UHFFFAOYSA-N 351.453 2.767 0 1 FFAF c1ccc2nc(-n3nnc4c5sc(C6=NCCN6)nc5ccc43)ccc2c1 45287320 IUCYJZCDMMHFCB-UHFFFAOYSA-N 371.429 2.928 0 1 FFAF C[C@@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1ccc(O)cc1 299822986 JBPPVWQXYIVZQG-HVTWWXFQSA-N 355.390 2.599 0 1 FFAF C[C@@]1(c2ccc(O)cc2)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccc(O)cc1 299822987 JBPPVWQXYIVZQG-VYJAJWGXSA-N 355.390 2.599 0 1 FFAF CCN1CC[C@]2(CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 587767240 JHDYAJHMACWZPB-QLJPJBMISA-N 355.251 2.960 0 1 FFAF CC[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581475 LICLKWNGZNWJPK-LPHOPBHVSA-N 351.362 2.794 0 1 FFAF O=C1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 586990012 TXZKCTIRMNVICL-ZWNOBZJWSA-N 356.381 2.928 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587773168 JRJPQLLAWBTXCM-XPZRHXQJSA-N 369.278 2.811 0 1 FFAF CCN1C=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 587775467 SSXWGDIILPMRPW-HWPZZCPQSA-N 352.251 2.967 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCNC3)c2cn1)c1ccccc1 1772570363 FEAPBSNWTMHACN-TZMCWYRMSA-N 366.425 2.581 0 1 FFAF COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)NCCc2ccccc2)cc1OC 5035897 GELUSSLIXXCJJG-OXJNMPFZSA-N 369.417 2.667 0 1 FFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 5712197 AVZSESMPTLEEHD-MIALQEHNSA-N 352.342 2.624 0 1 FFAF O[C@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCC3)CC1 13471788 XPECPZHOOOLPDY-RTWAWAEBSA-N 368.452 2.931 0 1 FFAF O=C(c1ccccc1O)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832030 ORULVPMCUCGUES-UHFFFAOYSA-N 350.418 2.976 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 2356305164 QGYJXIIXLFFBIC-SCTDSRPQSA-N 358.463 2.591 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@H]3CN(C)CC[C@@H]32)cc(OC)c1OC 2012420 QZGOPRYNEGQTLA-CWRNSKLLSA-N 362.470 2.563 0 1 FFAF Cn1c(=O)cc(SCC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc21 4143779 ZDGGGOVBOJHAER-LBPRGKRZSA-N 366.870 2.579 0 3 FFAF Cc1cc(C)nc(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)n1 6233294 OOSPXMUOELRPPR-UHFFFAOYSA-N 356.445 2.808 0 3 FFAF C[C@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26004770 XINKQFDGGDKFDS-ROUUACIJSA-N 361.804 2.866 0 1 FFAF Cc1nc(-c2cc(CO)cnc2Nc2cccc3[nH]ncc23)c2nc[nH]c2n1 113149802 WWZQMWJGKGAIBX-UHFFFAOYSA-N 372.392 2.836 0 1 FFAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)Cc2cccc(OC)c2)cn1 74387701 XSIDXCCOVUAKQQ-UHFFFAOYSA-N 372.469 2.724 0 1 FFAF Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2nonc2C)c1 45255873 OMTKAZXXXFMWEA-MRXNPFEDSA-N 351.410 2.988 0 1 FFAF CCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1 653704627 RFJAKDAYIKQPOG-UHFFFAOYSA-N 351.366 2.516 0 1 FFAF CCOc1ccccc1[C@](N)(c1nc2cc(=N)[nH]cc2[nH]1)C(F)(F)F 587091619 GNLKFKMBPMBGCW-HNNXBMFYSA-N 351.332 2.534 0 1 FFAF CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395934 WIEXVORCUYEDFX-QVKFZJNVSA-N 366.417 2.877 0 1 FFAF CN1[C@H]2COC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589646 WKEWIHZREIWMRZ-LBTNJELSSA-N 367.401 2.586 0 1 FFAF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)N(C)C 13533558 UDKDFTJXIBCZTH-UHFFFAOYSA-N 366.458 2.715 0 1 FFAF NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534265 ZUHDKSXKMLQBAW-APWZRJJASA-N 352.425 2.507 0 1 FFAF Nc1ccc(N2C[C@@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1F 169685204 IUNKWRMKIQXHKM-SECBINFHSA-N 369.805 2.878 0 1 FFAF Cc1ccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc2c1 205942710 JVCDVUFRMRFRFP-UHFFFAOYSA-N 364.449 2.708 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1 2356304418 GLXUXDJKZPRZKB-YJBOKZPZSA-N 370.428 2.716 0 1 FFAF CN1[C@H](C[C@H](O)c2ccccc2)C[C@H](O)C[C@H]1C[C@@H](O)c1cccc(O)c1 2356329571 HNYUZVZJPPFNLG-OOOLTRJPSA-N 371.477 2.763 0 1 FFAF O=C([C@H]1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637719 FPHYGGIQNUNSGL-UMPJEAMMSA-N 370.478 2.500 0 1 FFAF O=C1Oc2ccccc2[C@H](O)[C@@H]1Sc1c(O)c2ccccc2oc1=O 100360892 IDHBHFXFHJPAMQ-ZFWWWQNUSA-N 356.355 2.612 0 1 FFAF O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118673407 MTCFCASJWUBVGX-LLVKDONJSA-N 356.451 2.726 0 1 FFAF c1cc(-c2cnc3ncc(-c4cn[nH]c4)cn23)ccc1CN1CCOCC1 53298510 SPHBXAGKJZTRQA-UHFFFAOYSA-N 360.421 2.619 0 1 FFAF COc1cc2c(c(OC)c1OC)[C@H](OC)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21 2356384217 LPEKOSCSUJGQQB-UNFPFYSMSA-N 361.438 2.874 0 1 FFAF O=C(O)CC(=O)N[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26508110 OOAVQQRJDWPIDS-ZWKOTPCHSA-N 369.417 2.522 0 1 FFAF CCOC(=O)[C@@]1(C)CCN1C(=O)c1cc(OC)ccc1Br 61896873 ZAOFLEHBKFHCEO-OAHLLOKOSA-N 356.216 2.625 0 3 FFAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@H](O)[C@@]1(O)C2=O 2356505774 PEWPCEZVXROTHG-BQKSJUEUSA-N 350.411 2.553 0 1 FFAF C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nccnc12 29128545 FLYSGGFIJWABBI-SECBINFHSA-N 363.393 2.783 0 1 FFAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N[C@H]3CCOC3)nc21 71329508 OLSXDVFWIMYFGF-LBPRGKRZSA-N 374.347 2.600 0 1 FFAF C=Cc1c(C)cc(O)c2c1[C@H](O)[C@@H](O)[C@@H]1[C@](C)(C(=O)OC)CC[C@@H]3C[C@]213 72112690 MQEUTRGOTKQOBL-IKPCXWSHSA-N 358.434 2.599 0 1 FFAF Cc1cc(OCCCN2CCC[C@H]2C)ccc1C(=O)CN1CCOCC1 73278071 HKLCANBVCCQDBG-GOSISDBHSA-N 360.498 2.763 0 1 FFAF Oc1ccc(C2=C(c3ccc4c(c3)OCO4)[C@@H](O)[C@@H]3CCCN3C2)cc1 14654226 NOTLGAMDIPCZJL-UWJYYQICSA-N 351.402 2.871 0 1 FFAF biogenic Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)OCc1cc(=O)c(O)co1)O2 73199384 FUBKHVQDEQOIQV-HXUWFJFHSA-N 374.389 2.803 0 1 FFAF CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(CC)n1 82069120 FVHGSGBQAHICSX-OAHLLOKOSA-N 359.495 2.963 0 1 FFAF Cc1cc(N2C(=O)c3nn(C)cc3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 220359452 FAMCYVZRWHZORW-KRWDZBQOSA-N 368.824 2.830 0 1 FFAF NC(=O)c1ccc(-c2cc(-c3scc4c3OCCO4)cnc2N)cc1 45386294 AWUXFIAHZKNRJF-UHFFFAOYSA-N 353.403 2.929 0 1 FFAF in-vitro Cc1nn(-c2ccccc2)c2cc(N3CCN([C@@H]4CCNC4)CC3)ccc12 147352210 DZGKAQBKKRYKFX-HXUWFJFHSA-N 361.493 2.818 0 1 FFAF C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 238751651 YIPMKFWEORGSOZ-PDYUJUMCSA-N 360.406 2.614 0 1 FFAF NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)c1F 299820559 GFUGFRVFOIZJKX-VIFPVBQESA-N 355.724 2.936 0 1 FFAF Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1 299840300 UXEFZRWOVYCBEB-UHFFFAOYSA-N 372.402 2.920 0 1 FFAF CCOC(=O)c1cc(Br)c2nc(-c3ncc(N)cn3)[nH]c2c1 587252802 NHCNKWQDKJBHLT-UHFFFAOYSA-N 362.187 2.541 0 1 FFAF N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1cccc2ccccc12 587258534 MOEWQMBJKRFLAW-HNNXBMFYSA-N 366.446 2.606 0 1 FFAF Cn1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)n1 963182624 PGPKKCVFOOAMDP-ZUZCIYMTSA-N 373.762 2.955 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)NCc3cccnc3OCC)ncc12 1772579795 KXIGOPARIRSMDW-UHFFFAOYSA-N 355.402 2.505 0 1 FFAF O=c1[nH]nc(Cc2ccc(F)c(-n3c(O)ccc3O)c2)c2ccccc12 169718802 QOPWNMFZIUEUIJ-UHFFFAOYSA-N 351.337 2.855 0 1 FFAF OC[C@@H](NCCc1c[nH]c2ccccc12)c1ccc(O)c2nc(O)ccc12 1857765455 XPZXKMOIGCHJCN-GOSISDBHSA-N 363.417 2.993 0 1 FFAF Cc1nn([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807369 RGBFTQMMGMUVDU-SCRDCRAPSA-N 356.426 2.807 0 1 FFAF OC[C@@H]1[C@H]2c3ccccc3O[C@@]1(CO)N=C1SCc3ccccc3CN12 100264201 NMEFFSAHNCZEJK-YVWKXTFCSA-N 368.458 2.536 0 1 FFAF COc1ccc(-n2nc(C)n(-c3nnc(-c4ccccc4)s3)c2=O)cc1 103280859 DIHAAHRQPAWURV-UHFFFAOYSA-N 365.418 2.859 0 1 FFAF CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1 103242306 VBSPBTHOEWKBCA-UHFFFAOYSA-N 352.438 2.582 0 1 FFAF O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccccn3)oc2C1 113252314 BFRVSLMMVORKLE-UHFFFAOYSA-N 353.353 2.986 0 1 FFAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(CCF)c3ccc(C#N)cc13)C2 220969921 WNCWQOUOMMBYQO-HUUCEWRRSA-N 371.412 2.501 0 1 FFAF CC1(C)Oc2ccc(Br)cc2[C@@]2(CSC(N)=N2)C12COC2 149350182 FXWBDJSWBRAHBD-HNNXBMFYSA-N 369.284 2.894 0 1 FFAF COc1ccc2cc3[n+](cc2c1OC)[C@H](O)Cc1cc2c(cc1-3)OCO2 238749993 RAIHJUZNOYUEIP-LJQANCHMSA-N 352.366 2.587 0 1 FFAF O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@H]2CCCC[C@H]12 618014222 OGVOASAFRGUXJR-QWRGUYRKSA-N 356.451 2.754 0 1 FFAF CC1(C)OC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618922 VNRWAVDFVQBYBG-FOIQADDNSA-N 368.341 2.870 0 1 FFAF O=C1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)CN1Cc1ccc(F)cc1F 587150315 SCVZKBKSYZRSIK-VIFPVBQESA-N 363.755 2.752 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 586950109 AMIPIVFEGXURGI-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF CCOC(=O)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582139 KENFAVFJPNPROQ-OXJNMPFZSA-N 369.373 2.955 0 1 FFAF Fc1cc2c(c(Cc3nc4nc(Br)c[nH]c-4n3)c1)OCOC2 587171281 KORWUSHSXCXTEY-UHFFFAOYSA-N 365.162 2.663 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CNC(=O)C[C@H]3C2)N1 587797437 SJVCPBSKNITUHH-TYVYJZRMSA-N 367.262 2.864 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 586936388 MEENCGBOQDKYNY-VIFPVBQESA-N 365.846 2.750 0 1 FFAF CCOC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 587367960 DDFZXQKMMASKER-UHFFFAOYSA-N 357.341 2.738 0 1 FFAF O=c1c2cc(Cl)ccc2cnn1C(=S)NCc1ccc2c(c1)OCO2 587655130 SHFGZFOHFQNNHC-UHFFFAOYSA-N 373.821 2.701 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O 587435130 CZKXAJGNSWPVMH-GTNSWQLSSA-N 357.362 2.605 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 586930687 VPRPBEHTFRUIGA-UHFFFAOYSA-N 371.796 2.927 0 1 FFAF CCOC(=O)[C@@H]1[C@H]2C[C@]3(C[C@H]21)c1c(Cl)ccc2c1CCN3[C@H]2C(=O)O 962578332 XZFNCIRZEDRTLE-XHAOVTCCSA-N 361.825 2.752 0 1 FFAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@@H](CO)c1ccccc1F 1772586890 ITMSRNJKTCZBKP-KRWDZBQOSA-N 355.369 2.688 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@H]3CNc4ccccc4C3)ncc12 1772652812 UMCFPMFKEAQLSC-GFCCVEGCSA-N 351.414 2.548 0 1 FFAF C[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H](Cn4c(O)nc5c(O)ncnc54)[C@]31CC2(C)C 15116051 BHCRQXWMNOFEEK-HCWGHFIKSA-N 370.453 2.905 0 1 FFAF biogenic O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)N1CCOCC1 768783 SGNQFTJJYZZNPY-RDJZCZTQSA-N 360.797 2.884 0 1 FFAF N[C@](CCc1ccccc1)(C(=O)O)[C@H]1[C@H](CCc2ccccc2)[C@@H]1C(=O)O 4394177 WYNOTJGERCNHTF-GHDARCQNSA-N 367.445 2.981 0 1 FFAF COc1ccccc1CN1C[C@H](F)[C@@H](OCc2nc3cnccc3[nH]2)C1 2356302378 TZBNMUXUIASPAN-KSSFIOAISA-N 356.401 2.706 0 1 FFAF CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 100458934 YAIXJKZQJNOCPD-OGNFBWPZSA-N 374.868 2.538 0 1 FFAF COCc1nn2c(O)cc([C@H]3CNC(=O)C3)nc2c1-c1ccc(Cl)cc1 103525092 UVDZYGGVEXEOCV-LLVKDONJSA-N 372.812 2.505 0 1 FFAF O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)nc1)N1CCN(C2CCC2)CC1 113857323 ODHVWXCDTWEUDK-CABCVRRESA-N 353.388 2.901 0 1 FFAF COc1cc2c(cc1O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@@H](C)O)C2 29390027 JXLOCCNKUYGHHM-DFBGVHRSSA-N 358.390 2.988 0 1 FFAF O=c1[nH]c(N2CC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 28954663 YMVILPWHYPJIRX-UHFFFAOYSA-N 358.445 2.901 0 1 FFAF O=C(C=Cc1ccccc1)NCCCCNC(=O)Cc1ccc(O)cc1 2356426126 QERNZIGNKQVFBH-UHFFFAOYSA-N 352.434 2.661 0 1 FFAF COC(=O)c1ccc2c(c1)[C@H](C(=O)OC)[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C 2356764922 YNEPSWZBQIGSBT-SNHGZMDHSA-N 374.433 2.981 0 1 FFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccco1 2356859934 TZVKSWXJWOOGRX-QRVBRYPASA-N 365.477 2.783 0 1 FFAF Cc1c(CC(=O)O)c2cccnc2n1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 38224737 HGOCBGDTYMERHN-LBPRGKRZSA-N 372.446 2.985 0 1 FFAF CCN1CCN(c2ncc(C)c(NCc3cc(OC)cc(OC)c3)n2)CC1 82202863 PRJCKRPHLHTIEV-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF O=C(O)CC[C@H](O)c1nc2ccc(N(CCCl)CCCl)cc2[nH]1 148016517 BANYNEBLGUSGJJ-ZDUSSCGKSA-N 360.241 2.745 0 1 FFAF CS(=O)(=O)Nc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cc1 142761742 MVSNLWYDAKWZAA-UHFFFAOYSA-N 355.375 2.572 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@@H](O)[C@@H]1O 473135358 HRRWPOOLLFZIQU-MOPGFXCFSA-N 354.358 2.731 0 1 FFAF N=c1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c[nH]1 587001227 XEMUQHRHXZUKKY-UHFFFAOYSA-N 373.166 2.612 0 1 FFAF CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441021 DOTATKYYTSXZGS-IIBYNOLFSA-N 368.385 2.910 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O 587429693 QUHLUOGIWCWBAD-HRAATJIYSA-N 367.401 2.651 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(OC)ccc(C)c41)[C@@H](C2)C3=O 587442916 ZVGRZXVLXJXFBR-FKIZINRSSA-N 351.358 2.607 0 1 FFAF COC(=O)c1cc(Cl)c2[nH]c(CCNC(=O)Cc3ccccc3)nc2c1 587228037 FFEDLRGIANXVCV-UHFFFAOYSA-N 371.824 2.904 0 1 FFAF Cc1c(O)ccc2c1[C@@H](c1cn(C)nc1-c1ccccc1)N[C@H](C(=O)O)C2 963492523 RNHPRAXDZOQPAK-OXJNMPFZSA-N 363.417 2.789 0 1 FFAF Cn1cc(C2=C(c3cn(C)c4c(N)cccc34)C(=O)NC2=O)c2ccccc21 13447791 NCELDRHKRGURPC-UHFFFAOYSA-N 370.412 2.819 0 1 FFAF O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12 13489657 FVWBAHQOQFMWPU-UHFFFAOYSA-N 350.426 2.834 0 1 FFAF O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccccc1)CC2 13832622 ZMPJCXQJCGGYPL-UHFFFAOYSA-N 365.477 2.884 0 1 FFAF COC(=O)N1C(=O)[C@@](Cc2ccccc2)(c2ccccc2)N1C(=O)OC 15924768 AHTCBKHTVIFTIY-LJQANCHMSA-N 354.362 2.717 0 3 FFAF CC(C)NC(=O)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 169685448 LMZKIRCZNPJKJL-LSDHHAIUSA-N 362.405 2.549 0 1 FFAF Cc1c(C(=O)N2CCC(C)(C)C2)cnn1-c1nc(O)c2sccc2n1 1857598806 NBMOCMAAJASMAA-UHFFFAOYSA-N 357.439 2.763 0 1 FFAF CN(C)C(=S)SC(=S)N1CCN(C(=O)NC2CCCCC2)CC1 1857633970 XJHYWKDWHXJRRE-UHFFFAOYSA-N 374.601 2.511 0 1 FFAF COc1cc(/C=C/C(=O)N2CCC=CC2=O)c(Cl)c(OC)c1OC 1857651590 FERHDMHSEIVAAO-BQYQJAHWSA-N 351.786 2.694 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@H]1[C@@H]2C(=O)OC 2356449301 HZRZXZZTSRUSLH-FCLVOEFKSA-N 354.450 2.813 0 1 FFAF COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1OC 6887408 OWLSUMSKUZDRTR-UHFFFAOYSA-N 359.407 2.690 0 1 FFAF CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C 7998194 NULFXNYRJYPFQC-CFNNURQSSA-N 362.422 2.515 0 1 FFAF C[C@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@@H]1C=C[C@]2(O)C(=O)O1 104371216 AALLCALQGXXWNA-BYLXVPAASA-N 358.390 2.533 0 1 FFAF in-man C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]13COC(=O)CC[C@@]21C1=CCC[C@@H]1CCC3=O 2356420845 PCJYGKKIPFQGPZ-YWSJFSJOSA-N 371.477 2.882 0 1 FFAF COc1cc(C(=N)N)ccc1-c1cc(-c2cccc(C(=N)N)c2OC)on1 28643183 MZOBLWDQYXVSKA-UHFFFAOYSA-N 365.393 2.594 0 1 FFAF CCN1C(=O)COC2(CCN(CCc3c[nH]c4ccccc34)CC2)[C@@H]1C 27984105 FMIQBHHPOYYOLL-INIZCTEOSA-N 355.482 2.812 0 1 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 61896313 CATQKSJSOBFUCI-OAQYLSRUSA-N 354.450 2.845 0 3 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@H](O)[C@@]32C)C(=O)O[C@H](C2=CCC=C2)C1 2356779497 UGXXCRBYJNNERL-RYLXDESZSA-N 356.418 2.908 0 1 FFAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1C 73197316 CZJDHZHWETXGDJ-UHFFFAOYSA-N 356.382 2.672 0 1 FFAF CCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc(C)c1 82160150 MMAYSSXYKFHKFD-UHFFFAOYSA-N 369.469 2.530 0 1 FFAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427508 XUQKOBAAFRTLIF-ZBFHGGJFSA-N 361.401 2.763 0 1 FFAF biogenic N[C@@H](CC(=O)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F 299831942 JJTBTXLRWMNOIC-KTMFAHBVSA-N 370.415 2.516 0 1 FFAF CC[C@H](C)[C@H](N)C(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1 299849397 GPHKJVUHTAKPDJ-NHYWBVRUSA-N 364.515 2.786 0 1 FFAF CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421328 PBZWTZYYYOTGHP-BFUOFWGJSA-N 373.792 2.950 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn(C)c2=O)N1 587775115 QNKGPUJNRWELHG-VFZGTOFNSA-N 351.219 2.911 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2N)N1 587766822 XFEZPZLLBRBFOK-ANRSDYALSA-N 353.239 2.702 0 1 FFAF Nc1c(-c2cc3c4c(cccc4n2)CC3)c(O)nc(=O)n1Cc1ccccc1 587212213 MAAHCCWSFZPLEE-UHFFFAOYSA-N 370.412 2.893 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895715 VLFHXZSTHNGEKT-UHFFFAOYSA-N 359.451 2.753 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168825 NROIZTCHGZAFKT-UHFFFAOYSA-N 369.385 2.611 0 1 FFAF CC(=O)[C@@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963508709 LTDBWUZQCADZKI-LPHOPBHVSA-N 359.809 2.786 0 1 FFAF COc1cccc([C@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 114876941 GTVRJNNFXVMASB-SJORKVTESA-N 373.430 2.702 0 1 FFAF CCOC(=O)[C@](NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC 5296828 WIJWEPSAFHKVBY-LLVKDONJSA-N 363.269 2.600 0 1 FFAF CC[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc2[nH]ccc2c1 5493884 FSRPBGBMEKDSIJ-CYBMUJFWSA-N 371.462 2.739 0 1 FFAF in-vivo O=C1Nc2cccc(F)c2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857550706 ITFXLHSJWDBGLD-UHFFFAOYSA-N 368.412 2.690 0 1 FFAF Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 1857553284 FKJNAFQXVIHBTI-UHFFFAOYSA-N 363.446 2.732 0 1 FFAF CN1CCN(c2cccc(CN(C)[C@H]3CCCc4cccnc43)n2)CC1 1857641198 AISQVXALLKVKPM-IBGZPJMESA-N 351.498 2.738 0 1 FFAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H](OC(=O)CC(C)C)C[C@]2(C)O 2356391721 AWUFGFYVINUPDN-JVUBSHKOSA-N 350.455 2.859 0 1 FFAF O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccccc1 67490347 SKHBFTJAZMYZRG-JOCHJYFZSA-N 352.478 2.763 0 1 FFAF Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)C(=O)N2)cc1 26575607 LAYGXHFCFCWFSK-GOSISDBHSA-N 356.447 2.939 0 1 FFAF COc1ccc(CCNC(=O)C=CCc2ccc(O)c(OC)c2)cc1O 2356766356 ZGCSDBMDEGSSAY-UHFFFAOYSA-N 357.406 2.573 0 1 FFAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@@H](N)C2 2356821069 XUFCNOJUQFAYIF-WDHPPJNLSA-N 374.549 2.568 0 1 FFAF COc1ccc(CCn2nnn[n+]2-c2ccc(Cl)c(Cl)c2)cc1 38149894 GRSKLERZCJPQEE-UHFFFAOYSA-N 351.217 2.508 0 1 FFAF C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71295818 KPHQNGSUQVRUNH-YUNKPMOVSA-N 366.371 2.730 0 1 FFAF CC[C@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(F)cc21 45367581 LPEOCEBBOVEJDF-NRFANRHFSA-N 370.424 2.965 0 1 FFAF O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(C4CC4)c3CCN12 149094188 XMBSSAPUXAATEP-UHFFFAOYSA-N 359.433 2.719 0 1 FFAF O=C1O[C@@H](Cc2cccc(C(=O)O)c2)C(c2cccc(C(=O)O)c2)=C1O 238776383 ATAVEPUKLJDITJ-AWEZNQCLSA-N 354.314 2.520 0 1 FFAF COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O 95563133 PRPGMEHVPYNUSF-UHFFFAOYSA-N 366.396 2.691 0 1 FFAF Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(O)nc1=O 299827648 PYNLPDJLNJNKCJ-UHFFFAOYSA-N 357.454 2.560 0 1 FFAF CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C(C)C)cc12 299859204 FLHSYICCYQGDKC-UHFFFAOYSA-N 367.409 2.765 0 1 FFAF COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc4ccccc4c3)[C@@H]12 653795227 FFMYKPNBZZQZND-BVIKNXMNSA-N 353.374 2.541 0 1 FFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)NC1CC1 587864609 MZAXJFSQLXZIEA-UHFFFAOYSA-N 367.327 2.886 0 1 FFAF COC(=O)[C@](C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352918 PPBHJDHJZWTKHR-LSTHTHJFSA-N 374.364 2.573 0 1 FFAF CC1(C)CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347265 OVDUDZZUYOTIGK-UZLBHIALSA-N 355.365 2.785 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnn(C)c1)CC2=O 587474786 ILKGIYVXHGBSIO-LJQANCHMSA-N 358.394 2.502 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)([C@H](N=O)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587426941 BJTNXUUAFGPMOW-BOUXLOLZSA-N 366.373 2.975 0 1 FFAF NS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530846 HUSFGZSZDUKOPX-SFHVURJKSA-N 357.431 2.919 0 1 FFAF O=S(=O)(Cc1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1 586923928 AMWIYKOBSLYRTM-UHFFFAOYSA-N 362.224 2.717 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587773166 JRJPQLLAWBTXCM-MMPOEDRJSA-N 369.278 2.811 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc(C)cn1 587867964 TXMWJVXGDMVGQS-UHFFFAOYSA-N 363.299 2.759 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2cn1 587787964 YJQFZJGUYMZQKY-CHWSQXEVSA-N 351.362 2.688 0 1 FFAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccnc3nccnc23)N1)C(F)(F)F 962773804 XVKWSKJZRPPVGO-KGLIPLIRSA-N 358.323 2.760 0 1 FFAF CC(C)(C)NC(=O)COc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963352188 KTXQDPAMAYHVJI-FQEVSTJZSA-N 354.450 2.921 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 5966777 YQNZUKAKYJMEFE-LMDOGRNLSA-N 374.440 2.792 0 1 FFAF in-vivo COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C 4079802 WQMDPWQKDSBDFJ-UYAOXDASSA-N 367.449 2.941 0 1 FFAF O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 6893554 ZTVUNHMFTWMGIZ-UHFFFAOYSA-N 365.499 2.810 0 1 FFAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 8661210 WZJDWCJBFDFSLU-SJORKVTESA-N 356.447 2.517 0 1 FFAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@H](N)C2 2356379589 ZVWAIVBUSQDSJF-WDHPPJNLSA-N 373.541 2.736 0 1 FFAF CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 26378103 WEBCNVIMCWFUBF-CVEARBPZSA-N 372.465 2.863 0 1 FFAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 73138708 RRRWJVDFBSCHKS-UHFFFAOYSA-N 351.815 2.670 0 1 FFAF CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1cc(OC)ccc1OC 199214190 YQZQKXXLHMVZNP-LJQANCHMSA-N 373.457 2.528 0 3 FFAF COc1ccc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(O)c2)cc1O 34008459 IDASJTBLBSIWHG-HUUCEWRRSA-N 358.390 2.689 0 1 FFAF biogenic CCOc1cc(CC(=O)OC(C)C)c(F)cc1OCC(=O)N(CC)CC 299841427 ZUHRTBAGLHVJPW-UHFFFAOYSA-N 369.433 2.966 0 1 FFAF COc1ccc(C=O)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587786091 HLVCEPFCCTUNGC-UHFFFAOYSA-N 351.406 2.883 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccnc2[nH]1 586962433 RPIBETSFTSFVRI-YFKPBYRVSA-N 367.232 2.652 0 1 FFAF Oc1ncnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587183875 KKBGCOUQHXLRBI-UHFFFAOYSA-N 372.553 2.984 0 1 FFAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCO[C@H]2C3)[C@H]1c1ccc(F)cc1 587344554 GZCMRBUUXIWHJZ-ZJOUEHCJSA-N 369.392 2.734 0 1 FFAF CC[C@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757765 HREXDKZEGHHDCO-VFZGTOFNSA-N 353.239 2.905 0 1 FFAF Cn1ncnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344099 VWZDABHBWJJQIN-APWZRJJASA-N 353.353 2.934 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587017723 OCUKCYSBXRPEHR-GFCCVEGCSA-N 351.409 2.785 0 1 FFAF C[C@]1(c2cccnc2N)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962719065 RQIDIOQQANDPBO-XJKSGUPXSA-N 369.318 2.684 0 1 FFAF C[C@@]12CCCO[C@H]1[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2 168807466 DMNHLGOPJBTFQJ-RLLQIKCJSA-N 369.396 2.758 0 1 FFAF in-vitro Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@H]2CCCO2)cc1 4903228 PVOGWTZROONFLE-XLIONFOSSA-N 364.445 2.987 0 3 FFAF CC(C)CC(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 25968422 JYSZKROENALEDO-KRWDZBQOSA-N 360.454 2.554 0 1 FFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 103260263 CDGIMSOONKIVTM-JTQLQIEISA-N 365.376 2.604 0 1 FFAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)nn1C 2356317359 KKCMPNHBMZPLBJ-JTQLQIEISA-N 372.356 2.712 0 1 FFAF N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1 26279884 GLNPWSNDLRNRPS-OWOJBTEDSA-N 361.405 2.510 0 1 FFAF COc1ccc(C=C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1O 2356587621 RDQYZETVAPDYFY-AWEZNQCLSA-N 354.358 2.929 0 1 FFAF COC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1 36348874 UTBPYMUVVZGFEJ-LBPRGKRZSA-N 350.382 2.917 0 1 FFAF COC(=O)C[C@H](CCc1cccc(C(=N)N)c1)c1cccc(C(=N)N)c1 137798473 BJHNYPYYKUGEQS-HNNXBMFYSA-N 352.438 2.534 0 1 FFAF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1 82157099 YOMVTNUTNPBUEI-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF COc1ccc(C2=NCCN2)cc1-c1cc2cc(C3=NCCN3)ccc2o1 40939661 VWKMJMCDAUVSOC-UHFFFAOYSA-N 360.417 2.808 0 1 FFAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 618017771 PDDYDRCWVMNOMB-LBPRGKRZSA-N 364.389 2.565 0 1 FFAF Cn1c(C(N)=O)cc2c(-c3ccc(NC(=O)C(C)(C)C)cc3)ncnc21 653850120 XDVAZFKKAPLYBJ-UHFFFAOYSA-N 351.410 2.719 0 1 FFAF COC(=O)c1cccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1 653687124 VFWSCUBDQPRVTM-UEXGIBASSA-N 351.402 2.719 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(c(C(=O)O)nn3C)C1)CC2=O 587475627 MYCRBWPLYRZCTE-FQEVSTJZSA-N 370.405 2.669 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O 587444833 QRGYEYLMRDQWEZ-LAUBAEHRSA-N 350.418 2.594 0 1 FFAF NC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586998233 ZOOJXFAQNFBYHE-GFCCVEGCSA-N 359.227 2.667 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(O)O 587614714 SUTMMXZQFHDXKY-HNAYVOBHSA-N 370.382 2.622 0 1 FFAF CN(C)C(=O)Sc1ccc2c(c1)CCc1cc3c(O)nc(O)nc3nc1-2 587562524 DOCBQCQMXYCYAK-UHFFFAOYSA-N 368.418 2.975 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(N)(=O)=O)cc1)CC2=O 587485914 KKVIXLDGJWMGGW-KRWDZBQOSA-N 361.419 2.699 0 1 FFAF CCc1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 587227822 ZHDSQGHMQGUUKR-UHFFFAOYSA-N 366.421 2.668 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@H]([C@@H]1C(=O)OC)N2C 587489187 STYRFOYVBRMUKU-OKNMBPCOSA-N 373.449 2.704 0 1 FFAF COc1ccc(-c2nc3cc[nH]c(=N)c3[nH]2)c(I)c1 587180500 SERLDPAPLDQZKN-UHFFFAOYSA-N 366.162 2.651 0 1 FFAF CC(C)N1C[C@@H]2C[C@H](C1)C21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762463 IZXAUOQXAOVXFU-RZAFMCMNSA-N 352.400 2.888 0 1 FFAF COc1ccccc1[C@]1(CC(=O)N2CCCCCCC2)CC(=O)N(C)C1=O 11880356 JLWFTZHBBQUYOP-OAQYLSRUSA-N 372.465 2.505 0 1 FFAF OCCOc1cccc(CN2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 11938010 WSACXBXHMMRUKC-SFHVURJKSA-N 370.449 2.863 0 1 FFAF CCO[C@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166997271 QGCIVRRUTFZFNW-CQSZACIVSA-N 368.437 2.784 0 1 FFAF COc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 4238648 JPQUFQDWHRTZHT-UHFFFAOYSA-N 358.401 2.970 0 1 FFAF CCC[C@@H](CC1(C(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)CCCC1)C(=O)O 101091973 OLJFAUHUGYPHKD-KKUMJFAQSA-N 352.475 2.598 0 1 FFAF Nc1ccc(-c2cc(=O)c3c(N)c(F)c(C(=O)O)c(F)c3o2)cc1F 26170579 DTTJKKVSSNUHQH-UHFFFAOYSA-N 350.252 2.740 0 1 FFAF CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](O)/C=C/c1ccccc1 28708728 CEPFRRBOSIQQFH-XZQKKESVSA-N 369.417 2.919 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)C[C@@H]2C(=O)N3)cc1 2356810756 BBDQMFJYEKMDSS-KBXCAEBGSA-N 367.474 2.960 0 1 FFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@H]3C)n1 218937184 ZMIOQWILBZBCHW-VIFPVBQESA-N 374.857 2.975 0 1 FFAF COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)/C=C/c1ccc(OC)cc1 238741937 UYBDSERUMXMVGO-CWRQFWGNSA-N 369.417 2.618 0 1 FFAF COc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1 145378698 XJJGBQFMBPQWRK-KRWDZBQOSA-N 366.343 2.821 0 1 FFAF COc1cc(OC)c2c(c1)C(=O)O[C@H]2Cc1cc(OC)c2c(c1)OCO2 238772006 DYOKGLMAICYVHN-AWEZNQCLSA-N 358.346 2.895 0 1 FFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@]2(C)CO)ccc1O 238764057 GXYBSMORDFHHIO-OFSRWKALSA-N 372.417 2.799 0 1 FFAF COC(=O)c1cc(Br)c2nc(/C=C/C=C/C(=O)O)[nH]c2c1 587964632 ALFSTWVZJZNEPV-ZUVMSYQZSA-N 351.156 2.766 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1COC(=O)C1)[C@@H](C2)C3=O 587453622 PIUOMXMREOXMCB-IVZHQMGZSA-N 350.370 2.901 0 1 FFAF COc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587150261 RFDHJEGIBXJEFI-NSHDSACASA-N 358.348 2.761 0 1 FFAF Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1 1772572272 SYPWQAWULYRCBC-UHFFFAOYSA-N 352.423 2.801 0 1 FFAF COc1cc(OC)nc(N2C(=O)CS[C@H]2c2c(F)cccc2F)n1 169351456 FGQNUONRZTVZNW-AWEZNQCLSA-N 353.350 2.551 0 1 FFAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccco2)cc1OC 169729707 XKEVFYBJHFXTIW-IAGOWNOFSA-N 372.377 2.882 0 1 FFAF CCOC(=O)CCc1nc2nc(N3CCCC[C@@H]3CC)ccc2[nH]c1=O 766777 LFONIJUDAYKOQQ-ZDUSSCGKSA-N 358.442 2.583 0 1 FFAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356407787 LCESTORIXPKFIW-BMRMVVLESA-N 366.413 2.644 0 1 FFAF Cn1cc(-c2cc(C(=O)N3CC[C@@H](n4ccnc4)C3)c3ccccc3n2)cn1 23581906 KMAWOWRJEONXTH-MRXNPFEDSA-N 372.432 2.919 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@]12O 2356537168 JDRASYJDBQMJOH-QEJDBJEXSA-N 350.499 2.683 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 2356669455 CABGQYFITSLGGW-SIMXCOLVSA-N 358.390 2.534 0 1 FFAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(N)c3)sc12 64559256 KQSPUGNLKRGKDL-ZDUSSCGKSA-N 367.478 2.808 0 1 FFAF O=C(OCC1=CC=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 14489384 KTTMZEVXOJGXQS-RBUKOAKNSA-N 350.370 2.926 0 1 FFAF biogenic CN1C[C@@H]2C[C@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 40690515 XXWOCVWJOICKHA-LSTHTHJFSA-N 351.446 2.948 0 1 FFAF CC(C)C[C@H]1COCc2cn(nn2)CC[C@H](Cc2ccccc2)C(=O)N1 95898392 PJFGCUVPYCUKFQ-MSOLQXFVSA-N 356.470 2.588 0 1 FFAF CCCC[C@@H](C)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95586124 UQQBSWNPGFGQRN-LLVKDONJSA-N 365.455 2.620 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc(-c4ccn(C)n4)n3n2)c1 299829588 KKRQBSOWBUDWFB-UHFFFAOYSA-N 368.422 2.693 0 1 FFAF C[C@@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589500 XFKTZDICACTGQK-PXNSSMCTSA-N 374.356 2.707 0 1 FFAF C[C@@H]1C(=O)[C@@]2(C=CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580264 BHXAWGJSZZUHHI-QROBEVECSA-N 351.358 2.509 0 1 FFAF CCOc1ccc(-c2nn(C(=O)NO)c(=O)c3ccccc23)cc1OCC 587669958 RXIBJRIEDRZPCP-UHFFFAOYSA-N 369.377 2.808 0 1 FFAF COC(=O)c1cc(OC)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440171 AXJKGVXYBMTYIO-DNVCBOLYSA-N 354.358 2.979 0 1 FFAF CC(=O)OC[C@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225335 DCOOMIGNDNLXKM-XLIONFOSSA-N 356.422 2.638 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 13379878 ZBVQSGGQLPHKKZ-DOTOQJQBSA-N 356.374 2.879 0 1 FFAF biogenic,in-vitro C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15162139 YIPMKFWEORGSOZ-XXHWZFJYSA-N 360.406 2.614 0 1 FFAF CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCOCC1 1857774925 CJUYLQHHCLMOGN-UHFFFAOYSA-N 359.422 2.714 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)[C@H]1CC=C[C@@H]32 2356400703 HKBMNOPNVQFUSG-FFCBISMGSA-N 358.390 2.534 0 1 FFAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(N2CCNC2=O)c1 113541954 KCLLNOMQAROJFA-HNNXBMFYSA-N 367.449 2.956 0 1 FFAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCCC2)C[C@@H]1C(C)C 2356318496 VMJWYMWVGSHZKV-OKZBNKHCSA-N 350.503 2.616 0 1 FFAF COc1ccc([C@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 64453789 VPOACCMJRTVHJX-ARFHVFGLSA-N 356.472 2.967 0 1 FFAF COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@H]32 39205785 HJAHCQDLTFWFQN-QYRPDUKASA-N 356.466 2.939 0 1 FFAF COc1cc(C)c2c(c1C)Oc1c(c(C)c(O)c3c1[C@H](O)OC3=O)OC2=O 14514504 PGRWVCGZKIXMQW-LJQANCHMSA-N 372.329 2.812 0 1 FFAF biogenic Cc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1 40394347 BKBOPZCRBCJLJD-ZDUSSCGKSA-N 358.467 2.696 0 1 FFAF CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCOCC1 1911576132 PPHMJXRXAFTGEC-UHFFFAOYSA-N 363.454 2.714 0 1 FFAF CC[C@@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(F)cc21 45367584 LPEOCEBBOVEJDF-OAQYLSRUSA-N 370.424 2.965 0 1 FFAF O=C(CNC(=O)c1ccc(-n2ccnc2)cc1)N[C@H]1CCCc2ccccc21 148813500 NWRZXVYYHQMCAU-FQEVSTJZSA-N 374.444 2.796 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNCC4)s1)[C@@H](C2)C3=O 587452729 UHEGVWWWKAPDML-DJJJIMSYSA-N 356.447 2.655 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)C(F)(F)C1 587132287 PEKRIXQPWWLUAH-ZETCQYMHSA-N 359.764 2.928 0 1 FFAF NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586930642 UPDMLKYTIJEEOO-UHFFFAOYSA-N 357.222 2.720 0 1 FFAF CCc1ccc(C(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587956524 FPFJHSSIFCTFNV-UHFFFAOYSA-N 357.435 2.588 0 1 FFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC(=O)O)c1 587402559 ZBFWBDXIPHCNTG-KRWDZBQOSA-N 357.362 2.756 0 1 FFAF CC[C@H]1N=C(C)C(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)=N1 1857744890 FRBFMNOYWGDUQI-HNNXBMFYSA-N 353.392 2.874 0 1 FFAF O=c1c2c([nH]c3ccccc13)[C@@H](c1occc1CO)N(c1ncccn1)C2 1857762367 IGJXYJGPMKMFIA-KRWDZBQOSA-N 360.373 2.513 0 1 FFAF c1cnn(-c2ccc(CNCCNCc3ccc(-n4cccn4)cc3)cc2)c1 210458770 GXRDIIPKXIJIRO-UHFFFAOYSA-N 372.476 2.937 0 1 FFAF O=C(CCS(=O)(=O)c1cccc2nsnc12)NC1CCCCCC1 3665178 ULUYDNPOCKWHHC-UHFFFAOYSA-N 367.496 2.694 0 3 FFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NCc2cnc3ccccc3c2)cc1 2356287371 HVLAZSKFCJBSJA-QESAQDPVSA-N 364.445 2.611 0 1 FFAF COc1ccc(-c2cc(NC(=O)NCCC(=O)O)c(C(=O)O)s2)cc1 103291422 YZGNAFUVJNRWHA-UHFFFAOYSA-N 364.379 2.718 0 1 FFAF CCCc1cc(OC)c(OC)c(C(=O)NC[C@H]2CCCN2CC)c1O 28523896 XGLIHZCJAFMECG-CQSZACIVSA-N 350.459 2.576 0 1 FFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2)n1 101564282 GEZIYVGLJVGBTP-INIZCTEOSA-N 365.389 2.832 0 1 FFAF COC(=O)C1=CN[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 2356500162 QRQPCYRAKCACCD-QCYRTUEFSA-N 351.450 2.752 0 1 FFAF C[C@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCC1 34858565 AARSWTCYRTZQER-CYBMUJFWSA-N 356.422 2.652 0 1 FFAF O=C1CCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139738907 KPZOMTQDJSMRGI-UHFFFAOYSA-N 355.413 2.896 0 1 FFAF COC(=O)c1cc([C@@H](O)CN[C@H](C)CCc2cccc(F)c2)ccc1O 45228020 KCJKTFJEFYNACI-YJYMSZOUSA-N 361.413 2.962 0 1 FFAF CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1 224794856 NYHMWLIAFDAPDL-UHFFFAOYSA-N 354.435 2.643 0 1 FFAF Cn1c(=O)c2c(cc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(C)c1=O 95595073 ABSJQRQXPUIGHS-BQYQJAHWSA-N 363.339 2.765 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587205194 ZINGZPGSJZYAGB-GFCCVEGCSA-N 372.347 2.540 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN2CCC[C@@H]2C1 587873087 UZPRDENILGCCDS-QGZVFWFLSA-N 372.444 2.508 0 1 FFAF C=CN1CC[C@H]([C@@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393428 IHHYSFGLHZQNCR-KKSFZXQISA-N 363.417 2.825 0 1 FFAF CS(=O)(=O)C[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587532151 NOGJZKDRFYSKPD-FQEVSTJZSA-N 371.458 2.866 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1n[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O 587439182 KIHBCSDSRVAUDJ-KPZWWZAWSA-N 350.330 2.758 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CN(CC(=O)O)C=C2)N1 587771155 FLEITHMYJQBPHD-SNVBAGLBSA-N 367.218 2.745 0 1 FFAF COc1ccc([C@H]2NCCc3nc4ccccn4c32)nc1Br 962981164 DPVDRQNXLIPWOT-CQSZACIVSA-N 359.227 2.736 0 1 FFAF CCOc1ccccc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18323335 BYWKUADVTOKDEU-XFKLWTPLSA-N 373.449 2.898 0 1 FFAF COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 169714445 JVYGJTIIBRCFAF-WMZOPIPTSA-N 367.405 2.667 0 1 FFAF COc1ccc(CCCN[C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC 209037996 VCXYAFYYEPQPBY-RTBURBONSA-N 362.514 2.869 0 1 FFAF Cc1nonc1CN(C)C(=O)c1cc(-c2cn[nH]c2)nc2cc(F)ccc12 20481609 XBXOXEDGRNEKEV-UHFFFAOYSA-N 366.356 2.728 0 1 FFAF COc1cc([C@@H]2CC(c3ccc(N)cc3)=NN2C(C)=O)cc(OC)c1OC 58582043 UXONERPOABEBOV-KRWDZBQOSA-N 369.421 2.992 0 1 FFAF N=C(N)SCCO[C@H]1CC[C@H]([C@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 100902246 AXHJHBJQQWLDTO-VWERNLLFSA-N 358.504 2.584 0 1 FFAF COC(=O)c1ccc2c(c1)[C@H](C(=O)OC)[C@@H]1[C@@](C)(C(=O)OC)CCC[C@@]21C 2356764920 YNEPSWZBQIGSBT-LRGYGIHKSA-N 374.433 2.981 0 1 FFAF CC(=O)O[C@@H](CNC(=N)C(Cl)(Cl)Cl)COc1ccccc1 39238920 JPAMJJFPLQHCKA-NSHDSACASA-N 353.633 2.934 0 1 FFAF CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(\O)OC)C(C)=N2 84526849 SUYFXQWRRZSUPU-PILJQMSFSA-N 358.423 2.931 0 1 FFAF C[C@@H]1C[C@@H](O)/C=C/C=C\CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 139869106 AAIKDNQBGRZMEM-SYBSEIPMSA-N 366.797 2.675 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 195209318 DUFGBXZQCBTAOV-KNCCTNLNSA-N 368.433 2.774 0 1 FFAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@H]3N2C)o1 263591818 AQODJJSXRAHXIU-KKXDTOCCSA-N 350.422 2.629 0 3 FFAF CC1(C)Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2C[C@@H]1O 32289858 FGODEADFHOJKFY-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic COc1ccc2c(c1)n(O)c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2=O 377829980 MHGJXLCACVICER-UHFFFAOYSA-N 355.248 2.645 0 1 FFAF C[C@@H](Sc1ncccn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586963354 IZHDTQPTNGHOPJ-CYBMUJFWSA-N 354.483 2.958 0 1 FFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)ncnc2[nH]1 587194179 NULHLERXWHLPKX-SECBINFHSA-N 354.842 2.524 0 1 FFAF CCn1cc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587432996 UMWQHNIYWCBQNB-SAJDBWTASA-N 367.449 2.938 0 1 FFAF CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 587951686 IKWVALOJAVBPJW-PNESKVBLSA-N 368.455 2.887 0 1 FFAF COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430706 BJLITMPJOKSHLK-JLTOFOAXSA-N 351.358 2.539 0 1 FFAF CCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587567918 ARYGEEBXPOPKKN-APWZRJJASA-N 363.373 2.739 0 1 FFAF CC(=O)c1ccc(OCc2cc(C(=O)NC[C@@H]3CCCCO3)no2)cc1 11844613 PJNKDAAJDXJGSP-INIZCTEOSA-N 358.394 2.755 0 3 FFAF COC(=O)CC[C@H](C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 12090466 SVSNLJMVXHJAAD-AWEZNQCLSA-N 364.490 2.846 0 1 FFAF CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CCN(C(C)=O)C2 13443715 AJLPJQVIHYFYRX-UHFFFAOYSA-N 352.456 2.814 0 1 FFAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCN(C)C2=O)cc1 13643002 YPRFZGADERCJFT-LBPRGKRZSA-N 353.426 2.901 0 1 FFAF C[C@@H](C[C@@]12C[C@@H]3C[C@](N)(C1)C[C@@](C[C@@H](C)O[N+](=O)[O-])(C3)C2)O[N+](=O)[O-] 1857768282 ODJGIELYZUQQTQ-KARBZBNUSA-N 357.407 2.628 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1COC3 113154812 PYLOUDRBBDQDTO-NSHDSACASA-N 358.369 2.673 0 1 FFAF CCCN(CCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 1552176 XKEPEJGXYZMKLY-INIZCTEOSA-N 373.453 2.780 0 1 FFAF Cc1cccc(Cc2nnc(NC(=O)N3CC(n4cccn4)C3)s2)c1 23192621 JIIKQPWQTPGIMH-UHFFFAOYSA-N 354.439 2.723 0 1 FFAF CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)[C@H]3CCCN3)c2)nc1N 103267331 PDHUICBUQPZDFK-CQSZACIVSA-N 371.441 2.606 0 1 FFAF COCCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 26980142 CMPIZRUPZHMGCL-UHFFFAOYSA-N 371.441 2.682 0 1 FFAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ccncc2)C1 116982042 ODRVYHSPGHESOR-CYBMUJFWSA-N 364.453 2.790 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 27981747 QWLAPSPAFCSTFN-NVXWUHKLSA-N 374.396 2.951 0 1 FFAF CCN1CCN(c2ncc(C)c(N[C@@H](C)[C@@H]3CCC[C@@H](OC)C3)n2)CC1 82202678 JPVIQWFSMNSFQB-RCCFBDPRSA-N 361.534 2.933 0 1 FFAF COc1cc2c(cc1O)[C@H](CO)[C@H](c1ccc(CCCO)c(OC)c1)O2 72127872 DTWUHAOZSGPUHQ-YWZLYKJASA-N 360.406 2.544 0 1 FFAF biogenic CCN=c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587567923 ARYGEEBXPOPKKN-VQIMIIECSA-N 363.373 2.739 0 1 FFAF O=C1COc2cc3nc(-c4ccc(F)c(Br)n4)[nH]c3cc2N1 587155830 TZJKSRTXXGBTDT-UHFFFAOYSA-N 363.146 2.857 0 1 FFAF C[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)N(C)C 587191015 KIXAMLJQPYGEKV-LURJTMIESA-N 362.069 2.976 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 586939728 SDOHXLHJQOEICD-LLVKDONJSA-N 371.466 2.591 0 1 FFAF Cc1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)o1 587276991 VWRHKFXGVRZVET-UHFFFAOYSA-N 351.156 2.918 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(OC)c3[nH]2)c1 586930189 HHJWSBQIBLUWNS-UHFFFAOYSA-N 360.439 2.664 0 1 FFAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCc3n[nH]cc32)N1 963189689 NAQPPSGSDYEJFF-DZGCQCFKSA-N 371.746 2.871 0 1 FFAF Cn1ncc2cc3nc(c21)CCCOC[C@H](c1ccccc1)NC(=O)N3 1772571341 BHKSQASETWLPNC-MRXNPFEDSA-N 351.410 2.794 0 1 FFAF CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@H](C)C3)cc21 5929713 HRUIQWXIUSSRCD-TXEJJXNPSA-N 361.417 2.606 0 1 FFAF CO[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857757999 FPDPQXHQERKGIO-AUUYWEPGSA-N 374.387 2.681 0 1 FFAF COC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 27519086 SWOCNAZMBQHTAS-SJORKVTESA-N 373.380 2.615 0 1 FFAF O=C1Nc2ccccc2[C@@]1(O)Cc1cncc(Cc2c[nH]c3ccccc23)n1 2356819132 DZHDNSKQSGLWTF-QFIPXVFZSA-N 370.412 2.931 0 1 FFAF CCCN1c2ccccc2N(C(=O)CN(C)C)c2ccccc2S1(=O)=O 28766516 POWHJINAAJGZIB-UHFFFAOYSA-N 373.478 2.832 0 1 FFAF C[S@@](=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 71318445 FCWWTHQCXQLULC-VWLOTQADSA-N 352.419 2.716 0 1 FFAF Cc1cc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)ccn1 34804727 DCYJRONKTIQNEU-OAQYLSRUSA-N 357.417 2.692 0 1 FFAF COc1cc(N[C@H](C)CCCNC(=O)NCCCO)c2ncccc2c1 43067468 REBRTQHYDOCHTF-CQSZACIVSA-N 360.458 2.506 0 1 FFAF O=C(O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40420440 JLXJLERJOBFDSE-HXUWFJFHSA-N 365.433 2.911 0 1 FFAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2C)ncc1Cl 95555296 QUNPHSMWVSWDRP-UHFFFAOYSA-N 361.833 2.696 0 1 FFAF COC(=O)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1 653698650 UTWRHHCFUVHPKG-UEXGIBASSA-N 351.402 2.719 0 1 FFAF O=C1NCCN1CCOc1nn(-c2ccccc2F)c2ccc(F)cc12 653852791 CNIKHLHYNGKNJM-UHFFFAOYSA-N 358.348 2.708 0 1 FFAF C[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584830 BFXLELCDQOVPAD-WIYYLYMNSA-N 369.417 2.835 0 1 FFAF O=C(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cc2c(s1)CCC2 587035668 XYSLKUASZKOEFA-UHFFFAOYSA-N 353.407 2.625 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 587871803 BTKVYIAUUQIQHO-LBPRGKRZSA-N 366.414 2.553 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(O)cc3Cl)[nH]c12 587053762 IEGWHVUTBLYVQA-UHFFFAOYSA-N 351.815 2.839 0 1 FFAF COC(=O)c1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1OC 587119602 ZZBXPTRUXALUOY-UHFFFAOYSA-N 368.315 2.816 0 1 FFAF Cn1c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc2ccccc21 963238489 ZGUXHVPVHXLVEN-IEBWSBKVSA-N 358.401 2.810 0 1 FFAF COc1cccc2cc3c(nc12)[C@@H](c1cnc(Br)n1C)NCC3 963062977 YRMIZCBUGIQTQS-MRXNPFEDSA-N 373.254 2.975 0 1 FFAF O=C1[C@H](N2CC(c3ccc(O)cc3)C2)CCN1Cc1ccc(F)c(F)c1 1772636641 MNXQMDYGFBZPDD-LJQANCHMSA-N 358.388 2.871 0 1 FFAF CCN1C(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2)C(C(=O)O)=C1C(=O)O 13553478 OKZJXWRODZEZBB-HNNXBMFYSA-N 373.405 2.755 0 1 FFAF Clc1cccc(N2CCN(CCCCN3C[C@@H]4CCCN4C3)CC2)c1 19332308 HBNTXNSLNZMDEK-FQEVSTJZSA-N 362.949 2.980 0 1 FFAF COc1ccc(-c2nnn3c2Cn2c4ccccc4c(=O)n2[C@@H](C)C3)cc1 203473829 SISGVZFRPSRSGB-ZDUSSCGKSA-N 361.405 2.693 0 3 FFAF COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]31C)CO2)[C@@H]1CO1 208874669 DQKIVJKTAXWJRV-LBCJTQIASA-N 364.482 2.857 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@H]1CC[C@H](C2)N1 100632543 ICSWGEYUPVMDJL-IUODEOHRSA-N 353.447 2.755 0 1 FFAF O=C(COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C(=O)O)c1ccccc1 28948071 KXZSOVFOFVXVTM-LJQANCHMSA-N 350.374 2.701 0 1 FFAF CC1=Nc2nc(-c3ccccc3Cl)nn2[C@H](c2ccccn2)[C@H]1C(N)=O 61878091 MDUIRKOCSDEHKJ-LSDHHAIUSA-N 366.812 2.790 0 1 FFAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3C[C@H]21)OCO4 2356477899 LUTHHZHBSYGWMF-YFMMTPMMSA-N 351.358 2.868 0 1 FFAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 36009727 YTPIKBDQYYJFBE-OAHLLOKOSA-N 366.446 2.713 0 1 FFAF Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)NCC(=O)N12 36388983 IYDGZWSIRKEBNR-MOFCZTIZSA-N 362.429 2.559 0 3 FFAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccc(F)cc1Cl 219121625 CBPXBZDPQNUGDX-JTQLQIEISA-N 372.791 2.572 0 1 FFAF O=C(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CC1 72185744 QKFSMQVZXCLMLD-IBGZPJMESA-N 372.419 2.835 0 1 FFAF CO[C@@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84652875 IJQMPJJDNNFMLK-MRXNPFEDSA-N 365.547 2.608 0 1 FFAF O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)C1=NNC[C@H]1c1ccccc1 95558718 LOJAEDCLYUOYIK-HNNXBMFYSA-N 365.824 2.834 0 1 FFAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(F)c2)ON1C 95590471 JVLXBLDACJQBFI-KGLIPLIRSA-N 360.322 2.992 0 1 FFAF CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]42 263638930 YBDIDQHYUBEDQR-JBINPLMMSA-N 352.434 2.780 0 1 FFAF COc1c2cn3c(cc-2cc(=O)c1OC)-c1cc2c(cc1CC3)OCO2 653707427 OZRFNFVVHOVJGT-UHFFFAOYSA-N 351.358 2.922 0 1 FFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)cc2[nH]1 587256952 WXBFVOSETXEZCO-SNVBAGLBSA-N 354.248 2.927 0 1 FFAF NS(=O)(=O)c1ccc(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875738 LPHBDKDQTABMRV-UHFFFAOYSA-N 374.353 2.523 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 587230138 FMIQADNSZCFQJH-OLZOCXBDSA-N 361.442 2.617 0 1 FFAF Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 586929500 WRMACUFCGNNSCL-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1Cl 587065673 XEVIEXKWSKRXOU-UHFFFAOYSA-N 372.816 2.761 0 1 FFAF COc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1=O 587588996 SSUNTBYJOZXXHG-XLIONFOSSA-N 365.341 2.792 0 1 FFAF Cc1cccc(C(=O)NCCCCNCc2cccc(-n3cccn3)n2)c1 13782315 LFGAIFMFBGMNCF-UHFFFAOYSA-N 363.465 2.876 0 1 FFAF Cc1cccc(CN2CCC[C@](O)(CN3CCc4ccccc4C3)C2=O)c1 19795045 OTUXOWFFWOIXKM-QHCPKHFHSA-N 364.489 2.907 0 1 FFAF Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 164910977 CKHPZMGWWRIKOE-CYBMUJFWSA-N 373.526 2.766 0 1 FFAF Cn1cc(-c2cc3c(-c4cccc(C5CCNCC5)n4)n[nH]c3cn2)cn1 205254677 DPCSEKLXKDUSOY-UHFFFAOYSA-N 359.437 2.887 0 1 FFAF CCOC(=O)Cc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O 2499999 WXMNQPBCNFYGKD-CZUORRHYSA-N 370.453 2.583 0 1 FFAF COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C 4909378 HGUUUNBGXRVDMQ-UHFFFAOYSA-N 361.467 2.637 0 3 FFAF aggregator Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)NCCC(C)C 8605372 GFQQBSIUVUJQMN-LLVKDONJSA-N 372.391 2.786 0 1 FFAF C[S@@](=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 101470835 OBXGUJHUIVZSQP-VWLOTQADSA-N 368.336 2.779 0 1 FFAF O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)nc1)N1CCN(C2CCC2)CC1 113857320 ODHVWXCDTWEUDK-GJZGRUSLSA-N 353.388 2.901 0 1 FFAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(C)c(C)cc3nc2-1 26656252 NNFRIADVLHUVES-JOCHJYFZSA-N 360.413 2.765 0 1 FFAF O=C1OC[C@H]2Cc3ccc4c(c3C(c3ccc5c(c3)OCO5)=C12)OCO4 2356762698 NHPQUOJLDVERNK-GFCCVEGCSA-N 350.326 2.675 0 1 FFAF COC(=O)[C@]12C[C@@]34C[C@H](C)CC[C@H]3[C@@]3(C)[C@H]1C(=O)[C@@H](C[C@]3(O)O4)C2(C)C 2356797680 OHQMUENDPIGROS-UJHNINPUSA-N 362.466 2.695 0 1 FFAF CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1CN1CCOCC1)[C@@H]34 2356864434 VURRTCNKMDHILB-LJQANCHMSA-N 356.466 2.887 0 1 FFAF COc1cccc(C2=N[C@@](C)(CC(=O)NCCc3ccccc3)ON2C)c1 74374045 VKBBHROIBFBXMC-OAQYLSRUSA-N 367.449 2.784 0 3 FFAF COc1ccc(-n2cnnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 35259112 PQYSMLKHJUEGRR-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF COc1cc(OCc2ccncc2)c(C(=O)Nc2cnccn2)cc1OC 40568669 MCTMWZGMOWIEAT-UHFFFAOYSA-N 366.377 2.720 0 1 FFAF COc1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccccc3)OC2=O)cc1 40865062 JGUCWMOFEHLOIZ-LRJKXPEMSA-N 368.385 2.614 0 1 FFAF COC(=O)c1cc([C@@H](O)CN[C@@H](C)CCc2cccc(F)c2)ccc1O 45228017 KCJKTFJEFYNACI-DJJJIMSYSA-N 361.413 2.962 0 1 FFAF COc1cc([C@H]2OC[C@@H](Cc3ccc4c(c3)OCO4)[C@H]2CO)ccc1O 86043669 GRYMYKQGSSTJBA-STXHMFSFSA-N 358.390 2.668 0 1 FFAF in-man O=P(O)(O)[C@H](CCc1cccc(Oc2ccccc2)c1)S(=O)(=O)O 40405544 MZTGGNAWLSMCLZ-HNNXBMFYSA-N 372.335 2.803 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 95894817 OIEGYFAFDUVRDN-TZYOPSMBSA-N 370.493 2.701 0 1 FFAF CC(C)C[C@H](NO)NC(=O)[C@@H](Cc1ccc(O)cc1)NCc1ccccc1 35280487 CTIWPWKPYDQLCB-UXHICEINSA-N 371.481 2.560 0 1 FFAF biogenic COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587428082 NFCJZLLVEHCWTK-RBZFPXEDSA-N 368.316 2.838 0 1 FFAF CC1(C)C[C@@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596263 QFQBCCGTZCBHKZ-OXQOHEQNSA-N 353.374 2.781 0 1 FFAF CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 586954718 NVOBGJIRIPFQBD-UHFFFAOYSA-N 363.270 2.513 0 1 FFAF CC(=O)N(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O 587740904 LLNVSGPAMMXZMZ-XXFAHNHDSA-N 371.250 2.733 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cncc(Br)c2[nH]1 587094666 SGHVVNSYZOLOGZ-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF CC[C@H]1C[C@H]2CN3CC[C@@]4(Nc5ccccc5C4=O)[C@](C(=O)OC)(C2)[C@H]13 685935548 BXHQWEMRWSKGAS-HGGFFIMXSA-N 354.450 2.717 0 1 FFAF biogenic,in-vitro C[C@H](Oc1cccc([C@@]2(C)c3ccsc3CCN2C(N)=O)c1)C(=O)O 962705476 NSOPVQZCMFECIC-VOJFVSQTSA-N 360.435 2.800 0 1 FFAF O=C1N[C@H](C(=O)NCc2cccc(Cl)c2)Cn2c1cc1ccccc12 1772650385 FHQUKWJHLBPBAJ-HNNXBMFYSA-N 353.809 2.723 0 1 FFAF COCCNC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 13657636 DHBBAVJLHGWTLL-UHFFFAOYSA-N 357.797 2.948 0 3 FFAF N[C@@](CCc1ccccc1Oc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777428 HQEJSOMODQBQGB-TWOQFEAHSA-N 355.390 2.914 0 1 FFAF Cc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 169350410 VXWKZRBIKLRWCS-INIZCTEOSA-N 367.474 2.521 0 1 FFAF NC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@H]2c2ccccc2O1 206392228 SQQBIRGIDLWJIF-HNNXBMFYSA-N 368.820 2.988 0 3 FFAF CCc1ccc(-n2cc(CNC(=O)C(=O)c3cc4ccccc4[nH]3)nn2)cc1 1857555984 BZQGZEQWQDVATR-UHFFFAOYSA-N 373.416 2.810 0 1 FFAF COc1cccc(CCCNC[C@@H](O)c2ccc(O)c3nc(O)ccc23)c1 1857613771 UCSUEYUTYFUYAP-LJQANCHMSA-N 368.433 2.910 0 1 FFAF CNC(=O)c1cc2c(s1)CCN1Cc3c(OC)ccc(OC)c3C[C@@H]21 1857634881 DVJJVORWOYQYLX-AWEZNQCLSA-N 358.463 2.780 0 1 FFAF CC(C)(O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@H]1O 101499883 KFBQRZHPKRMWKO-YKZCJQPKSA-N 371.521 2.828 0 1 FFAF O=C(NC1CCCCC1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680085 HHCWLTJSEKHBIC-UHFFFAOYSA-N 373.497 2.780 0 3 FFAF O=C1CC(=O)N(CCc2ccccc2F)C(=O)N1CCc1ccccc1F 102843414 MPOPNGZBOXYXBU-UHFFFAOYSA-N 372.371 2.931 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccccc2)=N1 101349143 JDDLKQYBXGUQKD-GOEBONIOSA-N 360.369 2.643 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 101626508 PJQBNQWXRQYSNG-SUMDDJOVSA-N 357.431 2.550 0 1 FFAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]2(O)[C@H](O)CC[C@@H](C)[C@]12C 2356488497 OVZYDQPLJDOTDE-NQBUOGDUSA-N 362.422 2.863 0 1 FFAF O=C(O)CC(=O)N[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26508115 OOAVQQRJDWPIDS-ROUUACIJSA-N 369.417 2.522 0 1 FFAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)cc1O 1645463 TUXIKUQNFFNQOA-CVEARBPZSA-N 372.417 2.992 0 1 FFAF biogenic N[C@@H]1CSCON2CCc3c([nH]c4cc(Br)ccc34)[C@H]12 6093957 DBJUZIDWYRVTSZ-RISCZKNCSA-N 354.273 2.793 0 1 FFAF biogenic O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1CCc1ccccc1 6344178 OZMYGEQSHRFQCI-HXUWFJFHSA-N 359.429 2.506 0 1 FFAF biogenic COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](OC)[C@H]2C(=O)N3)cc1 8297080 VSJKNUAEXBMGIG-MSOLQXFVSA-N 352.390 2.544 0 1 FFAF biogenic CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1 35907024 YXHUHTUHWNTZIH-UHFFFAOYSA-N 372.446 2.814 0 1 FFAF COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2N(Cc2ccc3c(c2)OCO3)C1 210507149 YZTDPXQHKLANAG-UHFFFAOYSA-N 368.345 2.900 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1ccccn1 49036801 IKQJYEKVFJCZMM-KBPBESRZSA-N 368.824 2.518 0 1 FFAF CC(C)(O)[C@H]1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1 32289869 MPYLJLHMKWTFTC-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic CCCCNS(=O)(=O)c1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 587026973 NVPRYLBRWOIYBS-OAHLLOKOSA-N 364.496 2.751 0 1 FFAF CC(C)Cn1[nH]c(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1=O 587876683 VQKSZVQDVBARCV-UHFFFAOYSA-N 356.357 2.824 0 1 FFAF CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430609 WAWKDMXOSJHWOG-XFHCKVIWSA-N 373.449 2.990 0 1 FFAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 587041090 VWBPREKRWQHFDX-LURJTMIESA-N 371.513 2.913 0 1 FFAF CCOC(=O)C[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436934 VLWAERDECAKYMC-VLIAUNLRSA-N 353.374 2.686 0 1 FFAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n(C)n1 587660539 GRKGFPSKYMMQKL-UHFFFAOYSA-N 362.364 2.933 0 1 FFAF CC1(C)OC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618923 VNRWAVDFVQBYBG-MGPUTAFESA-N 368.341 2.870 0 1 FFAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccnc(OC)c1)[C@@H](C2)C3=O 587437385 ZLFFJCYTYKKXPX-XOBRGWDASA-N 369.373 2.607 0 1 FFAF CC(C)(C)OC(=O)N1[C@@H](C2CCOCC2)c2scnc2C[C@@H]1C(=O)O 963155523 YRTWKUNEDKTBBK-OLZOCXBDSA-N 368.455 2.857 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@](C[C@@H]1CCCN1)(c1ccccc1)NCC2 962927500 RHQRDVHQPZDNIV-REWPJTCUSA-N 363.505 2.920 0 1 FFAF O=C1CCC2(CCN(Cc3cscn3)CC2)CN1C1CCC(O)CC1 91951410 XONZBRPFAUMZCH-UHFFFAOYSA-N 363.527 2.651 0 1 FFAF O=C1C[C@@H]2[C@@H](COC(=O)c3ccccc3)N(OCc3ccccc3)C[C@@H]2O1 5723254 ZKFVANLSBTUPBA-QRVBRYPASA-N 367.401 2.591 0 1 FFAF Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCCC2=O)c1 11874959 AJGYGMMEYDRXPD-SFHVURJKSA-N 366.465 2.605 0 3 FFAF O=C(O)c1ccc2ccccc2c1CCCn1cnc2c1NC=NC[C@H]2O 13807506 NSZCHJJJAXDYNF-QGZVFWFLSA-N 364.405 2.855 0 1 FFAF C[C@]1(c2nnnn2-c2ccc3ccccc3c2)CSCC(=O)N1C1CC1 203465408 PTGJTWLSRGNPKK-LJQANCHMSA-N 365.462 2.769 0 3 FFAF Cn1cc(-c2nc(C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1 204648113 MWMPGGJOCQTTCE-UHFFFAOYSA-N 361.409 2.835 0 1 FFAF COC(=O)c1c[nH]c2cc(OCCOc3ccccc3)c(OC)cc2c1=O 1857592869 XFQZSCZBYFNCKP-UHFFFAOYSA-N 369.373 2.781 0 1 FFAF C=C1C(=O)O[C@@H]2C=C(C)C[C@@H]3C=C(C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12)C(=O)O3 253929961 VUJQBTYMLACYEA-IYYOBANKSA-N 360.406 2.634 0 1 FFAF C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3C(=O)C[C@]12C 2356402747 PJMSRJYOTNDEEP-QOURBAAMSA-N 350.499 2.537 0 1 FFAF CCCCN(C)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O 6739344 CNGSMZOKPGDHJQ-UHFFFAOYSA-N 364.449 2.641 0 3 FFAF CC(C)n1c(=O)n(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C)c2ccccc21 100932726 AJHCSFKCWMDCCD-HOTGVXAUSA-N 356.470 2.957 0 1 FFAF CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@@H]2C1=O 103260451 QLBYNJNJSAHWFL-OALUTQOASA-N 353.466 2.895 0 1 FFAF O=C([C@H]1C[C@@H]1c1cccc(N2CCCC2=O)c1)N1CCN(C2CCC2)CC1 113831715 XAGDIZMJFDFBJY-UXHICEINSA-N 367.493 2.614 0 1 FFAF CCCC[C@@]12C[C@@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 101050071 PILFFSFQSAQLOR-ZWKOTPCHSA-N 364.829 2.701 0 1 FFAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(C(=O)O)cc1 29470281 GJEVDCKWFSTJNV-UHFFFAOYSA-N 365.315 2.658 0 1 FFAF CC(=O)NCCNc1nc2cc(-c3cc(F)ccc3C)sc2c(=O)n1C 61896023 LTCVUMUJEVUCAL-UHFFFAOYSA-N 374.441 2.658 0 3 FFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C(C)C)n1 2356499333 BTOLLRDJMUUBFJ-BURNTYAHSA-N 369.509 2.599 0 1 FFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3F)CC1)C2 117365334 NTRIZHVBBWQPSL-UHFFFAOYSA-N 367.424 2.545 0 1 FFAF O=C1N=C2OC=C(C(=O)Nc3ccc(Oc4ccccc4)cc3)N2CCN1 74380294 HBHTWGMYMLHFFO-UHFFFAOYSA-N 364.361 2.670 0 3 FFAF CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212179211 ISXYBXFWPAYGSZ-UHFFFAOYSA-N 372.425 2.830 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(CO)CCCC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 1911581817 HLJLFVFLZDEMMN-DGTZSPGXSA-N 358.390 2.678 0 1 FFAF CCCS(=O)(=O)Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1 40893744 ANGRBZMMPDQGNC-UHFFFAOYSA-N 368.358 2.868 0 1 FFAF Cc1cc2c(-c3ccc(S(=O)(=O)NCC(C)(C)O)cc3)ccnc2[nH]1 95555026 BFXYIBREKSWTFK-UHFFFAOYSA-N 359.451 2.588 0 1 FFAF C=C1C(=O)O[C@@H]2C=C(C)C[C@@H]3C=C(C[C@H](OC(=O)[C@H](C)CC)[C@@H]12)C(=O)O3 299808493 VUJQBTYMLACYEA-IDAWXYBZSA-N 360.406 2.634 0 1 FFAF C[C@]12CCC[C@@]34[C@@H]1C(=O)C[C@@]15C[C@](C)(O)[C@@H](C[C@@H]1[C@H]3N1CCO[C@H]12)C[C@H]54 255192335 ADWWSTLDHHDKTM-NIRTXNSESA-N 357.494 2.590 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Nn3cccc32)N1 587770105 IGXGPBWFONACIW-FVMDXXJSSA-N 364.218 2.641 0 1 FFAF COC1=COC(CO)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832246 JDAFFWMDCGRMRD-XXFAHNHDSA-N 370.218 2.712 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1O)[C@@H](C2)C3=O 587445909 ZBTXSKIQUUPAPL-KKSFZXQISA-N 367.401 2.726 0 1 FFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4[nH]c(=N)[nH]c(Cl)c-4n1)(C3)C2 587951061 RESVDCCKVKUEMI-KBDCMEBJSA-N 361.833 2.524 0 1 FFAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 586973082 NJRSGWFHDWWJJH-QGZVFWFLSA-N 355.467 2.838 0 1 FFAF COc1cc(OC)c(OC)cc1C[C@@]1(C)NCCc2nc3ccccn3c21 962987118 UOIFCOGXQGDCJG-OAQYLSRUSA-N 367.449 2.964 0 1 FFAF COCC(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 11027671 BAIKYEOFHMISHA-UHFFFAOYSA-N 352.398 2.608 0 1 FFAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@@H]1CCCCN1 169302635 LNOUDWPQEHYKOB-CVEARBPZSA-N 360.408 2.786 0 1 FFAF O=C1C(=O)N(Cc2ccccc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 169687212 ZOEUBFKJBHQMPQ-MSOLQXFVSA-N 360.369 2.826 0 1 FFAF O=C(NCc1ccncc1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166463363 JKNBKBPVTOEGCA-UHFFFAOYSA-N 373.416 2.954 0 1 FFAF Cc1ccc2c(=O)c(OCc3nn[nH]n3)c(-c3ccc(F)cc3)oc2c1 1857560465 QUNYYVOSQRRWRP-UHFFFAOYSA-N 352.325 3.000 0 1 FFAF CC1(C)CC(=O)c2c(noc2Cc2ccc(C(=O)N3CC[C@@H](O)C3)cc2)C1 1857761968 BJXQSDSFOHQSGO-OAHLLOKOSA-N 368.433 2.627 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(F)cc(F)cc23)c1 3606707 YIGQPRLSSIGQGH-UHFFFAOYSA-N 364.373 2.995 0 1 FFAF CCOc1cc2[nH]c(=O)n(Cc3ccc(OC)cc3)c(=O)c2cc1OCC 6918004 XUUIFMUQBYRORA-UHFFFAOYSA-N 370.405 2.544 0 1 FFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1ccccc1 110929162 YCEIAWVKMIIBCY-MOPGFXCFSA-N 371.396 2.628 0 1 FFAF CC(C)CNC(=O)c1ccc(OC[C@H](O)[C@H](C)NC(C)C)c(Cl)c1 28767904 BMGOQEXYMZQIGL-BBRMVZONSA-N 356.894 2.852 0 1 FFAF Brc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1 29134352 RMXWGHDSQFWKHG-UHFFFAOYSA-N 372.270 2.814 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@@](OC)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356486190 IPJDRQJBSLBGOM-HVSHLEFESA-N 352.434 2.974 0 1 FFAF CC=C1[C@H]2CCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 2356542578 XYYNHAYSLUSRAP-AUNMJURBSA-N 354.450 2.818 0 1 FFAF COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2OC)ccc1O 2356655857 NOULHEAGJYQCHF-HKUYNNGSSA-N 356.330 2.992 0 1 FFAF O=C(Nc1ccncc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34837771 AJLZUVGTFWUIDB-UHFFFAOYSA-N 366.450 2.954 0 1 FFAF COc1cc2nc(N3CCCN(C)CC3)nc(NCC(C)C)c2cc1OC 82136521 MRZREHGVPUPEKW-UHFFFAOYSA-N 373.501 2.857 0 1 FFAF CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 40409484 HVBPDPAZGSLRKM-IADUGGKFSA-N 364.482 2.963 0 1 FFAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)n2n1 40895506 ZGJFZRFORJVGKG-UHFFFAOYSA-N 359.393 2.995 0 1 FFAF Cn1cc(-c2cnc(N)c(C(=O)NCc3c(F)cccc3Cl)c2)cn1 84689852 DCVACXYSTGCSNN-UHFFFAOYSA-N 359.792 2.787 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc1OC 95913747 MKWAWTRNIPHOLB-CJMONDIMSA-N 368.385 2.910 0 1 FFAF biogenic,in-vitro C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 94516703 AALLCALQGXXWNA-JUZOJGAKSA-N 358.390 2.533 0 1 FFAF COC(=O)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438446 FQZZWQORSMDRML-IERDGZPVSA-N 368.385 2.910 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1Br 586980001 MBYOQGIKECRLFG-UHFFFAOYSA-N 365.187 2.901 0 1 FFAF CC(=O)N[C@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1 586985528 NTVARCYUWQXWQR-GFCCVEGCSA-N 360.215 2.535 0 1 FFAF COC(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517730 TXASYRHMMNLKJB-FQEVSTJZSA-N 354.406 2.723 0 1 FFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587784817 JTHVBXSSVJQASG-QWHCGFSZSA-N 363.373 2.837 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc3scnn3c2=O)N1 962950633 HJWQGSSAZMUGME-WYRIXSBYSA-N 365.462 2.820 0 1 FFAF C[C@@H]1CNC(=O)C[C@@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962648316 WXXLISUSRDDKJY-MONBJTKQSA-N 361.489 2.785 0 1 FFAF CN[C@H]1c2c(ccc3c2ccn3S(=O)(=O)c2ccccc2)[C@H]1CCO 1772603036 QBRPGZFNANDQNL-DNVCBOLYSA-N 356.447 2.618 0 1 FFAF C[C@H]1SC(=O)NN=C1c1ccc2c(c1)C1(SCCS1)C(=O)N2 13447617 JXDFPUSSHDJUMY-SSDOTTSWSA-N 351.478 2.821 0 1 FFAF O=C(O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12 13860738 ZNXZWXYSOWLUIL-UHFFFAOYSA-N 369.377 2.821 0 1 FFAF O=S1(=O)Nc2c(cc(N3CCOCC3)c3cccnc23)-c2ccccc21 205623279 AWEKSKMYDFQTIC-UHFFFAOYSA-N 367.430 2.853 0 1 FFAF O=C1OC2(CCN(c3nc(O)c4c(n3)CCCC4)CC2)c2ccccc21 1857544146 CYTPHLGUFRTMFU-UHFFFAOYSA-N 351.406 2.727 0 1 FFAF CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)C=C[C@H](O)[C@H]4O)nc2c1 1857599119 NYOSMIIPIQXLMM-WMZOPIPTSA-N 371.414 2.710 0 1 FFAF O=C1[C@@H]2C[C@@H]2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640901 NOOIIOJGBZCOSW-KCPJHIHWSA-N 356.372 2.912 0 1 FFAF O=C(c1ccncc1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55308333 CPGDBGWXMPQUJO-FQEVSTJZSA-N 368.456 2.648 0 3 FFAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OC)c(OC)c1 103252995 REBVQASAMYDXIF-QGZVFWFLSA-N 371.389 2.667 0 1 FFAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356515013 VZYXNEBEPOYJPB-URVUXULASA-N 365.477 2.674 0 1 FFAF O=C1NC(=O)[C@H]2c3c([nH]c4cc(O)ccc34)Oc3cccc4[nH]cc(c34)[C@@H]12 2356722979 VLBHCPDDRYCSDJ-NVXWUHKLSA-N 359.341 2.984 0 1 FFAF CC(C)CN1CCC[C@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 2356849360 PVMZXVJPXTXTJH-UXHICEINSA-N 360.498 2.687 0 1 FFAF COc1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCOCC2)cc1 45356081 AQLBVBLFAUFECH-IBGZPJMESA-N 368.433 2.608 0 1 FFAF CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 49055668 KSTJTXFKYKEBRB-UHFFFAOYSA-N 360.417 2.878 0 1 FFAF CS(=O)(=O)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96088300 DKPKJGWZENNONB-UHFFFAOYSA-N 374.441 2.674 0 1 FFAF NC(=O)c1sc2nccc(N3CCCN(c4ccccc4)CC3)c2c1N 95605586 DEXAFBASLBZBIA-UHFFFAOYSA-N 367.478 2.694 0 1 FFAF O=C(C1CCCC1)N1C[C@]2(CCN(C3COC3)C2)OCc2ccccc21 299849851 FPIZTFSLVMDEHP-OAQYLSRUSA-N 356.466 2.583 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(CO)cc2[nH]1 587259383 GDOPXUIUGZJPNG-INIZCTEOSA-N 368.437 2.762 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3cc(C(=O)O)nn3c1C)O2 587395002 MZGYXNQUUFQJNR-IBGZPJMESA-N 366.377 2.507 0 1 FFAF CCOC(=O)C[C@]1(c2nccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451111 IBXSIWGPBSUPAW-XIKOKIGWSA-N 359.403 2.748 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)O)c2[nH]1 587194608 WFURUCGIGSEXPN-ZDUSSCGKSA-N 362.430 2.779 0 1 FFAF O=C(NCc1nc2ccc(Br)c(F)c2[nH]1)c1cscn1 587027793 GZGOADADNQAXFF-UHFFFAOYSA-N 355.192 2.851 0 1 FFAF O=S1(=O)CCC[C@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962709685 OUFRQMNYOLYJEM-DYVFJYSZSA-N 355.500 2.593 0 1 FFAF CCn1cc([C@@]2(CC(=O)C(F)(F)F)NCCc3c(C)ccnc32)cn1 963075520 SJTNXKCVLYJQNE-MRXNPFEDSA-N 352.360 2.517 0 1 FFAF CN(C)c1cccc2c(S(=O)(=O)Nc3nnc(S)s3)cccc12 5582474 HXOMQIIFJBQSEP-UHFFFAOYSA-N 366.493 2.847 0 1 FFAF COc1cccc(CNC(=O)CC[C@@H]2CCCN(C3CCOCC3)C2)c1 13596383 DWQCDVIUNKLYSR-KRWDZBQOSA-N 360.498 2.983 0 3 FFAF O=c1/c(=C\c2ccc(F)cc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 1857580788 OYYAGCLFLFSKRL-CXUHLZMHSA-N 373.840 2.586 0 1 FFAF C[C@@H]1OC2(CCN(CCc3ccccn3)CC2)CN(c2ccccc2)C1=O 1857572434 QPMLJPMWNURBDC-SFHVURJKSA-N 365.477 2.911 0 1 FFAF NC(=O)c1cc([C@H](O)[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 6093923 SFSYYHIAWBPIFK-WFASDCNBSA-N 353.344 2.528 0 1 FFAF C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 103262439 CFGXSLFUPKEOSD-CYBMUJFWSA-N 351.410 2.567 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4F)C[C@H]3C2)n1 116826307 PZTVGKKEEBDOLR-OKILXGFUSA-N 358.392 2.580 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 100770154 AOPOCGPBAIARAV-GCSFPLNZSA-N 350.455 2.905 0 1 FFAF endogenous,in-man Cn1ccc2c(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cccc21 2356630924 KGWIDHNJFKXTQL-SJLPKXTDSA-N 355.482 2.938 0 1 FFAF COC1=C(OC(=O)CCc2ccc(O)c(OC)c2)C=C[C@H](C=CC(=O)O)C1 2356777058 LYEAOBNLWKEIBD-CQSZACIVSA-N 374.389 2.952 0 1 FFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](NCC3CCCCC3)CO[C@@H]12 2356869114 XIGYXBCOIFRMLT-MKXGPGLRSA-N 360.454 2.940 0 1 FFAF CN1C(=O)S[C@@H](Cc2ccc(OCCN(C)c3ccccn3)cc2)C1=O 28521941 BMIXKAGKXQFYHW-INIZCTEOSA-N 371.462 2.833 0 1 FFAF Cc1cc([C@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)ccn1 34804730 DCYJRONKTIQNEU-NRFANRHFSA-N 357.417 2.692 0 1 FFAF Cc1ncc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)c(N)n1 73197602 JOARDYXBIBAAMF-UHFFFAOYSA-N 365.224 2.893 0 1 FFAF O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 14854780 UIPQDOWYNRWNGN-HDBZGKQISA-N 368.341 2.746 0 1 FFAF biogenic Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@@H](C)c1ccc(F)cc1 82203705 IKMYPQXCMVVAPK-ZDUSSCGKSA-N 357.433 2.799 0 1 FFAF FC(F)(F)c1cccc(-c2nnc3ccc(N[C@H]4CCCNC4)nn23)c1 40955901 RZPHTCAOYGPVSZ-ZDUSSCGKSA-N 362.359 2.974 0 1 FFAF O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCC1 43186557 WNDVVOWKOAJRIY-UHFFFAOYSA-N 351.472 2.925 0 1 FFAF C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)n21 82210770 XMOKYNRHXXBECV-HNNXBMFYSA-N 362.433 2.657 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)co1 82070834 IPVQVOMJRLTRHJ-HNNXBMFYSA-N 373.453 2.653 0 1 FFAF COc1cc(-c2c(OC)oc3c(OC)c(O)c(OC)cc3c2=O)ccc1O 238731861 RFVOBXHAYLSYPS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccccc4)c(O)c(=O)c3c(O)c2C[C@H]1O 95554632 FORZKFDSRRLEKM-CQSZACIVSA-N 354.358 2.946 0 1 FFAF biogenic COc1cccc(S(=O)(=O)N2CCc3cc(-c4ccncc4)cnc32)c1 299819013 AZGLQDYDPJCPQT-UHFFFAOYSA-N 367.430 2.904 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586960383 BNIMMSCJWJLKTO-RXMQYKEDSA-N 356.333 2.908 0 1 FFAF COc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586924799 AKMKSCYBAVDFBT-UHFFFAOYSA-N 358.419 2.791 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3cnc(Cl)[nH]c-3n2)C(F)(F)F)n1 587094873 VINJZMBKFAMKDF-NSHDSACASA-N 363.752 2.715 0 1 FFAF C[C@@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582757 QUMINLAUTLIHOT-LPHOPBHVSA-N 351.362 2.794 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CSC[C@@H]1C(=O)OCC)CC2=O 587496152 RXQIWHGZNDNZOT-ACJLOTCBSA-N 350.436 2.975 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586929084 AUWVOKYSYUFDSU-UHFFFAOYSA-N 371.249 2.697 0 1 FFAF Nc1nc(N)c2cc(S(=O)(=O)c3cccc4ccccc34)ccc2n1 169315083 AEHDZGICYGQKKH-UHFFFAOYSA-N 350.403 2.780 0 1 FFAF CC(=O)NCc1ccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963019746 FJOFDYRNTLQKHG-RBZFPXEDSA-N 369.490 2.701 0 1 FFAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c(C)c1CCC(=O)O 14962644 SNUCYAQWRAUYRP-ZSOIEALJSA-N 368.393 2.632 0 1 FFAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348285 ILVKLFOUGPBUMK-UHFFFAOYSA-N 374.452 2.638 0 1 FFAF Cc1nc(=O)c2c([nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccc2c(c1)C[C@@H](C)O2 169353434 WMIIWVPXIYYUEG-OAUYIBNBSA-N 351.450 2.534 0 1 FFAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCC3CC3)ccc1-2 209697724 MHGVKCIHBUUROS-KRWDZBQOSA-N 368.433 2.813 0 1 FFAF CC(C)OC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCC2 1857568655 YJUXXUULBYTNSK-UHFFFAOYSA-N 351.472 2.581 0 1 FFAF Cc1ccc2c(c1)c(-c1ccccc1)cc(=O)n2Cc1nnc(S)n1N 1857598526 RNAWEURGMUTTBE-UHFFFAOYSA-N 363.446 2.619 0 1 FFAF COc1ccc([C@]2(C)NC(=O)N(C(=O)c3ccc(F)cc3F)C2=O)cc1 1857611241 ZLQUKMDFNABIIR-SFHVURJKSA-N 360.316 2.581 0 1 FFAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nnc(-n3cccn3)s2)CC1 1857611938 FDVRGUKZYCSFRL-HIFRSBDPSA-N 374.514 2.635 0 1 FFAF CCOC(=O)c1cc2c(n1Cc1ccc(C)cc1)-c1nc(=N)[nH]cc1CC2 1857765715 XFXMGYLJOSQALN-UHFFFAOYSA-N 362.433 2.990 0 1 FFAF CCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 118734676 KAVDDJPIZFZXAK-UHFFFAOYSA-N 357.454 2.507 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@@]2(C)CO)ccc1O 2356507769 GXYBSMORDFHHIO-NHCUHLMSSA-N 372.417 2.799 0 1 FFAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1Nc1ccc2c(c1)CCC2 82203691 BVWICVKOCASTTR-UHFFFAOYSA-N 351.454 2.719 0 1 FFAF CO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@H]1OC(=O)N(C)C 87723512 DIQQLBPGHRQICQ-AOEPVMTBSA-N 360.454 2.727 0 1 FFAF Oc1nc(=S)[nH]c2c(-c3ccc(I)cc3)cnn12 96922745 MEZPBXCMGYIWNV-UHFFFAOYSA-N 370.175 2.764 0 1 FFAF Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCNCC4)cccc32)cc1 95562617 VYSPSXPMDGBZAE-UHFFFAOYSA-N 369.490 2.592 0 1 FFAF C/C=C1\CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 257529105 RCEFXZXHYFOPIE-SNECIFMISA-N 352.434 2.567 0 1 FFAF CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1cccs1 618013070 DWVYPFWKBZGMPD-KHSSZTOVSA-N 372.494 2.523 0 1 FFAF COc1ccc(C[C@H]2NCCc3cc4c(cc32)OCO4)c(C(=O)O)c1OC 58487429 KMFUNEOFNWQPNI-CQSZACIVSA-N 371.389 2.560 0 1 FFAF biogenic CCOC(=O)/C=C/c1ccc(OC(=O)c2nc(C)c(C)nc2C)c(O)c1 473131332 OTPPFYKOWJIBAU-VQHVLOKHSA-N 356.378 2.903 0 1 FFAF Nc1ncc(Cl)nc1-c1nc2ccc(I)cc2[nH]1 587086411 JCLIGZSJRWPBEN-UHFFFAOYSA-N 371.569 2.860 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncccc12 587789406 CIKUUWWNABUBDZ-ZKANADHPSA-N 362.202 2.713 0 1 FFAF CC(C)COc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br 587247625 VGJUOSDUOHGSKB-OAHLLOKOSA-N 354.248 2.935 0 1 FFAF CS(=O)(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587163711 UWSKWGHONOOOGY-UHFFFAOYSA-N 361.398 2.677 0 1 FFAF CCOC(=O)[C@H](CC)[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227121 FKWQADGUEGLUIT-GZRFBZBPSA-N 356.422 2.638 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccnc1)c1ncc[nH]1 963614174 WQGLRPNOQOFJFR-ZUOKHONESA-N 350.422 2.648 0 1 FFAF COc1ccc(C(=O)N2CCC[C@H](c3cc(C)nc4ncnn34)C2)cc1C 1772618020 VSEBQNKGBAFSQB-INIZCTEOSA-N 365.437 2.770 0 1 FFAF O[C@H](CO[C@H]1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1 1772639146 LEPMATVZPMPFLC-GOTSBHOMSA-N 366.505 2.697 0 1 FFAF O=C(NC1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1 167713282 MWOJJBFRYVDXTI-UHFFFAOYSA-N 366.465 2.697 0 1 FFAF COc1ccc([C@H]2c3cc4c(cc3[C@H](O)[C@H]3CCC(=O)N23)OCO4)cc1 6005638 MREHBXFNHVGEBG-XPGWFJOJSA-N 353.374 2.551 0 1 FFAF Cc1nn([C@H](C)C(=O)NC[C@H]2CCCO2)c(=O)c2c1sc1ccccc12 6799123 VYEJWWWSHYWHOZ-CHWSQXEVSA-N 371.462 2.776 0 3 FFAF O=C1NC(=O)[C@H](Cc2ccc(OCc3cn4ccccc4n3)cc2)S1 26825005 FMGLGZIWOLPVID-HNNXBMFYSA-N 353.403 2.807 0 1 FFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CCOCC4)cc3)ccc12 58592715 RBNFNKAFYAOLKT-UHFFFAOYSA-N 374.444 2.983 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4cnccc4[nH]3)C2)c1 2356300364 UPJUDMPMNHWUDB-YJBOKZPZSA-N 356.401 2.706 0 1 FFAF O=C(O)c1cc(CN2CCC(c3ccncc3)CC2)c2ccccn2c1=O 66078993 MTCGRZFJTXAXGT-UHFFFAOYSA-N 363.417 2.772 0 1 FFAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccccc2OC(F)(F)F)C1 61898356 FSQKMCNSXZVDAK-MRXNPFEDSA-N 358.360 2.964 0 3 FFAF CN(CCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Cc1ccccc1 195093112 JCQWKPHRUQWHIZ-ROMHJBHXSA-N 350.462 2.562 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 40955112 UWNHCVXSZHPSOC-YLJYHZDGSA-N 373.449 2.829 0 1 FFAF COc1ccc(S(=O)(=O)N2CCC[C@@](O)(c3ccccc3)CC2)cc1 43121557 CTMRNVLOBOSBEA-IBGZPJMESA-N 361.463 2.758 0 1 FFAF in-vivo COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 143337918 ACTKFGBVQOWIRY-GOSISDBHSA-N 363.335 2.936 0 1 FFAF Cc1cccc(C)c1N1NN=N/C1=C1/N=c2cc3ccccc3cc2=NC1=O 96142793 MAVGPQOWMATTFG-ZZEZOPTASA-N 368.400 2.797 0 3 FFAF Cn1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587656779 OADVYKSRJCIUDS-UHFFFAOYSA-N 366.327 2.764 0 1 FFAF CN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347972 VWURQEXTYVSVPD-UYAOXDASSA-N 355.365 2.881 0 1 FFAF CCOC(=O)C[C@@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595822 OQODWGZWMUFMFX-XLIONFOSSA-N 372.373 2.692 0 1 FFAF COc1cc2c3c(c1)OC1(CCN(Cc4cccnc4)CC1)[C@@H](C2)C3=O 587438796 RDBKYSVSIUJGLU-KRWDZBQOSA-N 350.418 2.872 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)nc(OC)c1OC)[C@@H](C2)C3=O 587435754 JLOKGHQJWZNLIY-APPDUMDISA-N 357.362 2.605 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)N(C)C)nc2c1 587190622 IVVYFOXCUADEDC-SECBINFHSA-N 354.248 2.995 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccccc1NC=O)O2 587388238 YXDXBSPELRRCOA-FQEVSTJZSA-N 368.389 2.871 0 1 FFAF COC(=O)c1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)s1 962930488 LNZBAAMRLQWNHO-IBGZPJMESA-N 358.463 2.646 0 1 FFAF CCc1cc(C(=O)N2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1 1772613451 UWYRRHICZDZAIZ-AWEZNQCLSA-N 364.453 2.706 0 1 FFAF CCCn1c(-c2cccc(C(N)=O)c2)nc2[nH]c(C3CCCC3)nc2c1=O 1772626838 PDAHYEWLXYXHNP-UHFFFAOYSA-N 365.437 2.953 0 1 FFAF CCCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(CCC)c1=O 12405378 WDTJCQXFAJILPY-VAWYXSNFSA-N 352.438 2.887 0 1 FFAF CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12 169704173 MLIFTZTWMYPZAL-OAHLLOKOSA-N 355.373 2.501 0 1 FFAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 4238185 CEVAQOMZPLUNEK-SFHVURJKSA-N 360.483 2.876 0 1 FFAF Nc1nc(N2CCC(Nc3ccc(C(=O)O)cc3)CC2)nc2ccccc12 27525312 IKADJZMMFXZMFN-UHFFFAOYSA-N 363.421 2.991 0 1 FFAF N=C(Nc1ccc2c(c1)SCCN2CCNCCO)c1cccs1 113971090 SABGANXHPJUUAK-UHFFFAOYSA-N 362.524 2.680 0 1 FFAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2CC3C[C@@H]1CC(O)(C2)O3 101095653 CTKDNRAPWIIIPH-GELFNKQVSA-N 365.857 2.890 0 1 FFAF COc1ccccc1N1CCN(C[C@@H]2CO[C@H](c3ccccc3)O2)CC1 103221573 MRKSHNBMDFJXRE-NQIIRXRSSA-N 354.450 2.931 0 1 FFAF NS(=O)(=O)c1ccccc1NCc1cc(=O)oc2cc(Cl)ccc12 27733985 BSYZJRHMVAGCGN-UHFFFAOYSA-N 364.810 2.706 0 1 FFAF CC1=CC[C@H]2C[C@@H](OC(=O)[C@@H]2C)[C@](C)(O)CCC[C@@](C)(O)CC[C@H]1O 2356781035 HMIGUDSITFEJTO-ZHRPLEGYSA-N 354.487 2.718 0 1 FFAF C[C@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@H]3N2C1=O 36388998 GMTJRWMLUIEDSJ-FSFQXNNFSA-N 362.429 2.639 0 3 FFAF Nc1ccccc1C(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1 1911579651 SXYCUPGQMKADDN-UHFFFAOYSA-N 352.415 2.814 0 1 FFAF Cc1cccc(-n2c(O)cc(=O)nc2SCC(=O)NC2CCCCC2)c1 135964047 WCTADCYVXXXXRM-UHFFFAOYSA-N 373.478 2.788 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCNC1 40897222 GJKQWBXWRRIYFO-GFCCVEGCSA-N 358.467 2.635 0 1 FFAF Cc1ccc2nc(SCCC(O)O)n(Cc3ccccc3)c(=O)c2c1 49070048 IOCLXLBMQHJBJH-UHFFFAOYSA-N 356.447 2.546 0 1 FFAF Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3C)c2=O)cc1 95587871 GKTONAITAXRIOO-UHFFFAOYSA-N 350.418 2.754 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC)cc1 95895093 IGUCQBFRJUMBIM-TVQHQIATSA-N 370.493 2.653 0 1 FFAF O=c1[nH]c(-c2cccc(S(=O)(=O)NCCc3cccs3)c2)cs1 299860605 GUYFKFRIONOIHJ-UHFFFAOYSA-N 366.489 2.686 0 1 FFAF O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCCN1Cc2ccccc2C1 299819237 AAIMRBAZLJIYQI-FQEVSTJZSA-N 361.445 2.781 0 1 FFAF COc1ccc2c(c1)SCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2 653687998 KOOWMHLTANBRDZ-UHFFFAOYSA-N 373.459 2.801 0 1 FFAF COc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 587196615 AFYRVLUSGLODAX-LBPRGKRZSA-N 362.430 2.883 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(N)(=O)=O)c1)CC2=O 587487979 OUQJUANBHOHHMJ-KRWDZBQOSA-N 361.419 2.699 0 1 FFAF COc1ccc([C@H](O)[C@@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 587936417 LBONCFPYVBSOCS-PRHODGIISA-N 363.215 2.913 0 1 FFAF Nc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccn1 962709745 RLYCRYHEBKAAOR-OCCSQVGLSA-N 355.291 2.510 0 1 FFAF NS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@H]2N2CCCCC2)cc1 215565426 KPOFRWYZAASAIZ-UXHICEINSA-N 372.490 2.865 0 1 FFAF CCN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)NC(C)C)cc21 5058589 VBFZGWUJHWFVFL-UHFFFAOYSA-N 372.446 2.638 0 3 FFAF NC(=O)[C@@H]1CCCN([C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 101403010 FBQPVRNOIUERMB-XNWVLMOPSA-N 365.468 2.591 0 1 FFAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nnc(-n3cccn3)s2)CC1 1857611940 FDVRGUKZYCSFRL-ZFWWWQNUSA-N 374.514 2.635 0 1 FFAF O=c1c2c([nH]c3ccccc13)[C@H](c1occc1CO)N(c1ncccn1)C2 1857762368 IGJXYJGPMKMFIA-QGZVFWFLSA-N 360.373 2.513 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1C[C@H]1CCCO1 1355877 PVMTWPRKGONUHR-HUUCEWRRSA-N 366.531 2.903 0 3 FFAF Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCSCC2)cc1 57613897 KVVOJXFKKJUPJS-SFHVURJKSA-N 369.469 2.999 0 3 FFAF COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nnnn32)c1 101699290 DXNMOCVAUYIBSW-MRXNPFEDSA-N 355.398 2.998 0 1 FFAF O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)NC1CCCC1 29320393 OVIUOMBJWHHMKJ-UHFFFAOYSA-N 357.385 2.911 0 1 FFAF CC[C@@H](C)NC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C 21023943 DZNGDZZZFDFMMD-GFCCVEGCSA-N 361.515 2.670 0 1 FFAF NC(=O)[C@@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127732 LQRQDIIPLDMQEU-KRWDZBQOSA-N 366.446 2.735 0 1 FFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC[C@H]1CCCN1C 82070777 PHDRXXVLXZPAJN-DZGCQCFKSA-N 373.478 2.566 0 1 FFAF CCC(C)(C)C(=O)C(=O)N[C@H](C(=O)OCCCc1cccnc1)C(C)C 40567179 MJTUFQROQRZJQC-INIZCTEOSA-N 362.470 2.704 0 1 FFAF COc1cc(-n2nnnc2-c2ccc(C(C)=O)cc2)cc(OC)c1OC 82155386 CRACXXDPIPFFDF-UHFFFAOYSA-N 354.366 2.558 0 1 FFAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1Cc1cccnc1 95569764 RTRWTCMYJYSZCH-FQEVSTJZSA-N 362.437 2.712 0 3 FFAF COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C[C@H](C)O)CC3 238743511 CPJQTONOKGWFSY-FZMZJTMJSA-N 371.433 2.618 0 1 FFAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 96917033 FXGQQWNPCXEEJJ-OAHLLOKOSA-N 368.867 2.766 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)c(O)c2C[C@H]1O 33848446 WVDHMECABMUKJU-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF biogenic CCN(CC)C(=O)CSc1nc2cc(C)nc-2c(O)n1Cc1ccco1 299850422 DURZERSMQHCTKJ-UHFFFAOYSA-N 374.466 2.999 0 1 FFAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](O)C(=O)c1ccccc12 587533973 SZMBQNAJKYHUMY-DENIHFKCSA-N 362.381 2.552 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)cc4c1OCOC4)[C@@H](C2)C3=O 587454838 YWEWOTYOGDCLGD-ORAYPTAESA-N 368.341 2.749 0 1 FFAF CCS(=O)(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587850849 SRLHESCYSYKOQM-OTYXRUKQSA-N 364.280 2.772 0 1 FFAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587235851 QQIYJGJDKCLXNN-HUUCEWRRSA-N 365.389 2.991 0 1 FFAF COc1ccc(C)cc1NCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587228935 KPTRVICKKRNOBJ-UHFFFAOYSA-N 374.466 2.572 0 1 FFAF COC(=O)c1cc2nc([C@H](N)C3COC3)[nH]c2c(F)c1Nc1ccccc1 587255921 VCEJNPFKXMBEDB-OAHLLOKOSA-N 370.384 2.878 0 1 FFAF C[C@]1(C[C@H](O)c2ccccn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963240921 ZZAWSAPCZGYZBZ-IRFCIJBXSA-N 363.417 2.568 0 1 FFAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2ncccc21 963526910 PDXQWICSWLUICA-JTSKRJEESA-N 358.397 2.967 0 1 FFAF CNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccc(F)cc3)ncc12 1772625147 XZMSSTPGBOPELL-CQSZACIVSA-N 358.377 2.648 0 1 FFAF CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2CCO)CCCCC1)C1CC1 169329460 IFPICBGYKYRDLD-UHFFFAOYSA-N 368.477 2.887 0 1 FFAF CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC1 916667 GDJSACUUWOMLBT-UHFFFAOYSA-N 360.483 2.900 0 3 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2c1 2356300000 RRMKUBKJUCYIRB-MAUKXSAKSA-N 356.401 2.706 0 1 FFAF Cc1nc(OC(C)C)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247195 OCEDENDWAWLMJA-LIBOCTFXSA-N 350.484 2.908 0 1 FFAF O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccc3[nH]ncc3c2)CC1 28891524 RRMIJFINKILIRL-GOSISDBHSA-N 370.840 2.599 0 1 FFAF CC1=CCC[C@](C)(O)[C@@H](O)CC[C@@](C)(O)C=C2OC(=O)C(C)=C2CC1 2356450633 CJOCJMYRALTVRM-SXLOBPIMSA-N 350.455 2.907 0 1 FFAF COc1cc(NS(=O)(=O)c2cccnc2)ccc1-c1cncnc1C 114028118 YSZYCVQZFCKJQR-UHFFFAOYSA-N 356.407 2.656 0 1 FFAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3N=C(S)N=C(N)[C@@H]32)cc1 64454222 RAZRZXQECDYJLN-HLLBOEOZSA-N 355.419 2.524 0 1 FFAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2O 38147684 OMYDADTZOQJGJY-LJQANCHMSA-N 354.337 2.735 0 1 FFAF COc1cc2c(cc1OC)[C@@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 15148294 ZAVWGRCRKSHIMO-RTBURBONSA-N 355.390 2.676 0 1 FFAF biogenic O=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 72176738 WLUFUEBKMXNSOQ-UHFFFAOYSA-N 370.327 2.762 0 1 FFAF COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2OC)[C@@H]31 138462921 URDXZVLEWZYTSQ-VTFVBRIESA-N 368.477 2.555 0 1 FFAF COCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132477 BFIKXJJAYGHZFG-UHFFFAOYSA-N 354.454 2.900 0 1 FFAF CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O 45357718 KREASJLNBUJKES-UHFFFAOYSA-N 364.405 2.528 0 1 FFAF NC(=O)COc1ccc(Nc2nc(Nc3cccc(O)c3)ncc2F)cc1 299868119 QXAQKNZEZUFWAO-UHFFFAOYSA-N 369.356 2.673 0 1 FFAF CNc1nc(Nc2ccc(-n3cncn3)c(OC)c2)nc(-c2ccccc2)n1 653689405 HZFASAKJYOKIIY-UHFFFAOYSA-N 374.408 2.913 0 1 FFAF O=C1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)CN1Cc1ccc(F)cc1F 587149192 MZPNVLLVQPPWMA-VIFPVBQESA-N 363.755 2.752 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(O)O)N1 587850132 XILPCYHTQYHBAB-GLEZIHRCSA-N 372.259 2.738 0 1 FFAF COc1cncc(N)c1-c1nc2c(I)cccc2[nH]1 587253540 CEOJJIQBAODQRN-UHFFFAOYSA-N 366.162 2.820 0 1 FFAF C[C@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336141 JDZHNIMPCFMEOA-AZUAARDMSA-N 366.348 2.889 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C)c(=O)c2)N1 587775406 RREHIFIIFGTKFB-JDNHERCYSA-N 351.219 2.911 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 586939920 UGOXSJCYKWDLHP-GFCCVEGCSA-N 359.451 2.799 0 1 FFAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C 587761948 RLKMKNRRCWKVCA-XXFAHNHDSA-N 353.235 2.736 0 1 FFAF COc1cccc([C@H]2c3c(cnn3C)CCN2C)c1OCc1ccncc1 963956524 XVTWCKZBKOLYEQ-FQEVSTJZSA-N 364.449 2.980 0 1 FFAF O=C(c1cccc(O)c1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832031 KKQMWWGOOGOCHM-UHFFFAOYSA-N 350.418 2.976 0 1 FFAF CN1C(=O)S/C(=C\c2cc3oc(O)nc3cc2Br)C1=O 1857567010 YLSVMMVXYQVQCV-OQFOIZHKSA-N 355.169 2.962 0 1 FFAF CCN(CC)[P@@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857577713 CUPWFRGLWZHRST-QHCPKHFHSA-N 368.395 2.573 0 1 FFAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356314255 VHYUGQIWISVBRT-MDDYPXFLSA-N 350.499 2.681 0 1 FFAF Cc1nc2ccc(CSC(=S)N3C[C@H](C)O[C@@H](C)C3)cc2c(=O)[nH]1 28334568 OYDIJFQAVWEXQL-QWRGUYRKSA-N 363.508 2.859 0 1 FFAF CC[C@@]12CC[C@@]3(CO)[C@@H](CCC4=C5[C@H](CC4)[C@@H](C(=O)OC)C[C@]531)CN2O 2356518542 UPUSDFICAYQOLV-MWCZKYKFSA-N 361.482 2.908 0 1 FFAF CC=C1[C@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 2356542580 XYYNHAYSLUSRAP-NUATZEMDSA-N 354.450 2.818 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2C[C@H]1O 13383656 FJVQQAWOOLFVQM-QGZVFWFLSA-N 354.358 2.946 0 1 FFAF biogenic CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2ccncc2)C(=O)O1 40828459 WYHSZXXDFKLCGM-ZZODWALSSA-N 361.438 2.903 0 1 FFAF COc1cc(OC)c([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 98085793 VQLFWWDMKWFUJN-WNTFAFMFSA-N 364.438 2.621 0 1 FFAF CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)OC)cc2)n1 473154404 HCZMRLWHKKHZOF-UHFFFAOYSA-N 358.402 2.511 0 1 FFAF Cc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3C)[nH]c2c1-c1ccccn1 653686238 IUYXENSKKWLJDN-UHFFFAOYSA-N 357.377 2.640 0 1 FFAF N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1COC1 587255580 LOQVYQNEUXNOAW-SECBINFHSA-N 350.138 2.990 0 1 FFAF CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587432998 UMWQHNIYWCBQNB-YPAJCOBSSA-N 367.449 2.938 0 1 FFAF FC(F)(F)c1nn(CCc2nc3ncc[nH]c-3n2)cc1Br 587118144 KWTGXBNSPUJREK-UHFFFAOYSA-N 361.125 2.525 0 1 FFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(I)cnc2[nH]1 587961911 HETDWMRBXMNKEQ-JGVFFNPUSA-N 355.179 2.720 0 1 FFAF COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2n1 587039710 IIZLNBKLMXAZKF-NSHDSACASA-N 364.427 2.727 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387601 QJZZYZWRVJNIPM-WLEBTQASSA-N 360.454 2.946 0 1 FFAF Nc1ncnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 586999732 AWRXXLGMEJLYNI-OWOJBTEDSA-N 374.198 2.639 0 1 FFAF C[C@]1(c2ccncc2O)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707130 OKYOFRDLBNQHFD-CZUORRHYSA-N 370.302 2.808 0 1 FFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1C1CCOCC1 963155526 YRTWKUNEDKTBBK-QWHCGFSZSA-N 368.455 2.857 0 1 FFAF CC1=C([C@]2(C)c3cccc(Br)c3CCN2C)CN2NC=NC2=N1 963290991 ZJJRHVNONNGUNC-KRWDZBQOSA-N 374.286 2.644 0 1 FFAF O=C(O)c1csc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)c1 13600530 OJIHJWGAHZSMIM-UHFFFAOYSA-N 366.402 2.720 0 1 FFAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc[nH]1 13601795 MQRCNHWIJBHISY-GOSISDBHSA-N 362.364 2.699 0 1 FFAF Cc1cccc(C(=O)N[C@]23CCC[C@](NC(=O)c4ccccn4)(CC2)C3)n1 169183340 OCVKYJFCWLTEPM-LEWJYISDSA-N 364.449 2.790 0 1 FFAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCNCC1 169303128 MJNJOXLZGWWHTQ-UHFFFAOYSA-N 373.453 2.867 0 1 FFAF O=S(=O)(NCCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 1895067 HBTXLVFJJMGFRJ-UHFFFAOYSA-N 370.906 2.790 0 1 FFAF O=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 3781351 BDVFAVBKAXMDIW-OALUTQOASA-N 374.396 2.686 0 1 FFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049365 MSLDEDBADXHBHG-ZTNFWEORSA-N 368.433 2.674 0 1 FFAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1cnc(O)nc1C2 102018620 XATGEBFFLWFKNJ-IAQYHMDHSA-N 365.842 2.676 0 1 FFAF Cc1cccc([C@@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)c1 103635750 MGUYOQSOZCRMDK-CQSZACIVSA-N 367.405 2.931 0 1 FFAF COc1cc(CC(=O)OC[C@@H](COC(C)=O)Cc2ccccc2)ccc1O 26737892 IFZONBQBMKGKGC-GOSISDBHSA-N 372.417 2.909 0 1 FFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2ccc(C)c(C)c2OC1 1911581434 XPMINCIZMOXLGM-OAHLLOKOSA-N 364.781 2.645 0 1 FFAF Cc1cccc([C@@H]2CCNC[C@H]2Nc2ccc(C(N)=O)c3ncncc23)c1 143807430 YRFHMPCAMBSNJH-HNAYVOBHSA-N 361.449 2.595 0 1 FFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O 95894997 CVNWYMQYTIAHNN-TUNNFDKTSA-N 370.493 2.798 0 1 FFAF COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653794501 JWOLYFOKKJBVPQ-UHFFFAOYSA-N 353.378 2.513 0 1 FFAF COc1cc(-c2cn(C)c(=O)c3cccnc23)cc(OC)c1CN(C)C 653897526 ZQINLBLOOLHFAT-UHFFFAOYSA-N 353.422 2.679 0 1 FFAF COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422111 CCQZETHWNHOROG-XIKOKIGWSA-N 352.333 2.790 0 1 FFAF Fc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1-n1cccn1 587127801 AXFWJSYFRVRRBO-UHFFFAOYSA-N 370.298 2.930 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587042944 NYGQEFNHFQUTCB-ZCFIWIBFSA-N 355.514 2.550 0 1 FFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 586936387 MEENCGBOQDKYNY-SECBINFHSA-N 365.846 2.750 0 1 FFAF O=C1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2CN1 586990007 TXZKCTIRMNVICL-GXFFZTMASA-N 356.381 2.928 0 1 FFAF CC[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586900100 CQHNUHOZFVRWEZ-HNNXBMFYSA-N 361.423 2.816 0 1 FFAF COC(=O)c1noc(C)c1[C@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634637 LAGQJNXHCCBVTK-DGIBIBHMSA-N 360.410 2.585 0 1 FFAF O=C(NC1CC1)c1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 57436006 CDAYPMLBUVSGOO-UHFFFAOYSA-N 360.417 2.899 0 1 FFAF CCOC(=O)c1cnc(NCCc2ccc(Cl)c(Cl)c2)[nH]c1=O 143598095 LGGGWKMDZYVKQH-UHFFFAOYSA-N 356.209 2.908 0 1 FFAF CCOC(=O)[C@@](O)(c1ccc(/N=c2\ccccn2C)cc1)C(F)(F)F 17722752 ZMIOOEURGBTSBE-YIRPMMGJSA-N 354.328 2.571 0 1 FFAF CC(=O)NCCC[C@H]1OC[C@@H](Oc2ncc(OC(C)C)cc2Cl)CO1 116486024 XIFGKQUBRHFWNX-KOMQPUFPSA-N 372.849 2.559 0 1 FFAF Cc1cc(CNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@H](C)CC4)no1 1857620091 LXQLZSAWRFFLEW-SECBINFHSA-N 371.368 2.580 0 1 FFAF Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CCCC3)c12 6520851 PNWPMBZVPCMJEM-ZDUSSCGKSA-N 373.428 2.640 0 1 FFAF Cc1ccc(NC(=O)CN2C(=O)C[C@@H](C)S(=O)(=O)c3ccccc32)cc1 6806553 WETIPXQHVDXUOH-CQSZACIVSA-N 372.446 2.533 0 3 FFAF Cc1ccc(CNC(=O)c2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 6822387 IALSGCOJEZUWFY-UHFFFAOYSA-N 351.362 2.628 0 1 FFAF COc1cc(O[C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 2356286292 IABRXERCCIPDNL-FEBSWUBLSA-N 374.389 2.854 0 1 FFAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1ccc(F)cc1 29128180 RSSRKCZIBTVIML-UHFFFAOYSA-N 364.336 2.990 0 1 FFAF CCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCO)C1=O 26166944 MCICZGZLJDIJMM-GOSISDBHSA-N 358.825 2.879 0 1 FFAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2CO)c1 2356774105 QXMSVIXIQRDNOM-APWZRJJASA-N 372.373 2.717 0 1 FFAF CN(C(=O)OCc1ccccc1)[C@H](CC(=O)OCc1ccccc1)C(=O)O 2356842387 MNUSUYUWWCICIL-QGZVFWFLSA-N 371.389 2.842 0 1 FFAF COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@@H](C2)NCC3 14639535 QIWWOPQLJARYLV-CYBMUJFWSA-N 357.406 2.837 0 1 FFAF biogenic O=C1COCc2cc(-c3cccc(F)c3)ccc2N1CCN1CCOCC1 74375534 ZUIGGTFTLFFODJ-UHFFFAOYSA-N 370.424 2.688 0 3 FFAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC)N2 82208198 RJKBZAMGDDYFHD-AWEZNQCLSA-N 362.474 2.533 0 1 FFAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CNCCO 40917305 KXWMIMXRSRSFNJ-UHFFFAOYSA-N 357.413 2.660 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@@]21O 95909712 WDTUOLYNVPVKAD-OXPMVUBLSA-N 358.390 2.534 0 1 FFAF biogenic,in-vitro C[C@@H]1C(=O)c2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@H]1C)OCO3 85843929 YQLKOOGRXMGOOT-MKXJDEKUSA-N 354.358 2.848 0 1 FFAF biogenic CN(C)CCCOc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 299858843 HCOMYYWDAFAFSY-UHFFFAOYSA-N 366.469 2.737 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc2cn1 587787966 YJQFZJGUYMZQKY-QWHCGFSZSA-N 351.362 2.688 0 1 FFAF CNS(=O)(=O)N1CCC(c2nc3cccc(C(C)(C)C)c3[nH]2)CC1 586955392 HJRPTJVJXRLRHW-UHFFFAOYSA-N 350.488 2.504 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cnn(C)c1)CC2=O 587477772 UUGTVOGOILSQSC-LJQANCHMSA-N 358.394 2.502 0 1 FFAF Cc1nn(Cc2nc3c(S)nc(S)nc3[nH]2)c(C)c1Br 586979229 UEPLIJOOVSULHC-UHFFFAOYSA-N 371.289 2.554 0 1 FFAF CCOC(=O)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586950473 IAADZNVLTZJAGP-UHFFFAOYSA-N 359.407 2.778 0 1 FFAF CC1(C)OC(=O)C(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)=C1N 587254969 AQTBAFSPZYXXIM-UHFFFAOYSA-N 362.258 2.617 0 1 FFAF COc1cc(N)c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(OC)c1 963038550 ZFSMATRZWRPRMQ-GTJPDFRWSA-N 367.449 2.603 0 1 FFAF CCOC(=O)[C@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962900419 QLXZPLOQIUUZII-FXAWDEMLSA-N 357.381 2.540 0 1 FFAF COc1cccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)c1 1772570796 JCVJJEIKZDAPFJ-UHFFFAOYSA-N 360.377 2.642 0 1 FFAF O=C1CC[C@H](C(=O)N(CCO)Cc2ccccc2)CN1CC1CCCCC1 12753290 NIZNOGZLVQZLJO-FQEVSTJZSA-N 372.509 2.826 0 3 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 13449191 CMEJZCCOTAAGJD-GJZGRUSLSA-N 371.308 2.984 0 1 FFAF COc1ccc(-n2cc(NC(=O)Cn3ccc(-c4ccccn4)n3)cn2)cc1 1857647293 NVRYIJBQUYJOQB-UHFFFAOYSA-N 374.404 2.778 0 1 FFAF C[C@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@H](C)N1CCC(=O)O 58582058 ZXFALDNPMLUADA-HOTGVXAUSA-N 366.465 2.612 0 1 FFAF CCOC(=O)c1ccc(NC(=O)c2cc3cc(O)ccc3oc2=O)cc1 58626605 SOJUTGXZETTYHM-UHFFFAOYSA-N 353.330 2.928 0 1 FFAF COC1(/C(C)=C/C(=O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 27560240 RGZHTQVGYRZDHI-NTCAYCPXSA-N 371.433 2.724 0 1 FFAF CN(C)CCOc1cccc(Nc2nnc(NCc3ccccc3)nn2)c1 58608239 RQPASOUMYXJWQT-UHFFFAOYSA-N 365.441 2.563 0 1 FFAF O=C1NC(/C=C/c2ccc(O)cc2)=C(C(=O)O)[C@@H](c2ccc(O)cc2)N1 103187821 HXSOWEPFHYEQIB-DFIVBLOKSA-N 352.346 2.504 0 1 FFAF CC(C)(C)CC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356387257 NBVWSQGSERBFMY-KGLIPLIRSA-N 372.469 2.876 0 1 FFAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C1CC1)OCO3 25987991 YMLQEUUIRLVQRB-GFCCVEGCSA-N 363.417 2.933 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 101347013 QWLAPSPAFCSTFN-RDJZCZTQSA-N 374.396 2.951 0 1 FFAF CC(C)C1=C[C@H](O)[C@](C)(O)CC[C@H](O)[C@@]2(C)CCC=C(CC1)C(=O)O2 2356470007 KTSWSNYADQZTSZ-RAUXBKROSA-N 352.471 2.638 0 1 FFAF COc1ccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1OC 116674395 XQUGSAKGJPBLML-UHFFFAOYSA-N 356.382 2.806 0 1 FFAF CCC(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102144 QMQUQQHRKGHSDC-LJQANCHMSA-N 360.408 2.835 0 1 FFAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 33650199 OFSXGKOMEGSTSE-NUNROCCHSA-N 364.457 2.901 0 1 FFAF Cn1c(=O)c(Oc2cccc(F)c2)cc2cnc(NC3CCOCC3)nc21 71316548 DTFPTUUNNFBXGC-UHFFFAOYSA-N 370.384 2.851 0 1 FFAF O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1 195414152 KXTMJDDBLNXRRA-QZCPTFHJSA-N 365.408 2.914 0 1 FFAF Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nonc2C)c1 45255877 OMTKAZXXXFMWEA-INIZCTEOSA-N 351.410 2.988 0 1 FFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](F)c2cc3ccccc3nc2-1 40873231 LAFCFALJAUPGOM-PXNSSMCTSA-N 366.348 2.548 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc(-c4ccon4)n3n2)c1 299827497 GANROOZHEAMCAB-UHFFFAOYSA-N 355.379 2.948 0 1 FFAF COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1N 473128372 ZGCVIOKBSBFQDN-LBPRGKRZSA-N 373.405 2.737 0 1 FFAF Cn1c(C(N)=O)cc2c(-c3ccc(NC(=O)c4ccccc4)cc3)ncnc21 653850087 LUDJZXVDDBSMKD-UHFFFAOYSA-N 371.400 2.987 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775263 QGLMMINBFOPVKD-IYQDAUBNSA-N 368.206 2.721 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)nc(S)n2)N1 587842107 DCLVMSFYCKPBCJ-IYQDAUBNSA-N 370.247 2.996 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(C(=O)O)N1 587825838 FTPKEAYWIUWNEE-AYVTZFPOSA-N 374.206 2.657 0 1 FFAF C[C@@H](F)[C@@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587123889 KSAKOWKBHCBNJY-NQXXGFSBSA-N 354.554 2.574 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@@]21CCCC(Cl)(Cl)C1(O)O 963269161 FXVWNXUKQNNMBL-ZDUSSCGKSA-N 366.672 2.728 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc5c(cc4O)OCO5)OC[C@H]23)ccc1O 14658150 OBBPXKPMHFTNDB-ISZNXKAUSA-N 372.373 2.910 0 1 FFAF COc1ccc(NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 169687306 HOFGJNIUBPELBO-RIFZZMRRSA-N 352.390 2.662 0 3 FFAF NC1=C(c2nn[nH]n2)[C@@H](c2cccc(O)c2)c2c(ccc3ccccc23)O1 1857568801 HXLFCNPWJJFURO-INIZCTEOSA-N 357.373 2.910 0 1 FFAF COC(=O)c1cc(C(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1OC 1857605174 MNCBZCDTDPFVLT-UHFFFAOYSA-N 358.346 2.508 0 1 FFAF C[C@@]1(C(=O)NC[C@@H](O)c2ccccc2)CON=C1c1ccc(Cl)cc1 769247 VXQWCORDABPOGV-VQIMIIECSA-N 358.825 2.930 0 1 FFAF CC1=C(C(=O)N2CCCC2)C2(CCN(Cc3ccccc3)CC2)OC1=O 57994818 VBLUNVKWAZNGKL-UHFFFAOYSA-N 354.450 2.517 0 1 FFAF CCNC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br 61924028 WPRMWVXAEZDTPZ-CQDKDKBSSA-N 368.275 2.787 0 3 FFAF O=C(c1ccc(CN2CCC(F)CC2)cc1)N1CCN(C2CCC2)CC1 116208839 UCZVLCSIDIEIFR-UHFFFAOYSA-N 359.489 2.931 0 1 FFAF COc1cc2c(cc1O)CCN1[C@H](O)c3c(ccc(OC)c3OC)C[C@H]21 2356723981 YNIYQDHOXRDOPB-JLTOFOAXSA-N 357.406 2.564 0 1 FFAF CC1(C)CCC[C@@]23[C@H](O)O[C@@](C)(CC[C@H]12)[C@@H]3CCC1=CC(=O)O[C@@H]1O 2356807427 WINVMGUEZGASDH-JSCYKUKESA-N 350.455 2.898 0 1 FFAF Oc1cccc(-c2cc(Oc3cccnc3)nc(N3CCOCC3)n2)c1 64573286 ZOSUPDOYOBKJNC-UHFFFAOYSA-N 350.378 2.873 0 1 FFAF O=C(O)CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 40835502 YOLHYLSTDAGJHM-OAHLLOKOSA-N 358.785 2.836 0 1 FFAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccccc3)c(=O)n21 82211571 BXEGTZUADJFPIV-CQSZACIVSA-N 356.470 2.893 0 1 FFAF CCNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 96934530 LNYDJYIBMQGIIA-UHFFFAOYSA-N 363.343 2.835 0 1 FFAF CC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337529 PVCRLNHFPUVQJD-GGPKGHCWSA-N 355.365 2.928 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2nc(Br)ccc2[nH]1 586967409 WDAKPRBINUXHQH-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF COc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587164193 OPCWWWOQMGGFDS-UHFFFAOYSA-N 352.369 2.989 0 1 FFAF COC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797846 XTPQKVVYBMUFHC-RFAUZJTJSA-N 360.223 2.527 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969385 DZUNGCYVRTZGKF-JQIWTSOSSA-N 356.800 2.669 0 1 FFAF NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2N)cc1Nc1cccc2c1OCO2 1772570125 TVQFNDFRRSORCP-GJZGRUSLSA-N 368.437 2.940 0 1 FFAF Cc1nnc(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc1O 13637272 KJKHBRAIWVBQQD-UHFFFAOYSA-N 361.452 2.767 0 3 FFAF O=C(O)CCNC(=O)[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1 165631626 RMZNFEBJRAJZFT-QGZVFWFLSA-N 355.390 2.578 0 1 FFAF O=S1(=O)C[C@H](NCCOc2cc(F)ccc2Cl)c2ccccc21 1857538617 JMAUWUFFXWPTFE-AWEZNQCLSA-N 355.818 2.976 0 1 FFAF COC(=O)[C@H](c1ccccc1Cl)N1CC[C@H](SO)/C(=C\C(=O)O)C1 1857582878 DIGXBJARBXPUAT-MXOYHRSNSA-N 371.842 2.846 0 1 FFAF CN(C)CC[C@@](O)(c1ccccc1)[C@@](O)(CCN(C)C)c1ccccc1 1629519 HYNGDQGXSYCJPT-FGZHOGPDSA-N 356.510 2.665 0 1 FFAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4050095 HINPPJLMUWIPCL-UYAOXDASSA-N 368.433 2.940 0 1 FFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCOC 4153360 VIQQNXGYXJGVEN-IEBWSBKVSA-N 372.421 2.923 0 1 FFAF CCc1nn([C@@H](CC)C(=O)NC2CCCC2)c(=O)c2cc3occc3n12 6807511 ISRGVXFLFPIQMV-ZDUSSCGKSA-N 356.426 2.815 0 1 FFAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)cn1 2356302311 RHUGYRXXQHNTDP-RHSMWYFYSA-N 357.385 2.971 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)cn1 2356302312 RHUGYRXXQHNTDP-WMLDXEAASA-N 357.385 2.971 0 1 FFAF CNC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2Cl)C2=C(COC2=O)C1 28127095 KOXAFXLUAWCQLZ-CYBMUJFWSA-N 368.216 2.981 0 1 FFAF C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C1CC1)OCO3 25987999 YMLQEUUIRLVQRB-LBPRGKRZSA-N 363.417 2.933 0 1 FFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@@H](CC3)[C@H](CO)C[C@]41CN(C)C2 2356538882 ULAUSBPEMLEEMK-BLQWBTBKSA-N 363.542 2.577 0 1 FFAF NC(=O)c1nn(-c2ccccc2)c2c1CCc1cnc(NC3CCCC3)nc1-2 45356632 BNBOPMICSCGSGW-UHFFFAOYSA-N 374.448 2.881 0 1 FFAF F[C@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84670362 UUFSQJFGDUISMZ-AWEZNQCLSA-N 353.511 2.931 0 1 FFAF O=C(OCCO)c1c(C2=CCCCC2)oc2c1[C@H](OCCO)CCC2 96020766 SOXAFNXEDJSSFQ-CQSZACIVSA-N 350.411 2.772 0 3 FFAF CC1=CC(=O)N(Nc2ncc(-c3coc(C)n3)c(-c3cccs3)n2)C1=O 299837552 RHBTWDFORLRVLM-UHFFFAOYSA-N 367.390 2.811 0 1 FFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586961069 FKLCFNKNWGROHM-QMMMGPOBSA-N 371.401 2.819 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(N)=O)CC2)N1 587744543 CCSPBCYQRQPWBM-PWGATLRDSA-N 355.251 2.993 0 1 FFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 586941290 RUURGPBYIHRJAV-MDZDMXLPSA-N 371.418 2.660 0 1 FFAF Cn1nnc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C(F)F 587128168 HAFOJWWSLHNBHV-UHFFFAOYSA-N 372.129 2.757 0 1 FFAF COC(=O)[C@@H]1CSC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587855950 HKPMUUFOBQENHG-CYBUAMNDSA-N 374.275 2.854 0 1 FFAF N=C(N)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148711 KHLHPCYBXGSTCN-LBPRGKRZSA-N 369.375 2.641 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3C1=O)O2 587392686 VRKRENIBPDQYRW-FQEVSTJZSA-N 350.374 2.597 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(=O)OCC)CC2=O 587477693 FAMZSYGIENADDQ-IBGZPJMESA-N 364.394 2.565 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962951855 VBMVQOCXHJICRN-BONVTDFDSA-N 354.410 2.787 0 1 FFAF NC(=O)c1ccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc1 1772606283 VZQXCNCAABMXKN-UHFFFAOYSA-N 373.416 2.741 0 1 FFAF CCNC(=O)Nc1cc(Br)c(-c2cncc(C(=O)O)c2)cn1 169313074 RZRBUMJCRYAUJG-UHFFFAOYSA-N 365.187 2.746 0 1 FFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2s1 1857771641 BIMVZOFOEKGJNN-AWEZNQCLSA-N 357.435 2.848 0 1 FFAF COc1ccccc1CN1C[C@@H](F)[C@H](OCc2nc3cnccc3[nH]2)C1 2356302379 TZBNMUXUIASPAN-RDTXWAMCSA-N 356.401 2.706 0 1 FFAF CCCCCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 22472650 UOBCRQWPDXYEKE-RELWKKBWSA-N 371.481 2.764 0 1 FFAF CC(C)CC(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1 25968413 JYSZKROENALEDO-QGZVFWFLSA-N 360.454 2.554 0 1 FFAF CC(C)C=Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1O)O2 2356725245 AWVLLCIFSAKNJE-VQTJNVASSA-N 372.373 2.856 0 1 FFAF O=C1OC[C@@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@@H]12)OCO4 1647415 SCTKDFCQZSBHEE-RQUSPXKASA-N 352.342 2.621 0 1 FFAF biogenic CN1C[C@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CCC1=O 71317270 BNPTZRKICZEZPR-NSAZKJPHSA-N 370.493 2.534 0 1 FFAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@H]2O 137015471 KARPJTLGVFQYJV-SVSHOCRUSA-N 358.434 2.901 0 1 FFAF CO[C@@]12CC3=CC[C@H](O)[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C1=C(C)C(=O)O2 86010446 MPELOFVGISVYRW-BVJZUCDQSA-N 364.438 2.507 0 1 FFAF O=C(NC1(c2nccs2)COC1)c1cc(OCC2CC2)c(Cl)cn1 149221049 VVNQKXPYJXPSBU-UHFFFAOYSA-N 365.842 2.636 0 1 FFAF C[C@@H]1c2cc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)ccc2C(=O)N1C 145935399 VLKCCKQSDNGREY-ZJTXEKFPSA-N 369.471 2.907 0 1 FFAF O=C(NCCc1c[nH]cn1)c1ccnc2[nH]c(-c3ccc(Cl)cc3)nc12 145107702 URKXGOWCAYELIQ-UHFFFAOYSA-N 366.812 2.974 0 1 FFAF C[C@H]1c2[nH]c3cc(Br)ccc3c2C[C@@H]2C(=O)N(C)C(=S)N12 95590882 ZTFVNGCFRBPMEU-JVXZTZIISA-N 364.268 2.975 0 1 FFAF CC1(C)Oc2c(-c3coc4cc(O)cc(O)c4c3=O)ccc(O)c2C[C@H]1O 238754749 YSTZMKPKTYYKLN-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(C(F)(F)F)nc4)ccc3N12 95580738 VLKXYWCKNMSYLJ-JSGCOSHPSA-N 366.295 2.846 0 1 FFAF CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3F)ccc2O)C1 621477628 QZBFMJJKARCLRW-ZDUSSCGKSA-N 374.387 2.936 0 1 FFAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 586996429 POUHPEMLUWHWLS-UHFFFAOYSA-N 364.203 2.548 0 1 FFAF COC(=O)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587043437 ZMMZMRXBMOXFLE-HZPDHXFCSA-N 354.435 2.691 0 1 FFAF CC(=O)N(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O 587744398 ZNNKALZBCOPMCP-XXFAHNHDSA-N 371.250 2.733 0 1 FFAF COC(=O)c1c(-c2cnn(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622902 JHHMTRTUVRPUBL-UHFFFAOYSA-N 374.198 2.994 0 1 FFAF O=C1CSC[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)N1 587042224 BCYXURWDYNDUER-SSDOTTSWSA-N 352.288 2.516 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc12 587244835 LNVJMCZACSVKQE-UHFFFAOYSA-N 353.382 2.791 0 1 FFAF CCOC(=O)c1n[nH]cc1[C@H]1c2cccc(Br)c2CCN1C 963288569 DQERJDREGMRWDD-OAHLLOKOSA-N 364.243 2.926 0 1 FFAF COCCOc1ccccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963014763 AHDDETRPUWBSJQ-QKKBWIMNSA-N 352.434 2.855 0 1 FFAF O=C(c1ccccc1N=c1cc[nH]cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 1772585645 GVWAPSQSOLUBAI-QGZVFWFLSA-N 374.448 2.803 0 1 FFAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)c1 5007086 RCTPQRLRNLGKTF-UHFFFAOYSA-N 357.435 2.783 0 3 FFAF COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)cc1 12706219 PCMIHVHYLHCSMN-SPLQCWDRSA-N 366.417 2.981 0 1 FFAF C[C@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 13589651 XWTIFODTRQWBGM-AWEZNQCLSA-N 360.421 2.729 0 1 FFAF Cc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)n2)c1 169710066 HWKAPMIRTDYTGK-UHFFFAOYSA-N 360.421 2.577 0 1 FFAF COC(=O)NC(=O)N[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1642937 ODHFFXDSSPLSPN-MRXNPFEDSA-N 371.393 2.547 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cn1 2356299170 ALAZZMSHVNDUSS-MAUKXSAKSA-N 370.428 2.716 0 1 FFAF Cc1cc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)no1 103917522 HODOWLNMQXZMHQ-VBKFSLOCSA-N 368.422 2.545 0 3 FFAF COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 101099997 SQNVBHQZGNPWIE-ONERCXAPSA-N 362.813 2.540 0 1 FFAF O=C([C@H]1C[C@@H]1c1ccc(-c2cncnc2)cc1)N1CCN(C2CCC2)CC1 59050741 LBBNKTXKCLISAN-RTWAWAEBSA-N 362.477 2.944 0 1 FFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(-c2ncccn2)n1 117732646 RGUOCWNIRSTUBQ-OAHLLOKOSA-N 367.434 2.513 0 1 FFAF CCNC(=O)Nc1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 28362277 MQUCNKFTZYFYQJ-UHFFFAOYSA-N 370.453 2.684 0 1 FFAF CC(=O)N1CC[C@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]21 4278022 CVRIVDAUUGHHAY-MSOLQXFVSA-N 365.389 2.525 0 1 FFAF biogenic N[C@@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@H]12 6093959 INCNNKYUDFBEIB-RISCZKNCSA-N 354.273 2.793 0 1 FFAF biogenic COc1cccc(CNC(=O)c2cn(C)c3nc(-c4cn[nH]c4)ccc23)c1 73195799 XSFGUNMNRRRFQQ-UHFFFAOYSA-N 361.405 2.902 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC[C@H]4CCOC4)ncc23)ccn1 219756723 YEEUJKOGKFFFRY-ZDUSSCGKSA-N 366.425 2.876 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccncc1 49036483 SLRTUQXBTOKZDJ-LSDHHAIUSA-N 368.824 2.518 0 1 FFAF CCOC[C@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]3(C)CNC(=N)NC 85549059 OFXXABHJXYDTNN-FZIGSOAOSA-N 363.502 2.610 0 1 FFAF biogenic,in-vitro Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCc3ccco3)co2)cc1 82070478 NLWQSVFGVRHMRB-ZDUSSCGKSA-N 353.378 2.678 0 1 FFAF O=C1N[C@@H](c2ccccc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45254470 NZVFNEJFUHOFKP-WMZOPIPTSA-N 360.417 2.721 0 1 FFAF O=C(NCCc1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49047682 PLSMNDIPRTXABY-UHFFFAOYSA-N 355.277 2.886 0 1 FFAF C[C@@H]1c2nnn(-c3cnccn3)c2CCN1C(=O)c1ccc(Cl)cc1F 226010135 SOGYWUYAUACTLS-SNVBAGLBSA-N 372.791 2.609 0 1 FFAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCC1)Nc1ccccc1 43526992 ZWFRJVDUCDXHKM-ZIFCJYIRSA-N 358.555 2.779 0 1 FFAF biogenic COc1ccc(OC)c(Sc2ccc3nnc([C@H]4CCOC4)n3n2)c1 299833968 SGWNMURRZGGZDG-NSHDSACASA-N 358.423 2.797 0 1 FFAF CCOC(=O)[C@H](C(=O)NCCc1ccccc1)N1C=Cc2ccccc2C1 299864911 SCNZCKSGTXMFEG-FQEVSTJZSA-N 364.445 2.764 0 1 FFAF N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(OC(F)(F)F)ccc12 653792948 RQARRAKSVNUQTE-UHFFFAOYSA-N 373.298 2.584 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(O)CC4)o1)[C@@H](C2)C3=O 587441818 HMGKRZLYEHMQOF-XOBRGWDASA-N 355.390 2.738 0 1 FFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)n1 587080050 QFYFPZGBDJKWSM-MRVPVSSYSA-N 353.835 2.698 0 1 FFAF Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)n1 587648712 FZUMYMGQHYOLDF-UHFFFAOYSA-N 371.340 2.555 0 1 FFAF CN1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598145 WKEWIHZREIWMRZ-PKEAVRCTSA-N 367.401 2.586 0 1 FFAF CC[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598462 XTSPTYSXWINZPB-WYAVIUHXSA-N 353.374 2.639 0 1 FFAF Cn1ncnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344106 VWZDABHBWJJQIN-LPHOPBHVSA-N 353.353 2.934 0 1 FFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1C1CCOCC1 963155527 YRTWKUNEDKTBBK-STQMWFEESA-N 368.455 2.857 0 1 FFAF CC(C)C(=O)c1c(O)cc(O)c(C[C@H]2[C@H](C(C)(C)O)CC[C@@]2(C)O)c1O 1772583141 MHKJKOPXXXOJRB-MTJIALIYSA-N 366.454 2.733 0 1 FFAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CCCO2)C(=O)O)cc1 13442214 QCSCWVKEGWWYHS-PKOBYXMFSA-N 369.417 2.653 0 1 FFAF O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NOCc1ccccc1 1857554127 JOZUPDSROOIOGB-WJDWOHSUSA-N 368.414 2.971 0 1 FFAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(F)cc1)C(=O)O 13758249 IYXFYPRHMREYMA-KRWDZBQOSA-N 358.431 2.952 0 1 FFAF CO[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 1490017 YQXCPFLBMFHCCM-SFHVURJKSA-N 370.405 2.985 0 1 FFAF N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)=C(O)O 100388550 JFDHYIOPTBSRBC-MRXNPFEDSA-N 351.406 2.682 0 1 FFAF endogenous,in-vitro CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C2)O3 101095658 CTKDNRAPWIIIPH-GBZNZVFASA-N 365.857 2.890 0 1 FFAF Cc1nn(C)c(NC(=O)C(C)(C)N2CCCC2)c1C(=O)c1ccccc1F 29342242 IFKMJOCRMLYXGU-UHFFFAOYSA-N 372.444 2.912 0 1 FFAF CC[C@H]1C[C@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103216397 VYJIHRXBVYCXJP-JSGCOSHPSA-N 354.838 2.995 0 1 FFAF COc1nc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1C 113422448 UQWDRPUQGPNHEE-UHFFFAOYSA-N 362.437 2.935 0 1 FFAF O=C(c1ccc(NC(=O)C(O)(C(F)F)C(F)F)cc1)c1ccccn1 26655494 UFDXCRVMBHRDSQ-UHFFFAOYSA-N 356.275 2.512 0 1 FFAF CC[C@]12C=CCN3C[C@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 2356513444 ZPFAJIIDARZSTK-KVJIRVJXSA-N 366.461 2.846 0 1 FFAF C/C=C/CC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O 40430435 YEWKKVDDJYHYSQ-HHWOXWDCSA-N 353.459 2.903 0 1 FFAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@H](CC)N2 82207769 BKCSAXVBDKIBOM-HNNXBMFYSA-N 372.469 2.635 0 1 FFAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40380083 NMMBOAVVJDOKHT-RUEYPURISA-N 352.814 2.991 0 1 FFAF CCCCn1c(-c2ccccc2Cl)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95588510 BTQRVKVBNPVBAC-UHFFFAOYSA-N 371.828 2.797 0 1 FFAF CC[C@H]1CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2C[C@H]1C3=Nc2ccccc21 238771777 BMRYZKSXVDMCAO-UCRYJBCNSA-N 354.450 2.511 0 1 FFAF COC(=O)c1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC 587936529 USDBPYTTZADVPD-UHFFFAOYSA-N 358.394 2.837 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586879781 NMSZSABCCKQIFK-JXMROGBWSA-N 371.418 2.578 0 1 FFAF Fc1cc2c(c(Cc3nc4c(S)nc(S)nc4[nH]3)c1)OCOC2 587172196 ZAHNKVSTCZNFNR-UHFFFAOYSA-N 350.400 2.527 0 1 FFAF COc1cc2c3c(c1)OC1(CC(C(=O)O)(c4ccccc4)C1)[C@@H](C2)C3=O 587449900 JZXBVSPXHGPKCZ-VUZGARFFSA-N 350.370 2.998 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCOCC4)o1)[C@@H](C2)C3=O 587445953 ZNCQDIXTOZLORN-YWZLYKJASA-N 355.390 2.609 0 1 FFAF Cc1c(O)ccc2c1[C@](c1ccc(N)cc1)(C1CCC1)N[C@H](C(=O)O)C2 963558091 ZQAYWOXXGCHOQO-LAUBAEHRSA-N 352.434 2.925 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](CN)(c1ccccc1Br)NCC2 962918328 IFAJRZDBMFCCPF-QGZVFWFLSA-N 363.303 2.654 0 1 FFAF COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](O)CC/C=C\2 169727617 SGAPQINNJDWPIZ-DHBVKFRCSA-N 350.411 2.645 0 1 FFAF CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)C1 766866 LJQHBKRUOXTBSL-AWEZNQCLSA-N 371.485 2.526 0 1 FFAF Cn1cc2c(n1)C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 102024879 BABOQEGKYAFVTC-MLGOLLRUSA-N 351.859 2.914 0 1 FFAF Cc1ccccc1C(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 20556561 VXFBDPIDNICQBY-UHFFFAOYSA-N 365.408 2.686 0 1 FFAF CCOc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116828285 SVJABYULFNNZDM-IAGOWNOFSA-N 366.465 2.701 0 1 FFAF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC[C@@]14C[C@@H](CC[C@]13C)[C@](O)(CO)C4)OC2=O 2356725109 JAKLTKSIKSMOEM-ZOCKGRCPSA-N 364.482 2.632 0 1 FFAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](CC)N3)cc1 82227997 WRYOXHMSUHZJRN-OAHLLOKOSA-N 372.469 2.806 0 1 FFAF COc1ccccc1NCCS(=O)(=O)c1nonc1-c1ccccc1 40845916 MCSGFBVBLLPNRG-UHFFFAOYSA-N 359.407 2.631 0 1 FFAF Cc1nc(N)nc(N)c1OCCCOc1ccccc1Br 45194281 DVAGKTAOBZUFHC-UHFFFAOYSA-N 353.220 2.560 0 1 FFAF CC(C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12 84711418 YXOKILZLIFCMCV-UHFFFAOYSA-N 362.842 2.821 0 1 FFAF CCCN(CCO)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45245602 FWCKJOIOUMRSPM-UHFFFAOYSA-N 369.469 2.958 0 1 FFAF Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cs1 145056231 RCBCRQRDSRHINM-CHWSQXEVSA-N 371.466 2.897 0 1 FFAF CCOC(=O)N1CCC(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 95588786 BPIMWCPHYBQONW-SFHVURJKSA-N 371.481 2.519 0 1 FFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12 143076033 XQQSAQSHEVFKOP-INIZCTEOSA-N 358.348 2.754 0 1 FFAF CC[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1N[C@@H]2[C@@H](OC)c2c1n(C)c1ccccc21 238735111 NFQGHFVKAWWVOM-YMIISZBISA-N 356.466 2.890 0 1 FFAF CC(=O)N(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O 587744395 ZNNKALZBCOPMCP-ABKXIKBNSA-N 371.250 2.733 0 1 FFAF COC(=O)c1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cn1 586982852 QYLKDGMTRBWGIJ-UHFFFAOYSA-N 360.167 2.987 0 1 FFAF Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Cl 587652205 YFVDIGMWPNOBLP-UHFFFAOYSA-N 351.193 2.857 0 1 FFAF Cc1c(-c2nc3cc(C(N)=O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029654 RJJOTFLIFNIWHN-UHFFFAOYSA-N 365.418 2.812 0 1 FFAF COCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661735 SPPFYFJIWVQORM-UHFFFAOYSA-N 357.410 2.572 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O 587440044 NMXRHNSSUDIZOX-RNODOKPDSA-N 351.358 2.689 0 1 FFAF Cc1cc(-c2nc3c(O)nccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123340 CZEZMVAAOSRYOK-UHFFFAOYSA-N 372.328 2.900 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587771185 FQCJYBPWGHYEIO-XPZRHXQJSA-N 369.278 2.811 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccc(F)cc41)[C@@H](C2)C3=O 587426372 CSTIRIUCLMEJAR-IFXJQAMLSA-N 374.389 2.655 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2nc(Cl)c[nH]c-2n1)C[C@@H]1CCCO1 587198144 ZOKSWAZSIWWAEI-JTQLQIEISA-N 367.837 2.874 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587108358 JRKNCACODZBKSQ-UHFFFAOYSA-N 370.356 2.894 0 1 FFAF COc1ccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1CO 963029076 MWCRLZVBZGQDRG-YEJXKQKISA-N 352.434 2.504 0 1 FFAF CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2O)CC3=O)O1 13379882 JXVOAHGNNBAJCD-ZWKOTPCHSA-N 356.374 2.879 0 1 FFAF biogenic,in-vitro CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(/O)OC)C(C)=N2 13750307 SUYFXQWRRZSUPU-COOUDCDJSA-N 358.423 2.931 0 1 FFAF C[C@@H]1c2cc(-c3ccc(C=C4NC(=S)NC4=O)s3)ccc2C(=O)N1C 1857742574 VLKCCKQSDNGREY-SECBINFHSA-N 369.471 2.907 0 1 FFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302623 FPIIAJYCKSHSKV-HUUCEWRRSA-N 372.469 2.945 0 1 FFAF CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CC1 103282378 CWZYCFCOCREQRX-UHFFFAOYSA-N 355.438 2.567 0 1 FFAF COc1ccc(-c2c(C)nn3c(O)cc(CCc4cc(O)no4)nc23)cc1 103525955 LXQUAILJQOYHFI-UHFFFAOYSA-N 366.377 2.898 0 1 FFAF CC=C1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1cc(OC)ccc14 2356559226 AWDINAQEZMNGBT-AVBTWRTFSA-N 352.434 2.840 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@H](OC(C)=O)C(C)=CCC1 2356600410 KUOMJFRFJMUJKK-QTXLCTLRSA-N 350.411 2.716 0 1 FFAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@H]1[C@H](C)[C@@](O)(CC)O[C@@H](CC)[C@H]1C 2356704934 NPCODZUACZMXSK-GVPGXHGOSA-N 372.502 2.690 0 1 FFAF COC(=O)[C@@H]1[C@H](O)CC[C@H]2CN3C=Cc4c([nH]c5ccccc45)[C]3C[C@@H]12 2356824370 AHBMMSMODVSWLF-PNYIKSMMSA-N 351.426 2.914 0 1 FFAF O=C(O)/C=C/c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 29308499 ZPRQEMGTRXGZPE-JXMROGBWSA-N 364.405 2.798 0 1 FFAF CC[C@H]1CCc2cc(N)cc(-c3nc4c(c(C)nn4CC)c(=O)[nH]3)c2O1 45322477 FTPSXNQITGFFEU-ZDUSSCGKSA-N 353.426 2.801 0 1 FFAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]2(O)[C@@H](O)CC[C@H](C)[C@@]12C 138800674 OVZYDQPLJDOTDE-IFVLMOTPSA-N 362.422 2.863 0 1 FFAF C[C@@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 222365782 HLPARXMUJBJYFM-JTQLQIEISA-N 365.437 2.943 0 1 FFAF NC1=N[C@]2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 149359734 UWKRYKVCCZEOQP-CQSZACIVSA-N 359.170 2.797 0 1 FFAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 587369089 UJYMPARRKXECRF-ZDUSSCGKSA-N 373.796 2.979 0 1 FFAF COC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440008 NFAXXAATJOKCSX-FOIQADDNSA-N 354.358 2.736 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)n2)N1 587744672 HXWMLAFJVFICLA-VXJOIVPMSA-N 351.223 2.588 0 1 FFAF COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1OC 587223752 FTHJWECAVCPMSH-GFCCVEGCSA-N 355.394 2.664 0 1 FFAF OCc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117151 AHBOGYYPJFIFPX-UHFFFAOYSA-N 363.299 2.974 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCN1C(=O)c3ccccc3C1=O)O2 587389849 DDKWHPWRDNAUJC-NRFANRHFSA-N 364.401 2.987 0 1 FFAF Oc1nc(S)nc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587077702 YIXRKIQONDBDFF-UHFFFAOYSA-N 374.813 2.836 0 1 FFAF O=C(O)CCN(CCc1nc2ccc(C(=O)O)cc2[nH]1)Cc1ccccc1 587193891 VDFIMLLEGZPDBV-UHFFFAOYSA-N 367.405 2.781 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587829601 RIBLMGQTZHXXRB-SHFJIFDESA-N 366.230 2.914 0 1 FFAF C[C@@]1(c2csnn2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698859 CZFPGWHTXGEBDH-ZWNOBZJWSA-N 361.320 2.558 0 1 FFAF CCOC(=O)c1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](C)N2)cc1 1772641250 GXCPKNSGURSTHC-LBPRGKRZSA-N 362.389 2.764 0 1 FFAF Cc1nnsc1C(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 12439926 BKAVOFLWLVAYLP-UHFFFAOYSA-N 365.886 2.957 0 3 FFAF CC(C)c1cccc(C(=O)O)c1CCCn1cnc2c1NC=NC[C@@H]2O 13807502 WCWQUDJXNHTWQN-INIZCTEOSA-N 356.426 2.825 0 1 FFAF CC(C)CC(=O)NC(=O)c1c[nH]c(C=CCCC=CC=CC(=O)O)cc1=O 2356426734 IBYSWVIXXYFGCG-UHFFFAOYSA-N 372.421 2.668 0 1 FFAF COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccn3)c2C(=O)O)cc1 2356301949 ILVAHEAMNFCQPU-NSHDSACASA-N 367.361 2.934 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4C)C[C@H]3C2)n1 116822556 PVMOBCZNGPEPLG-IYBDPMFKSA-N 354.429 2.749 0 1 FFAF CC(=O)c1ccccc1NC1=NS(=O)(=O)c2cc(Cl)cc(O)c2N1 28822737 CBLHBDWAZBPMGA-UHFFFAOYSA-N 365.798 2.831 0 1 FFAF Cc1cc(C)c2oc(=O)cc(CN3CCN(C4=CC=C[CH]N4)CC3)c2c1 2356858709 RQFDADKEAJHOTH-UHFFFAOYSA-N 350.442 2.690 0 1 FFAF Cc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnc3ncnn23)cc1 45496845 ORPJSAKTGAZMQJ-UHFFFAOYSA-N 350.403 2.933 0 1 FFAF Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 74378092 VQGVUJRERCSHCA-JKSUJKDBSA-N 360.410 2.558 0 3 FFAF CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccnc3)n2)cc1 40917708 LSFPVEDOQSEMPP-UHFFFAOYSA-N 365.393 2.585 0 1 FFAF CCC1=C[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@@](C(=O)OC)(C2)[C@@H]13 86002211 XWHUQXFERLNWEQ-SNLNFDIBSA-N 352.434 2.637 0 1 FFAF COC(=O)[C@H]1CS[C@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49035765 FVPMMSSRRBTXRI-QZTJIDSGSA-N 364.511 2.818 0 1 FFAF CC(=O)NCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144802964 FSABVZCMXYERTN-QGZVFWFLSA-N 351.324 2.980 0 1 FFAF Nc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1 95576971 AAENIXAZGRAAII-UHFFFAOYSA-N 354.757 2.872 0 1 FFAF CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C=C(C)CCC=C(C)CC[C@H]32)CC1 299809672 MBHDDUWLICMNCR-SLFFLAALSA-N 360.498 2.775 0 1 FFAF CC(=O)CN1C(=O)N2CCc3ccccc3[C@@]2(c2ccc(Cl)cc2)C1=O 68571996 WEVNVPYPNOGBGW-FQEVSTJZSA-N 368.820 2.993 0 1 FFAF biogenic O=c1c2cc3c(cc2ncn1Cc1ccc(Br)cc1)OCO3 653709709 OXWZSIODPXRXOE-UHFFFAOYSA-N 359.179 2.936 0 1 FFAF CCN(CC)c1ccc(-c2nn(C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 587665996 WNNXTENUOFDEFG-CQSZACIVSA-N 367.449 2.996 0 1 FFAF CCOC(=O)c1cc(OCC)n(-c2cc(O)cc(C(=O)O)c2)c1OCC 587926807 OWLQNDIPPMMETG-UHFFFAOYSA-N 363.366 2.855 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)ncnc2[nH]1 587194181 NULHLERXWHLPKX-VIFPVBQESA-N 354.842 2.524 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)n2)N1 587744666 HXWMLAFJVFICLA-ANRSDYALSA-N 351.223 2.588 0 1 FFAF CCOC(=O)Cc1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587248861 AEVKDBZYPKFUJM-UHFFFAOYSA-N 353.378 2.545 0 1 FFAF COc1ccc(Cc2cc3c4c(cccc4n2)CC3)cc1S(N)(=O)=O 587217383 VRUHIWBDYRZRKC-UHFFFAOYSA-N 354.431 2.580 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587432604 XCWHHRIQUDGPDV-QKKBWIMNSA-N 362.385 2.624 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2c(Cl)nccc2[nH]1)C(F)(F)F 587127387 RZYDZJVBSNDYLN-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF O=C(NCc1cccc(Cl)c1)[C@@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957599325 ZDOLJFGQXOZRDI-INIZCTEOSA-N 368.820 2.748 0 1 FFAF C[C@H]1CCCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 223898456 KRLKGZZAWZIALG-HOTGVXAUSA-N 372.490 2.970 0 1 FFAF CC(=O)OC[C@H]1CC=C(C)[C@@H](OC(C)=O)C[C@@H]2[C@@H](C=C1C)OC(=O)[C@@H]2C 1642676736 WANLYNYLUFKLPB-RBPQIDMKSA-N 364.438 2.962 0 1 FFAF Cc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n2ncnc2n1 1772652435 PMUIGVOIIHXIPC-GOSISDBHSA-N 361.449 2.941 0 1 FFAF [C-]#[N+]c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1 1772656989 OYMDFGWYVUHUOA-UHFFFAOYSA-N 357.458 2.764 0 1 FFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC[C@H](O)C1 1772580831 KBARSEOMWUKWBQ-ZDUSSCGKSA-N 361.405 2.703 0 1 FFAF COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 5966825 ZEMPGHLRDGSFGK-VQTJNVASSA-N 371.433 2.964 0 1 FFAF COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C 13746083 SKTOAOYIXAAFCQ-VWLOTQADSA-N 356.451 2.650 0 1 FFAF Cc1cc(N(C)CCN(C)C)n2nc(SCc3ccccc3)nc2n1 1857609615 WESDHKGKCUBDHO-UHFFFAOYSA-N 356.499 2.723 0 1 FFAF O=C(NC(=CC=Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1 1857620859 UUIGXPLOPDTINR-UHFFFAOYSA-N 362.429 2.873 0 1 FFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@H](O)[C@H]1NC(=O)c1nc2ccccc2s1 2356368098 HZUUASWCFWJKDM-IKICRFKJSA-N 368.458 2.612 0 1 FFAF C#CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 2523463 XMXJUSBECRCZTQ-UHFFFAOYSA-N 350.399 2.898 0 1 FFAF CCCN1CCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)CC1 55153381 VQBTTZTXVIRYSH-UHFFFAOYSA-N 367.453 2.549 0 1 FFAF O=C(Nc1nncs1)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 100658285 XQDADCZTRZQWHN-CQSZACIVSA-N 366.377 2.982 0 1 FFAF COC(=O)c1sc2ncnc(Nc3cccnc3O[C@H](C)CN)c2c1C 118816835 ARDYAJXUBPKOEU-SECBINFHSA-N 373.438 2.651 0 1 FFAF CC[C@H](C)[C@H]1CNCCN1CCCc1cc(OC)c(OC)c(OC)c1 22929345 JIUQFBUFVPSWHU-DOTOQJQBSA-N 350.503 2.965 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@@H]1CC=C[C@]23O 2356607604 NCBODEBWXNRTHV-JHSPYMOQSA-N 358.390 2.534 0 1 FFAF CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@@H](N)C2 2356821067 XUFCNOJUQFAYIF-AUCYZEHXSA-N 374.549 2.568 0 1 FFAF CC(C)[C@@H]1O[C@]2(O)C3=C(CCN3C1=O)c1nc3ccccc3c3ccnc2c13 14693402 KIKGCFUXDPHGDY-AVRDEDQJSA-N 373.412 2.940 0 1 FFAF biogenic CCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2n1 221714703 RLTAZJWBDYRQHS-UHFFFAOYSA-N 353.426 2.933 0 1 FFAF O=C1N2CCc3ccccc3[C@H]2CS(=O)(=O)N1CCc1ccccc1 96019129 XZBFAVKQSJESKQ-GOSISDBHSA-N 356.447 2.594 0 3 FFAF C[C@H]1CN(C)C(=O)c2cccc(N)c2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661012 FMTPPIHXNCHISQ-SWLSCSKDSA-N 363.458 2.605 0 1 FFAF NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccccn3)c2)c1 653916357 BNZPGFGBGAMYIQ-BQYQJAHWSA-N 374.400 2.806 0 1 FFAF CC(C)(O)[C@]12O[C@H]1C[C@H]1C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]13C)[C@H]2O 653845463 NAJUFWQBUWZHAM-WGQJCKDNSA-N 350.455 2.503 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 587408796 ITPQIJOSTLRMRG-LJQANCHMSA-N 374.462 2.708 0 1 FFAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cnn(C)c1)CC2=O 587475744 OPMLRYCCOHWNRS-IBGZPJMESA-N 358.394 2.804 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Cl)c2[nH]1 586959938 UCROWDOQBRNJJK-HNNXBMFYSA-N 351.815 2.685 0 1 FFAF CCN=c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587739346 ASHVNPRMGDCDQD-BJOHPYRUSA-N 365.250 2.856 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C(=O)O)ccc21 587482870 JWNKNROGWBUGKN-HXUWFJFHSA-N 367.357 2.856 0 1 FFAF CN1C(=O)C[C@H]2CN[C@](Cn3ccnc3)(c3ccccc3)c3cccc1c32 963040015 ZXUMYJJROKDHTP-KSFYIVLOSA-N 358.445 2.880 0 1 FFAF Cc1cc2c(cc1O)[C@](C)(c1cc(F)c(N)c(F)c1F)N[C@H](C(=O)O)C2 963510437 QNQMWACPKOYEBP-KPZWWZAWSA-N 366.339 2.563 0 1 FFAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@@H](O)C1 12717550 LRHMRPQDVICGQO-LLVKDONJSA-N 354.765 2.643 0 1 FFAF C[n+]1cccnc1NCCCCCCCCCCNc1nccc[n+]1C 13740387 DJVSHVQOHCOKOT-UHFFFAOYSA-P 358.534 2.770 0 1 FFAF CC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 13907294 HCMZTUUUKUXOFC-HZPDHXFCSA-N 351.358 2.887 0 1 FFAF O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(C2CCOCC2)C1 15065506 OQSBVBNENOAZQE-MRXNPFEDSA-N 354.454 2.906 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767212 WVKPIMVEQYNNEJ-ICSRJNTNSA-N 366.417 2.646 0 1 FFAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049245 PTPNDMHGALUWIQ-ICSRJNTNSA-N 367.449 2.974 0 1 FFAF CCc1nn([C@H](CC)C(=O)NC2CCCC2)c(=O)c2cc3occc3n12 6807512 ISRGVXFLFPIQMV-CYBMUJFWSA-N 356.426 2.815 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@H]1CC[C@H](C2)N1 100632820 PDTXNUCBVNUQKF-IUODEOHRSA-N 371.437 2.894 0 1 FFAF Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12 64560478 UIDLYPCNTOHNOP-UHFFFAOYSA-N 350.407 2.668 0 1 FFAF COC(=O)[C@@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4o3)c2)C1 27325973 ODKUUUCBOLASIW-CYBMUJFWSA-N 366.373 2.933 0 1 FFAF CC=C1CN2[C@H](C(=O)OC)[C@@H]1CC(=O)c1[nH]c3ccccc3c1C[C@H]2OC 2356468365 YTVBFWHIYAUPOK-DJKXOVBDSA-N 368.433 2.689 0 1 FFAF CC(CC[C@]1(C)C(=O)CC[C@H](O)[C@@]1(C)O)=C1C[C@@H](c2ccoc2)OC1=O 2356614299 OXEYBYROEZOPME-SMMRIJLZSA-N 362.422 2.845 0 1 FFAF CC1(C)CCC[C@@]23[C@H](O)O[C@@](C)(CC[C@H]12)[C@@H]3CCC1=C[C@H](O)OC1=O 2356803152 WUDFSAICFQNOQL-ALGDSVFLSA-N 350.455 2.898 0 1 FFAF Cc1cc(C(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)nn1C(C)(C)C 74379352 ZYSXSFWQXBRYFZ-RDJZCZTQSA-N 352.438 2.822 0 3 FFAF Cc1nc2cc(OCc3cc(C(=O)N4CCN(C)CC4)no3)ccc2s1 45252885 ZVWCIDVJHJYYGO-UHFFFAOYSA-N 372.450 2.559 0 1 FFAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)CC1 82165734 LIWCTPMALZMXKH-UHFFFAOYSA-N 367.409 2.677 0 1 FFAF CCn1c(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)cnc1C 40861371 PVCKGYNFGXACAQ-UHFFFAOYSA-N 357.439 2.816 0 1 FFAF CC(C)n1nc(-c2cnc3[nH]cnc3c2)cc1C1CCN(C2COC2)CC1 148066895 YEVYQGJGKKVNDZ-UHFFFAOYSA-N 366.469 2.981 0 1 FFAF COC(=O)C(CC1=NOC(C)(C)C[C@H]1c1ccc(OC)cc1)C(=O)OC 299837690 KJYLYOLJZHRZKM-HNNXBMFYSA-N 363.410 2.686 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587767383 YUEVVEAOXFHQFW-ABKXIKBNSA-N 368.250 2.709 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)(=O)CC2)N1 587845478 RIPLFOVWAGSUOT-SECBINFHSA-N 362.264 2.526 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(C)[nH]n1 587870194 XVZBOZUHSZBUDR-UHFFFAOYSA-N 365.315 2.887 0 1 FFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)c(F)cc2[nH]1 586929940 JPPAFCMMIBBXJD-UHFFFAOYSA-N 369.805 2.890 0 1 FFAF Cn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1Cl 587276198 JPNMLCPFWSOXTO-UHFFFAOYSA-N 370.590 2.701 0 1 FFAF NC(=O)Cn1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c2cccnc21 963118830 XVJDPMVTISGLIG-QRWLVFNGSA-N 364.424 2.771 0 1 FFAF C[C@H](c1nc(-c2ccccc2C(F)(F)F)no1)[C@H](N)C(=O)N1CCCC1 14948410 WNDXYCVQSXVZHH-GWCFXTLKSA-N 368.359 2.809 0 1 FFAF O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1 1857538248 IQZOHWITPJCCGW-UHFFFAOYSA-N 360.461 2.787 0 1 FFAF O=C1C[C@H]2[C@H](CN(OCc3ccccc3)[C@H]2COC(=O)c2ccccc2)O1 1625278 ZKFVANLSBTUPBA-QYZOEREBSA-N 367.401 2.591 0 1 FFAF CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 3040608 RQDBLQLYVNVNTB-UHFFFAOYSA-N 369.490 2.617 0 1 FFAF Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC(=O)N2C(C)C)CC1 3049001 HQMGFFNHKVKVPD-MRXNPFEDSA-N 363.889 2.696 0 3 FFAF O[C@@H]1[C@@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 3827192 KMZHIEXZPXLLJK-GWOFURMSSA-N 355.580 2.585 0 1 FFAF O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2 3956142 YXJXCVDLLIZERZ-UHFFFAOYSA-N 356.491 2.973 0 1 FFAF C[C@@H]1c2ccccc2Oc2cccc([C@@](N)(C(=O)O)[C@H]3C[C@@H]3C(=O)O)c21 29336120 KJYYHPYHZVZSCP-SNDHSLSHSA-N 353.374 2.903 0 1 FFAF O=C(c1cccn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 73297299 USTBGZUJKCBYAR-UHFFFAOYSA-N 370.403 2.613 0 1 FFAF Cc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1 39544089 OYYQGCHHIUFQEL-NRFANRHFSA-N 352.482 2.706 0 1 FFAF O=C(NC1CC1)c1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12 42201284 ZXKDEXHYLAAGOX-UHFFFAOYSA-N 373.210 2.985 0 1 FFAF COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO 85633024 VGHXNEYLKOLHME-UHFFFAOYSA-N 358.346 2.641 0 1 FFAF biogenic,in-vitro CCCOC[C@H]1CCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)C1 92028702 LULAGEQCQWAJSW-LBPRGKRZSA-N 362.455 2.503 0 1 FFAF COc1c2c3c(c(OC)c1OC)-c1c(ccc4c1OCO4)C[C@H]3NCC2 85994932 ZBUCGSKDQQBWOS-GFCCVEGCSA-N 355.390 2.851 0 1 FFAF biogenic Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc3ncccc3c2[nH]1 586951760 YPDNCPZJWAYINF-UHFFFAOYSA-N 359.436 2.915 0 1 FFAF Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O 587937800 VCGIEYJVIGUSQC-UHFFFAOYSA-N 366.259 2.711 0 1 FFAF CCOC(=O)[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351353 UGGYRBSPPHNKPB-FXAWDEMLSA-N 372.348 2.781 0 1 FFAF NC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587576102 FWQFLXWMMNROSL-DBCMNUGHSA-N 353.374 2.768 0 1 FFAF N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 586996308 DSIVWOVIBVDIQP-SECBINFHSA-N 352.623 2.963 0 1 FFAF NC(=O)N1CCc2sccc2[C@H]1c1cc(I)c[nH]1 962709967 KZSQRSOGXRFJRM-NSHDSACASA-N 373.219 2.707 0 1 FFAF COC(=O)COc1cccc2c1c(CC(N)=O)c(C)n2Cc1ccccc1 13445753 CSTFLOKGKTYFEM-UHFFFAOYSA-N 366.417 2.578 0 1 FFAF CCCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O 13472990 RXFILCYMWCQBBJ-UHFFFAOYSA-N 363.215 2.643 0 1 FFAF O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O 13687288 SMIZKRHOEQTUGE-LURJTMIESA-N 374.629 2.590 0 1 FFAF O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 169689670 LHQSXNQSQNPTRT-JOCBIADPSA-N 368.433 2.774 0 1 FFAF CCOC(=O)[C@@H]1CN2C(=NC(=O)C2(c2ccccc2)c2ccccc2)S1 163190182 LLWVWQYDADULBL-INIZCTEOSA-N 366.442 2.807 0 1 FFAF COc1ccc2c(CCNS(=O)(=O)c3ccccc3)c(C(C)=O)[nH]c2c1 1655253 PLFZBJVALXJHEG-UHFFFAOYSA-N 372.446 2.900 0 1 FFAF Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@H](C)C2)cc1 4101815 MWJLRINFFZYKNN-AZUAARDMSA-N 371.525 2.724 0 3 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@H](c2ccccc2)O1 29316758 BVPYVSBOBAVJSC-JXFKEZNVSA-N 359.422 2.786 0 1 FFAF CC=C1CN2CC[C@@]34C(=Nc5c(OC)cccc53)[C@H]2C[C@H]1[C@H]4C(=O)OC 2356644083 RQUBWQXSISZUEA-BHOPFYFBSA-N 352.434 2.862 0 1 FFAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 74377099 JXBDDXLVBQQGOX-DLBZAZTESA-N 356.447 2.727 0 3 FFAF O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CCCN(CC2CCCCC2)C1 72172582 ZJXJOOWYHQGPCC-AWEZNQCLSA-N 353.898 2.552 0 1 FFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](C)CO)cn1 141294143 YAHZRBSLBAJZOS-CYBMUJFWSA-N 367.405 2.735 0 1 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 238734174 JHBBZIAPXDEPET-XSXSTQRRSA-N 350.499 2.537 0 1 FFAF COc1cc2c(cc1O)[C@]13C[C@@H](OC)[C@H](OC(C)=O)C=C1CCN3CCC2 238761846 GRBIFEHYJNDLOS-NJYVYQBISA-N 373.449 2.525 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2c1 587785574 NWSUZXHQKWLLMM-UHFFFAOYSA-N 362.407 2.746 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2n1 587155783 RYSXGOUWVQCFFL-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 586923123 YWZPXSJWTSZAIW-UHFFFAOYSA-N 374.418 2.819 0 1 FFAF CC(=O)N[C@H](Cc1nc2cc[nH]c(=N)c2[nH]1)c1ccc(Br)cc1 586984033 BREQPHNWMXBIOE-CYBMUJFWSA-N 374.242 2.553 0 1 FFAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc[nH]c-2n1 586999461 BHLCTQPZUHPQAQ-UHFFFAOYSA-N 359.139 2.546 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 587174950 TWJOHJUPNJYZEP-SFHVURJKSA-N 355.325 2.512 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCNC3=O)cc1)O2 587398045 DPUCPTOTULOLEQ-FQEVSTJZSA-N 351.406 2.987 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586959092 OMSOTWFXOFALBX-OAHLLOKOSA-N 369.805 2.824 0 1 FFAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(O)CC4)ncn3)c2c1 1772643957 PSIADTGPBOYJTJ-UHFFFAOYSA-N 353.426 2.768 0 1 FFAF O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccc4nonc34)N3CCC[C@@]123 12429282 ZIRJDCUIXQATMR-ROOHIHILSA-N 352.438 2.903 0 1 FFAF CC(C)NC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 169685445 LMZKIRCZNPJKJL-CABCVRRESA-N 362.405 2.549 0 1 FFAF CNc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709894 BGBRSGUIDPRJQO-KBXCAEBGSA-N 354.454 2.978 0 1 FFAF NCCC[C@@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1857560990 QJJNRTKUIOIRLC-OAQYLSRUSA-N 353.510 2.803 0 1 FFAF O=C(Oc1ccccc1)N1CCN(CCn2ccc3ccncc32)CC1 1857746526 IBIYDEQGWGSEMU-UHFFFAOYSA-N 350.422 2.853 0 1 FFAF CCNc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 603537 JFAUDVHAXVIITQ-UHFFFAOYSA-N 361.327 2.946 0 1 FFAF CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@H]1c1cccs1 2356305158 QGYJXIIXLFFBIC-LMMKCTJWSA-N 358.463 2.591 0 1 FFAF CC1(C)CC(=O)C[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1 3635072 XLXJOOZEOJQFIM-KNQAVFIVSA-N 365.429 2.948 0 3 FFAF Cc1[nH]n(Cc2ccccc2)c2nc(-c3ccccc3OCC(N)=O)nc1-2 103573897 DBTTXAIILJFLGH-UHFFFAOYSA-N 361.405 2.599 0 1 FFAF CCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 29223053 AGONNMICBWHYRL-OKACTXMXSA-N 350.484 2.758 0 1 FFAF CC(=O)O[C@H]1CC(=C(C)COC=O)[C@H]2C=C(C)[C@H](OC(C)=O)C[C@H]2[C@@H]1C 2356598833 CGWKVECDFVHISA-GYZWRVLVSA-N 364.438 2.962 0 1 FFAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C=C4[C@H](C)OC[C@H]([C@H]4CC2=O)[C@@H]13 2356669341 XZIACDKZDCVKKQ-QILYJVEXSA-N 366.461 2.503 0 1 FFAF C[C@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356715267 SULJQTGPGCOLMA-GAWCPMKDSA-N 350.499 2.537 0 1 FFAF CC(C)C=Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccc(O)cc1O)O2 2356725246 AWVLLCIFSAKNJE-WOJBJXKFSA-N 372.373 2.856 0 1 FFAF Cc1sccc1[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O 72183166 AWSZXXRYNSNVQU-LJQANCHMSA-N 363.446 2.544 0 1 FFAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CC[C@H](O)C4)cc3c2)CC1 35825974 OOYIGWVMYVWDDF-INIZCTEOSA-N 371.481 2.626 0 1 FFAF NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cc1 1911576783 LPTLAGGCZBHKGC-UHFFFAOYSA-N 351.332 2.938 0 1 FFAF CC[C@@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@H](O)[C@@H](O)CCCC(=O)O 231931469 JQFGUBLRJFEKMI-QRCFMRBNSA-N 350.455 2.905 0 1 FFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 587204461 VHLZYLJLQKOUJI-UHFFFAOYSA-N 354.370 2.576 0 1 FFAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587196458 VXPHGKYWVPOMSX-UHFFFAOYSA-N 373.482 2.769 0 1 FFAF Oc1nc(S)nc2[nH]c(CCNc3ccc(Br)cc3)nc12 586995919 LNDNWAVESKRXQU-UHFFFAOYSA-N 366.244 2.764 0 1 FFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)C3CC3)[nH]c2c1 587255863 RBGUFGFWMGZVTC-QGZVFWFLSA-N 372.450 2.782 0 1 FFAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCO)[nH]c2c1 586894356 AMWVIEPQRCVPSR-UHFFFAOYSA-N 351.815 2.552 0 1 FFAF O=C(N[C@@H](Cc1nc2cccc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587203031 MSJGLRQXCUJGAF-AWEZNQCLSA-N 357.341 2.624 0 1 FFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587784816 JTHVBXSSVJQASG-OLZOCXBDSA-N 363.373 2.837 0 1 FFAF O=C(O[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12 1772574501 QWVXHICLBDOFKQ-SCAQPMJSSA-N 363.417 2.702 0 1 FFAF COc1ccc(CC2=NO[C@H](CNC(=O)CSc3ccccn3)C2)cc1 12151839 YPBXQIRNBJVAKE-KRWDZBQOSA-N 371.462 2.686 0 1 FFAF O[C@H](CNCCOc1ccccc1)COc1ccccc1Br 169336835 INUPJBLTWXZQQB-CQSZACIVSA-N 366.255 2.857 0 1 FFAF COc1ccc(/C=C/C(=O)NCCCCC(=O)O)cc1Br 169352653 MYLDQRMKMYARSW-SOFGYWHQSA-N 356.216 2.842 0 1 FFAF O=C(Nc1ccc2c(=O)n(O)c(O)nc2c1)c1ccc(C(F)(F)F)cc1 1857569406 IVZCTEVBIFRWQD-UHFFFAOYSA-N 365.267 2.611 0 1 FFAF COc1cc2c(c(OC)c1O)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 1857595522 APWVCSUULJAZPB-HNNXBMFYSA-N 355.390 2.794 0 1 FFAF O=C(c1cnn(-c2nc(O)c3sccc3n2)c1)N1CCC(C2CC2)CC1 1857618997 FGNCTVNMZZOBRN-UHFFFAOYSA-N 369.450 2.845 0 1 FFAF CC[C@@H](C)NC(=O)Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 8604874 GJHDFVBOHYBCPR-CYBMUJFWSA-N 352.438 2.625 0 1 FFAF CC(C)n1c(=O)n(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C)c2ccccc21 100932735 AJHCSFKCWMDCCD-HZPDHXFCSA-N 356.470 2.957 0 1 FFAF COc1cc2nncc(-c3cnc(NC(C)C)c(C(N)=O)c3)c2cc1OC 59047685 XALLDXOZKQWODC-UHFFFAOYSA-N 367.409 2.628 0 1 FFAF Nc1ncc2c(n1)C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 102059458 LDYUPYYVZJQEQS-IAQYHMDHSA-N 364.858 2.553 0 1 FFAF C[C@@](O)(c1cccnc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61896239 HUVVUSXUXJEAJN-QGZVFWFLSA-N 360.460 2.864 0 3 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@H]2[C@H](O)CO 2356605652 NGYONPIMXAHRCT-UJZQWAAMSA-N 350.499 2.538 0 1 FFAF CCN1CCC[C@@H]1CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27737257 GHCLSLLSNVLTGA-CQSZACIVSA-N 372.465 2.653 0 1 FFAF COc1cc(OC)c(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)c(OC)c1 96910472 KUAKPIFSRLONMC-UHFFFAOYSA-N 355.346 2.950 0 1 FFAF COc1cc(C[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)ccc1O 238779682 BPFMIGSYZMRFMB-AUSJPIAWSA-N 358.390 2.668 0 1 FFAF CO[C@H]1O[C@@H](OC)C[C@H]2C[C@@]34O[C@H](CN3CCc3c4[nH]c4ccccc34)[C@@H]12 238759470 TZBFBDRIBLPYQM-HRXPTVDESA-N 370.449 2.579 0 1 FFAF CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccsc2)CC1 98083119 ACMQFBLXRBFEQJ-UHFFFAOYSA-N 352.463 2.988 0 1 FFAF COc1ccc([C@](C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1 299864075 LVTOERKFLODUMJ-NRFANRHFSA-N 365.433 2.731 0 1 FFAF CCn1nccc1Oc1cc(C[C@H]2CC[C@@H](O)CC2)cnc1NC(=O)NC 299839678 TVECBCSUBQOPBW-OTVXOJSOSA-N 373.457 2.935 0 1 FFAF CC(C)(C)OC(=O)NC[C@@H]1CCCCc2cc3c(O)nc(O)nc3nc21 587555195 ORWDKRXEBLFSSK-NSHDSACASA-N 360.414 2.771 0 1 FFAF O=C1COc2cc3[nH]c(-c4cc(Br)cnc4F)nc3cc2N1 587178002 LCXQHHMWRUMNKM-UHFFFAOYSA-N 363.146 2.857 0 1 FFAF CCCC/C=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587965580 NKQYATMMWPKHPW-AATRIKPKSA-N 356.470 2.516 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CN3CCN(C2)CC1(CC)C3 587482800 KGFHTLXUWQITRR-KGSCVUAUSA-N 370.493 2.706 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)NCCc2c1sc(C)c2C 963007261 HRXBIUAXBAOLCS-IBGZPJMESA-N 358.463 2.672 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc2c(nc1O)CCOC2 963608359 KRBHHCCWDXGGLD-WLRWDXFRSA-N 356.422 2.501 0 1 FFAF Cc1ccc(CN2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)s1 12019894 BJQJAHMKCPEHID-KRWDZBQOSA-N 368.466 2.635 0 1 FFAF COc1cccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)c1OC 14436574 DSNICWRJCXGVEE-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]1(CCCC(C)(C)[C@@H]1CO)COC3=O 2356418209 ZNNJYKFHWZLLTN-ANNYALTPSA-N 364.482 2.596 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2[C@H]2CCC(=O)O2)cc1 3994217 GUIJLPKNGJMXKV-UYAOXDASSA-N 371.458 2.989 0 1 FFAF COc1ccc(NS(=O)(=O)c2csc(C(=O)N3CCCC3)c2)cc1 6887836 WLPYAXWQYOGVPV-UHFFFAOYSA-N 366.464 2.794 0 3 FFAF NC(=O)C[S@@](=O)[C@H](c1ccccc1)c1cccc(Br)c1 103246733 UHAPVHXNAHJXQO-QRWLVFNGSA-N 352.253 2.773 0 1 FFAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1C1CCCC1 101616306 AKNRRJRROLTKDX-ROUUACIJSA-N 371.460 2.942 0 1 FFAF CCCN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=NCCN2)C1 58501870 RDZZVWULKPBWOC-MRXNPFEDSA-N 355.313 2.891 0 1 FFAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118879568 VWOIUAYZYVSQOQ-CYBMUJFWSA-N 372.375 2.788 0 1 FFAF COC(=O)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1[C@@H]2C(=O)OC 2356471369 UPYLNDNOLFMOTG-RFZJPIJTSA-N 374.433 2.981 0 1 FFAF N=C(N)c1ccc(CNC(=O)[C@H]2CCC=C2C(=O)Nc2ccccc2)cc1 37858450 PJEBPBYKRIOZCA-KRWDZBQOSA-N 362.433 2.562 0 1 FFAF CCCCCNC(=O)[C@H]1N(Cc2ccccc2)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 71340317 GUVMVEYQZWDWLH-JUXOCIIHSA-N 366.461 2.728 0 1 FFAF Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1[C@H](C)C(N)=O 211029025 JRSJILWBSZUJGY-AWEZNQCLSA-N 364.453 2.636 0 1 FFAF COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O 84704206 MURCULVYVOMYIO-MRXNPFEDSA-N 357.454 2.767 0 1 FFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 149347495 LBHXDXHWSHXOQC-HNNXBMFYSA-N 358.463 2.579 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc([C@@H]4CCOC4)n3n2)c1 299833964 SGWNMURRZGGZDG-LLVKDONJSA-N 358.423 2.797 0 1 FFAF Cc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccn1 653677662 GSOPBMYPRHNYLY-UHFFFAOYSA-N 360.373 2.831 0 1 FFAF COC(=O)[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587441410 FGQFRXSNHRVJPU-PXARDIRTSA-N 350.370 2.998 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc3ccccc3c2[nH]1 586960504 YKUGXEBWTPLVQV-SFHVURJKSA-N 368.418 2.580 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586930387 RIQWMONOMRECQL-UHFFFAOYSA-N 371.249 2.697 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 587774590 OLHNNWGKZYAZSZ-OTGJNSMASA-N 369.278 2.545 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803468 AWBDRAPGNWZTMH-QZOJXLDYSA-N 372.234 2.716 0 1 FFAF O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586888089 HKWJUADZROJLLI-LURJTMIESA-N 367.121 2.722 0 1 FFAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587116664 AQWLPCYJQUFACX-UHFFFAOYSA-N 365.359 2.814 0 1 FFAF COC(=O)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n2ccccc12 587393724 KQPQHAPVBOXAJD-OAHLLOKOSA-N 351.362 2.718 0 1 FFAF N=C(N)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007815 SBNZWXZOSHOVTF-UHFFFAOYSA-N 355.199 2.924 0 1 FFAF CC[C@@H]1CNC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799807 YUNUBYZPVXOPIJ-YRXQGLPXSA-N 355.251 2.864 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OCCCO3 587401203 QSRCHYYZVQUBLF-HXUWFJFHSA-N 366.373 2.551 0 1 FFAF CC(=O)C[C@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963523593 IUHCJTKEXKITPW-OXJNMPFZSA-N 357.381 2.661 0 1 FFAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccnc3nccnc23)N1)C(F)(F)F 962773802 XVKWSKJZRPPVGO-KBPBESRZSA-N 358.323 2.760 0 1 FFAF O=S(=O)(N[C@H]1CCc2ccccc2C1)c1ccc2c(c1)CN[C@H](CF)C2 13581928 SNXPPNROWQROND-OALUTQOASA-N 374.481 2.506 0 1 FFAF NC(=O)Nc1ccc2c(c1)/C(=C(\c1cccc(N)c1)c1ccc[nH]1)C(=O)N2 14962893 YKOQFISAFKIIKV-ZCXUNETKSA-N 359.389 2.999 0 1 FFAF CCN(CC)[P@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857577712 CUPWFRGLWZHRST-HSZRJFAPSA-N 368.395 2.573 0 1 FFAF COc1ccc2c(c1CC=C(C)C)O[C@]1(O)c3ccc(O)cc3OC[C@@]21O 2356356864 FBYJHWOGIRRKPJ-NHCUHLMSSA-N 370.401 2.727 0 1 FFAF COC(=O)c1cc2c(cc1NC(=O)CSCCc1ccccn1)OCO2 3065812 HTMLDWJOJHSKHW-UHFFFAOYSA-N 374.418 2.511 0 3 FFAF COc1cc([C@@H]2OC[C@H](Cc3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O 2356338279 SFMHPISSGZFAHZ-QYWGDWMGSA-N 374.433 2.957 0 1 FFAF COc1cc(OC)nc(Oc2cccc3c(C)nn(C4CC4)c(=O)c23)n1 103296445 GGFFNCOANZLRFB-UHFFFAOYSA-N 354.366 2.639 0 1 FFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)NCCC(C)C 8605371 GFQQBSIUVUJQMN-NSHDSACASA-N 372.391 2.786 0 1 FFAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356288588 HPTSPMBHFDPYPC-MANSERQUSA-N 363.546 2.844 0 1 FFAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101282984 WSFPEOPUUJFNEF-YUMYIRISSA-N 371.569 2.967 0 1 FFAF COc1ccccc1OC[C@@H]1SCCN1C(=O)[C@H](C)SC(C)=O 27561398 ZDURMTKRLUSGIU-NHYWBVRUSA-N 355.481 2.644 0 1 FFAF CCO[C@@H]1O[C@@H]2CN(C)[C@@H]3CC(OC)=CC[C@]23c2cc3c(cc21)OCO3 2356427499 CQBZGAVUNOGFCS-UAFMIMERSA-N 359.422 2.725 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)OC(C)=O 2356737846 VURLZBDQVPJJTL-YZGWKJHDSA-N 354.450 2.957 0 1 FFAF COC1=C(OC(=O)CCc2ccc(O)c(OC)c2)C=C[C@@H](C=CC(=O)O)C1 2356777057 LYEAOBNLWKEIBD-AWEZNQCLSA-N 374.389 2.952 0 1 FFAF Cc1nc(N)nc(C)c1-c1cncc(NS(=O)(=O)c2ccccc2)c1 73167229 NSOWFICSBPPZMQ-UHFFFAOYSA-N 355.423 2.538 0 1 FFAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 36384361 BTIWLFOATNUZRU-FUHWJXTLSA-N 368.433 2.925 0 3 FFAF Cc1cc(OS(N)(=O)=O)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 1911571490 GFOVWPGZNPPMLR-UHFFFAOYSA-N 364.467 2.732 0 1 FFAF CC1(C)Oc2ccc(-c3cccnc3F)cc2[C@]2(COC(N)=N2)C12COC2 220715370 AVGCDLOTQSAMEY-HXUWFJFHSA-N 369.396 2.616 0 1 FFAF C/C=C1\CN(C)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC 238761273 TYPMTMPLTVSOBU-QOULRIDNSA-N 352.434 2.963 0 1 FFAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O 261152866 PHUNDMDNZSZBDW-QGZVFWFLSA-N 354.797 2.820 0 1 FFAF COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1O 473125516 QPXDJAQCABFFAR-GFCCVEGCSA-N 374.389 2.861 0 1 FFAF COc1cccc(C(=O)NC2=NC3=NC(C)=C[C@H](c4ccccc4)N3N2)c1 473128102 YJMXNNYCZLCJQM-QGZVFWFLSA-N 361.405 2.616 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587771182 FQCJYBPWGHYEIO-MMPOEDRJSA-N 369.278 2.811 0 1 FFAF CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584383 XJDOOWMOOFJERR-KRWDZBQOSA-N 353.374 2.735 0 1 FFAF Cc1cncc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259502 JEUYWDLHMRYJQS-HNNXBMFYSA-N 353.426 2.973 0 1 FFAF COc1ccoc1[C@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962648354 ZOGPVXMOPNBKTL-AAEUAGOBSA-N 357.284 2.875 0 1 FFAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(OC)cc1C 963553089 RJWSRNSYXZINLV-LIRRHRJNSA-N 357.406 2.715 0 1 FFAF COc1ccc(C2=NN(CC(=O)Nc3ccccc3C)C(=O)CC2)cc1 5135828 HJEAQHFUNLPHIE-UHFFFAOYSA-N 351.406 2.969 0 3 FFAF Cc1nn(C)c(Cl)c1CN1CCC(CO)(C[C@@H]2CCCCO2)CC1 12020822 WXHIWORDBVLRAP-HNNXBMFYSA-N 355.910 2.916 0 3 FFAF O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(C2CC2)C1 12473029 PMAYRAINNZGMOF-CYBMUJFWSA-N 354.372 2.765 0 3 FFAF COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(F)c1 169348925 CLXWJLYMTCTMEW-UHFFFAOYSA-N 353.353 2.969 0 1 FFAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 169687415 PEFIOTKTVPRFFT-BEVDRBHNSA-N 368.433 2.985 0 1 FFAF Cc1cnc(N2CC[C@H](NC3CCCCC3)[C@@H](O)C2)c(-c2nc(C)no2)c1 1857560822 GAFFUWMMWKYJFF-ROUUACIJSA-N 371.485 2.610 0 1 FFAF COc1cc(CNC(=O)c2ccc3[nH]c(=N)sc3c2)cc(OC)c1OC 1857600978 VSAXNYJAYUJMFU-UHFFFAOYSA-N 373.434 2.665 0 1 FFAF CCc1nn(CC(=O)N(C)c2ccccc2)c(=O)c2cc3sccc3n12 1857744468 KETKKUJFRGJFJG-UHFFFAOYSA-N 366.446 2.936 0 1 FFAF Nc1nc(Nc2cccc(Cl)c2)nc(-c2ccnc(NCCCO)c2)n1 3937626 GASCNUBLHQPAMW-UHFFFAOYSA-N 371.832 2.707 0 1 FFAF O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2Cc3cccc(=O)n3[C@@H](C2)C1 4354844 XUQYIHPJSZHBKB-MMLZIGLBSA-N 367.493 2.946 0 1 FFAF Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1 4399741 JSMHRSWHPPRECX-UHFFFAOYSA-N 356.445 2.808 0 3 FFAF CC(=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12)CO 2356481562 UFCGXNZEVGKUQA-UHFFFAOYSA-N 370.357 2.764 0 1 FFAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C=C4[C@H](C)OC[C@@H]([C@H]4CC2=O)[C@@H]13 2356669340 XZIACDKZDCVKKQ-OIEGSQLESA-N 366.461 2.503 0 1 FFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356683797 DKVDXRLJBXRNDO-MHTWAQMVSA-N 369.509 2.680 0 1 FFAF CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O 2356845437 OEVCPKKGZOPKST-KUDFPVQQSA-N 362.466 2.999 0 1 FFAF COc1ccccc1CNc1nc(NCCNC(C)=O)c2sccc2n1 61930789 SKUQNZCGXYCBHO-UHFFFAOYSA-N 371.466 2.860 0 3 FFAF C[C@H](C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 36408076 SVHLVDCWHKBOIB-LBPRGKRZSA-N 366.414 2.549 0 1 FFAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccc(F)cc3)[C@@H]1C2 73129267 NSAVQSFUFNJFAX-KDOFPFPSSA-N 355.369 2.855 0 1 FFAF Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ncc12 210842507 GVTWIUPSKQGJTH-HOCLYGCPSA-N 352.398 2.582 0 1 FFAF COc1cc2cc(CCOC(=O)N3CCCCC3)oc(=O)c2cc1OC 36388771 DBOCUQMLUJOKHO-UHFFFAOYSA-N 361.394 2.975 0 3 FFAF CCN(CC)C(=O)COC(=O)c1ccc2nc(C(F)(F)F)n(C)c2c1 84635605 ZUFVFYGHUDQSLJ-UHFFFAOYSA-N 357.332 2.617 0 1 FFAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc[nH]2)n1 84671479 ZKCVRCSUKUWOBG-UHFFFAOYSA-N 353.451 2.800 0 1 FFAF CC[C@H]1CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2C[C@H]1C3=Nc2ccccc21 238766395 BMRYZKSXVDMCAO-BQFICHTISA-N 354.450 2.511 0 1 FFAF CCOCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 148121273 UXOCDJHJXYRHHD-UHFFFAOYSA-N 367.453 2.515 0 1 FFAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC1CCNCC1 98082195 AZNTUSCWIJJAIH-LIKPIUCQSA-N 372.468 2.878 0 1 FFAF CN1c2ccc(CNc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O 95586461 NPRGGISRWJDWPO-UHFFFAOYSA-N 372.425 2.977 0 1 FFAF COc1cc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC 250955880 BULUOONIXRLQTL-UGSOOPFHSA-N 373.409 2.519 0 3 FFAF O=C(Nc1ccc(F)cn1)c1ccc([S@@](=O)Cc2ccccc2O)nc1 261095939 FJTQRQBKDUZJSQ-SANMLTNESA-N 371.393 2.881 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)[C@H]1C=CC[C@@H]32 85693001 OAXALZWGNZKDGA-FFCBISMGSA-N 358.390 2.534 0 1 FFAF biogenic COC(=O)c1ccnc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 587174949 TWJOHJUPNJYZEP-GOSISDBHSA-N 355.325 2.512 0 1 FFAF O=C1C[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 587522026 DLUCAEXWLQLAPJ-ORWOLFFYSA-N 355.434 2.742 0 1 FFAF O=Cc1ccc(OCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587566308 FXXQSUYMZHQJGQ-UHFFFAOYSA-N 365.433 2.829 0 1 FFAF N=c1[nH]cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc-2[nH]1 587165775 DINIBAMAMWZOJJ-UHFFFAOYSA-N 365.397 2.823 0 1 FFAF O=C1C[C@]2(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 587526091 PORGPYXYGZFHOE-XVYTYHMNSA-N 355.434 2.742 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C 587239670 MYRYRQHWJMSKKP-UFYHVXEKSA-N 373.457 2.860 0 1 FFAF Cn1c(=O)n(C2CNC2)c2c3cc(-c4c[nH]c5nccc-5c4)ccc3ncc21 1772618952 QOFWBMZSAFGZCE-UHFFFAOYSA-N 370.416 2.527 0 1 FFAF Cc1ccc(C2(C(=O)Nc3nn(C(C)C)c4ncnc(N)c34)CC2)cc1 1772610705 SACQHSAIECHYKL-UHFFFAOYSA-N 350.426 2.968 0 1 FFAF O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccc(F)cc3F)n2)ncc1F 207783621 RGNSFQQFSZGQBC-UHFFFAOYSA-N 373.294 2.754 0 1 FFAF CC(C)=CC(=O)Nc1nc2c([nH]1)[C@H](C)c1[nH]c(NC(=O)C(C)C)nc1CC2 1857579081 FULNAIZNSVYACV-NSHDSACASA-N 370.457 2.882 0 1 FFAF COC(=O)[C@@H]1CC[C@]2(C)[C@H]([C@H]3C=C[C@@]2(O)C(=O)O3)[C@]1(C)C=Cc1ccoc1 2356454025 WGJYPUWQDZUODK-KDLFFTCQSA-N 372.417 2.731 0 1 FFAF CCOC(=O)[C@@H](C)NC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 6739391 HNXYTAOPLZCYMU-SNVBAGLBSA-N 358.419 2.733 0 1 FFAF COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 103189061 STGMCBXIWDWKNF-OAQYLSRUSA-N 359.385 2.711 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632406 FMGVKMYXCXDASO-CXAGYDPISA-N 367.474 2.943 0 1 FFAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@H]23)cc1 64453637 FDDPSZVKVPUOOD-XGHQBKJUSA-N 359.385 2.868 0 1 FFAF NC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1 114602151 WDGPUJLRSVLPNX-IBGZPJMESA-N 352.365 2.679 0 1 FFAF Nc1c(Br)c([C@H]2CCCNC2)nc2c(-c3cccnc3)cnn12 60328037 WAORXCNOCDHNFB-NSHDSACASA-N 373.258 2.603 0 1 FFAF NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC3CC5C4)cc(=O)c2c1 27430862 WUMWHKGJYXXQJK-UHFFFAOYSA-N 361.419 2.525 0 1 FFAF O=C(OCCc1cn(-c2cc3ccccc3oc2=O)nn1)c1cccs1 36388933 LJFBLHZKTRMZDP-UHFFFAOYSA-N 367.386 2.835 0 3 FFAF CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccccc3)C2)C1 71991850 RQYFZYOCZHVYLJ-NRFANRHFSA-N 370.518 2.897 0 1 FFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCCSC 82219728 LBORRRXNGFKXHD-YKRDVKNESA-N 356.532 2.608 0 1 FFAF C/C1=C\CC[C@@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H]2C(=O)C1 238766564 UWAIXFGHQNPRSB-JXZGHESRSA-N 350.455 2.798 0 1 FFAF Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(S(C)(=O)=O)c3)nc21 653809953 AAXUJXGZIUCCTL-UHFFFAOYSA-N 373.478 2.852 0 1 FFAF COC1(OC)CCOC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606479 DETNYBDTDCGGKB-LPHOPBHVSA-N 372.373 2.502 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)o1)[C@@H](C2)C3=O 587444443 PVIFGVBFZOGDAC-VBKZILBWSA-N 354.406 2.529 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cccn1 587869112 BOKFXYMWSCPGNW-UHFFFAOYSA-N 351.288 2.509 0 1 FFAF CCOC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833408 GGMICZPRRRRPPI-SEFYAATASA-N 372.234 2.527 0 1 FFAF Cc1c(I)cnn1[C@H](C)c1nc2cnccc2[nH]1 587182917 UGJSGYKFMLWFAS-MRVPVSSYSA-N 353.167 2.677 0 1 FFAF CCC1=C(C)N[C@@H]2N(CCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O 587396156 XBWNDZSPVWDUGZ-UXHICEINSA-N 355.438 2.517 0 1 FFAF CCOC(=O)[C@@H]1CCSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454496 XGKDKGCJHBJPGJ-KSMMKXTCSA-N 362.447 2.888 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2cn1 587787965 YJQFZJGUYMZQKY-OLZOCXBDSA-N 351.362 2.688 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598465 XTSPTYSXWINZPB-XSXHMXBXSA-N 353.374 2.639 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2ccc(F)c(F)c2[nH]1 587568857 OFTOPRQZOWAEBG-UHFFFAOYSA-N 356.369 2.760 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCNC3)c2cn1)c1ccccc1 1772570361 FEAPBSNWTMHACN-OCCSQVGLSA-N 366.425 2.581 0 1 FFAF CN1/C(=C/C=C2\C=c3ccccc3=N2)C=C(N2CCOCC2)c2ccccc21 1772621334 BTDVKDAIQDCWJD-ROUMAOROSA-N 369.468 2.691 0 1 FFAF CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 11819010 VJNSVQLTBMYMAV-CQSZACIVSA-N 354.454 2.703 0 3 FFAF COCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)OC)[C@H]1C 13816612 RSVJFSYTDHCFMC-HONMWMINSA-N 374.359 2.596 0 3 FFAF CC[C@H](C)[C@H]1NC(=O)[C@@H](CCCc2cn(C(=O)O)c3ccccc23)NC1=O 14636213 RPOAITLDEGVXBM-XGWLTEMNSA-N 371.437 2.519 0 1 FFAF biogenic COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169295305 ZGINMMAZDQRTDJ-HUPIUHTBSA-N 353.462 2.960 0 1 FFAF COC(=O)[C@@H](C(C)=O)[C@H](NC(=O)NCc1ccccc1)c1ccccc1 7992494 LNUUUDMPKGHRTH-ZWKOTPCHSA-N 354.406 2.605 0 1 FFAF COCC1=Nc2nnnn2[C@H](c2ccc(Cl)cc2Cl)/C1=C(\O)OC 103538514 HSXKWSDLSFIMMQ-RVROTUBLSA-N 370.196 2.718 0 1 FFAF COc1cc(C2=NN[C@H](c3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC 28456892 HHWSIWOGHFEINN-WBVHZDCISA-N 362.813 2.775 0 1 FFAF Nc1nc(N)c2cc(CNC(=O)c3cccc(C(F)(F)F)c3)ccc2n1 25970976 NESZOIYSYMLPEC-UHFFFAOYSA-N 361.327 2.743 0 1 FFAF CC[C@H](C)NC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C 21023950 DZNGDZZZFDFMMD-LBPRGKRZSA-N 361.515 2.670 0 1 FFAF C[C@H]1C=CC[C@H](COC(=O)C(C)(C)C)[C@H]1CC[C@H](O)C[C@H](O)CC(=O)O 27560151 ZDGYEYUTPNFUFZ-QEOTZNIISA-N 370.486 2.771 0 1 FFAF CC(=O)O[C@H]1C/C=C(\C)[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C 35464869 GOGQNNWYPKCAMI-TXJQVROXSA-N 350.411 2.714 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 35930617 VFDBATIKIJGMLX-IFPPFEEJSA-N 352.434 2.921 0 1 FFAF CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H]2CCCN2C1=O 3875215 GLWYBXPXOSKQAW-RBUKOAKNSA-N 351.450 2.709 0 1 FFAF biogenic CS(=O)(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 36289077 KEECVFYIAQVONM-UHFFFAOYSA-N 366.527 2.649 0 1 FFAF O=C(Cc1c(Cl)cc(Cl)cc1CO)N[C@@H]1COc2ncccc21 146602850 HROBJQIQLZWNAS-CQSZACIVSA-N 353.205 2.673 0 1 FFAF C[C@H]1CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 238753200 WZRICMNGPGNPSX-OLMCXEJOSA-N 358.390 2.822 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccccc1OC(F)(F)F)C2 144184738 BCLVTOZEADQGQX-SNVBAGLBSA-N 359.260 2.668 0 1 FFAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccc(Cl)cc1 143009102 METJSNYQFRXVOZ-JTQLQIEISA-N 359.817 2.643 0 1 FFAF COC(=O)C1=C[C@]23C=C(C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 238761822 HGYRHUKDRSSJDP-GDGLLQIHSA-N 360.450 2.781 0 1 FFAF CN1CC[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 261186733 XRGPEQSASUEAKV-CYBMUJFWSA-N 354.389 2.590 0 1 FFAF N[C@H](CCc1cccnc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 299835160 LWRKOPLMYMXZKW-IRXDYDNUSA-N 362.366 2.513 0 1 FFAF N=c1[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2c(Cl)[nH]1 587008422 VNCZPWZXCGKZFI-UHFFFAOYSA-N 364.594 2.676 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ncccn1)CC2=O 587470032 KUZNQBXFBCDSTR-IBGZPJMESA-N 355.394 2.887 0 1 FFAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587233764 AGTXOYPAKANXQJ-RKDXNWHRSA-N 352.232 2.962 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387598 QJZZYZWRVJNIPM-RNTFSAEZSA-N 360.454 2.946 0 1 FFAF COc1cc2c3c(c1)O[C@H](C1(F)CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587424608 PZZBWTVSBZEASD-LRDDRELGSA-N 363.385 2.770 0 1 FFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 587788074 ZVOPAHLMVNMFDG-LSDHHAIUSA-N 370.430 2.910 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C)c(=O)c2)N1 587774177 NGVPASLXVDJMDR-JDNHERCYSA-N 351.219 2.911 0 1 FFAF Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1C 586954949 JQBUGMJWTMELJG-UHFFFAOYSA-N 370.478 2.747 0 1 FFAF Nc1ncnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115959 HCIUKKOYOUTZEJ-UHFFFAOYSA-N 359.109 2.778 0 1 FFAF COC(=O)c1occc1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975699 MMOUJFFFIBLCNX-ZWNOBZJWSA-N 371.723 2.686 0 1 FFAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2F)cc1 166207987 AEONKKCYUXQKOH-OAHLLOKOSA-N 373.380 2.860 0 1 FFAF S=C(Nc1ccc(Cl)cc1)Nn1c(S)nnc1-c1cnccn1 1772590375 FYCLAOLYWWFOPT-UHFFFAOYSA-N 363.859 2.618 0 1 FFAF COc1cccc(CNC(=O)CSc2cc(=O)n(C)c3ccccc23)c1 5008349 PRLFSLSRNRNBGD-UHFFFAOYSA-N 368.458 2.956 0 3 FFAF COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 5227138 BLGXFZZNTVWLAY-KSOYODCDSA-N 354.450 2.647 0 1 FFAF COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccccc2)ccc1O 169687895 IVEOSZPCRBACFH-ROUUACIJSA-N 368.389 2.986 0 1 FFAF CCOC(=O)c1c(NC(=O)N2CCN(CC)CC2)sc2c1CCC2 34785634 IZOMTDMNZSHFDJ-UHFFFAOYSA-N 351.472 2.583 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 100739523 LDJPMOIHMAEPSX-IDTSFGKNSA-N 353.260 2.771 0 1 FFAF CN(C(=O)CCC(=O)O)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403212 LURBQPNARFKMJP-ISTRZQFTSA-N 368.424 2.717 0 1 FFAF COCCn1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3F)cc2c1=O 21538680 KATKOVIUALOSPG-UHFFFAOYSA-N 373.359 2.882 0 1 FFAF COc1ccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@@H]3C2)cc1 26169510 PLCZNYHLXWVWIC-IBGZPJMESA-N 350.418 2.667 0 1 FFAF CN1C[C@H]([C@H](O)C(F)(F)F)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O 115763999 XELVPJGDFJHVCH-MNOVXSKESA-N 367.249 2.741 0 1 FFAF CCN(CCc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27179992 YNDZBKQPNYPOIS-IBGZPJMESA-N 366.461 2.832 0 1 FFAF Cc1cccc(NC(=O)N2CCN(c3ncnc4[nH]cc(C)c34)CC2)c1 45284944 QRCVBFDDXGCPTD-UHFFFAOYSA-N 350.426 2.929 0 1 FFAF COc1cc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)ccc1O 40564844 OQWFCTUPMGIJFH-RMKNXTFCSA-N 357.406 2.790 0 1 FFAF CCN(C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95894887 KFWFFXHFBJTJDH-BDTNDASRSA-N 370.493 2.798 0 1 FFAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)c3ccccc3)on2)cc1OC 621429889 DNFIUXDRHPWKIK-INIZCTEOSA-N 368.389 2.822 0 1 FFAF C[C@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588090 RVOKPILRRYPBMP-DNVCBOLYSA-N 367.313 2.955 0 1 FFAF N=C(N)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983559 DHUDHQCRAFUINN-LBPRGKRZSA-N 358.243 2.852 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NC[C@@H]3CCCO3)nc1)O2 587387106 NCTGUXHZBAKEEU-GUYCJALGSA-N 354.410 2.665 0 1 FFAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C 587169705 ICRAVOBGDYBBHX-UHFFFAOYSA-N 363.414 2.840 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587196148 QRECATDGACPYLT-UHFFFAOYSA-N 373.482 2.721 0 1 FFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(N)=O)cc3[nH]2)cs1 587014574 SYYSEIIALZQRKG-UHFFFAOYSA-N 373.438 2.810 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(C)c1N 587863175 SVKDXSATIYQQEO-UHFFFAOYSA-N 365.315 2.582 0 1 FFAF COc1ccc2c(c1OC)[C@]1(c3ccc(F)cc3C[C@H]1N)N(C)[C@H](C)C2 962618942 CPYVHQSPAAYZKM-HXGDPMPDSA-N 356.441 2.846 0 1 FFAF C[C@H]1CCCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 148405189 KRLKGZZAWZIALG-JKSUJKDBSA-N 372.490 2.970 0 1 FFAF CN[C@@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO 1772602143 HPBCFIIQRFMWKG-KXBFYZLASA-N 356.447 2.618 0 1 FFAF NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534228 PPZSYYWPALHGHI-KRJOACHSSA-N 366.452 2.943 0 1 FFAF Nc1ccccc1NC(=O)CCCCCn1nnc2ccccc2c1=O 13588626 IDVVLGOKMHFUGB-UHFFFAOYSA-N 351.410 2.573 0 1 FFAF CCOC(=O)C[C@@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 169328070 CVRIERYQZVPRIK-BBRMVZONSA-N 354.859 2.615 0 1 FFAF CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 169686234 FLDPBMANMDLQTH-UHFFFAOYSA-N 357.435 2.643 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2)c(OC)c1 205217218 USAIWHVGZSMZRO-SJLPKXTDSA-N 370.380 2.718 0 3 FFAF Cc1ccc(Cl)c(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)c1 207701633 JCCYRLIRKHHAIQ-SFHVURJKSA-N 359.857 2.847 0 1 FFAF O=C(c1ccc(-c2ccc(Cl)c(F)c2)cc1)c1cc(=O)n(O)c(O)n1 1857603841 RMPNLEUIIWOMGN-UHFFFAOYSA-N 360.728 2.877 0 1 FFAF O=S(=O)(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCOCC1 1240171436 OEMCBDCJXXWLLG-UHFFFAOYSA-N 354.431 2.923 0 1 FFAF Cc1ccc2occ(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)c2c1 101655409 ZGUGMCGJBLPSIU-HOTGVXAUSA-N 362.429 2.882 0 1 FFAF Cc1cc(C(=O)N2C[C@H]3[C@H](CN(C)CCc4ccccn4)[C@H]3C2)c(C)o1 102674006 ZGPVOWVCJTTXJF-OWZKRDHZSA-N 353.466 2.784 0 1 FFAF COC(=O)c1cc(O)c(-c2c(C(C)=O)nc(O)c3cccc(O)c23)c(O)c1 2356766381 BUDLJHMCFZKWTA-UHFFFAOYSA-N 369.329 2.713 0 1 FFAF O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(CO[N+](=O)[O-])cc1 1911584283 CCNCSTVEOVJYEZ-UHFFFAOYSA-N 369.421 2.789 0 1 FFAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)oc1C 82165806 JWZJXEJEIPQFKF-CYBMUJFWSA-N 367.409 2.710 0 1 FFAF C[C@H]1Nc2c(-c3ccc(C(=O)O)cc3)cc(Cl)cc2S(=O)(=O)N1 84669697 REDOSCQDVOFDFO-QMMMGPOBSA-N 352.799 2.755 0 1 FFAF COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4CC1)[C@H]32 238778613 CGBORLREKLCHSI-PDGJWGCVSA-N 368.477 2.871 0 1 FFAF CC1(C)OC(=O)C[C@@H]1c1nc2cccc(I)c2[nH]1 586908854 KAJRQKCDIXJIFI-SSDOTTSWSA-N 356.163 2.977 0 1 FFAF CCCc1c(O)ccc2c1OC(c1nccn1C)(c1nccn1C)CC2=O 587472124 YPWACFVVFFSREG-UHFFFAOYSA-N 366.421 2.721 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Nn3cccc32)N1 587770287 IGXGPBWFONACIW-JDNHERCYSA-N 364.218 2.641 0 1 FFAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1 586917496 GUEWKGJGBUJPKN-UHFFFAOYSA-N 369.402 2.587 0 1 FFAF COc1cc([C@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC 1772586880 FLHMFQZNJJPWBH-HSJLDRMUSA-N 364.438 2.621 0 1 FFAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccs1 13125854 QYNAUKMWCMXPLJ-CQSZACIVSA-N 352.412 2.516 0 3 FFAF CC(C)NC(=O)CCCn1nc(-c2cccnc2)c2ccccc2c1=O 13600592 VQASVRBWLFIKEF-UHFFFAOYSA-N 350.422 2.763 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 169306652 AALLCALQGXXWNA-LYPNIUDPSA-N 358.390 2.533 0 1 FFAF COc1cc([C@H]2CC(c3ccccn3)=NN2C(C)=O)cc(OC)c1OC 169328252 WNWOZKDQRYOVFG-MRXNPFEDSA-N 355.394 2.805 0 1 FFAF O=C(O)c1ccccc1N1CCN(C(=O)COc2ccccc2Cl)CC1 1857547565 GHMULCHPGSXZJO-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 61895342 WAOXVWMZJKPXEE-ZDUSSCGKSA-N 373.365 2.949 0 3 FFAF CS(=O)(=O)c1ccc([C@@H](CO)[C@@H](CCC(=O)O)c2ccccc2)cc1 26642069 SPMUFJFDUPKXKL-ZWKOTPCHSA-N 362.447 2.815 0 1 FFAF CCN(CC)CCOc1c(OC)ccc2[n+]1CCc1cc3c(cc1-2)OCO3 28865097 GIFXJUCWKACWRB-UHFFFAOYSA-N 371.457 2.655 0 1 FFAF COc1ccc(CC(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cc1OC 74377021 WCWLOKQZVMRMPD-APWZRJJASA-N 366.417 2.508 0 3 FFAF CCOc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 40936953 YJMLTRJTQNPDFY-UHFFFAOYSA-N 368.842 2.927 0 1 FFAF CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 82224513 VLBUNAYLQRAIDF-LBPRGKRZSA-N 354.410 2.936 0 1 FFAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N1CCCC1 145959319 RDNPZJNRANZTQK-ZDUSSCGKSA-N 369.421 2.584 0 1 FFAF O=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3ccccc3)c2n1 143089927 WTPVENICVNTPJT-UHFFFAOYSA-N 370.796 2.880 0 1 FFAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@@H]1O 31168587 NEOCUCNBPRDPIK-WMZOPIPTSA-N 356.374 2.879 0 1 FFAF biogenic COc1cc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)ccc1N 621430231 OXNUPUFNYCPXIA-QGZVFWFLSA-N 366.417 2.871 0 1 FFAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCc1ccc(Cl)cc1 299852016 LZZXVCPPEDVRBU-LJQANCHMSA-N 371.824 2.565 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587449738 REEPSGYWCNTDMA-KSSFIOAISA-N 359.403 2.555 0 1 FFAF CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cn1 587650297 RGSAFDLKCVAMRK-UHFFFAOYSA-N 367.377 2.903 0 1 FFAF Cc1c(F)ccc2c1[C@](C)([C@@H]1C(=O)c3cccc4c3N(CC4)C1=O)NCC2 962095548 VADWTKSDNRSGFG-XMSQKQJNSA-N 364.420 2.897 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(SC[C@H]3CCCO3)[nH]c2c1 2624910 WMLZKNVYQICLIZ-GFCCVEGCSA-N 369.512 2.912 0 1 FFAF Cn1ncc2c(NC[C@@H]3CCOC3)nc(Nc3ccc(F)c(F)c3)nc21 1772617154 XXEISYGJHDRPHF-JTQLQIEISA-N 360.368 2.834 0 1 FFAF Cc1c(O)c(C)c2occ(Cc3ccc4c(c3O)OCO4)c(=O)c2c1O 13485149 ILSFEHDRJCUFAT-UHFFFAOYSA-N 356.330 2.846 0 1 FFAF biogenic,in-vitro CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 13884316 XKEPEJGXYZMKLY-MRXNPFEDSA-N 373.453 2.780 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c(OC)c1 205217269 USAIWHVGZSMZRO-WMZOPIPTSA-N 370.380 2.718 0 3 FFAF COC(=O)c1cccc(C(=O)Nc2cc(CN)cc(C(F)(F)F)n2)c1 1857605841 CVPXHDQGCQSZFO-UHFFFAOYSA-N 353.300 2.598 0 1 FFAF C[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc2c(N)ncnc21 1857760111 RWEKTFQXVFADMT-GXFFZTMASA-N 365.359 2.982 0 1 FFAF CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 1857771159 NXMBGSSXZMSVGH-UHFFFAOYSA-N 356.422 2.853 0 1 FFAF COc1ccc(COC[C@H](Cn2ccnc2)OCCC/C=C/C(=O)O)cc1 29483395 ZQONXMQXCXPTML-JUGMSXHOSA-N 374.437 2.915 0 1 FFAF COc1cc(OC)c([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1OC 58047708 TZFYONWORNHKAK-FZKQIMNGSA-N 373.409 2.519 0 3 FFAF NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100087474 BMXKVYPZPIGAST-UHFFFAOYSA-N 368.393 2.947 0 1 FFAF C[C@@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@@H](C)N1CCC(=O)O 64373494 ZXFALDNPMLUADA-HZPDHXFCSA-N 366.465 2.612 0 1 FFAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N1CCCCC1 2356630153 DJDDDJVMHZSNPQ-SJORKVTESA-N 363.889 2.604 0 1 FFAF N=C(N)c1ccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)nc1 66104589 AIBDUBLHZYMOJS-UHFFFAOYSA-N 355.405 2.860 0 1 FFAF CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccccc3)C2)C1 71991852 RQYFZYOCZHVYLJ-OAQYLSRUSA-N 370.518 2.897 0 1 FFAF COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@H](OC)C[C@]321 14440736 FFMDTHAKJBYVEN-HBMCJLEFSA-N 373.449 2.525 0 1 FFAF biogenic CC(C)C(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1cccc(O)c1 14728175 ZMADGMGPOXUDTA-ZWKOTPCHSA-N 358.346 2.688 0 1 FFAF biogenic CC1(C)O[C@@]2([C@H]3C[C@@H](CO)C[C@@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@@H](N)C2 85543246 ZVWAIVBUSQDSJF-PFGOBXOBSA-N 373.541 2.906 0 1 FFAF biogenic,in-vitro CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2cccnc2)C(=O)O1 40915301 AZRVQVNCYCMXGY-PSXSOWLISA-N 361.438 2.903 0 1 FFAF CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 95893907 VIQJOZPEKPFISR-RCCFBDPRSA-N 359.376 2.775 0 1 FFAF C=CC(=O)N(C)c1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 261174909 UQOBGKQNECGMLF-UHFFFAOYSA-N 350.378 2.950 0 1 FFAF C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@H]1c1ccc(Br)cc1 299813007 MVTNSOOORIFBMO-JUDXGUMMSA-N 354.244 2.508 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4ccc(F)cc41)[C@@H](C2)C3=O 587426373 CSTIRIUCLMEJAR-LIRRHRJNSA-N 374.389 2.655 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(N)ccnc3[nH]2)cc1 587040068 JDLNKXDVZGRSJS-AWEZNQCLSA-N 369.450 2.827 0 1 FFAF O=S(=O)(c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C1CCCC1 587562712 JIBJFJBEJSEIFY-UHFFFAOYSA-N 371.418 2.819 0 1 FFAF Oc1nc(O)c2ccc(Cn3nc(C(F)(F)F)cc3C3CC3)nc2n1 587368408 ONZDDZDHORZBMB-UHFFFAOYSA-N 351.288 2.577 0 1 FFAF CCn1nc(C(F)(F)F)cc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962908263 UXYKAWFZNVJICT-FZMZJTMJSA-N 357.307 2.749 0 1 FFAF CC1(C)C(=O)c2ccc(Br)cc2[C@@H](n2ccccc2=O)[C@@H]1O 13832148 RZBNCFVRJFQWOG-ZBFHGGJFSA-N 362.223 2.784 0 1 FFAF CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 14824995 SLWSWKGGZQCLDU-OFBRJHIGSA-N 373.449 2.846 0 1 FFAF endogenous,in-man O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccnc2)[C@H]1C(=O)c1ccco1 169687169 HHFOUSLXYUKTRS-OALUTQOASA-N 374.396 2.869 0 1 FFAF Cc1ccc2c(c1)[C@H]1CC(=O)N(CCc3cccs3)C(=O)C1=C(N)O2 206391440 XUFVVMYHHUGXBO-CQSZACIVSA-N 354.431 2.704 0 3 FFAF CC[C@@H]1C[C@H]2N3CC[C@@]4(O)C(=Nc5ccccc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356412416 PEZABKYVKVIQFY-UZAZNNDISA-N 354.450 2.644 0 1 FFAF COc1ccc([C@@H]2OC(=O)C(O)=C2I)cc1OC 103285204 BYZVKXIQVXRFPS-NSHDSACASA-N 362.119 2.506 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356379640 CTPIEAJSDCCWDH-WMLDXEAASA-N 356.401 2.706 0 1 FFAF Oc1nc(-c2ccc(F)cc2)c(CCN2CCN(c3ccccn3)CC2)o1 26294834 KNXBXDJMHVAISU-UHFFFAOYSA-N 368.412 2.946 0 1 FFAF CC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2C)CC1 28636175 UIAYDSCNHJXXHY-LJQANCHMSA-N 368.477 2.760 0 1 FFAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C=C1C)C(=C(C)COC=O)C[C@@H](OC(C)=O)[C@@H]2C 2356598836 CGWKVECDFVHISA-WNTFAFMFSA-N 364.438 2.962 0 1 FFAF CC=C[C@@]12CCN3[C@@H](C1)c1[nH]c4ccccc4c1C[C@H]3[C@@]2(CO)C(=O)OC 2356626260 QKDZPXLVEASJMP-HXHBTQRASA-N 366.461 2.957 0 1 FFAF C[C@@H](C[C@@H](C)[C@@H](O)[C@H](C)C=CC(=O)O)[C@@H](O)CC(=O)c1ccc(N)cc1 2356637164 JELLOIMREUHSKD-MCJKKAMXSA-N 363.454 2.503 0 1 FFAF COCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116193823 SFYPJOURINDDDQ-SFHVURJKSA-N 352.394 2.859 0 1 FFAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccncc2)O3)c1 61904254 LGROHZHVPGEJMZ-FQEVSTJZSA-N 373.412 2.966 0 3 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CO)n1 2356860016 UAQDQCLPDPZLNI-WDSOQIARSA-N 352.482 2.688 0 1 FFAF C=C(C)[C@@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@@H](O)C3=O)O1 14650606 BXJXKUVJTJKXQK-ZOCIIQOWSA-N 354.358 2.655 0 1 FFAF biogenic Cn1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1=O 142314117 OREYUADUTASRJW-UHFFFAOYSA-N 368.364 2.952 0 1 FFAF COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1[C@@H]2O)OCO4 31357293 FLSSXYPKPLFNLK-RBUKOAKNSA-N 355.390 2.579 0 1 FFAF biogenic COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1CCCCC1 299837794 KVYSTEOWOWEWOK-UHFFFAOYSA-N 355.818 2.919 0 1 FFAF CN(Cc1nc2cc3ccccc3cc2[nH]1)S(=O)(=O)c1cccnc1 586928666 HNQPIAUVIYRZBE-UHFFFAOYSA-N 352.419 2.932 0 1 FFAF Cn1cccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578948 SOAJBATTZPXBPH-OXQOHEQNSA-N 365.341 2.672 0 1 FFAF COC(=O)Nc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cn1 587245155 OVGRDTBQPYQRTC-UHFFFAOYSA-N 366.425 2.555 0 1 FFAF COc1cccc2cc3c(nc12)[C@@]1(CC[C@]2(O)CC(=O)CC[C@@]21C)NCC3 963062458 CZZASLZDCXZWIP-FDFHNCONSA-N 366.461 2.869 0 1 FFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c3c([nH]c12)CCNC3 1772606030 MCWYWFPMTZZBRA-UHFFFAOYSA-N 373.416 2.866 0 1 FFAF Cc1nn(C(=O)c2ccncc2)c2c1[C@@H](c1ccccc1O)SC(N)=N2 17222149 WEFZPWLBUZACTA-OAHLLOKOSA-N 365.418 2.763 0 1 FFAF C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 1559624 TYPMTMPLTVSOBU-YBULWGKISA-N 352.434 2.963 0 1 FFAF O=C(O)c1c2c(nc3ccccc13)CCN(S(=O)(=O)c1ccccc1)C2 1502963 PJHPAOLOAWWDNK-UHFFFAOYSA-N 368.414 2.680 0 1 FFAF Cc1nn(CCc2nn[nH]n2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 4211407 FGMOQCGINZQATI-UHFFFAOYSA-N 365.241 2.533 0 3 FFAF COc1cc2c(c(OC)c1OC)[C@H](OC)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@@H]21 2356384171 LPEKOSCSUJGQQB-GKTLAZJLSA-N 361.438 2.874 0 1 FFAF O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114709317 CIMVAXZTJNDDRS-UHFFFAOYSA-N 356.470 2.835 0 1 FFAF CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(N)cc1OCC(=O)O 103253689 UIPDZSTYZLHAJO-UHFFFAOYSA-N 365.430 2.701 0 1 FFAF COC(=O)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1[C@H]2C(=O)OC 2356471367 UPYLNDNOLFMOTG-GQSCTRQFSA-N 374.433 2.981 0 1 FFAF O=C1CO[C@H]2CN(CCCc3ccccc3)C[C@@H]2N1Cc1ccc(F)cc1 2356660685 QCNIZVXQFRJXFE-SFTDATJTSA-N 368.452 2.870 0 1 FFAF CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@H](N)C2 2356821070 XUFCNOJUQFAYIF-ZNSTUHFMSA-N 374.549 2.568 0 1 FFAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccc(F)cc3)[C@@H]1C2 73129264 NSAVQSFUFNJFAX-RDTXWAMCSA-N 355.369 2.855 0 1 FFAF O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CO[N+](=O)[O-])c1 1911584171 XVRGEHOVTVRRBR-UHFFFAOYSA-N 369.421 2.789 0 1 FFAF C[C@@H]1Nc2c(-c3ccc(C(=O)O)cc3)cc(Cl)cc2S(=O)(=O)N1 84669696 REDOSCQDVOFDFO-MRVPVSSYSA-N 352.799 2.755 0 1 FFAF O=C1N[C@@H](c2ccccc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45254474 NZVFNEJFUHOFKP-AEFFLSMTSA-N 360.417 2.721 0 1 FFAF CCN1CCN(c2ncc(C)c(N[C@H](COC)Cc3ccccc3)n2)CC1 82202879 AMYUILVZNRBWHH-IBGZPJMESA-N 369.513 2.597 0 1 FFAF CC(C)n1nc(Cc2cccc(NC(=O)CCl)c2)c2c(N)ncnc21 148617571 TVBHZBVZUDTABW-UHFFFAOYSA-N 358.833 2.758 0 1 FFAF Fc1cc(OCC2(F)CNC2)c2nc(-c3nnc4ccccn34)ccc2c1 96175100 OIHRVTLGUCLTFU-UHFFFAOYSA-N 367.359 2.774 0 1 FFAF CC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]21 25425526 CVRIVDAUUGHHAY-ROUUACIJSA-N 365.389 2.525 0 1 FFAF biogenic Fc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(N2CCCC2)n1 587177583 OLWNRBOGUMGFQW-UHFFFAOYSA-N 363.194 2.868 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([C@@H](N)N=O)cc3[nH]1)C2 587246029 CMUZDKROQWHALA-PKOBYXMFSA-N 351.410 2.638 0 1 FFAF COC(=O)C[C@@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521360 CNWQJYJNZIQYLC-YWZLYKJASA-N 360.406 2.642 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCOCC3)nc1)CC2=O 587477993 YYQIJJBAKFPKET-GOSISDBHSA-N 369.421 2.678 0 1 FFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587151872 VCMYOHKFLVEBGQ-MRVPVSSYSA-N 353.350 2.629 0 1 FFAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCO4)c1Br 586980152 OKULCWQRFKSLPJ-UHFFFAOYSA-N 351.160 2.843 0 1 FFAF Cc1cc([C@@H]2CCCN(C(=O)c3ccc(F)c(C)c3)C2)n2ncnc2n1 1772573945 STBGTICWPIPTAX-OAHLLOKOSA-N 353.401 2.900 0 1 FFAF CCc1nn([C@H](C)C(=O)N2CCCCCC2)c(=O)c2cc3occc3n12 5149585 FXIVBIMMAUNKBN-CYBMUJFWSA-N 356.426 2.768 0 1 FFAF CCCn1c(=O)c2c(nc(C/C=C/c3ccccc3)n2C)n(CCC)c1=O 12405382 AFJGZAMGBLWZAS-FMIVXFBMSA-N 366.465 2.973 0 1 FFAF CC[C@@H](CCCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)O 13764930 BTXYOVLOHTWHJF-LBPRGKRZSA-N 358.442 2.853 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 100986565 UOFDPOPBEANSNM-WBVHZDCISA-N 374.396 2.951 0 1 FFAF O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Nc1cccnc1 29323554 YFTUGOHVHFFSHQ-UHFFFAOYSA-N 366.352 2.886 0 1 FFAF CC1(C)OC(=O)c2c1ccnc2NC[C@@H](O)COc1ccc(Cl)cc1 103252065 RDSNIKQCZLAAAN-GFCCVEGCSA-N 362.813 2.992 0 1 FFAF COc1ccc(-c2oc(=O)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1N 26832371 GVNNQROBOBYZGE-UHFFFAOYSA-N 372.377 2.919 0 1 FFAF CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 61852969 CREIVZMVKVHAOK-KRWDZBQOSA-N 370.505 2.632 0 3 FFAF COc1ccc2c(c1)C=C(CN1CCN(C3CCCC3)[C@H](CCO)C1)CO2 38149469 GGSLKSRWHHCRLE-HXUWFJFHSA-N 372.509 2.782 0 3 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCC[C@H](O)C4)ncc23)ccn1 219750320 MVQYPJSRJIWGSQ-KGLIPLIRSA-N 366.425 2.753 0 1 FFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2cc(C)c(C)cc2OC1 1911576406 ROMHAQVJFWXKFK-OAHLLOKOSA-N 364.781 2.645 0 1 FFAF Nc1cc(Nc2ccccc2C(=O)O)nc(Nc2ccc(C(=O)O)cc2)n1 89469965 IKQHFRXKCWIHEG-UHFFFAOYSA-N 365.349 2.942 0 1 FFAF CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)N=CN2CCN=C12 45284672 PZZOSVFTLLABOC-UHFFFAOYSA-N 352.316 2.648 0 1 FFAF Nc1cnc(-c2ccc(-c3cccnc3OC[C@@H]3CCNC3)cc2F)cn1 224716972 KPXOTESFALYWBM-CYBMUJFWSA-N 365.412 2.915 0 1 FFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3n2cc(-c3ccccc3)nn2)cc1 25413210 OIVGIZBBWFUXOK-JSXRDJHFSA-N 363.417 2.869 0 1 FFAF biogenic Cc1nc(=N)[nH]cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743336 DGFHIXWUMFOCCW-BCTVWOGZSA-N 365.250 2.897 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H]4CCOC4=O)c1)[C@@H](C2)C3=O 587450737 GBFJYISCOUNZHM-RZQQEMMASA-N 366.369 2.878 0 1 FFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587226197 XAIYIHMNRWPGAK-GFCCVEGCSA-N 364.405 2.531 0 1 FFAF CCC(=O)[C@H]1C(=O)OC(C)=C[C@@]12NCCc1cc3cccc(OC)c3nc12 963051694 FOZDBAKUFOGRRX-LAUBAEHRSA-N 366.417 2.640 0 1 FFAF Cc1cccc(COc2cc(=O)n3c(n2)COC[C@H]3Cc2ccccc2)n1 1772640772 YNSSLYBREVKLTK-GOSISDBHSA-N 363.417 2.840 0 1 FFAF COc1cc2oc(C)cc(=O)c2c2c1C[C@H](C)[C@]1(C[C@@H](O)C[C@@H](C)O1)O2 14922719 MHQCFVVDBXCFCK-IUNRRVLSSA-N 360.406 2.937 0 1 FFAF biogenic O=C(Cn1cc(C2(O)CCCCC2)nn1)NC12CC3CC(CC(C3)C1)C2 169310919 KWAWRDUCMKHFFW-UHFFFAOYSA-N 358.486 2.515 0 1 FFAF C[C@H]1CNC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644824 SNEKQIGUUXKDQP-FZMZJTMJSA-N 359.376 2.847 0 1 FFAF O=C(SCCC(=O)N1c2ccccc2C[C@@H]1C(=O)O)c1ccccc1 27322630 YKFWAGJPIWVMBS-MRXNPFEDSA-N 355.415 2.993 0 1 FFAF N=C(N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 26651376 QPPHMYQNDNAZMQ-UHFFFAOYSA-N 351.454 2.757 0 1 FFAF CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@H]5C[C@H]6C(=O)[C@H]5[C@@H](C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 103579636 CWTDIQWAPGCRFL-LCHROHDKSA-N 359.510 2.608 0 1 FFAF biogenic,in-vitro COc1nc(C)c(Nc2nc(Cl)cn([C@H](CO)C3CC3)c2=O)cc1C 116832150 GZIKMAKNDUHZMB-CYBMUJFWSA-N 364.833 2.604 0 1 FFAF CN(Cc1cccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccn[nH]1 20783162 JZAVMWCKBWDMMK-GOSISDBHSA-N 365.437 2.644 0 1 FFAF C[C@@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCCO3 29123854 IXPXSMPKNNYNCP-VIFPVBQESA-N 357.797 2.679 0 1 FFAF C[C@H]1CCCN(C(=O)CCc2n[nH]c3ccnc(NC4CCOCC4)c23)C1 114772210 MWDNZQJQNNVTLR-AWEZNQCLSA-N 371.485 2.740 0 1 FFAF CN1CCc2cc3c(cc2[C@H]2C(=O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 2356760137 ZNMBKYFBDJDSHG-AEFFLSMTSA-N 351.358 2.653 0 1 FFAF CCCOc1cc(Cc2cnc(N)nc2N)cc(Br)c1OC 27198419 VCTHIMKESCQQGQ-UHFFFAOYSA-N 367.247 2.792 0 1 FFAF NC(=O)c1ccc([C@@H]2CCCN2Cc2cccn2-c2ncccn2)s1 20600436 QYDUSVVFXUIFIY-AWEZNQCLSA-N 353.451 2.765 0 1 FFAF C[C@@H]1C=C2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]([C@H]1C)[C@H]24)OCO5 1579095 WTXORUUTAZJKSN-ZCXQVHELSA-N 354.358 2.887 0 1 FFAF biogenic CC(C)(O)CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 14762758 CIYMYAQLSJQKAQ-UHFFFAOYSA-N 372.373 2.986 0 1 FFAF biogenic COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](Cl)c1ccccc1 16921924 CWMHUPHLHLCPCS-HZPDHXFCSA-N 367.854 2.795 0 1 FFAF biogenic O=C(c1cnc(N2CCCCC2)nc1-c1ccccc1F)N1CCOCC1 82217015 IVNNNDAOXPDRLJ-UHFFFAOYSA-N 370.428 2.745 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CN2CCC1CC2 40401193 MUMLSZXBXFEQAV-HNNXBMFYSA-N 370.478 2.730 0 1 FFAF C[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CC[C@@H](C)O2 96019148 KORCKUMNTYBUJB-UONOGXRCSA-N 350.484 2.999 0 3 FFAF CCCCn1c(-c2c(C)cccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95592398 VGUYMAAUSHQVMU-UHFFFAOYSA-N 365.437 2.760 0 1 FFAF Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1C 95587751 ZZKGABUEQNIQJQ-UHFFFAOYSA-N 350.418 2.754 0 1 FFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95793927 ZOVGZWZPHZVLOP-WOJBJXKFSA-N 354.494 2.628 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C 586933687 WDSMLRYVYNRUMQ-ZDUSSCGKSA-N 371.434 2.817 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401326 WEECJBZVZFLOFS-OAQYLSRUSA-N 367.401 2.879 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cccnc1=O)(c1ccccc1)O2 587400552 QSZGOHTVQYFJLK-OAQYLSRUSA-N 361.401 2.695 0 1 FFAF Oc1cc(O)nc(SCc2nc3ccc(Br)cc3[nH]2)n1 586967395 ZZZBGNMVANKXTH-UHFFFAOYSA-N 353.201 2.819 0 1 FFAF C[C@]1(c2nc(Br)cs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962926637 YEDNAOUINRVRSD-HZMBPMFUSA-N 371.231 2.907 0 1 FFAF COc1ncc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(N)n1 962999343 QPMPWBFLHFCUPK-INIZCTEOSA-N 353.451 2.672 0 1 FFAF COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2 208958105 BVJVVWOEIMRQHW-INIZCTEOSA-N 352.390 2.717 0 1 FFAF O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)C1CCCC1 143186931 YJZRVPYDEZZTOK-UHFFFAOYSA-N 356.474 2.831 0 1 FFAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2 1772633706 SCKUOVHZFKJVFA-STQMWFEESA-N 366.387 2.954 0 1 FFAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(c2ncccn2)C1 1772570035 HJXAXXUTIBEZHT-LBPRGKRZSA-N 365.441 2.597 0 1 FFAF C[C@@](O)(C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)C(F)(F)F 13760126 NQDBFDSOHOVHQU-OAHLLOKOSA-N 373.352 2.771 0 1 FFAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](C)C[C@@H](OC)N1C 169306447 PTCRNTLFIVAYCE-SMDDNHRTSA-N 354.838 2.947 0 1 FFAF CCCC(=O)OCSc1ccccc1C(=O)NCCCCCC(N)=O 1857542884 MMJQLISEXSWKDD-UHFFFAOYSA-N 366.483 2.855 0 1 FFAF COc1cc(CNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O 1857570431 CKYAUOWPHLGCHZ-SOFGYWHQSA-N 373.405 2.756 0 1 FFAF COc1ccc2nc(CO[C@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2c1 2356300001 RRMKUBKJUCYIRB-YJBOKZPZSA-N 356.401 2.706 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048987 LTPRHQFXAUPTQK-BPAFIMBUSA-N 351.450 2.845 0 1 FFAF COc1ccc(NC(=O)C2=NN(c3ccc(OC)cc3)C(=O)CC2)cc1 4563368 GOOPPTYMHDVJGU-UHFFFAOYSA-N 353.378 2.825 0 1 FFAF Cc1nc2c(CCCF)c(Cn3ccnc3-c3ncccc3F)ncn2n1 6718852 QHEQMDDJIIMLIN-UHFFFAOYSA-N 369.379 2.781 0 1 FFAF O=C(C[C@H]1C(=O)OC[C@H]2CCCCN12)Nc1ccccc1C(F)(F)F 59866950 NWFBQPPWHUJOKI-RISCZKNCSA-N 356.344 2.814 0 3 FFAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1CC(O)(C2)O3 101095660 CTKDNRAPWIIIPH-VBGJKXNYSA-N 365.857 2.890 0 1 FFAF O[C@H](CCN1CCN(c2ccccn2)CC1)COc1ccc(Cl)cc1 29485529 OUFNHXOCUGYGDY-QGZVFWFLSA-N 361.873 2.687 0 1 FFAF C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 28001155 UJVJESYKEHAJNS-RYELMRTPSA-N 362.466 2.883 0 1 FFAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232718 QCDYCTLJSWTBAM-WBVHZDCISA-N 372.428 2.565 0 1 FFAF biogenic CCc1ccc(Cc2cc([C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)ccc2C)cc1 49035980 PDKMPBWKXXEKCR-YSFYHYPLSA-N 356.462 2.692 0 1 FFAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1 40896886 HCPBCPRBVAIFLZ-UHFFFAOYSA-N 359.393 2.995 0 1 FFAF c1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn[nH]c3)n3nccc3n2)nc1 144720807 ZFWAJANXDQOOAB-CABCVRRESA-N 361.409 2.642 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNc3[nH]cnc32)N1 587802153 KGHIPIAXSYUFPR-GLEZIHRCSA-N 364.222 2.543 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(F)cnc2[nH]1 587260066 RNZYMMOYMWMKOC-AWEZNQCLSA-N 357.389 2.803 0 1 FFAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(=N)N)cc2[nH]1 586973916 SELUHPOWWZGPKZ-KRWDZBQOSA-N 367.478 2.958 0 1 FFAF COc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 587118795 QJFLLLIAOYHSCB-UHFFFAOYSA-N 364.287 2.885 0 1 FFAF N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOC1 587248565 UEYPYMOTWBXBLD-LLVKDONJSA-N 350.138 2.919 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)cc(Cl)c2[nH]1 587203198 JPECHGQTHABMIB-NSHDSACASA-N 357.241 2.949 0 1 FFAF COc1cccc([C@H]2NCCc3c(C(=O)O)cccc32)c1OCCN(C)C 963132673 RTEYTYKJXUAIKF-IBGZPJMESA-N 370.449 2.569 0 1 FFAF CCOc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1-c1cn[nH]c1 1772636938 LVAMWHFZQXITMS-GOSISDBHSA-N 351.406 2.939 0 1 FFAF COc1cccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)c1 1772634906 DLKAXDLQBNNVLC-UHFFFAOYSA-N 361.405 2.822 0 1 FFAF O=C(Nc1ccc2nc(N3CCNCC3)[nH]c2c1)N1Cc2ccccc2C1 166015182 SYAAQWSVRFRGJD-UHFFFAOYSA-N 362.437 2.520 0 1 FFAF Cc1cc2c(c(O)n1)C(=O)O/C2=C1\C(=O)Nc2ccc(Br)cc21 1857651978 QPOOKUSMAAZWQT-QBFSEMIESA-N 373.162 2.849 0 1 FFAF O=C1COc2ccc(Cl)cc2N1Cc1cn(-c2ccc(F)cc2)nn1 1857754540 RLRHNRSNFFACOD-UHFFFAOYSA-N 358.760 2.985 0 1 FFAF O=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1 584605940 AATJHIFTVCAMGM-UHFFFAOYSA-N 352.369 2.607 0 1 FFAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCOc2ccccc2)cc1 2466584 RPFLJIVYTQTPKS-NRFANRHFSA-N 367.449 2.688 0 1 FFAF CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 101938898 NTGQCMRXASLWIR-HFEWUVCRSA-N 355.434 2.729 0 1 FFAF O=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O 117700597 CTPVTASKZQBESS-UHFFFAOYSA-N 371.400 2.970 0 1 FFAF CC(C)(O)[C@H]1Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@@H]1O 2356539827 BEELJZPOZYDTHN-OALUTQOASA-N 354.358 2.731 0 1 FFAF COC(=O)[C@]12C[C@@]34C[C@H](C)CC[C@@H]3[C@@]3(C)[C@H]1C(=O)[C@@H](C[C@]3(O)O4)C2(C)C 2356797679 OHQMUENDPIGROS-IYIMIJKISA-N 362.466 2.695 0 1 FFAF C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1cccc2cccnc12 40423599 YLYAMZXYSQCSFW-LLVKDONJSA-N 371.393 2.910 0 1 FFAF CC=C1CO[C@H](O)[C@@]2(C(=O)OC)[C@H]1Cc1nccc3c4ccccc4n2c13 14719745 HPBUEEAIZGVXAY-JHVJFLLYSA-N 364.401 2.525 0 1 FFAF biogenic COc1ccc(C[C@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@@H]2O)cc1OC 86043727 FDXPFHFRXMBVEU-XFQAVAEZSA-N 372.417 2.799 0 1 FFAF endogenous,in-man CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1ccc(F)cc1 40980746 DWFFQVGJGIUTLH-CYBMUJFWSA-N 364.377 2.614 0 1 FFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148296925 KQSYLMFIQXXHQD-OAHLLOKOSA-N 358.463 2.581 0 1 FFAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(N2CCNCC2)s1 96935100 HTUVKFKTULMMSC-UHFFFAOYSA-N 373.269 2.899 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 257522739 QKXSRJAHTPTJNG-CBZMRCMKSA-N 368.514 2.916 0 1 FFAF endogenous,in-man C[C@@H]1O[C@H](O)C[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 254080384 VNYPKNHJPZZNQO-NBMRYCAZSA-N 356.374 2.565 0 1 FFAF CC(C)(C)CC(=O)N1[C@@H](c2ccco2)[C@@H](CO)C[C@]12CCCCNC2=O 299852351 QTLHPQKZZHCTDF-ZTQAJYAQSA-N 362.470 2.637 0 1 FFAF O=C(Nc1cccc(CO)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653740711 PEDNSWRLVHWPEG-HNNXBMFYSA-N 352.394 2.899 0 1 FFAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587970435 HLIJFUNHTUPSGI-UKRRQHHQSA-N 361.467 2.654 0 1 FFAF COC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398414 CPMNTXFCLKONAP-QGZVFWFLSA-N 371.389 2.844 0 1 FFAF O=C(O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587164451 QYLNDOYFSUDWIJ-UHFFFAOYSA-N 366.352 2.678 0 1 FFAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(S(=O)(=O)C(F)F)cc1 963069410 MIGPNRGGXNCKNW-QGZVFWFLSA-N 352.406 2.796 0 1 FFAF Cc1ncc2c(n1)CCC[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228102 IAFUIXFDHRZNTF-PZJWPPBQSA-N 360.417 2.512 0 1 FFAF O=C(O[C@H]1CCN2CCO[C@H]1C2)c1cn(CC(F)F)c2ccc(F)cc12 1772606311 WSLSMBVZGPOGHI-HOTGVXAUSA-N 368.355 2.675 0 1 FFAF C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(F)c3)c3c(N)ncnc32)C1 1772608859 NEIPNPWJQGINQS-CQSZACIVSA-N 366.400 2.564 0 1 FFAF O=C(O)Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12 13448999 WXSAWYHSKSQSPM-UHFFFAOYSA-N 351.387 2.682 0 1 FFAF O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc[n+]([O-])c1 14968302 JOEWKRAUDHJYMV-QGZVFWFLSA-N 370.359 2.591 0 3 FFAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCCN1 169302637 LNOUDWPQEHYKOB-HZPDHXFCSA-N 360.408 2.786 0 1 FFAF COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)c(OC)c1OC 28475353 XTQOIIZEXWNXKI-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF COC(=O)[C@@H]1C[C@@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2OC)[C@@H]31 2356420264 URDXZVLEWZYTSQ-QFWXNIIVSA-N 368.477 2.555 0 1 FFAF O=C1CO[C@@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 2356533374 BVULGJPUHQGXLW-KSSFIOAISA-N 354.358 2.513 0 1 FFAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@@H]1[C@H](C)[C@H](CC)O[C@](O)(CC)[C@@H]1C 2356704937 NPCODZUACZMXSK-SPKJCXKISA-N 372.502 2.690 0 1 FFAF CC=C1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@@]2(C)CO[C@H]1O 2356765113 RKNFTDYAQCNESB-OQKHSGFDSA-N 352.434 2.915 0 1 FFAF CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1 2356800756 REPYZBXULPHQIV-VQTJNVASSA-N 361.445 2.621 0 1 FFAF O=C([C@@H]1C[C@H](NCc2ccnc3ccccc23)CN1)N1Cc2ccccc2C1 72107028 OWMROPBXPMQSFY-UGKGYDQZSA-N 372.472 2.597 0 1 FFAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)ccc3OC)O2)cc1 45255681 LTMAAEKGUKXHSV-LJQANCHMSA-N 356.378 2.952 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H]([C@@H]3CCCO3)C[C@H]2CS1 221403521 AYIXLNDRJRRIAH-WTIJQPERSA-N 354.422 2.806 0 1 FFAF C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(C)nc1-2 84670937 XOHLGPHQMURXNY-OAHLLOKOSA-N 353.466 2.799 0 1 FFAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCc3ccco3)co2)cc1 82073720 BFNCHOIQALMHKG-UHFFFAOYSA-N 353.378 2.631 0 1 FFAF CCC(CC)CN1C(=O)/C(=C/C(=O)N2CCOCC2)c2cccc(F)c21 49037085 AKQHDWUSOSICGI-FOWTUZBSSA-N 360.429 2.851 0 1 FFAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95667174 MRYRMEABGAMLAI-UXHICEINSA-N 371.525 2.811 0 1 FFAF CC(C)(C)n1ncc2c1CCCN(C1[C@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 95587749 WBAXTNRSLNUYJC-DJASPMHUSA-N 357.498 2.966 0 1 FFAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 587560151 CPXCYICWNYHDOJ-MFKMUULPSA-N 365.389 2.897 0 1 FFAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(=O)OCC)c1)CC2=O 587476852 RJNUUGOGPVDWMI-KRWDZBQOSA-N 358.394 2.811 0 1 FFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnncc2[nH]1 586984408 LNBBIBFFRYKXDW-LBPRGKRZSA-N 360.215 2.535 0 1 FFAF Cc1ccc(-c2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cs2)o1 587016441 LOBJXXRMNKWHOO-UHFFFAOYSA-N 360.420 2.902 0 1 FFAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587402524 YSLJPUFFBULKBW-MRXNPFEDSA-N 357.362 2.756 0 1 FFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(CCO)cc2[nH]1 587194134 MGHWSYHMWXRRIO-HNNXBMFYSA-N 362.474 2.615 0 1 FFAF C[C@@H]1C(=O)[C@@]2(C=CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580265 BHXAWGJSZZUHHI-RRBXVBTKSA-N 351.358 2.509 0 1 FFAF CCOC(=O)[C@@H](C)[C@@]1(c2ccco2)NCCc2ccc(C(=O)N(C)C)cc21 962929697 VWMFQYYWYCYPOQ-SPLOXXLWSA-N 370.449 2.570 0 1 FFAF COc1ccc(CC(=O)Nc2cc(-c3ccccc3)nc3ncnn23)cc1 1772650670 AFNIDGZNKZHLAJ-UHFFFAOYSA-N 359.389 2.981 0 1 FFAF CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 13447226 WPVGADVMVUQURM-OAHLLOKOSA-N 373.453 2.684 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@@H](c2ccccc2)C[C@H]3[C@H]1C5 13780679 ZLDWSBNUJAMVSC-SJBGRVAXSA-N 363.457 2.816 0 1 FFAF C[C@]1(C(=O)NC[C@@H](O)c2ccccc2)CON=C1c1ccc(Cl)cc1 769248 VXQWCORDABPOGV-APWZRJJASA-N 358.825 2.930 0 1 FFAF COC1=CC(=O)O[C@@H](c2coc(C(=Cc3ccc(Cl)[nH]3)CO)n2)[C@@H]1C 2356409121 ZFKNRTLKFAAYBN-JDNHERCYSA-N 364.785 2.953 0 1 FFAF CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cccc2nonc12 3665132 ZGYWHKPCTJBOIW-UHFFFAOYSA-N 373.434 2.896 0 1 FFAF CN(C)[C@H](CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cn(C)c2ccccc12 27297560 NSLSUEQHSJDZJE-JTDSTZFVSA-N 351.450 2.732 0 3 FFAF CC(C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 59728870 UQLCEZCBCSBXKA-INIZCTEOSA-N 370.357 2.651 0 1 FFAF biogenic Cc1cccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 117351934 ITESAINVLAOGRP-UHFFFAOYSA-N 363.461 2.714 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@@]14COC(=O)C1=CC[C@@H](O3)[C@H]42 2356530198 HQXPEPNOBAUHLR-AAMISZCHSA-N 356.374 2.695 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H](O)C2=C(C)C(=O)O[C@@H]2C1 2356604111 UBMHMIZHPPOKIP-BVDVMYHHSA-N 350.455 2.654 0 1 FFAF COc1cccc2nc(C[C@@H]3CN(CC4CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356686564 KJMQQSALAFGBDP-HUUCEWRRSA-N 357.454 2.937 0 1 FFAF CC(=O)Nc1ccc(Cn2nc(Nc3cc[nH]n3)c3ccccc3c2=O)cc1 38252620 MOWOODVZLKWUAO-UHFFFAOYSA-N 374.404 2.870 0 1 FFAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 73129960 IIGBHHGULGFJHA-UHFFFAOYSA-N 357.435 2.506 0 1 FFAF C/C1=C\CC[C@@](C)(O)[C@H]2C[C@H](CC[C@](C)(O)[C@H](O)CC1)[C@@H](C)C(=O)O2 40405413 FZQSMOGFOFEWKN-QMHSLUAVSA-N 354.487 2.718 0 1 FFAF C/C=C1\CN2[C@@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 238752495 RCEFXZXHYFOPIE-ZXWSNUFSSA-N 352.434 2.567 0 1 FFAF C[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173725 IAMDESMJFSPQPH-GOSISDBHSA-N 374.393 2.734 0 1 FFAF COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC 587527649 XMTSWRUMNMVLLI-VPTLXERWSA-N 372.417 2.642 0 1 FFAF Nc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1N 587145283 VSVDWABPJZVWHN-SNVBAGLBSA-N 364.222 2.871 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1cc(C(=O)OCC)nn1)CC2=O 587475200 KCBNTBOTFDTZAU-LJQANCHMSA-N 373.409 2.537 0 1 FFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1CCO 13144487 BGNWPQMCQZSXKT-UDKICSLYSA-N 371.436 2.898 0 1 FFAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccncc3)CC(=O)N21 16040676 HYXUIYRKQGRSSE-GOSISDBHSA-N 374.444 2.594 0 1 FFAF biogenic CC[C@H](CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)OC 166644303 RDCYADGBLXWGNC-QGZVFWFLSA-N 368.437 2.784 0 1 FFAF Cc1csc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)n1 1857560952 HZENRYKDGIMOCX-UHFFFAOYSA-N 352.463 2.891 0 1 FFAF COC(=O)c1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45352229 CMIHYFNDEJDEQP-UHFFFAOYSA-N 374.400 2.788 0 1 FFAF C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839808 STZRZIMQWDRFEY-DOMZBBRYSA-N 373.478 2.683 0 3 FFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2CO)ccc1O 2356375486 FHYQIQMSODIFCP-LIRRHRJNSA-N 372.373 2.717 0 1 FFAF COc1cc2c(cc1OC)CN([C@H]1CCCN(C3CCOCC3)C1)CC2 22919817 KDGONKJIBJFTKR-IBGZPJMESA-N 360.498 2.705 0 1 FFAF CC[C@@H]1C[C@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103216395 VYJIHRXBVYCXJP-OCCSQVGLSA-N 354.838 2.995 0 1 FFAF Cc1nc(C)c(S(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)o1 28525810 AHMBKTMJOBDXMV-UHFFFAOYSA-N 357.435 2.860 0 1 FFAF Cc1n[nH]c2c1[C@@H](c1cnn(-c3ccccc3)c1Cl)C1=C(COC1=O)N2 28891307 WFMYQLIGPIJPRV-CQSZACIVSA-N 367.796 2.926 0 1 FFAF CN1CCc2cc3c(cc2[C@@H]2C(=O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 2356760141 ZNMBKYFBDJDSHG-WMZOPIPTSA-N 351.358 2.653 0 1 FFAF CC[C@H](C)[C@H]1NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1 2356790495 FQQOZLHPNGWWQX-NILFDRSVSA-N 359.426 2.551 0 1 FFAF O=C(N[C@@H]1CCN2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2C1)c1cccs1 8378242 JLHFKPCNGPSRHM-OCCSQVGLSA-N 373.409 2.617 0 1 FFAF biogenic COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@@H]2[C@H]3CO)ccc1O 31900936 KBWKVVULAPXWFJ-UYVJDWJCSA-N 358.390 2.557 0 1 FFAF CCc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12 43078600 SRKNVQGMLSKJLN-UHFFFAOYSA-N 350.422 2.564 0 1 FFAF CC[C@]12CN3CCc4c([nH]c5ccccc45)C3=CC1=C(C(=O)OC)C(=O)O2 14594500 JPMVRCYAYSSAIH-NRFANRHFSA-N 364.401 2.556 0 1 FFAF biogenic CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O 45357419 RRZLRRTWZKEJME-UHFFFAOYSA-N 372.475 2.668 0 1 FFAF CC(C)Oc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1 84670254 ULMRMVZQMKZWKJ-MLJKTZRHSA-N 361.467 2.725 0 1 FFAF in-vitro CC[C@]12CC[C@@]3(CO)[C@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]513)CN2O 238774651 UPUSDFICAYQOLV-IXLSQNRCSA-N 361.482 2.908 0 1 FFAF COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]1[C@@H]5[C@@H](OCc1ccccc1)[C@H]42)OCCO3 253986390 FIBTWTLJSKPPQB-NEPQLKQESA-N 370.445 2.780 0 1 FFAF NS(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 586877860 SMSCEAFUPFNHKV-UHFFFAOYSA-N 369.446 2.640 0 1 FFAF CCN=c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587739349 ASHVNPRMGDCDQD-VFZGTOFNSA-N 365.250 2.856 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587205205 ZTTXHIXKAFSRNZ-NSHDSACASA-N 374.338 2.800 0 1 FFAF COc1cc(-c2nc3c(C)ccnc3[nH]2)ccc1OCC(=O)NC(C)C 587218522 IYSRVZGDGGQDRK-UHFFFAOYSA-N 354.410 2.845 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cnn(-c3ccccc3)c1)O2 587391127 KQXQHNHATVLOQQ-HXUWFJFHSA-N 363.373 2.708 0 1 FFAF Cc1ccc(F)cc1[C@]1(C(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963025348 MHEMFGVCCGBKFJ-MPBGBICISA-N 354.381 2.516 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3n(C)c2ccccc12 13122306 IWEYXWIPVZEVPT-JPACEELZSA-N 366.461 2.578 0 3 FFAF CC(=O)N1CCCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168761442 RUGKMJBVTQEPHN-AWEZNQCLSA-N 350.426 2.833 0 1 FFAF CC(C)[C@H](CO)NCc1nc([C@@H]2CCCC3(C2)OCCO3)ccc1F 204411171 TWSHSSAWCVJHQY-KDOFPFPSSA-N 352.450 2.728 0 1 FFAF CCC(=O)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1 1857553757 LINSUCGFGGNPDX-UHFFFAOYSA-N 354.454 2.660 0 1 FFAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)o1 1857653700 QTWIOCLYEVHSLI-JXFKEZNVSA-N 363.417 2.638 0 1 FFAF COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2OC)c1 641416 TXTXJOIVIHSFBO-SFHVURJKSA-N 367.405 2.970 0 1 FFAF NC[C@@H](Cc1ccccc1)c1cccc(CNS(=O)(=O)CC2CC2)c1 114241735 ZDRRHNXYLOAVPH-HXUWFJFHSA-N 358.507 2.801 0 1 FFAF Cc1cnc(NCC2(c3ccccc3)CCOCC2)nc1-c1ncnn1C 23311242 WCGOGKHXYCUUSH-UHFFFAOYSA-N 364.453 2.741 0 1 FFAF C[C@H]1C[C@@H](C)C[C@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H]1O 27625777 QGEQAZFXCIABEB-HJHHKTJYSA-N 373.493 2.746 0 1 FFAF Nn1c(S[C@H](C(=O)O)c2ccccc2)nc2c([nH]c3ccccc32)c1=O 34648318 JWNSTORYMLUSCU-HNNXBMFYSA-N 366.402 2.510 0 1 FFAF COc1cccc(C(=O)Nc2nonc2NC(=O)c2cccc(OC)c2)c1 45373163 CLSVEQQHELQLAY-UHFFFAOYSA-N 368.349 2.591 0 1 FFAF CCOc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(CC2)CO3)c1 220717741 ZBXSCAQSUCUQMO-HXUWFJFHSA-N 351.406 2.860 0 1 FFAF Cn1c(=O)c2c(cc(/C=C/c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O 95596476 YAFKHDVBTUJQFW-RMKNXTFCSA-N 363.339 2.765 0 1 FFAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2NC2CCCC2)C1 140131663 FKBSKNFJOVZOQC-UHFFFAOYSA-N 362.437 2.947 0 1 FFAF CCOC(=O)[C@@H]1CCCN(CCC(=O)N2CCCC23CCCCC3)C1 653769961 KUSLDZDWQMFSBV-QGZVFWFLSA-N 350.503 2.977 0 1 FFAF COc1c(C)cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1C 653905707 AOHOUAQREGGAOP-INIZCTEOSA-N 363.483 2.609 0 1 FFAF O=C1c2ccc(O)cc2O[C@@]2(CCN3CCO[C@H]2C3)[C@H]1c1ccc(F)cc1 587344549 GZCMRBUUXIWHJZ-IRFCIJBXSA-N 369.392 2.734 0 1 FFAF COC(=O)c1ccnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587084501 BFQZDIFNJNRHAV-UHFFFAOYSA-N 372.816 2.572 0 1 FFAF NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508911 GINAJRILUILGFN-LEWJYISDSA-N 371.433 2.790 0 1 FFAF CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(C)cc3[nH]2)CC1 586952307 IBEMTCRUCBDPNQ-UHFFFAOYSA-N 351.472 2.799 0 1 FFAF CCOC(=O)[C@@H](c1cccnc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435929 KMWYDABSNIEMMS-FPDPHYFHSA-N 367.401 2.943 0 1 FFAF COC(=O)[C@H]1c2ccccc2C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444800 VCGHDJNHQPIEDR-FQELHTAISA-N 350.370 2.694 0 1 FFAF CCn1cc([C@]2(CC(=O)C(F)(F)F)NCCc3c(C)ccnc32)cn1 963075517 SJTNXKCVLYJQNE-INIZCTEOSA-N 352.360 2.517 0 1 FFAF Cn1ncc2c(NCCO)nc(Nc3cccc(C(F)(F)F)c3)nc21 1772603813 UQEHHSKOMPIYPO-UHFFFAOYSA-N 352.320 2.530 0 1 FFAF Cc1ccc2nc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OC(C)C)sc2c1 1772617148 XNKUMVGMQCHKHI-AWEZNQCLSA-N 372.450 2.551 0 1 FFAF C[C@@H]1C=C2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]([C@@H]1C)[C@H]24)OCO5 5124913 WTXORUUTAZJKSN-QXNMXXGUSA-N 354.358 2.887 0 1 FFAF biogenic O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCc3ccccc3C1)CC2 13806848 MYQZTWVEKPGPBV-OAQYLSRUSA-N 361.489 2.972 0 1 FFAF CCN(C)C(=O)Oc1cc([C@@H](C)N2CCN(C)CC2)cc2cccnc12 1857548076 UOQFVMNZVYSSHQ-OAHLLOKOSA-N 356.470 2.994 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCC=CCOc2ccc1c(F)c2 1857626670 CLCYYBNLZMBPBL-SFHVURJKSA-N 371.364 2.579 0 1 FFAF CC(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1Cc2ccc(C(N)=O)cc2CN1 1857749535 BFLRIDARCIQQPU-WOJBJXKFSA-N 371.525 2.911 0 1 FFAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCc2ccccc2F)cc1 770244 RWLAOSAWIVNALO-OAQYLSRUSA-N 369.440 2.991 0 1 FFAF CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@H](C)O 3939639 KBBUFDNIKCQBPT-DZGCQCFKSA-N 369.473 2.986 0 1 FFAF Cc1nn([C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807366 RGBFTQMMGMUVDU-SGMGOOAPSA-N 356.426 2.807 0 1 FFAF CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C1 103282245 RYNPFRHPNJVBPI-ZDUSSCGKSA-N 357.454 2.500 0 1 FFAF Cc1cccc(OCC(=O)NC(=S)Nc2nnc(-c3ccccc3)o2)c1 103166897 LZJFAMRFWWNZRN-UHFFFAOYSA-N 368.418 2.937 0 1 FFAF NC(=O)/N=c1\s[nH]c(S[C@@H]2CCCCc3ccccc32)c1C(N)=O 103548884 BLCWVDAFBKECPI-PFMFLNCGSA-N 362.480 2.714 0 1 FFAF in-vitro CN1c2cccnc2CN(Cc2cn(C)c3ccccc23)CC[C@@H]1CO 2356293708 JNSWXXYPXQDKIV-QGZVFWFLSA-N 350.466 2.776 0 1 FFAF COC[C@H]1CCCN1C(=O)c1onc(-c2ccc(OC)cc2)c1[C@@H](C)O 2356294817 ROPIJFSVRSJNGT-TZMCWYRMSA-N 360.410 2.655 0 1 FFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4c(C)cccc4C)C[C@H]3C2)n1 116826669 DPIPMKPGBKKWPI-ROUUACIJSA-N 350.466 2.919 0 1 FFAF NC(=O)c1cccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)n1 61905900 MHSBBMVMGRWSKD-ZDUSSCGKSA-N 369.450 2.597 0 3 FFAF CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@@H](C)O 38932994 KBBUFDNIKCQBPT-UKRRQHHQSA-N 369.473 2.986 0 1 FFAF CN(C)CCNc1nc(SCc2ccccc2)[nH]c2nc(=N)sc1-2 1911574561 DOMJQBYHUSXKPW-UHFFFAOYSA-N 360.512 2.716 0 1 FFAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@@H](c5ccn[nH]5)C4)c23)c1 210759098 QYEXQVOFWXSVBI-QGZVFWFLSA-N 371.404 2.798 0 1 FFAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)oc1C 82165804 JWZJXEJEIPQFKF-ZDUSSCGKSA-N 367.409 2.710 0 1 FFAF CCCCc1ccc(Nc2nc(OC)c3ncn(COCCO)c3n2)cc1 40466803 VKUBWAXKYAJHMK-UHFFFAOYSA-N 371.441 2.888 0 1 FFAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)ON1C 95587852 GCLRKGDBYPDRHM-KGLIPLIRSA-N 360.322 2.992 0 1 FFAF NC(=O)c1cc(F)cc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12 146735929 OKBDXGNRRUXLQE-UHFFFAOYSA-N 360.433 2.537 0 1 FFAF CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@H]31)[C@@H]42 263638931 YBDIDQHYUBEDQR-KTIPNOMGSA-N 352.434 2.780 0 1 FFAF COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1 299820982 RMYJHKWCNASDMS-YYIAUSFCSA-N 362.445 2.739 0 1 FFAF Sc1nc(S)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587043247 YGNOXCAVXKCSBB-NXEZZACHSA-N 361.521 2.877 0 1 FFAF O=C1C[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587530877 WHVWEFTWTHXDRL-DWXOBUMHSA-N 370.401 2.711 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)S(C)(=O)=O)N1 587849075 JLNJYHQYASTEBX-OQPBUACISA-N 364.280 2.987 0 1 FFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCCO3 587223696 DLBYQZNIMLWPIX-ZDUSSCGKSA-N 367.405 2.808 0 1 FFAF CN=c1[nH]c2ccccc2n2c(Br)nc(Br)c12 1857759978 CSJQFZACFKNKPW-UHFFFAOYSA-N 356.021 2.871 0 1 FFAF Cc1cn(C2CCN(Cc3ccc4ccccc4n3)CC2)c(=O)nc1O 1772590490 MBOYZQAZPCNKEJ-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF O=C(O)C[C@](O)(CSCCCc1ccc(Cl)cc1Cl)C(=O)O 13758088 ITLFLRQRHMHRIQ-AWEZNQCLSA-N 367.250 2.950 0 1 FFAF COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5)ccc1O 14696264 GEJUXZYANAYHRZ-OALUTQOASA-N 350.374 2.772 0 1 FFAF endogenous,in-man Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@H](N)C1 205248782 UTZIYQNSLAYKSK-HNNXBMFYSA-N 371.448 2.928 0 1 FFAF CN1CCC[C@@H](NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)C1 118674028 UHYZCMYXHGAMGC-LLVKDONJSA-N 356.451 2.821 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)C[C@@]4(C[C@H]21)c1ccccc1N(C)[C@H]34 2356333350 PRBYEVQYZLEFMG-RKDSJROLSA-N 350.462 2.729 0 1 FFAF C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 4829389 ZGBPEYOUUKHDEK-MELADBBJSA-N 356.422 2.863 0 1 FFAF Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 4903237 PVOGWTZROONFLE-YLJYHZDGSA-N 364.445 2.987 0 3 FFAF Cn1ncc2c1C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 102051952 ZNIINFIWHBSEGX-WFASDCNBSA-N 351.859 2.914 0 1 FFAF O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@@H]2C[C@H]12 103260422 HIOMOGJGDYPGSP-MOPGFXCFSA-N 353.466 2.942 0 1 FFAF COC1=CC(=O)O[C@H](c2coc(/C(=C/c3ccc(Cl)[nH]3)CO)n2)[C@@H]1C 103239332 ZFKNRTLKFAAYBN-OYXDOCPSSA-N 364.785 2.953 0 1 FFAF CC[C@@H](CCc1ccc(F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27745042 HMDKKYXZPAZQII-LPHOPBHVSA-N 360.429 2.665 0 1 FFAF COc1cc(Cc2cnc(N)nc2N)cc2c1N[C@](C)(CF)C=C2CF 29564735 XGIOTZBUWCNJCW-SFHVURJKSA-N 361.396 2.747 0 1 FFAF c1ccc2nc(COc3ccc(OCCCc4nnn[nH]4)cc3)ncc2c1 28219490 WLPRPGJQKABLEH-UHFFFAOYSA-N 362.393 2.734 0 1 FFAF O=C(Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](O)C1)c1cnn2cccnc12 113654308 WTUNZCQRKFMUHJ-QWHCGFSZSA-N 372.812 2.927 0 1 FFAF Cc1nonc1N1CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 67817976 MKVYVJUZICTYAV-UHFFFAOYSA-N 364.409 2.837 0 1 FFAF Cc1ccc(CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 73224052 ZVWOYFINMRDWKN-CYBMUJFWSA-N 364.442 2.926 0 1 FFAF COC(=O)c1cncc2c1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2CO 13380980 SIZFHMVDXZLUER-RTBURBONSA-N 363.417 2.538 0 1 FFAF biogenic O=C1c2cc3c(cc2OCN1Cc1ccccc1)C(=O)N1CCC[C@H]1O3 72170677 IURRTSFKNDGNLP-GOSISDBHSA-N 350.374 2.633 0 1 FFAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@H]1[C@@H]2CCC[C@@]1(C)O 85594482 WNRWNWFOYJAQIH-OITMNORJSA-N 360.406 2.854 0 1 FFAF biogenic,in-vitro O=C1C[C@@H]2N(CC3CC3)CC[C@@]34CC(=O)[C@H]1C[C@]23Cc1ccc(O)cc14 95560147 WWZJATZYCGKHLQ-IRNNPGBSSA-N 351.446 2.609 0 1 FFAF COc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 96273574 GSCBLXZNTKMGDD-WOJBJXKFSA-N 366.461 2.513 0 1 FFAF NS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(Cl)c2)cc1 299831515 QJQDLRKIAQUUHD-UHFFFAOYSA-N 370.261 2.908 0 1 FFAF COc1cc2c3c(c1)O[C@](C)([C@@H](N=O)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587426942 BJTNXUUAFGPMOW-DCPHZVHLSA-N 366.373 2.975 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807203 LLIMESDAVMTPQV-WLTZMBQTSA-N 372.234 2.716 0 1 FFAF CCOC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833401 GGMICZPRRRRPPI-KJRLAJNESA-N 372.234 2.527 0 1 FFAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 587068706 BQRVNMNTAQANDQ-MRVPVSSYSA-N 351.888 2.869 0 1 FFAF COCCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 13596752 YEQNGJRILVYJIN-CQSZACIVSA-N 368.424 2.636 0 3 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2cc3c(cc21)O[C@H](c1ccccc1)O3 13603221 MFYWWBKJDKNZLL-LJQANCHMSA-N 352.390 2.826 0 1 FFAF COc1ccc2c(c1)O[C@]1(C)C[C@H]2[C@H](C(=O)c2ccccc2OC)C(=O)N1 3911492 OABCLKMPOUYXKO-FQELHTAISA-N 367.401 2.915 0 1 FFAF O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCCCCC1 4034365 XQVXEJUILROTRO-UHFFFAOYSA-N 353.466 2.711 0 3 FFAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cnc(Br)cn1 117721570 PWXXNFVVBZPFDS-GFCCVEGCSA-N 361.243 2.958 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)cc1 61906624 QZDWCVGUNFUAFQ-GOSISDBHSA-N 351.406 2.537 0 3 FFAF COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)N(C=O)CC2 40556648 AKVKUGHGZJTTBV-MRXNPFEDSA-N 355.390 2.731 0 1 FFAF COc1ccc(C[C@@H]2COC[C@@H]2[C@@H](O)c2ccc3c(c2)OCO3)cc1OC 14641993 FYOTVUDLKBICQX-XFQAVAEZSA-N 372.417 2.971 0 1 FFAF biogenic CC(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)CC(C)(C)C)C2)C1 96168926 RBQFNOWQOYXDSH-INIZCTEOSA-N 373.497 2.833 0 1 FFAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@@H]1[C@H]2C(=O)OC 238766647 GZTGPKOSHVZHKN-WLKGZBLQSA-N 356.466 2.893 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N=c1cc(C)o[nH]1)CC2=O 587470462 NYWRZGKMWLNJGD-LJQANCHMSA-N 358.394 2.816 0 1 FFAF O=S(=O)(NC1CC1)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874803 CKJIVHSMPZSFGO-UHFFFAOYSA-N 372.381 2.620 0 1 FFAF COc1ccc2c(c1Br)-c1nc3nc(O)nc(O)c3cc1CC2 587366147 KPGUZALZRJLMJX-UHFFFAOYSA-N 374.194 2.973 0 1 FFAF Cc1ccn(CCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n1 587924014 YXAXBAPTXSRKHN-UHFFFAOYSA-N 362.480 2.929 0 1 FFAF C[C@@H](O)c1ncc(-c2nc3cc(I)cnc3[nH]2)s1 587020881 CAZYTENDDAHZBR-RXMQYKEDSA-N 372.191 2.739 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc2n1 587784827 JVWXYLOYFMJHEW-STQMWFEESA-N 351.362 2.688 0 1 FFAF CN(C)CCOc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154756 GMVSBKZNMIQCGS-MGPUTAFESA-N 354.429 2.984 0 1 FFAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)N[C@H](C(=O)O)Cc2cccc(F)c21 962901630 RGUWJVJREVLESE-YWZLYKJASA-N 368.364 2.543 0 1 FFAF OC[C@@H]1[C@@H](COCc2ccccc2)C[C@@H]1n1cnc2c(Cl)ncnc21 28709832 JDMXELSBXFFVRB-KFWWJZLASA-N 358.829 2.866 0 1 FFAF CC(C)(C)c1ccc(-c2nc(N)[nH]c(=O)c2I)cc1 29550949 XQHULTKPZPJASX-UHFFFAOYSA-N 369.206 2.921 0 1 FFAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccccc2)=N1 27988486 JDDLKQYBXGUQKD-GDBMZVCRSA-N 360.369 2.643 0 1 FFAF CNC(=O)Cn1c(=O)n(C2CCN(CCCC(C)C)CC2)c2ccccc21 49067467 CRRZULOSODRDQQ-UHFFFAOYSA-N 372.513 2.622 0 1 FFAF CCOC[C@@]1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O 49089705 CKPMOWXBASFJMZ-NRFANRHFSA-N 371.433 2.795 0 1 FFAF C[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 43197583 UJIHZLJAUMPTFR-RNFRBKRXSA-N 351.799 2.629 0 1 FFAF O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1 82133291 JTBSJQIJEGPNAP-UHFFFAOYSA-N 352.438 2.606 0 1 FFAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(C#N)n2)n1 141613196 MDYSTXWIXMTVTI-ZIAGYGMSSA-N 370.420 2.704 0 1 FFAF COc1ncccc1C(=O)Nc1ccc(Nc2ncnc3[nH]cnc23)cc1 95602122 JBQGCMZNQUONFD-UHFFFAOYSA-N 361.365 2.752 0 1 FFAF CCCCCNC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC 299822019 NBQJSDZRPFLUGK-UHFFFAOYSA-N 360.414 2.599 0 1 FFAF Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1CC(=O)O 587249345 INICIJJOHSMNRY-UHFFFAOYSA-N 371.706 2.853 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cnc(NC[C@H]4CCCO4)nc1)[C@@H](C2)C3=O 587432315 KOAPAIWXWVTBGK-FRIZHTMISA-N 367.405 2.565 0 1 FFAF CC[C@H](C)n1ncc(I)c1-c1nc2ncncc2[nH]1 587181633 XSHKBSOIRPRUQY-ZETCQYMHSA-N 368.182 2.792 0 1 FFAF Cc1c(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cnn1C 587649944 NLGQIOJZVKWRDV-UHFFFAOYSA-N 367.377 2.782 0 1 FFAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc[nH]c(=N)c2[nH]1 587113720 STZRAHMYENANPE-INIZCTEOSA-N 363.343 2.789 0 1 FFAF C=CCn1cc(C(=O)NCCN(CC)CC)c(=O)c2ccc(Cl)cc21 221261367 GBJCHGWTDWWOBM-UHFFFAOYSA-N 361.873 2.913 0 1 FFAF Cc1ncc(CN2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 12308875 BNLNQXUTNFEDLB-NRFANRHFSA-N 351.498 2.914 0 1 FFAF CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN21 13383028 RKTWGMYTKBSCLV-OALUTQOASA-N 363.546 2.805 0 1 FFAF biogenic,in-vitro CCOC(=O)c1cc(C(=O)c2cc(Br)ccc2O)coc1=N 5861864 PLTCIWUCXWPPCT-UHFFFAOYSA-N 366.167 2.635 0 3 FFAF COC(=O)[C@@H](NC(=O)c1cc2ccccc2n1CCCCCO)C(C)C 1857579001 LAXWACVGEMZMHK-SFHVURJKSA-N 360.454 2.731 0 1 FFAF O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21 1857618407 ZWGAMHPQDKNAGC-UHFFFAOYSA-N 353.357 2.904 0 1 FFAF COc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)cc(OC)c1 767459 ONCFFRDUTXNYAY-NRFANRHFSA-N 368.433 2.803 0 1 FFAF COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC 924356 NFOTWEZTCHQKDO-UHFFFAOYSA-N 367.409 2.857 0 3 FFAF Cn1c(CO[C@@H]2CN(Cc3ccncc3F)C[C@@H]2F)nc2ccccc21 2356325187 NKCBYROTBMJSOZ-MAUKXSAKSA-N 358.392 2.847 0 1 FFAF COC(=O)C[C@@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CC[C@@H]1O 2356347134 JRCFLZQSHKOCLZ-FXAWDEMLSA-N 366.454 2.886 0 1 FFAF O=C(CC(=O)c1nnn[nH]1)c1ccc(OCc2ccc(Cl)cc2)cc1 103139701 ZATIWCGJQLLLRE-UHFFFAOYSA-N 356.769 2.888 0 1 FFAF C[C@@H]1C[C@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@]12C[C@@H](c1ccco1)OC2=O 2356566845 WXMNNRDFSZJCML-TYCVPIAZSA-N 358.390 2.534 0 1 FFAF Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3cccnc3)cnn12 60328036 WAORXCNOCDHNFB-LLVKDONJSA-N 373.258 2.603 0 1 FFAF COc1ccc2nc3n(c2c1)[C@H](CNC(=O)c1ccc(F)cc1)COC3 2356715781 RETYXWBIOZTSNX-CQSZACIVSA-N 355.369 2.685 0 1 FFAF CC(=O)N1CCC(Cn2cnc3scc(-c4ccco4)c3c2=O)CC1 32603523 IPZYNTMQXIAEEY-UHFFFAOYSA-N 357.435 2.977 0 1 FFAF C[S@](=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 71318446 FCWWTHQCXQLULC-RUZDIDTESA-N 352.419 2.716 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2cc3occc3cc2c1=O 71341746 KCPQXMUENVGPJE-INIZCTEOSA-N 368.345 2.730 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c(OC)c1 74377955 VTTPFYFIAXNGRG-MJGOQNOKSA-N 366.417 2.887 0 3 FFAF Cc1cn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4ccncc43)cc2)cn1 49071826 QVVGDJPNAHSEMW-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 95594959 ASRWRMWLFZMROI-AWEZNQCLSA-N 355.446 2.975 0 1 FFAF CC(C)(C)OC(=O)N1CCCN(CCc2cccc3c2CC(=O)N3)CC1 299862648 JZNHOASMQHZCKX-UHFFFAOYSA-N 359.470 2.667 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccncc1 299839391 RDOCIYLSPYZNSR-UHFFFAOYSA-N 350.758 2.504 0 1 FFAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1 653833432 PMNJLMNHDCPDRG-UHFFFAOYSA-N 353.407 2.774 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=NN(CCC(=O)O)c3ccccc31)O2 587393887 NSORPQBFLZMRKW-FQEVSTJZSA-N 365.389 2.718 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 587205215 ZYGNEUVTICBOLG-LBPRGKRZSA-N 357.241 2.949 0 1 FFAF Cn1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)n1 587650181 YTUHBBOKSDTHBS-UHFFFAOYSA-N 371.340 2.717 0 1 FFAF COC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1OC 586925187 WUSIGTLJNMSJBK-KHPPLWFESA-N 372.402 2.803 0 1 FFAF Clc1nccc2nc(-c3nccnc3I)[nH]c12 587186688 OWUGMVCZBVCDMI-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)C2)N1 587843873 KRAXWVQUNKNUDU-XPTSAGLGSA-N 362.264 2.526 0 1 FFAF Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCCC3)ncc12 1772603063 UJZXYXXZKHABDR-INIZCTEOSA-N 366.425 2.708 0 1 FFAF CCCNCc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1 13471126 WADJTGRQJNOIJS-HNNXBMFYSA-N 368.441 2.844 0 1 FFAF COc1c(O)ccc2c1CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 13545765 JUQBPFGIFICIIN-UHFFFAOYSA-N 355.390 2.543 0 1 FFAF biogenic,in-vitro COc1cc2c(cc1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C 14639513 QXYCMLRBKSSDAI-ZDUSSCGKSA-N 357.406 2.876 0 1 FFAF biogenic COc1cc(CNC(=O)/C=C/c2cc(OC)c(OC)cc2OC)ccc1O 1857539578 FKSNICXLSIXVCD-SOFGYWHQSA-N 373.405 2.756 0 1 FFAF Cc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857613177 SLOVRGQTJGESMC-CQSZACIVSA-N 374.448 2.971 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc21 4969236 ZRTOAYFIFWHOII-UHFFFAOYSA-N 374.462 2.819 0 1 FFAF NC(=O)c1nc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)cnc1N 101581754 YJXPILYYRNJCFH-TXEJJXNPSA-N 354.410 2.573 0 1 FFAF CNCc1cc(-c2cccnc2Cl)n(S(=O)(=O)c2cccnc2)c1 115730267 DVPUHMLPLTYZEB-UHFFFAOYSA-N 362.842 2.555 0 1 FFAF C[C@@H](NC(=O)COc1ccccc1)[C@H](c1ccccc1)N1CCN(C)CC1 22037034 GSXGNYVFFZYRNV-XMSQKQJNSA-N 367.493 2.559 0 3 FFAF CC(C)(N)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27848656 ZZILYMQAXORWTE-NSHDSACASA-N 373.428 2.737 0 1 FFAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@H](O)[C@@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 2356873453 YGVSZJJKFQFKBE-TXRKDZTGSA-N 350.455 2.788 0 1 FFAF COc1ccc(C(=O)Nc2ccc(F)cc2NC(=O)COC(C)=O)cc1 66259204 VORGLKVDTGFOOF-UHFFFAOYSA-N 360.341 2.588 0 1 FFAF C[C@]12CC[C@@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]1[C@@H]1C=C[C@@]2(O)C(=O)O1 38793830 AALLCALQGXXWNA-VULLPXFTSA-N 358.390 2.533 0 1 FFAF C[C@@H]1C(=O)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@H]3[C@H]1C 139656043 ILXJSQQEACLYCI-JWUKRIJYSA-N 353.462 2.903 0 1 FFAF CCOc1cc(CCNc2nc(N3CCOCC3)ncc2C)ccc1OC 82202766 RVMURQQFNUJVPJ-UHFFFAOYSA-N 372.469 2.684 0 1 FFAF CC[C@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@H](O)[C@@H](O)CCCC(=O)O 231931473 JQFGUBLRJFEKMI-BIVBJQALSA-N 350.455 2.905 0 1 FFAF Fc1ccc(-c2noc([C@@H]3CCc4c(nnn4[C@H]4CCOC4)C3)n2)cc1 653768985 XYTZQUCMUFIGKB-OCCSQVGLSA-N 355.373 2.701 0 1 FFAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 587164107 WOPRPJRIINSSOO-UHFFFAOYSA-N 350.309 2.801 0 1 FFAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccn2N1 587585856 HACPLBJPWDYGIA-YLJYHZDGSA-N 362.341 2.525 0 1 FFAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 587236515 XCCJOEDBYDUVOA-WDSKDSINSA-N 373.048 2.937 0 1 FFAF CCOC(=O)Cc1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228411 LELDUOMUGNDOMD-UHFFFAOYSA-N 365.433 2.570 0 1 FFAF CC(C)(C)Oc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(N)cc1F 587136418 PVBFIXSEQPQFRS-UHFFFAOYSA-N 350.785 2.936 0 1 FFAF COC(=O)c1cc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1OC 586906688 GFJZJJOPHWHHLO-JTQLQIEISA-N 354.362 2.939 0 1 FFAF CN(C)C(=O)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254542 MCULADMBXQCTEB-UHFFFAOYSA-N 358.405 2.801 0 1 FFAF COc1cc(C)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587946822 YGLCSKOUVGBWHP-UHFFFAOYSA-N 374.397 2.970 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584748 AIKGUDYKYWTOIG-WMLDXEAASA-N 366.329 2.605 0 1 FFAF COC(=O)c1ccsc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238680 VYDCKEUBNDDWGS-HOTGVXAUSA-N 368.414 2.771 0 1 FFAF O=C1COC(CN2CCCC2)=C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963108118 KTTGRKCMANOZTB-DYESRHJHSA-N 356.441 2.621 0 1 FFAF CCNCc1cc2cc3c(cc2n1C)CCc1c-3nc(O)c(C(=O)O)c1O 1857647700 DMNYTEVJFAIGHD-UHFFFAOYSA-N 367.405 2.558 0 1 FFAF O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)NCc1ccccc1 1379681 VJDNQQROUDYNPW-MRXNPFEDSA-N 367.405 2.728 0 3 FFAF COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1O 58590789 ZGJLPIFVPCFYDU-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCC2CC2)O3)c1 61908510 OKLUMSAJQXVYEA-OAQYLSRUSA-N 365.433 2.927 0 3 FFAF Fc1cccc([C@@]2(CN3CCC(Oc4ncccn4)CC3)CCOC2)c1 20821541 GQSRALPCGPABHC-HXUWFJFHSA-N 357.429 2.817 0 1 FFAF COc1ccc(CN2C[C@H]3CN(C(=O)C(C)(C)C)CCN3C(C)(C)C2)cc1 2356540441 XWFXGPRFAYSHJQ-SFHVURJKSA-N 373.541 2.848 0 1 FFAF OCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216331015 NNRLJOJFBSPVQS-UHFFFAOYSA-N 366.425 2.780 0 1 FFAF CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196317 ZKQGLIUXAQKUOE-GFCCVEGCSA-N 368.437 2.843 0 1 FFAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(CC2CCCCC2)CC1 146703232 HHODORPGMSMXQA-UHFFFAOYSA-N 370.497 2.656 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]cn5)n4)CCC3)cc2)cn1 149791492 ZSUXOIDPMKNQJI-UHFFFAOYSA-N 359.393 2.969 0 1 FFAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccco2)cc1OC 95589862 XSDNRLVBMKNCDF-KRWDZBQOSA-N 372.377 2.668 0 1 FFAF O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1 299843269 POJODRNNIDGDHD-ATZDWAIDSA-N 355.413 2.839 0 1 FFAF O[C@H](CCN1CCN(C(=S)NCc2ccccc2)CC1)c1ccccc1 473135527 JEKRLUSSERXLPN-HXUWFJFHSA-N 369.534 2.802 0 1 FFAF Cc1nc(O)c(C(N)=O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587509679 INKWRPWSBNAXEH-NRFANRHFSA-N 366.417 2.954 0 1 FFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(N3C(=O)CCC3=O)c2c1 587651147 LSGXONAPKLKXJU-UHFFFAOYSA-N 368.414 2.892 0 1 FFAF COCCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661380 YKQQMBLICAOOED-UHFFFAOYSA-N 355.369 2.797 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587426293 BXLQLEKBJHHBTP-IFXJQAMLSA-N 351.337 2.904 0 1 FFAF Cn1c(O)ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1=O 587107175 QDFAGTRJJKWSJI-UHFFFAOYSA-N 355.353 2.913 0 1 FFAF COc1cc2c3c(c1)O[C@H](CNC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432310 KMWPIONWTSDDPP-NVXWUHKLSA-N 353.374 2.738 0 1 FFAF CCOC(=O)C(=O)[C@@H]1COCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963115649 AMHDOPSPFXBLCQ-SUMWQHHRSA-N 372.248 2.503 0 1 FFAF Cc1c(F)ccc2c1[C@@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)NCC2 962378815 URGWJIKNSFLTAH-IFXJQAMLSA-N 366.433 2.863 0 1 FFAF O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 118668343 FQTGTVOVVRVTMG-LBPRGKRZSA-N 370.478 2.650 0 1 FFAF C[C@H]1Cc2c(Br)nc3nc4c(c(N)c3c2NC1=O)CCCC4 1857588892 CESHYBBMCKIRIU-ZETCQYMHSA-N 361.243 2.984 0 1 FFAF N#CN1CCC[C@](F)(C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)C1 1857612207 XENQDMHLRQRNNF-QGZVFWFLSA-N 370.413 2.910 0 1 FFAF CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 6875719 VEATZCPCKDHZHU-SJORKVTESA-N 358.463 2.811 0 1 FFAF Cn1c(-c2cn(CCO)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1 103258444 SCFAXAIGJNYTQW-UHFFFAOYSA-N 364.384 2.539 0 1 FFAF COc1cc([C@H]2CC(c3cccc(N)c3)=NN2C(C)=O)cc(OC)c1OC 64373101 HBDLXBJCKNAUOT-QGZVFWFLSA-N 369.421 2.992 0 1 FFAF Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)n[nH]1 66112691 NXDNERZXWCKICJ-UHFFFAOYSA-N 352.423 2.985 0 1 FFAF O=C1c2cc3ncn(CCc4ccccc4)c(=O)c3cc2O[C@@H]2CCCN12 72141069 XXILVUHHNWDTFE-LJQANCHMSA-N 361.401 2.594 0 1 FFAF COc1cc(CNc2nc(N3CCCN(C)CC3)ncc2C)cc(OC)c1 82202837 WRKCJTMQCNNXIN-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 199267486 GNCMHKZURMGBHQ-HOCLYGCPSA-N 366.483 2.707 0 3 FFAF COc1cc(OC)c2c(c1CO)CCN1Cc3cc4c(cc3C[C@@H]21)OCO4 84689821 LWALVAIUQVPRLX-INIZCTEOSA-N 369.417 2.580 0 1 FFAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccccc3F)cc21 84596685 DLVKLHDMQFKKCT-UHFFFAOYSA-N 351.384 2.642 0 1 FFAF O=C(C1CC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95568969 SUIBKFBZOYMXIB-GLQYFDAESA-N 351.244 2.535 0 1 FFAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2cccc(N)n2)c1 95921091 ISEYRPTZYRJQPZ-APWZRJJASA-N 369.513 2.510 0 1 FFAF in-vitro CC(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)CC(C)(C)C)C2)C1 96168927 RBQFNOWQOYXDSH-MRXNPFEDSA-N 373.497 2.833 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 587824377 BJJKMSCBPGRHCK-FUXNSRLFSA-N 370.218 2.772 0 1 FFAF COC(=O)c1cc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1OC 586906689 GFJZJJOPHWHHLO-SNVBAGLBSA-N 354.362 2.939 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-n4cnnc4)c1C)[C@@H](C2)C3=O 587429257 AIAWGNYGDJRIRQ-KXBFYZLASA-N 350.378 2.505 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 586930709 WAFGFKMODJCOBB-UHFFFAOYSA-N 353.806 2.788 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586881274 VKQNDOAEKITFBF-ZHACJKMWSA-N 371.418 2.682 0 1 FFAF C[C@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582759 QUMINLAUTLIHOT-VQIMIIECSA-N 351.362 2.794 0 1 FFAF CS(=O)(=O)N1CCC[C@H]1[C@@H](O)Cn1c2ccccc2c2ccccc21 148392048 FWZDIPOPXIIHLD-OALUTQOASA-N 358.463 2.579 0 1 FFAF O=C1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CCN1 12072326 DLQMKGRNBLZTGM-UHFFFAOYSA-N 369.808 2.644 0 1 FFAF C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 15219765 SUVZUTHVKIBYOH-SGTLLEGYSA-N 358.401 2.852 0 1 FFAF biogenic Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169296755 YKLKQIKUUSJQGC-VTUFONIJSA-N 365.429 2.652 0 1 FFAF C[C@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 169303764 MVTNSOOORIFBMO-QOWREQOWSA-N 354.244 2.508 0 1 FFAF O=C(Nc1cccnc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4123844 KGLYIRXSMIVVTN-DACLVMHWSA-N 359.385 2.645 0 1 FFAF Cc1ccc2oc(=O)c3cc(C(=O)N4CCC(C(N)=O)CC4)sc3c2c1 4176206 UTXMFSBMGYLPSO-UHFFFAOYSA-N 370.430 2.654 0 1 FFAF CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 4612160 YHIPHJQGXRCDFI-LSDHHAIUSA-N 368.499 2.549 0 1 FFAF COc1ccc(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)cc1 8475020 MMYSHCSVOHRGJF-UHFFFAOYSA-N 350.378 2.601 0 3 FFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61927067 QDASGXPJIOSTRZ-JOCHJYFZSA-N 368.477 2.774 0 3 FFAF CCOC(=O)[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)C(C)C 27556648 BPEQADKRCAEKGB-CQSZACIVSA-N 350.802 2.708 0 1 FFAF Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1 21289168 NSTUOVNEBPHBFU-UHFFFAOYSA-N 364.453 2.821 0 1 FFAF COc1ccc([C@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64453792 VPOACCMJRTVHJX-XHSDSOJGSA-N 356.472 2.967 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 2356467225 HNPBJGUAULGPHG-UHOFOFEASA-N 366.417 2.959 0 1 FFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@](C)(CCC(=O)O)[C@H](CO)[C@@H](O)C3 2356656812 YNMLSPGNWXNXLY-ZQURVJRFSA-N 364.482 2.943 0 1 FFAF O[C@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(CC2CC2)C1 2356847046 OTDLWYJTQXSGAD-ZFWWWQNUSA-N 351.809 2.971 0 1 FFAF CN(C)C(=O)c1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1 49036898 BLZGWSJJEQYETJ-UHFFFAOYSA-N 365.477 2.785 0 1 FFAF c1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 43065146 ZZMNWJVJUKMZJY-TUGJPZLJSA-N 370.357 2.883 0 1 FFAF in-man Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]n5)n4)CCC3)cc2)cn1 149883222 UENRBCFYEMUGJH-UHFFFAOYSA-N 359.393 2.969 0 1 FFAF CN(c1cc(F)c(C#N)c(F)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141928013 WKDQVWPLHFDQBK-LLVKDONJSA-N 354.364 2.823 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1 253671811 LVSNRIKAZSXEPP-REPLKXPHSA-N 371.525 2.760 0 1 FFAF C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 261129738 KWZLOWWEGAEOPZ-OXQOHEQNSA-N 374.506 2.870 0 1 FFAF C[C@@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336145 JDZHNIMPCFMEOA-QUCCMNQESA-N 366.348 2.889 0 1 FFAF O=C1C[C@]2(C=C(CN3CCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 587512508 DPONBCASDDRPHY-QFIPXVFZSA-N 367.445 2.848 0 1 FFAF COCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599734 ZNMUWRFAWACDKF-YLJYHZDGSA-N 372.373 2.692 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 587041179 DUHFIGKXIPZDBR-SSDOTTSWSA-N 370.276 2.687 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 587392828 DOLUAAIFNKLPSE-CVEARBPZSA-N 362.426 2.547 0 1 FFAF CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)sc2n1)c1ccc(F)cc1 584905302 QUGAOEHDZBIECQ-UHFFFAOYSA-N 374.441 2.590 0 1 FFAF in-vitro COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 16041014 USVQTBRALIYHON-GOSISDBHSA-N 351.406 2.751 0 1 FFAF biogenic CC(C)([C@H](O)Cn1c2ccccc2c2ccccc21)N1CCCS1(=O)=O 148515869 CYDIKPGNIKDBOC-LJQANCHMSA-N 372.490 2.970 0 1 FFAF CCSc1ncc(CN2CC[C@]3(CCCN(CCOC)C3)C2)cn1 12089971 IDNLWDWCWPAONE-SFHVURJKSA-N 350.532 2.523 0 1 FFAF Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)sc21 13672771 ILJUQIULFPJEAZ-UHFFFAOYSA-N 362.838 2.676 0 1 FFAF N=C(N)c1ccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)CCC3)cc1 13782915 QZWBJRINIZUQSO-INIZCTEOSA-N 366.421 2.814 0 1 FFAF C[C@@H]1CC(=O)[C@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 14969744 FYLCZEUNDKNEIK-DQXGLKHCSA-N 360.406 2.614 0 1 FFAF Cc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1 4981868 ODQVCTDOLQYJHK-UHFFFAOYSA-N 359.470 2.803 0 3 FFAF CC(=O)Nc1cccc(NC(=O)COc2ccc3c(=O)ccoc3c2)c1 1857571637 GYHAXXXAVVCWIX-UHFFFAOYSA-N 352.346 2.769 0 1 FFAF CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C(=O)OC)C(C)C 3895991 BIODKAMHLHVLIO-BHIOZNAESA-N 368.518 2.657 0 1 FFAF CCOc1c(S(=O)(=O)CC)ccc(C(=O)c2c(C)ncn2O)c1Cl 103205328 ZZGALUOTCAIANV-UHFFFAOYSA-N 372.830 2.506 0 1 FFAF Nc1nc(N)c2cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2n1 59720559 RIIVNXDZGURJGW-UHFFFAOYSA-N 369.233 2.934 0 1 FFAF COc1ccc(N2C(=O)CS[C@@H]2c2ccc(S(C)(=O)=O)cc2)cc1 28955034 WZFFYRKWUPDJEW-QGZVFWFLSA-N 363.460 2.877 0 1 FFAF NCC(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73224687 ATTHXSDEYWOIFR-FQEVSTJZSA-N 361.445 2.855 0 1 FFAF COc1ccc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2)cc1O 14760205 PRIGOKTXLDIGNF-CABCVRRESA-N 358.390 2.689 0 1 FFAF biogenic CCOc1ccc(CCNc2nc(N(C)CCN(C)C)ncc2C)cc1 82202589 AVPVUIKIZRBYTQ-UHFFFAOYSA-N 357.502 2.836 0 1 FFAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25429217 ZPFALMVSMKETRX-AZUAARDMSA-N 371.525 2.777 0 1 FFAF biogenic COc1ccc2cnn(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c2c1 95602647 MUDBEIVJVOJXOK-UHFFFAOYSA-N 364.409 2.834 0 1 FFAF CN1C(=O)N(CC(F)F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565357 ZCNKEWXABWZPAD-NSHDSACASA-N 366.195 2.611 0 1 FFAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCCC3)c21 96021151 RLCYQGRXARRNJH-INIZCTEOSA-N 358.463 2.569 0 3 FFAF Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)c1 263620854 OQBGPKGYCQBCOV-UHFFFAOYSA-N 364.453 2.508 0 1 FFAF in-vitro COC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 587173795 JMBHJTKWKAHMHL-SFHVURJKSA-N 355.325 2.512 0 1 FFAF COCCO[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659243 ZFHUWPDCWNELQS-ZDUSSCGKSA-N 370.380 2.894 0 1 FFAF CN(C)CCOc1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586925693 ITAAFHAQXIJPPK-UHFFFAOYSA-N 359.451 2.574 0 1 FFAF Nc1ncccc1Cc1nc2cccc(I)c2[nH]1 587253852 MCBUIEOPORHSFC-UHFFFAOYSA-N 350.163 2.736 0 1 FFAF COc1ccc(Cl)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587651152 DTEJITAPQYMJTO-UHFFFAOYSA-N 350.161 2.795 0 1 FFAF COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587609580 NXJXYRRGACQCQK-QFBILLFUSA-N 356.374 2.918 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(C)cn1 587870166 XFWPBSUTQSZJCI-UHFFFAOYSA-N 365.315 2.818 0 1 FFAF CC(=O)OCc1csc([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962898903 MVUPUAFAYGJZOA-MAUKXSAKSA-N 363.410 2.813 0 1 FFAF CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C\C=C/[C@H](O)CCCC(=O)O 1561524857 AOPOCGPBAIARAV-VWNIWTPYSA-N 350.455 2.905 0 1 FFAF CC1=CC(=O)N(Nc2nc(-c3nccs3)nc3sc(C)cc23)C1=O 1772655056 BCSARVYVOITHRT-UHFFFAOYSA-N 357.420 2.765 0 1 FFAF CCC[C@H]1COCCS(=O)(=O)N1Cc1ccc(Br)cc1 15935030 SJJORALRNLAZRM-AWEZNQCLSA-N 362.289 2.780 0 3 FFAF Cc1ccc2c(N)c(C(=O)NCCc3cccc(C(=O)O)c3)sc2n1 1857586133 MQCLQRAMNWTPJL-UHFFFAOYSA-N 355.419 2.858 0 1 FFAF CC1(C)O[C@@]2([C@@H]3C[C@H](CO)C[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@H](N)C2 2356379588 ZVWAIVBUSQDSJF-CGSRYZMKSA-N 373.541 2.736 0 1 FFAF COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1O 58590661 NQAJKERMLQJEAI-UHFFFAOYSA-N 371.393 2.733 0 1 FFAF NC(=O)c1c(N2CCCCC2)nc2sc3cc(Cl)ccc3n2c1=O 103167180 HZYRDOGXUPHFLO-UHFFFAOYSA-N 362.842 2.652 0 1 FFAF CC(=O)N1CCC(N2C(=O)CN=C(c3ccccc3)c3ccccc32)CC1 27745206 VDBDKLBUOVQJGG-UHFFFAOYSA-N 361.445 2.882 0 1 FFAF CC(=O)[C@H]1CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356490899 YVKJIENODNSQSU-DEPSAMCGSA-N 350.499 2.825 0 1 FFAF C[C@H]1Sc2cc(S(=O)(=O)NCCc3ccccc3)ccc2NC1=O 34145519 YYSASLFYHAINHC-GFCCVEGCSA-N 362.476 2.640 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c(OC)c1 74377679 ZQBAFDGYJOUZJZ-SJLPKXTDSA-N 352.390 2.579 0 3 FFAF O=c1cc(O)n(CCc2cccc(Cl)c2)c(=O)n1[C@H]1C[C@H]2CC[C@@H]1C2 96270150 YAGXNBHCULBCFD-LZWOXQAQSA-N 360.841 2.973 0 1 FFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@H]12)[C@H]43 85996962 IKGCNOXJYOBUNZ-GUGJDKNPSA-N 370.493 2.786 0 1 FFAF biogenic CCOC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 473084590 SNBSGSLUOLPOGH-LJQANCHMSA-N 363.417 2.912 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1[nH]cnc1C(=O)O)O2 587396577 MGYFLSMLRJUVIJ-FQEVSTJZSA-N 363.373 2.908 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3c(Cl)ccnc3[nH]2)s1 587023484 CRFRMQOPQQKWDB-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF O=S(=O)(c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1)C(F)(F)F 586891154 NDWIXNBKYCCGAR-ZDUSSCGKSA-N 372.324 2.644 0 1 FFAF CN(C)S(=O)(=O)c1cccc2[nH]c(C(=O)CCc3ccccc3)nc12 587954221 JEVJDPXPFGIEBU-UHFFFAOYSA-N 357.435 2.629 0 1 FFAF COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cn1 587237003 KEHMNVAODPCXCE-UHFFFAOYSA-N 362.430 2.621 0 1 FFAF O=C1C[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 587522028 DLUCAEXWLQLAPJ-PWKYIOIESA-N 355.434 2.742 0 1 FFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587935726 ISNOELDPDYFEDB-HWPZZCPQSA-N 362.407 2.655 0 1 FFAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@@]2(CCOC[C@@H]2F)N1C3 962639413 QJYDWOSVWLAQGJ-GZRFBZBPSA-N 362.445 2.905 0 1 FFAF CC1=C[C@@]2(C(OCC(=O)O)=CN1C)c1ccc(F)cc1C[C@H]1CCCN12 963099271 HAKSASRVJCBWPT-UZLBHIALSA-N 358.413 2.833 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962951850 VBMVQOCXHJICRN-BMIGLBTASA-N 354.410 2.787 0 1 FFAF CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 221074358 CIWHQJBTCNPDOW-RDBSUJKOSA-N 356.359 2.597 0 1 FFAF Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OC/C=C\CO2 169313226 YTERIDFBKZENLC-AXMVSILFSA-N 367.401 2.748 0 1 FFAF CN1[C@H](C[C@H](O)c2ccccc2)C[C@H](O)C[C@H]1C[C@H](O)c1cccc(O)c1 2356329569 HNYUZVZJPPFNLG-FQFSJJOFSA-N 371.477 2.763 0 1 FFAF CN1CC[C@H](n2cc(S(=O)(=O)c3ccccc3F)c3cccnc32)C1 28862208 KJXRVQNIBNKBRN-ZDUSSCGKSA-N 359.426 2.885 0 1 FFAF CN(C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1)c1ccccc1 2356298073 RGVUUWCVYSRCCX-YQVWRLOYSA-N 353.466 2.856 0 1 FFAF CN(C)c1ccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@@H]3C2)cc1 26169752 RATXHXJOHQAQHH-FQEVSTJZSA-N 363.461 2.725 0 1 FFAF O=C1NC(=O)/C(=C/c2ccc(OC[C@H](O)COc3ccccc3)cc2)S1 27208544 PJLZVODMJZTNGZ-AYCSXLNKSA-N 371.414 2.829 0 1 FFAF CC[C@H](Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC)C(C)=O 29325364 STINTIGQRLYQGY-INIZCTEOSA-N 369.893 2.740 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CN(C)CC[C@@H]32)cc(OC)c1OC 26189437 QZGOPRYNEGQTLA-VNQPRFMTSA-N 362.470 2.563 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](CO)COCc2ccccc2)co1 82074270 XEEUKLLDDWTMLT-KRWDZBQOSA-N 366.417 2.958 0 1 FFAF O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95497792 OYKPZOLRWXQBPL-IAGOWNOFSA-N 356.514 2.554 0 1 FFAF COc1cncc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)c1 95564174 ALFPJMUYGSCERP-ZDUSSCGKSA-N 368.441 2.784 0 1 FFAF CC(C)=CCn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21 85647405 UHDXIZKDEGWFRD-HKUYNNGSSA-N 351.450 2.639 0 1 FFAF biogenic O=S1(=O)CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299851635 HNDMAVYDWZHBTK-UHFFFAOYSA-N 360.464 2.742 0 1 FFAF CC(=O)NCCc1ccc(O[C@@H]2C[C@H](O)CO2)cc1-c1cccc(F)c1 653740450 NLXKBIYQZXLZCE-FXAWDEMLSA-N 359.397 2.657 0 1 FFAF COC(=O)[C@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594923 PXCFYORZTLNOTC-ONHSTZBPSA-N 370.357 2.816 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)nc2O)N1 587776018 VMQLKAJSYPJWHJ-MLXNANBUSA-N 368.206 2.587 0 1 FFAF COC(=O)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587438449 FQZZWQORSMDRML-IIBYNOLFSA-N 368.385 2.910 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccnc2[nH]1 587094308 PFOFCPPSOAKWCE-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF Cc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584750 AIKGUDYKYWTOIG-YOEHRIQHSA-N 366.329 2.605 0 1 FFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc[nH]c(=N)c4[nH]3)c2)c1 587234693 IAOVKYKBKXFEKW-UHFFFAOYSA-N 357.417 2.988 0 1 FFAF CC(C)OC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923767 NBDQYTYHASHOSB-UHFFFAOYSA-N 368.480 2.700 0 1 FFAF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1c[nH]c(C(=O)N(C)C)c1 963067736 AFLDJMIONWDQEK-JOCHJYFZSA-N 360.461 2.858 0 1 FFAF CC1=C[C@@]2(C(=O)CN1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962632559 LKZIUFHDMTWSOA-OFNKIYASSA-N 359.473 2.705 0 1 FFAF Cc1cccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)n1 11882276 WOEXLKVXQMBNDL-OAHLLOKOSA-N 364.380 2.720 0 1 FFAF COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2c1 18031566 KBVZYVDFFQIVIW-ATNYCFDYSA-N 350.418 2.835 0 1 FFAF COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CC[C@H]2C(=O)O)cc1 1645052 GHKSNPQGDVIVNH-KRWDZBQOSA-N 355.390 2.869 0 1 FFAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4043504 VPIMZLABNPTKTM-MJGOQNOKSA-N 371.437 2.590 0 1 FFAF Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 4238064 JFOSKEDXIMFAQY-UHFFFAOYSA-N 355.442 2.604 0 1 FFAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O 6484693 YMHBIMMCQPKHPJ-RTBURBONSA-N 360.362 2.749 0 1 FFAF COc1cccc(-c2n[nH]c(SCc3cc(=O)n4oc(C)cc4n3)n2)c1 7007193 OGGBKYZQOWFSND-UHFFFAOYSA-N 369.406 2.682 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 101347016 QWLAPSPAFCSTFN-DOTOQJQBSA-N 374.396 2.951 0 1 FFAF CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCCC2)CCCCC1 8584579 XHNLLSAGTORTJY-UHFFFAOYSA-N 359.470 2.599 0 3 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118917530 JHBBZIAPXDEPET-IBKFOYENSA-N 350.499 2.537 0 1 FFAF CNC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27853244 WPRRIYPYCXHVPK-HUUCEWRRSA-N 366.373 2.680 0 1 FFAF CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O 61921410 XZGYKMZUBZSMIC-HNNXBMFYSA-N 370.359 2.890 0 3 FFAF C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(N)=O)[C@H]2[C@@H]1CC[C@@]34CO 2356544301 KJPPAWUWLMKICL-SEGTVKBXSA-N 358.526 2.707 0 1 FFAF CCCCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1 71294622 FKGPIULOTGOVON-UHFFFAOYSA-N 372.498 2.983 0 1 FFAF COc1ccc([C@H]2c3cc4c(cc3N[C@H]3COC(=O)[C@H]23)OCO4)cc1OC 40475013 REJMVOGSTMMWHW-AGRHKRQWSA-N 369.373 2.532 0 1 FFAF NC(=O)c1cnc(N2CC[C@H](Oc3ccccc3C(F)(F)F)C2)s1 49033138 NDZZWAAUFMRWHJ-VIFPVBQESA-N 357.357 2.919 0 1 FFAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 85618313 LAFREGHROJJWDK-SVIJTADQSA-N 368.385 2.910 0 1 FFAF biogenic,in-vitro CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@]3(C)O)CC1 45366541 KKMHJHIDMHNWKZ-HXUWFJFHSA-N 356.397 2.575 0 1 FFAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@H]1C=CC[C@@]32O 238767203 WUBXYSOSMBAKEM-XGVHXEIDSA-N 358.390 2.534 0 1 FFAF CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O 95092844 OEVCPKKGZOPKST-LDBYXDLTSA-N 362.466 2.999 0 1 FFAF biogenic O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 653680470 PQOKBQCVPUXWDC-YXWQFLTLSA-N 368.481 2.902 0 1 FFAF CNc1nc(Nc2cnn([C@@H](CC(N)=O)C3CCCC3)c2)ncc1Cl 653843532 VJJDIEPOEQJVRH-ZDUSSCGKSA-N 363.853 2.719 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1 586936739 USAOKWKMKPWFOD-UHFFFAOYSA-N 358.345 2.662 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(Cn1cnc4ccccc4c1=O)[C@@H](C2)C3=O 587442213 HWBCYDMKNUTHJC-YCRPNKLZSA-N 362.385 2.611 0 1 FFAF CCOC(=O)Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587516629 DLWHAHVUQJBYAF-FQEVSTJZSA-N 369.421 2.601 0 1 FFAF O=S(=O)(NCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)nc1 586943089 VGEGNNWKKNAMCN-UHFFFAOYSA-N 371.249 2.786 0 1 FFAF CC(C)(C)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2n1 586929098 BDHKBONSYJBRPH-UHFFFAOYSA-N 358.467 2.688 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1(C)OCCO1 587868244 XYASGTYGFRYBKF-UHFFFAOYSA-N 371.315 2.766 0 1 FFAF CC(C)OC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923642 BWWKMWCMLSBNJX-UHFFFAOYSA-N 354.453 2.676 0 1 FFAF O=C1C[C@@H](c2nc3ccc(CO)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150946 VVRNAWVIDQFCKV-CYBMUJFWSA-N 357.360 2.850 0 1 FFAF COc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 587094914 WIWAGEIQQRQEGS-CYBMUJFWSA-N 358.345 2.724 0 1 FFAF CN(C)c1ncccc1-c1nc2ncc(I)cc2[nH]1 587195842 KXDAOIKIEGMACD-UHFFFAOYSA-N 365.178 2.691 0 1 FFAF O=C(O)CCCCCCc1c(O)[nH]c(=O)n1CC[C@H](O)C1CCCCC1 169692540 JDDDZFYKFFEAGW-INIZCTEOSA-N 368.474 2.791 0 1 FFAF COc1cccc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1 1857591582 GLJYIZOUAYKZNJ-UHFFFAOYSA-N 352.369 2.749 0 1 FFAF CC[C@@H](C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857607799 XZROHBHHMGXQFO-CYBMUJFWSA-N 352.398 2.735 0 1 FFAF CCN(CC)CCN=c1[nH]cnc2ccc(-c3ccc(OC)nc3)cc12 1857616301 RCRUGDVJAQTZMY-UHFFFAOYSA-N 351.454 2.876 0 1 FFAF Cc1ccc([C@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857631142 ZRWAOZKJVCOIFW-HNNXBMFYSA-N 353.330 2.505 0 1 FFAF COc1ccc(CNC[C@@H]2Cn3c(-c4ccccc4)cnc3CO2)cn1 2356324328 IZJDVCFBCHKEII-QGZVFWFLSA-N 350.422 2.642 0 1 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3)cc1 3810232 ZNGZDOVQBYPJEY-GFCCVEGCSA-N 351.406 2.803 0 1 FFAF CCc1cc2c(s1)N(CC(=O)OC)C(=O)CN=C2c1ccccc1OC 4169339 LJPMGGAOWNUDQG-UHFFFAOYSA-N 372.446 2.676 0 3 FFAF O=C(NC1C[C@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1)c1ccco1 100984319 XZMLWTGLERKORL-HZPDHXFCSA-N 374.462 2.784 0 1 FFAF CN(C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 27420810 ZYWARZTXEGATKB-UHFFFAOYSA-N 367.858 2.835 0 1 FFAF CC=C(C)C(=O)O[C@H]1[C@H](O)[C@@](C)(O)CCC[C@@H](C)CC[C@H]1C(C)(C)O 2356416361 QWQGNRPTPFJNKA-AOJZQBIQSA-N 356.503 2.964 0 1 FFAF CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@H]2C[C@H]([C@@H]13)[C@@]12C[C@@H](OC)[C@H]3C[C@]41[C@H]2C3=O 2356520376 KTRDIFVAXQUGKI-LEIOXVGHSA-N 371.521 2.752 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5cccnc45)C[C@H]3C2)n1 116824252 YJTCYUPZJYYZLO-HDICACEKSA-N 373.460 2.850 0 1 FFAF CC[C@]12CCCN3C(=O)C[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 14829280 YGSZHGCBNWBWPD-PCCBWWKXSA-N 352.434 2.972 0 1 FFAF biogenic COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@]1(O)C=CO[C@H]1O4 13374601 SHQCFFLCIPXBLN-ZWKOTPCHSA-N 374.732 2.764 0 1 FFAF biogenic CNC[C@H](Cc1cc(Br)c(OC)c(Br)c1)OC 13450558 SEBDGFAFHGCJNV-VIFPVBQESA-N 367.081 2.997 0 1 FFAF biogenic CCOC(=O)/C=C/c1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O 1911584824 RAVORUYEYALLKT-XBXARRHUSA-N 364.332 2.646 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc1OC 14610097 MKWAWTRNIPHOLB-SMHULIPUSA-N 368.385 2.910 0 1 FFAF biogenic O[C@@H](CO[C@@H]1CCN(c2ccccc2)C1)CN1CCc2ccccc2C1 220891443 NJJSVLOISQQQMO-FGZHOGPDSA-N 352.478 2.701 0 1 FFAF Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1cccc(Cl)c1 43119926 NXVYLUHXXCIUGG-UHFFFAOYSA-N 364.810 2.862 0 1 FFAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 95577350 AYTPIZNIIKGNSC-GOSISDBHSA-N 371.462 2.934 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO 95911316 HSTQCNXDHJXHRV-TZAMQBEDSA-N 360.406 2.614 0 1 FFAF biogenic,in-vitro O=c1[nH]c([C@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1 145051550 IVFWFHHENYUJLU-KBPBESRZSA-N 351.410 2.527 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)[C@@H]4CCOC4)ncc23)ccn1 261154879 PSILBFLVNYZSEA-TZMCWYRMSA-N 366.425 2.875 0 1 FFAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CN4C(=O)NC(C)(C)C4=O)cc32)C1 299846385 QRVMHQDXGODYND-HDJSIYSDSA-N 354.454 2.806 0 1 FFAF O=C(c1ccsc1)N1CCO[C@H]2CN(Cc3ccccn3)CC[C@@H]2C1 299843440 RQJYMJDEJDOJCE-QAPCUYQASA-N 357.479 2.506 0 1 FFAF COc1cc(/C=C/C(=O)OCc2cc(OC)c(O)c(OC)c2)ccc1O 653915954 GLFHONIJKHQLPL-FNORWQNLSA-N 360.362 2.880 0 1 FFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587230492 HFEHEFNUPINLNU-VXGBXAGGSA-N 350.850 2.956 0 1 FFAF CC(C)OC(=O)C1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(F)(F)C1 587131412 GVZBTKZTDJJWTJ-GFCCVEGCSA-N 352.341 2.905 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 586939383 NQMQPCCVYVAXMY-ZDUSSCGKSA-N 373.478 2.842 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCN(C)CC2)N1 587764089 BZAMEBMFVJLCEB-YVEFUNNKSA-N 370.310 2.585 0 1 FFAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587070623 TWVXTJKBJXMPPR-UHFFFAOYSA-N 350.783 2.888 0 1 FFAF CCCCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586889125 JNSUOOZRYLKDOP-VIFPVBQESA-N 371.231 2.882 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NS(C)(=O)=O)cc1)O2 587407595 AUQYWIRCIWWYGY-SFHVURJKSA-N 360.435 2.829 0 1 FFAF Cc1cc(C)n(-c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nn2)n1 587652399 DFUHRUSSGUVXFJ-UHFFFAOYSA-N 352.785 2.632 0 1 FFAF C[C@H]1C[C@@H](C)C[C@@H](O)[C@H]1[C@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 5810758 JPYMPXICULCYPW-FVLOEODISA-N 359.466 2.750 0 1 FFAF Cc1nc2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)ccc2s1 12752054 QHJLDKXLACSCSM-AWEZNQCLSA-N 353.451 2.794 0 1 FFAF COc1cc(C[C@@H]2CNC(=N)NC2=N)cc(OC)c1OCc1ccccc1 13757766 SYIHNGNHJAJYQL-OAHLLOKOSA-N 368.437 2.546 0 1 FFAF CC(C)O[P@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857547609 PEQTVDTVQHQBMY-QFIPXVFZSA-N 355.352 2.656 0 1 FFAF COc1cccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)c1 1857571423 GHCXLAZHSOXLIF-LJQANCHMSA-N 374.343 2.623 0 1 FFAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccccc1Cl 7551131 CNNGSDCPEPMUQT-HNNXBMFYSA-N 366.801 2.718 0 3 FFAF O=C([C@H]1C[C@@H]1c1ccc(-c2cn[nH]c2)cc1)N1CCN(C2CCC2)CC1 113838425 GCWXDIAMYKKYOJ-UXHICEINSA-N 350.466 2.877 0 1 FFAF CC(C)NC[C@@H](O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 26019678 GSYRQGVSSCQGOF-CYBMUJFWSA-N 368.275 2.501 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NCc2cn(C)c3ccccc23)cc1 2356616405 VWFVJDSPVKKJKD-QESAQDPVSA-N 366.461 2.554 0 1 FFAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)C(=O)N3CCC[C@H]3C[C@H]12 2356793597 KPUOUTYIIZSZJR-AHFZBALESA-N 365.433 2.887 0 1 FFAF CC1=C[C](N)N(CC(=O)c2ccc(I)cc2)C=C1 2356817636 STASKKCJXHQCNA-UHFFFAOYSA-N 353.183 2.698 0 1 FFAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ccccn1)C2 226074996 AYASHCNJGVARKM-LESCRADOSA-N 360.421 2.520 0 1 FFAF COc1ccccc1NC(=S)Nc1nnc(SCC(=O)O)s1 653721739 KCWTZOWEGKJENR-UHFFFAOYSA-N 356.454 2.532 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cncc(Cl)c3[nH]2)s1 587024341 WBYHPHMATJKARD-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF CCCC1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCC1 586877773 OWVMVWYMNLTMIJ-UHFFFAOYSA-N 370.497 2.535 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587858457 QUUMKQRYUQKKBO-IIRLODAESA-N 374.275 2.996 0 1 FFAF O=C(O)CCC(=O)NC[C@]1(c2ccccc2)NCCc2cc(Cl)ccc21 963389840 DCEJENRRVKWHTC-HXUWFJFHSA-N 372.852 2.710 0 1 FFAF CCOC(=O)c1c([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cnn1C 962618270 CAZGSVRRFVHXAY-SJKOYZFVSA-N 373.453 2.580 0 1 FFAF C[C@@H]1C[C@H](O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 17188096 JPYMPXICULCYPW-NSOYYKSDSA-N 359.466 2.750 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1C 169299321 LPCKYGOUPHLYKM-VMGHMQSFSA-N 365.429 2.652 0 1 FFAF Clc1ccc(-n2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)nn2)cc1 1857536924 LREWLGGGDPZZHZ-UHFFFAOYSA-N 363.812 2.814 0 1 FFAF Oc1ncnc2c(-n3cc(C4CCN(CC5CCC5)CC4)cn3)nccc12 1857575373 FQYVJQRHNLIPIK-UHFFFAOYSA-N 364.453 2.896 0 1 FFAF N=c1ccc(-c2nn([C@@H]3CCc4ccccc4C3)c3ncnc(N)c23)c[nH]1 1857762468 IQQBAGSHZZQVKD-OAHLLOKOSA-N 357.421 2.613 0 1 FFAF Cn1cc(-c2ccc(-c3cncc4ccc(S(N)(=O)=O)cc34)cc2)cn1 584639819 VGQVYKSVLZIXPH-UHFFFAOYSA-N 364.430 2.950 0 1 FFAF Cc1cc2nc(CO[C@H]3CN(C4CCN(C)CC4)C[C@@H]3F)[nH]c2cc1C 2356331323 YZLZPCKZBQNMED-LPHOPBHVSA-N 360.477 2.813 0 1 FFAF O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4823295 RIMRKDGYTXWJAT-HGSJOUDDSA-N 365.414 2.707 0 1 FFAF C[C@]1(O)CCN(Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288473 DZYCLQIUDITBAR-ONTIZHBOSA-N 365.477 2.674 0 1 FFAF O=C(O)C1=C(/C=C/c2ccc(O)cc2)NC(=S)N[C@@H]1c1ccc(O)cc1 103187825 ACOSXDAQEQNHHE-DFIVBLOKSA-N 368.414 2.669 0 1 FFAF CCC(=O)[C@H](C)Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC 29336375 SCZOBUCEGRITKJ-LBPRGKRZSA-N 369.893 2.740 0 1 FFAF O=C(Nc1cc2ccccc2cc1OCCCO)c1cnn2cccnc12 113652879 ODRWFGHJQFOXRE-UHFFFAOYSA-N 362.389 2.896 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1CCc2ccccc21 2356828623 IJHMJOPMAYTVHD-MSOLQXFVSA-N 356.466 2.789 0 1 FFAF COc1ccc2c(c1O)C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 14442104 LWPLPJQNBQQUKR-HKUYNNGSSA-N 369.373 2.570 0 1 FFAF biogenic O=C(c1cccnc1F)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273568 KRLKCIZEBPFNDM-RTBURBONSA-N 354.425 2.644 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)[C@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 253966487 AALLCALQGXXWNA-OYARTPDYSA-N 358.390 2.533 0 1 FFAF C[C@@H]1CCCN(C(=O)C2=Cc3cc(Br)ccc3S2(=O)=O)C1 473157269 UYKYPECRBGYJQN-SNVBAGLBSA-N 370.268 2.836 0 1 FFAF CCOC(=O)Cc1ccccc1NC(=O)c1sc2[nH]cnc(=O)c2c1C 653713166 MFLNREODASSGPE-UHFFFAOYSA-N 371.418 2.651 0 1 FFAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(=N)[nH]cc2[nH]1 587112096 GVOWORBXLHFHMC-MRXNPFEDSA-N 363.343 2.789 0 1 FFAF C[C@@H](Cn1cncn1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923922 SBHUJKFMLWGBLH-NSHDSACASA-N 363.468 2.577 0 1 FFAF Nc1cc(Br)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1N 587136977 ZVUMGUNYVNNWDP-UHFFFAOYSA-N 365.162 2.994 0 1 FFAF CCOC(=O)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582138 KENFAVFJPNPROQ-JXFKEZNVSA-N 369.373 2.955 0 1 FFAF N[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F 587154827 SETYIIUZQHSNQR-KKSFZXQISA-N 366.440 2.876 0 1 FFAF CC1=C[C@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582158 KIJSGMMJTBVNLZ-FXAWDEMLSA-N 351.358 2.859 0 1 FFAF O=[S@](Cc1nc2cccc(I)c2[nH]1)CC1CC1 586958877 JTQHUGHVBBFGSH-KRWDZBQOSA-N 360.220 2.826 0 1 FFAF CCS(=O)(=O)NCCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586944044 NLEBJCMKJXQTPI-UHFFFAOYSA-N 371.462 2.666 0 1 FFAF COc1cc2c(cc1OC)[C@@](CNC=O)(c1ccccc1)N(C)[C@H](C)C2 962637260 WCVIAPWRHXHWBQ-QVKFZJNVSA-N 354.450 2.570 0 1 FFAF C=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3 5618733 JWUUZXOHPRFBRM-WXBNGGQCSA-N 360.406 2.634 0 1 FFAF biogenic C[C@@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 17188128 BQTZQFAWZXWIHI-UYELDUJUSA-N 357.450 2.959 0 1 FFAF CN(C)C(=O)Oc1cccc2c1cc(C(=O)NC1CCCCC1)c[n+]2C 1857536474 KUPGBDOWCRCWEO-UHFFFAOYSA-O 356.446 2.787 0 1 FFAF CCCCN1C(=O)c2cccc3c(NC(=O)CNCCCCN)ccc1c23 1857538361 OTPYQDOLSUXGRS-UHFFFAOYSA-N 368.481 2.867 0 1 FFAF CNCCC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857614397 KNFNDAAIWGEOTB-UHFFFAOYSA-N 373.507 2.614 0 1 FFAF Cc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1 4034764 TXPDPZAZCHGKMB-UHFFFAOYSA-N 354.406 2.915 0 3 FFAF CCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 4533548 VJNLGMWQPLGEQF-QZTJIDSGSA-N 370.449 2.996 0 1 FFAF COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 29130749 UNBNSJUASFZVIX-UHFFFAOYSA-N 356.378 2.867 0 1 FFAF O=C(NCc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1 117727960 IAKWVQYWHFPJTJ-OAHLLOKOSA-N 365.355 2.691 0 1 FFAF CN(C)CCCN1C(=O)c2cccc3c2c(cc2nc(N)sc23)C1=O 28342409 NBMMDDVSBAADSR-UHFFFAOYSA-N 354.435 2.579 0 1 FFAF CC[C@@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 73403685 LUPCHAFIKZSOOK-JMSVASOKSA-N 373.482 2.565 0 1 FFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@H]2C(=O)CO 73035237 RHQQHZQUAMFINJ-CGTPKBALSA-N 350.499 2.538 0 1 FFAF Cc1c[nH]cc(C(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1=O 221488255 SZOVVQDAANPUTI-CHHVJCJISA-N 360.373 2.756 0 1 FFAF CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2n1 221714784 YTPFAWUHOBXMNJ-UHFFFAOYSA-N 351.410 2.588 0 1 FFAF CCC(=O)N(Cc1ccc(OC)cc1)c1cc(F)cc(-c2nnn[nH]2)c1 84712412 LJKCZUMCQHFZTF-UHFFFAOYSA-N 355.373 2.958 0 1 FFAF Cc1csc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1 223524055 XXHIJVMVCVSYRS-UHFFFAOYSA-N 352.504 2.583 0 1 FFAF CCOC(=O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2ccccc21 95560794 JVLXRIZMKNHSRM-UHFFFAOYSA-N 358.438 2.619 0 1 FFAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CC2)CC1 95865935 YXQVCGOYCKFFHW-GOSISDBHSA-N 369.509 2.567 0 1 FFAF C1=C(c2cnn([C@@H]3CCOC3)c2)c2c(ccnc2OC2CCOCC2)C1 96176033 GGYMEYWPAAGUBF-MRXNPFEDSA-N 353.422 2.785 0 1 FFAF CC(C)C[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 95898391 PJFGCUVPYCUKFQ-ROUUACIJSA-N 356.470 2.588 0 1 FFAF Cc1cc2nc(C3CCCCC3)c(-c3ccnc(NCCO)n3)cn2n1 299850296 YZQVJRGPDDHJDC-UHFFFAOYSA-N 352.442 2.947 0 1 FFAF O=c1c2cc3c(cc2ncn1C[C@H](O)c1cccc(Cl)c1)OCCO3 653709741 YBIFZUXGQNVNHA-HNNXBMFYSA-N 358.781 2.555 0 1 FFAF COc1ccc(NC(=O)C(=O)c2cn(C[C@H]3CCO3)c3ccccc23)cn1 653786558 VPLXOXHAKKBOBG-CQSZACIVSA-N 365.389 2.655 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)N3CCOCC3)cc1)O2 587399631 LJDULPHDJOQYMJ-IBGZPJMESA-N 366.417 2.756 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)ncc2[nH]1 586961125 FVUBUXPEUMREMC-RXMQYKEDSA-N 367.232 2.652 0 1 FFAF COc1ccccc1CC(=O)c1nc2cc(N3CCN(C)CC3)ccc2[nH]1 587930343 OKQAOKFVVUBIGE-UHFFFAOYSA-N 364.449 2.749 0 1 FFAF Nc1ccc(C(=O)CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587251585 JITRKYKBNOIIGN-UHFFFAOYSA-N 364.449 2.793 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C(C(=O)O)=COc2ccccc21 963602627 ADFDTXGPOQMOMW-XUSGNXJCSA-N 367.401 2.843 0 1 FFAF Cc1cccnc1-n1c([S@@](=O)Cc2ccccc2N)nc2c1CCC2 11687711 TUSMGQTVVLECGY-RUZDIDTESA-N 352.463 2.954 0 1 FFAF CCOC(=O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)c1ccccc1 13807328 SFSXDAXQZZUSLZ-SJORKVTESA-N 370.453 2.888 0 1 FFAF C/C=C(/C)C(=O)O[C@@H](C)[C@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 14589653 RRPAUYJABCIHOM-YIMXGHOLSA-N 350.367 2.926 0 1 FFAF N[C@@H](CC(=O)N1CCc2nc(C3CC3)oc2C1)Cc1cc(F)ccc1F 14949013 PNSBKUPVYFGFQD-CQSZACIVSA-N 361.392 2.675 0 1 FFAF Nc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(F)cc1)CC2 150176456 JKIPXTMWVLJCSE-UHFFFAOYSA-N 366.396 2.839 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 167145763 YQVVLIJZBFRWRE-CALCHBBNSA-N 366.465 2.619 0 1 FFAF CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)SCC(=O)O 1857770213 LGNYWMYKDKMABG-NSHDSACASA-N 361.872 2.536 0 1 FFAF COc1ccc([C@@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)O)cc1 1645055 YETYHCXNYZFWAD-KXBFYZLASA-N 369.373 2.589 0 1 FFAF COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)CC2 3928937 QSNZESAOEGCWHL-INIZCTEOSA-N 363.435 2.678 0 1 FFAF COc1cc2nc3c(c(N)c2cc1OC)C[C@@H](CNC(=O)c1ccco1)C3 27551313 XFNOYNVDQOQPCY-LLVKDONJSA-N 367.405 2.572 0 1 FFAF COc1nccc(NCc2ccc(CNc3ccnc(OC)n3)cc2)n1 72108526 RPAHZCLMQIAVRN-UHFFFAOYSA-N 352.398 2.508 0 1 FFAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NCCO)(C1CCCC1)C(=O)N2 219377057 FNDNIJJWRCWPOB-FQEVSTJZSA-N 355.438 2.878 0 1 FFAF CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(Br)cc1 71341165 WYOAADXIFMPPMO-XJKSGUPXSA-N 367.195 2.553 0 1 FFAF CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205194 FGONBJMMQJLCQM-KRWDZBQOSA-N 370.497 2.915 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 49112602 IACFKHAQKGTVTR-DEEWQJAJSA-N 350.455 2.791 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](C)CN2 82211781 JRLAVDAZQWMKBG-GFCCVEGCSA-N 362.499 2.954 0 1 FFAF O=C(c1cnc(N2CCCCC2)nc1-c1ccccc1)N1CCOCC1 82132653 GFISEMCUDYFSKQ-UHFFFAOYSA-N 352.438 2.606 0 1 FFAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(OC5(C)CC5)nc34)[nH]c21 222351792 DEQPQIXEUNLWAL-SNVBAGLBSA-N 364.405 2.664 0 1 FFAF CC(C)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 82205260 XRUDXAJWZKQLLB-INIZCTEOSA-N 356.470 2.696 0 1 FFAF c1ccc2nc(N3CCN(Cc4ccncc4)CC3)c(NC3CC3)nc2c1 144414102 XEQTZQQOPLCIGS-UHFFFAOYSA-N 360.465 2.921 0 1 FFAF COC(=O)c1cc2c(cc1-c1cc(OC(C)=O)cc3c1N(C)CC3)OCO2 96909156 OGOQNOUXZXBNRN-UHFFFAOYSA-N 369.373 2.787 0 1 FFAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CO[C@@H]1c1cc(F)c(Cl)cc1F 96284064 XIVCZWBCPGNTEN-WKFLNTIRSA-N 354.788 2.514 0 1 FFAF CCC(=O)N1CCc2cc(-c3c[nH]/c(=N\C(=O)c4ccco4)[nH]3)ccc21 95755350 HLQQYZWDSYGFGM-UHFFFAOYSA-N 350.378 2.643 0 1 FFAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473135302 HHHHQHKXHVAJGM-KRWDZBQOSA-N 358.825 2.765 0 1 FFAF COc1ccc(OC)c(Sc2ccc3nnc([C@H]4CCN(C)C4)n3n2)c1 299827660 GVZQFFRWPPGWJK-LBPRGKRZSA-N 371.466 2.712 0 1 FFAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2c(OC)ccc(OC)c21 963634091 JAOSLAVSHBAYAE-XCLFUZPHSA-N 363.454 2.756 0 1 FFAF COC(=CC(=O)O)[C@@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@@]1(C)O 2356447597 XLWNJIRNWLVIGU-AZUAARDMSA-N 372.373 2.590 0 1 FFAF COc1cc2c(cc1OC)C1=[N+](CC2)Cc2c(ccc(OC)c2OC)C1 6018942 RLYNSNXHUUZSQQ-UHFFFAOYSA-N 354.426 2.835 0 1 FFAF Nc1nonc1-c1nc2c(-c3ccccc3)nccc2n1C1CCNCC1 6718923 OLFZIZSWSTWVDA-UHFFFAOYSA-N 361.409 2.655 0 1 FFAF COCCN(Cc1ccco1)C(=O)Nc1cn(C)c(=O)c2ccccc12 6932482 NNCJKGHICDALCR-UHFFFAOYSA-N 355.394 2.812 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(-c3ccc(F)cc3)cnc21 27708779 VBEHPJZLFXBPIN-UHFFFAOYSA-N 361.376 2.950 0 1 FFAF CC(C)(Oc1ccccc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@@H]1C[C@@](C(N)=O)(C2)C3 100387721 WLCAEXHUFPSPGJ-YBZGUASOSA-N 356.466 2.640 0 1 FFAF CCN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C 101248066 DWMYNPYNEFTVSQ-IRXDYDNUSA-N 356.514 2.661 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cn1 2356302313 RHUGYRXXQHNTDP-YOEHRIQHSA-N 357.385 2.971 0 1 FFAF O=C(c1ccc[nH]1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 29057338 IUFBRKBIZKIIDJ-UHFFFAOYSA-N 371.356 2.867 0 1 FFAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@@H]23)C(=O)O1 2356664771 HVBPDPAZGSLRKM-OQKQSEBKSA-N 364.482 2.963 0 1 FFAF COc1cc(OC)nc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 61903028 WMCKFQIELRAHDA-GFCCVEGCSA-N 357.439 2.936 0 3 FFAF COc1ccc(C[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 14642194 AZFMHDQOOUSFJX-WHSLLNHNSA-N 372.417 2.971 0 1 FFAF biogenic CCSCCNc1nc(N2CCN(c3ccccn3)CC2)ncc1C 82203340 SKVFTQPGPZHFMV-UHFFFAOYSA-N 358.515 2.672 0 1 FFAF COc1cc(C(=O)Nc2c(O)[nH]c3ccccc3c2=O)cc(OC)c1OC 84603448 UDAZJKOUTIKOMS-UHFFFAOYSA-N 370.361 2.512 0 1 FFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1CCO 195393157 BGNWPQMCQZSXKT-UBBRYJJRSA-N 371.436 2.898 0 1 FFAF CNc1nc2c(C)ccc3nc(N(C)C)nc-3c2n1CCCCCC(=O)O 140456716 QMIAZHHZMBJLHO-UHFFFAOYSA-N 370.457 2.992 0 1 FFAF CC1(C)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2C(=O)[C@H]1O 140928230 PHNMQYAGHPLDJR-LJQANCHMSA-N 368.341 2.586 0 1 FFAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1[C@H](CO)C(=O)OC 238775561 RGXKJLTVROJBKZ-NFRSLLFCSA-N 354.450 2.815 0 1 FFAF COc1cc2c(cc1O)[C@@H](O)[C@H](c1ccc(OC(C)=O)cc1OC)CO2 238773477 CZKYGETXMUWXNW-IFXJQAMLSA-N 360.362 2.544 0 1 FFAF Cc1nc2cccnc2n2c(-c3cc(OCCCO)ccc3F)nnc12 145714792 OUAAAISZOKXMMO-UHFFFAOYSA-N 353.357 2.548 0 1 FFAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3[C@H](O)[C@H]4[C@@H]5[C@@H]3C[C@H]2[C@H]5[C@H]41 299815478 LDDJTYOWMIGSGF-JSJAGSMMSA-N 356.554 2.976 0 1 FFAF C[C@@H]1CCCCN1C(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473155027 OFZVIHINKHJJFF-SNVBAGLBSA-N 370.268 2.978 0 1 FFAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586951302 WEPPDLMHANAWMJ-UHFFFAOYSA-N 373.434 2.707 0 1 FFAF Nc1ncccc1Cc1nc2ccc(I)cc2[nH]1 587253269 FGDHIDYTPRHTSX-UHFFFAOYSA-N 350.163 2.736 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nn2)N1 587793125 JWYFVBZVVKDHAW-ANRSDYALSA-N 352.207 2.882 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1c(Br)c(C)nn1C)[C@@H](C2)C3=O 587414734 WWLZTPNJOASHDR-QFYYESIMSA-N 363.211 2.988 0 1 FFAF CCN(c1ccc(-c2csc(COC(C)=O)n2)cc1)S(C)(=O)=O 587923537 VIPGKMTXSVJWFL-UHFFFAOYSA-N 354.453 2.659 0 1 FFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 586939558 WHZJNCMNBCLPKM-CQSZACIVSA-N 365.846 2.682 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)cc(C(=O)O)c3[nH]1)C2 587247330 PGVWNECSXGBKEO-LJQANCHMSA-N 355.369 2.752 0 1 FFAF O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587593233 IMGSUGWHIFGLQT-LJVSWFSJSA-N 365.385 2.639 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCc1ccccc1)[C@@H](C2)C3=O 587427526 DHGWZTGFUFDWKO-KKSFZXQISA-N 351.402 2.908 0 1 FFAF COc1cc(CC(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401829 YRPRBGWSRHVKSK-INIZCTEOSA-N 371.389 2.928 0 1 FFAF O=C1COc2cc3[nH]c([C@H]4CS[C@H](Cc5ccccc5)N4)nc3cc2N1 587043108 YEDVJECJSICSKH-CRAIPNDOSA-N 366.446 2.840 0 1 FFAF COc1cc(OC)c2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 169328570 HNPGTGWQOKEROL-UHFFFAOYSA-N 357.458 2.811 0 1 FFAF CC(C)OC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCC2 1857572108 ILORYHJJGMJPEK-UHFFFAOYSA-N 367.540 2.746 0 1 FFAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)c2nn[nH]n2)cc1 1857586614 HUFNFIZSERBVOO-DHDCSXOGSA-N 368.393 2.823 0 1 FFAF CC(=O)N1CC[C@@H](Nc2nccc(-c3c(-c4cccnc4)noc3C)n2)C1 1857774544 MMUNCJCYXCAKSH-OAHLLOKOSA-N 364.409 2.535 0 1 FFAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049243 PTPNDMHGALUWIQ-QUCCMNQESA-N 367.449 2.974 0 1 FFAF CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccccc23)C1 6013356 GRRHCXMSSPAKML-AWEZNQCLSA-N 355.463 2.880 0 1 FFAF CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NC(C)C)c32)cc1 6916276 OVPLDMWUWVONRQ-UHFFFAOYSA-N 366.465 2.891 0 1 FFAF C[C@H]1OCC[C@H]2Oc3ccc(-c4cccnc4F)cc3[C@@]3(COC(N)=N3)[C@H]12 103253295 ZYBCWTRDTPBTDB-ZMTUXBBYSA-N 369.396 2.614 0 1 FFAF Nc1nc(N)c2cc([S@](=O)c3c(F)c(F)cc(F)c3F)ccc2n1 59720576 ASZBQYJPVHEQKI-XMMPIXPASA-N 356.304 2.517 0 1 FFAF O=C(Cc1cn2ccsc2n1)N1CCO[C@H](Cc2ccc(F)cc2)C1 20779638 DHDJFBCRFQIMMZ-MRXNPFEDSA-N 359.426 2.548 0 1 FFAF COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1O 58590678 LXFJECCZBHKBPH-UHFFFAOYSA-N 371.393 2.733 0 1 FFAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3C(=CC=CC(C)(C)O)COC(=O)[C@@H]31)C2 2356567019 CUFNSNQMTXWTPT-BPERIUBUSA-N 364.482 2.759 0 1 FFAF COc1ccccc1OC[C@@H]1SCCN1C(=O)[C@@H](C)SC(C)=O 27561394 ZDURMTKRLUSGIU-ABAIWWIYSA-N 355.481 2.644 0 1 FFAF CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)cc2[nH]1 36177507 RLPOXPBCQLSXLT-LBPRGKRZSA-N 361.854 2.970 0 1 FFAF CC(C)(O)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 410428641 LVMYOUOJYSDZSC-TUVNHJOCSA-N 374.525 2.744 0 1 FFAF world COc1cccc(CNc2nc(N3CCCN(C)CC3)ncc2C)c1OC 82202835 QFALPKHDDJSOAW-UHFFFAOYSA-N 371.485 2.556 0 1 FFAF O=C(NCCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1 49053213 OQMLFRFUQKKZIX-UHFFFAOYSA-N 354.454 2.983 0 1 FFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(=O)C1CC1 222362373 XHSGYWPQERVYAH-UHFFFAOYSA-N 361.405 2.568 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)ON1C 95592670 GCLRKGDBYPDRHM-ZIAGYGMSSA-N 360.322 2.992 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]23CO[C@@](C)(O)[C@H]2CC[C@]13O 255247495 NOZRSQJXQYHBKF-NDZJMUHVSA-N 350.499 2.840 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(N)c1 299834811 CKQZUDRWXIKUGV-UHFFFAOYSA-N 364.785 2.691 0 1 FFAF COc1cc2c(cc1O)[C@@H](O)CN(C)[C@H]2Cc1ccc(OC)c(OC)c1 85838863 MSRVKQUDTFQGOI-RDJZCZTQSA-N 359.422 2.681 0 1 FFAF biogenic Cn1c(CC(=O)n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 587652769 JCWQDFWZZCFLMG-UHFFFAOYSA-N 352.781 2.820 0 1 FFAF CCS(=O)(=O)NCCCc1nc2ccc(Br)c(C)c2[nH]1 586941921 DMFDRRWGJNITES-UHFFFAOYSA-N 360.277 2.506 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(OC)cc3[nH]1)C2 587247386 QSHBDVLXVVZTCP-FQEVSTJZSA-N 353.422 2.932 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 586922074 PZDFCZUGNMWVSB-UHFFFAOYSA-N 369.446 2.832 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(O)CC4)o1)[C@@H](C2)C3=O 587441816 HMGKRZLYEHMQOF-VBKZILBWSA-N 355.390 2.738 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 586920983 AWEXHWNKQFAJIE-UHFFFAOYSA-N 360.435 2.965 0 1 FFAF CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169931 LFMLCHHAXGILCB-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF CCOC(=O)[C@@H]1CCC[C@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962970249 FYTZDQZYTMYRPE-OVSFNBESSA-N 373.783 2.776 0 1 FFAF O=C(NCc1nc2ccccc2s1)[C@@H]1CCN(c2ccccc2)C1=O 11816332 PCHAXMYPYBBAAX-AWEZNQCLSA-N 351.431 2.966 0 1 FFAF COc1cc(C(=O)c2cccc(-c3cncnc3)n2)cc(OC)c1OC 1857544111 KEUDTBVMMOXOFY-UHFFFAOYSA-N 351.362 2.795 0 1 FFAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](C(C)(C)O)CC3)c(=O)c2c1 1857620273 RYAINNDIOWRKLJ-MQMHXKEQSA-N 359.426 2.563 0 1 FFAF CCOc1ccc(OC[C@H](O)CNCCOc2ccccc2OC)cc1 1857633248 SHNSNVCIMLRODG-MRXNPFEDSA-N 361.438 2.502 0 1 FFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1NC(=O)c1nc2ccccc2s1 2356368099 HZUUASWCFWJKDM-OXXUSNJHSA-N 368.458 2.612 0 1 FFAF CC(C)c1nccc(C[C@@H]2[C@H](NCC3CCCCC3)C[C@H](O)[C@H]2CO)n1 2356289338 UBSOOAQPILZKKD-HAGHYFMRSA-N 361.530 2.670 0 1 FFAF CN(C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccco1)c1ccccc1 2356298071 RGVUUWCVYSRCCX-LNLFQRSKSA-N 353.466 2.856 0 1 FFAF CCN(CCCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccccc1 9405766 MXVNRVIHWHENNK-UHFFFAOYSA-N 365.437 2.774 0 1 FFAF CCC[C@@H](C)[C@@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962029 MPNDQUDYRDDDQH-QAPCUYQASA-N 362.470 2.564 0 1 FFAF COc1cc(C)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116822835 HINOQGSKIVQJQS-CALCHBBNSA-N 366.465 2.619 0 1 FFAF O=C(O)/C=C/[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 29254336 LIKFOMLGGHHXAH-SXSDINLZSA-N 361.334 2.630 0 1 FFAF CC(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3[C@H](OC(C)=O)[C@]2(C)[C@@H]1C 2356674658 PWSFKAFOGDABJH-UDTQDLDWSA-N 350.411 2.847 0 1 FFAF COC[C@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@@H]1C)C[C@@H](O)[C@H]2C 2356678468 IGUFYHFJOVSYRH-BPEVXRFPSA-N 350.499 2.680 0 1 FFAF NC(=O)C[S@](=O)Cc1ccccc1-c1ccc(Br)cc1 73387093 NBUKMLQAYFVAIR-FQEVSTJZSA-N 352.253 2.850 0 1 FFAF Cc1sccc1[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O 72183167 AWSZXXRYNSNVQU-IBGZPJMESA-N 363.446 2.544 0 1 FFAF COc1ccc(C[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 14642189 AZFMHDQOOUSFJX-ZOCZFRKYSA-N 372.417 2.971 0 1 FFAF biogenic CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1 45358439 PKRUKJFKTCSMRE-UHFFFAOYSA-N 368.499 2.699 0 1 FFAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(F)cc2)C(=O)O1 40835605 RWDYBCZLECMKMI-HTJTXACHSA-N 350.386 2.867 0 1 FFAF COCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82151215 HPQYCYKTBWQJNR-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@H]1N=C2 140077753 MPEKCHDBHNYAJG-QWHCGFSZSA-N 351.378 2.789 0 1 FFAF O=C(NCCCNc1nc(Nc2cncnc2)ncc1C1CC1)C1CCC1 95559122 KCBFTJPMBBCOID-UHFFFAOYSA-N 367.457 2.606 0 1 FFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2CCc1ccc(Br)cc1 261140417 MYVMDLNNVMLPQJ-VDCFHWTKSA-N 358.279 2.752 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]13COC(=O)C1=CCC[C@@H]32 85669688 HCFZFECEGOZSEN-ILRNBGBRSA-N 358.390 2.534 0 1 FFAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccn2C)N1 587755034 NYVLICSEDVRJKL-ABKXIKBNSA-N 367.218 2.789 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccccc1F)O2 587385138 MDLWOCDUAVNYER-SFHVURJKSA-N 363.410 2.622 0 1 FFAF CCOc1ccccc1[C@@](N)(c1nc2cc(=N)[nH]cc2[nH]1)C(F)(F)F 587091621 GNLKFKMBPMBGCW-OAHLLOKOSA-N 351.332 2.534 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2C1=O 587651481 UXQVDHOGLDCIGY-UHFFFAOYSA-N 354.387 2.680 0 1 FFAF Cc1cc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c(C)n1 587164173 OIYHXNSCMSWZNG-UHFFFAOYSA-N 351.385 2.992 0 1 FFAF CN(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583302 RMXQONUBWJHDGB-KRWDZBQOSA-N 354.406 2.665 0 1 FFAF COc1c[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1=O 587775014 YBDFFCTYYMVHIA-PWJLMRLQSA-N 367.218 2.909 0 1 FFAF COC[C@@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660922 JXQDTKGUQWEXLN-GFCCVEGCSA-N 371.437 2.960 0 1 FFAF COc1cncc(N)c1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587252937 UQACHLZSABHDOM-UHFFFAOYSA-N 372.328 2.509 0 1 FFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 586951532 PYTGNDFYPRTONP-UHFFFAOYSA-N 361.811 2.554 0 1 FFAF Cc1cc2c(O)nc(O)nc2nc1C1CCN(C(=O)OC(C)(C)C)CC1 587557692 LYNULTXPQMVRFA-UHFFFAOYSA-N 360.414 2.859 0 1 FFAF COC(=O)c1cnc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962719503 ZJTNAFWAPNILMK-XIKOKIGWSA-N 373.453 2.855 0 1 FFAF CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cn1)C(N)=O 5498850 KJOUYZYFLMUPBB-QGZVFWFLSA-N 371.437 2.582 0 1 FFAF NC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(Cc1ccccc1)C2 19942301 NIOBNGMTLMWJNK-UHFFFAOYSA-N 355.463 2.754 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169294919 FDKJSJGIAQCACZ-JGFIGGHZSA-N 365.429 2.652 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 169299325 LPCKYGOUPHLYKM-OQTPBVATSA-N 365.429 2.652 0 1 FFAF C[C@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@H]1C(=O)O 169718081 LVYRKTPGSHTFQA-SVIKCVJRSA-N 363.464 2.936 0 1 FFAF O=C(Nc1ccc2c(c1)B(O)OC2)c1c(C(F)(F)F)ccc(Cl)c1F 200598659 NUGMIZCCBJBPOC-UHFFFAOYSA-N 373.498 2.968 0 1 FFAF O=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21 3907414 GPBOKDZHLBJFAG-UHFFFAOYSA-N 359.422 2.592 0 3 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1C[C@@H](O)[C@H](O)C2(C)C 2356401389 BUMAUDJEGAOISB-OMYYQHHGSA-N 354.487 2.733 0 1 FFAF CCO/C(O)=C1\SC[C@H](C(=O)NCc2ccc(OC)cc2)N=C1C 103899849 FXIIKFRDCBJLHT-XEVXXXDWSA-N 350.440 2.651 0 1 FFAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](Cc2ccccn2)O3)S1 26968651 AMTQQJLWTMFLBO-WBVHZDCISA-N 354.431 2.912 0 1 FFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1csc(-c2cnccn2)n1 117717862 ZVLYZQAHGMPBJX-INIZCTEOSA-N 367.434 2.513 0 1 FFAF N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@@H]1C[C@@]1(F)C(=O)O 29124027 HVYIQBGXHPRJMO-UXPWSPDFSA-N 371.364 2.909 0 1 FFAF Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccc2c(c1)C[C@H](C)O2 36719610 WMIIWVPXIYYUEG-AFAVFJNCSA-N 351.450 2.534 0 1 FFAF COc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC 72182385 VLNYVUQPQVEPDW-UHFFFAOYSA-N 370.380 2.657 0 1 FFAF CCOC(=O)C[C@@H]1C[C@@H](n2cc(-c3ccccc3)c3c(N)ncnc32)CN1 40395075 NSBNFOWYPJTLFF-LSDHHAIUSA-N 365.437 2.537 0 1 FFAF CCCCNC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 82072204 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CCCCN(C)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O 14882207 XPFYTYXMWUWHAR-OAQYLSRUSA-N 372.465 2.503 0 1 FFAF O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1N=CC[C@H]1c1ccccc1 1857562806 IIVRDQFOCAQQAZ-AWEZNQCLSA-N 353.344 2.747 0 1 FFAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857570142 HQCCUHUDMYRBGR-UHFFFAOYSA-N 370.453 2.684 0 1 FFAF O=C1NCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857758354 XZZASUAWQQKFQK-CQSZACIVSA-N 359.376 2.849 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1 3606709 BQJXNGJUHADQLZ-UHFFFAOYSA-N 364.373 2.995 0 1 FFAF CC[C@@H](C)[C@@H](NC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1 28114470 VZMCSBFDWDQKHG-RHSMWYFYSA-N 355.438 2.995 0 1 FFAF CC[C@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 101499608 PEBWIYPIKTWOBT-XPZFDQFCSA-N 354.450 2.644 0 1 FFAF COc1ccc(C(=O)NC(CO)CO)cc1/C=C/c1ccc(Cl)cc1 59754799 GBOMYPRPLOPYLH-GORDUTHDSA-N 361.825 2.602 0 1 FFAF Cc1c(N2C[C@@H](C)O[C@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27552392 SHNRRTSPZBPXFF-VXGBXAGGSA-N 356.422 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CCOc1ccc(CCN(CCO)[C@H]2CCCC[C@@H]2O)cc1OCC 261304929 IJYNVBGHMBDWGD-ROUUACIJSA-N 351.487 2.624 0 1 FFAF Cc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 838822 SJLVVNVCCNUXHZ-UHFFFAOYSA-N 356.450 2.645 0 1 FFAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@H](O)[C@H]2CC(=O)Nc1ccccc1 2356316332 XFZLBUZZVUKTDB-MRTPNAOKSA-N 361.482 2.562 0 1 FFAF CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@@H]1C2 2356323890 FWPNUKOTCRYVIK-RLCCDNCMSA-N 353.422 2.554 0 1 FFAF COC(=O)c1nc2n(n1)[C@H](c1ccccc1OC)C1=C(O)CCCC1=N2 102651620 IMVOMHRWYFWRCU-OAHLLOKOSA-N 354.366 2.745 0 1 FFAF N[C@H]1CN(c2cc(-c3cccnc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28823848 MTSSNGDBYNDLCZ-DYVFJYSZSA-N 371.366 2.887 0 1 FFAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@H]4CCC[C@@H]3CN4)c(F)cc2c1=O 9133283 ACJIIVBPBQTKNA-DGCLKSJQSA-N 371.412 2.504 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN[C@@H](C)[C@@]12CC[C@@H]2C 27744343 PERXRZUOQHGJMN-YNRSWSIHSA-N 351.878 2.827 0 1 FFAF COc1ccc(C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1OC 101323978 KRKPKRZYAMBZCV-AWEZNQCLSA-N 356.374 2.959 0 1 FFAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H]4C[C@@H]4[C@H]4[C@H](C2)N(CC2CCC2)CC[C@]314 101344501 FKJWXENQWKBJRW-CSYKZGIYSA-N 367.489 2.751 0 1 FFAF Cc1ccc(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)n1 68247220 KSBNKQQFUBSXJJ-UHFFFAOYSA-N 361.804 2.866 0 1 FFAF CC=C1CNCC[C@@]23c4ccc(OC)cc4N(C)[C@@H]2C=C[C@H]1[C@H]3C(=O)OC 2356569124 IWHCGBPCBYWRBB-ALOBAPJISA-N 368.477 2.666 0 1 FFAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(F)(F)F 29215674 OIVMFCMEYVUVOY-HIFRSBDPSA-N 362.417 2.572 0 1 FFAF Cc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1OC(C)C 28570547 KKCLOXWPHWDQAM-UHFFFAOYSA-N 363.361 2.785 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@@H]1CC[C@H](C2)N1 73198750 FMGVKMYXCXDASO-DYVFJYSZSA-N 367.474 2.943 0 1 FFAF COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 73138491 DRPZFPFMLAERPC-HNAYVOBHSA-N 367.405 2.724 0 1 FFAF COCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82152844 AVKGOQSOYSYOIO-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF Cc1nnc2sc(C(=O)NCc3ccc([S@](C)=O)cc3)c(N)c2c1C 221814075 RQYDGIQNNFKVFJ-VWLOTQADSA-N 374.491 2.558 0 1 FFAF COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(C)c1C 653905718 CHAWXQBQWFYULO-INIZCTEOSA-N 363.483 2.609 0 1 FFAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587589896 YNBIFBUUKNBEIA-MAUKXSAKSA-N 350.330 2.894 0 1 FFAF CNC(=O)[C@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 587233773 AMJRNFJCDIRIHB-RITPCOANSA-N 373.048 2.937 0 1 FFAF O=C1C[C@@]2(C=C(CN3CCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 587512506 DPONBCASDDRPHY-JOCHJYFZSA-N 367.445 2.848 0 1 FFAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)NCCc2cc(Cl)ccc21 963390895 OHMOPPMVJPGQLD-GOSISDBHSA-N 353.846 2.833 0 1 FFAF CC[C@@H]1CCCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 13131642 MHAWMHDJBIBWBV-QAPCUYQASA-N 359.470 2.547 0 3 FFAF aggregator COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4occc4c3O[C@H]1CO2 14450001 KHAJUSVOOGYFIJ-FXAWDEMLSA-N 368.341 2.674 0 1 FFAF biogenic,in-vitro c1cc2c(cc1[C@H]1OC[C@H]3O[C@H](c4ccc5c(c4)OCO5)OC[C@H]31)OCO2 14860019 NMCACWIVSBCZQK-WNISUXOKSA-N 370.357 2.946 0 1 FFAF biogenic Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@@H]3N)cc3c2C(=O)NCC3)c1 1857574019 MCKWNSLSBBIMNO-IRXDYDNUSA-N 365.481 2.523 0 1 FFAF Cc1cc2nc(CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2cc1C 2356328790 HUXAGUKATUZLQH-YJBOKZPZSA-N 357.433 2.652 0 1 FFAF COc1ccc(NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 3905916 HOFGJNIUBPELBO-WRWLIDTKSA-N 352.390 2.662 0 1 FFAF COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@@H]2CCCCO2)c2ccccc21 103200249 HSKFKYVDOPZTIM-LHSJRXKWSA-N 366.417 2.684 0 1 FFAF O=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1cnn2cccnc12 113651579 XIKQAWXSCGBFFT-UHFFFAOYSA-N 371.828 2.766 0 1 FFAF CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccco1 28893259 DMMSKMHDDUWAIT-BETUJISGSA-N 358.346 2.925 0 1 FFAF FCCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21 68245922 ZRTUGMRLPXGKGZ-UHFFFAOYSA-N 355.417 2.945 0 1 FFAF c1ccc(-c2cn([C@@H]3CO[C@@H]4[C@H](NCC5CCCCC5)CO[C@@H]43)nn2)cc1 2356816707 DEBLZMCUHNOXES-XRXFAXGQSA-N 368.481 2.822 0 1 FFAF COc1cc(N2CC(NC(=O)c3ccc4onc(C)c4c3)C2)c(Cl)cn1 1911574808 NHDATPWRJVYWLV-UHFFFAOYSA-N 372.812 2.812 0 1 FFAF COc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)ccc1-c1cn[nH]c1 221714333 KIEIVVQNVJKJFB-BFUOFWGJSA-N 351.406 2.937 0 1 FFAF CC(C)C(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 96924146 SHSYAIAWGXLBNQ-UHFFFAOYSA-N 373.526 2.717 0 1 FFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 148296717 KQSYLMFIQXXHQD-HNNXBMFYSA-N 358.463 2.581 0 1 FFAF CCC(C)(C)C(=O)N1CCN(c2noc(-c3ccccc3OC)n2)CC1 299834594 KAFPLMUUOLVFDN-UHFFFAOYSA-N 358.442 2.830 0 1 FFAF CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N 653672872 OKDLCUWJUVASGN-GJZGRUSLSA-N 367.453 2.763 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587450346 TXZPDRWROWZYRW-KXBFYZLASA-N 373.430 2.730 0 1 FFAF CCOC(=O)Cc1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587094295 OYJPNPTZUZLCIR-VIFPVBQESA-N 357.332 2.798 0 1 FFAF N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1COC1 587256209 ZUAFHPIXIPOYTA-SECBINFHSA-N 350.138 2.990 0 1 FFAF CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427354 DFTBOQIVWKBEHO-VVUGWJFESA-N 353.418 2.955 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CCCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O 587452254 NRMOXGKMGMOGNX-YWZLYKJASA-N 370.426 2.906 0 1 FFAF COc1cc(-c2nc3ccc(C)nc3[nH]2)ccc1OCC(=O)NC(C)C 587221222 UKHIHAHYDHTSCQ-UHFFFAOYSA-N 354.410 2.845 0 1 FFAF CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 587397057 RIJLHUFDAFJPSA-FQEVSTJZSA-N 365.389 2.877 0 1 FFAF COc1ccc2c(c1)OCC[C@H]2[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963473268 SNMISERFLDSARU-SYNHAJSKSA-N 369.417 2.916 0 1 FFAF COC(=O)c1ccc2nc([C@]3(C)c4ccsc4CCN3C(N)=O)[nH]c2c1 962716564 WTFYWAYOPILJEQ-SFHVURJKSA-N 370.434 2.611 0 1 FFAF COc1ccc(C[C@@H]2[C@@H](O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 14642306 FDXPFHFRXMBVEU-QYWGDWMGSA-N 372.417 2.799 0 1 FFAF endogenous,in-man O=C1NC2(CCCCC2)n2c1c(Cl)cc(N=c1cc[nH]cc1F)c2=O 1857589196 CWUHWURRJXDZRD-UHFFFAOYSA-N 362.792 2.562 0 1 FFAF CCOc1ccc([C@@H]2c3c(N)nc(SC)nc3N=C3COC(=O)[C@@H]32)cc1 1857613301 FMSAEQPDVWDQSW-STQMWFEESA-N 370.434 2.570 0 1 FFAF CC1CCN(Cc2no[n+]([O-])c2-c2ccc(Br)cc2)CC1 1857756866 UNKXMAGNASRVDL-UHFFFAOYSA-N 352.232 2.969 0 1 FFAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 1656449 OHRKKMFZDUDWQZ-ZACQAIPSSA-N 369.465 2.686 0 1 FFAF CCC(=O)C[C@@H]1C(C)(C)CCC[C@]1(C)[C@]1(O)CC[C@@](C)([C@@H](O)CO)O1 2356331737 OJZVKDPZYTWJHP-JVJLKXRTSA-N 356.503 2.799 0 1 FFAF Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCSCC2)cc1 57613893 KVVOJXFKKJUPJS-GOSISDBHSA-N 369.469 2.999 0 3 FFAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(N(C)C)cc1 2356458069 FLIUGFLPGWNTCS-ZJOUEHCJSA-N 372.557 2.535 0 1 FFAF COc1ccc2nc(C[C@@H]3CN(CC4CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305748 CFZHGUFVESMBFX-HUUCEWRRSA-N 357.454 2.937 0 1 FFAF CONC(=O)c1cccc(NC(=O)Cc2cccc(Br)c2)c1 27518607 VEAJHWSLRBMLFV-UHFFFAOYSA-N 363.211 2.922 0 1 FFAF C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(Cl)cc2)N1)c1ccccc1 38147791 PYNYAFHIUYHOCC-KKXDTOCCSA-N 372.852 2.644 0 1 FFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OC)nc12 135709779 JTJGFFMMLFGUCS-UHFFFAOYSA-N 367.388 2.531 0 1 FFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 147396451 SWNDMOZYPNNKSE-OTVXOJSOSA-N 364.471 2.647 0 1 FFAF Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 143447289 AFPYUOYYEJVSQQ-SFHVURJKSA-N 373.334 2.965 0 1 FFAF CCNC(=O)Nc1cc(-c2cccnc2)c(C(=O)Nc2nccs2)cn1 299830820 PKZNGTXURVSDRW-UHFFFAOYSA-N 368.422 2.994 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@@H]1C(=O)OCC)CC2=O 587480781 WGUMZAYPKYODQB-FOIQADDNSA-N 361.438 2.564 0 1 FFAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCN(C)CC1 587623566 JNUFHDLELCUFKT-UHFFFAOYSA-N 362.275 2.863 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)N3CCOCC3)cc1)O2 587399632 LJDULPHDJOQYMJ-LJQANCHMSA-N 366.417 2.756 0 1 FFAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1ccc2c(O)nc(O)nc2n1 587368256 FGCXMGWJQOHFJG-CYBMUJFWSA-N 373.796 2.979 0 1 FFAF C[C@H](Oc1ccc2c(c1)OCO2)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652103 KYODTIAIJKNCDF-JTQLQIEISA-N 372.764 2.886 0 1 FFAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H]2N 587388514 CJNDGAXYBPSKIN-QRWLVFNGSA-N 354.406 2.859 0 1 FFAF COC(=O)c1cc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1OC 586925253 XYDDYNUZVRDXAA-CMDGGOBGSA-N 372.402 2.803 0 1 FFAF COc1cc(-c2[nH]ncc2CN(C)Cc2cc(C)[nH]n2)cc(OC)c1OC 12306127 OADWYJIRTLYXRT-UHFFFAOYSA-N 371.441 2.766 0 3 FFAF CC(C)[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759694 KXEUYTNRQFJGCI-GFCCVEGCSA-N 359.480 2.706 0 1 FFAF CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169343996 XXYXPBFLSNTPKS-DMFDPQPSSA-N 369.461 2.529 0 1 FFAF CCCCS(=O)(=O)C(c1nc2ccccc2[nH]1)S(=O)(=O)CCCC 169687375 RTGHFSIIZIJGNZ-UHFFFAOYSA-N 372.512 2.991 0 1 FFAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)o1 1857649011 QTWIOCLYEVHSLI-OXQOHEQNSA-N 363.417 2.638 0 1 FFAF COc1cc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)cc(OC)c1OC 1369736 DPZUOKSTXUEZST-IRXDYDNUSA-N 374.481 2.990 0 1 FFAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCO 2483255 MLVZWHOCBVOECF-UHFFFAOYSA-N 356.353 2.878 0 1 FFAF COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)O[C@@H]2OC 2356322744 AMLFQHRHSBHKQM-SFHVURJKSA-N 350.367 2.878 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]14C[C@@H](c1ccco1)OC4=O)[C@]23CO 2356647146 CKRQCQUCYGKPKV-ACZMWMRQSA-N 360.406 2.614 0 1 FFAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]14C[C@H](c1ccco1)OC4=O)[C@]23CO 2356647149 CKRQCQUCYGKPKV-YAKZEXIDSA-N 360.406 2.614 0 1 FFAF O=C1Nc2ccccc2[C@]1(O)Cc1cncc(Cc2c[nH]c3ccccc23)n1 2356819131 DZHDNSKQSGLWTF-JOCHJYFZSA-N 370.412 2.931 0 1 FFAF CC(C)[C@@]12C=C[C@](C)(O)CC[C@H](O)[C@](C)(O)CCC=C(CC1)C(=O)O2 2356823670 GNLWSSKGSXRXRI-NBYUQASBSA-N 352.471 2.638 0 1 FFAF COCC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 66167328 JHDLIVFVWCDTHY-CQSZACIVSA-N 352.434 2.741 0 1 FFAF CC(C)(O)[C@@H]1Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 13379879 ZBVQSGGQLPHKKZ-WBVHZDCISA-N 356.374 2.879 0 1 FFAF biogenic N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(O)cc1 1911570633 ITUDEFHNDCBDQI-MRXNPFEDSA-N 353.249 2.928 0 1 FFAF COc1ccc2c(c1)CN1C(=O)N(CCc3ccccc3)S(=O)(=O)C[C@@H]21 96020189 QLRZZDSVVMQXEN-SFHVURJKSA-N 372.446 2.560 0 3 FFAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=C[C@@H]1O[C@@H]1[C@H]32 95914496 DHKHOBTXWBNDOQ-AZMQIILFSA-N 356.374 2.551 0 1 FFAF biogenic,in-vitro Cc1cc(C)nc(Nc2cc(N[C@H](C)c3ncc[nH]3)cnc2C(N)=O)c1 299859958 IQNQCFVVBVLBQR-GFCCVEGCSA-N 351.414 2.832 0 1 FFAF N[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOC1 587248063 BJPRKLLBXOADBS-NSHDSACASA-N 366.137 2.798 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c4oc(=N)[nH]c4c1)[C@@H](C2)C3=O 587434778 ZPIKXNAPQVEFEW-APPDUMDISA-N 352.346 2.746 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)nc2O)N1 587776017 VMQLKAJSYPJWHJ-KWKYVRJSSA-N 368.206 2.587 0 1 FFAF COCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587790318 FVUFZWBGUHNDKW-QLJPJBMISA-N 374.250 2.917 0 1 FFAF O=C(O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009207 XEZQCSYFXFHJPB-UHFFFAOYSA-N 358.155 2.733 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(N)=O)c(Cl)c1)[C@@H](C2)C3=O 587421103 SIDASXNKBIUMPD-HXPMCKFVSA-N 373.792 2.701 0 1 FFAF O=C(O)CNc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587510471 HDRNKIJQNDCZNC-MRXNPFEDSA-N 353.378 2.558 0 1 FFAF Cc1cc(-c2nc3ncncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123203 BZSTZQSOFCTPTO-UHFFFAOYSA-N 357.317 2.590 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2N)N1 587748344 WIOKLDXSMXUGGW-GLEZIHRCSA-N 351.223 2.758 0 1 FFAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cc(C(=O)O)[nH]n1 963281259 QZVDRWWMMCKIGW-HNNXBMFYSA-N 350.216 2.622 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C=C1CN(C(=O)OC(C)(C)C)C1)NCC2 962927036 DHANFITUWOVLMI-GOSISDBHSA-N 371.481 2.752 0 1 FFAF CCCN(CCC)Cc1cn(-c2cc(NC(=S)NCC)ncn2)cn1 1772606971 OLKNAMLUPSCWCC-UHFFFAOYSA-N 361.519 2.591 0 1 FFAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1 13761835 OKOUBBVDQFHAAG-UHFFFAOYSA-N 368.340 2.601 0 1 FFAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N=C(N(C)C)NC(=N)N2)cc1 1857534788 LDQGSFAIPFCHBM-LJQANCHMSA-N 373.464 2.891 0 1 FFAF COC(=O)C[C@H](CCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1 1487527 CUWCNEISAWREFU-HNNXBMFYSA-N 367.453 2.556 0 1 FFAF CCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356322165 AECRFOBLAOZFPX-KRZXBLKESA-N 368.514 2.967 0 1 FFAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(O)c(OC)c2)N1 3136031 BGCTZYDFAWJFDE-MAUKXSAKSA-N 352.390 2.659 0 1 FFAF COc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1 4238267 ILCYVPYPZLVQGV-UHFFFAOYSA-N 350.403 2.972 0 1 FFAF COC(=O)N1CC=C[C@@]1(C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1 7992753 CJPYQWRKBOACCR-HNNXBMFYSA-N 360.307 2.858 0 3 FFAF O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@H]1CCCCC1=O 103215814 XRLYVYAEKOVFKZ-LBPRGKRZSA-N 365.238 2.956 0 1 FFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CC[C@H](C3)N4C)cc21 100951388 HQUQHIFQRKPXQT-CHWSQXEVSA-N 373.428 2.532 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@]2(C)CO)ccc1O 2356507770 GXYBSMORDFHHIO-RTWAWAEBSA-N 372.417 2.799 0 1 FFAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356574270 SWVDHUZTLUXSGL-CDTXLSKESA-N 364.526 2.783 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(C)c(Br)cc(O)c1OC 64436705 JBTWIOSSOYSZSK-NSHDSACASA-N 371.275 2.686 0 1 FFAF O[C@H](c1ccccc1)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 64527326 HHWGAUPNJVJTKG-YCRPNKLZSA-N 359.433 2.556 0 1 FFAF O[C@@H](COc1cccc(-c2cnccn2)c1)CN1CCc2ccccc2C1 219737489 MXCZIEDIZSAYIF-HXUWFJFHSA-N 361.445 2.942 0 1 FFAF C[C@H](NS(=O)(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1 43205418 ZVFVOMFIUGHFMF-LUYJPIOASA-N 364.442 2.917 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@H]21 34172520 KRFXWKURJSADKH-OUERMZRPSA-N 350.455 2.551 0 1 FFAF CC/C=C\CCCCC[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094944 PKPXVGIKUXUYEF-QVOWHETESA-O 358.499 2.747 0 1 FFAF in-vitro COc1cc([C@@H]2C[C@@]2(CO)C(=O)Nc2ccccc2)cc(OC)c1OC 95596740 QOJRMWXYWWUAQY-YWZLYKJASA-N 357.406 2.817 0 1 FFAF COc1ccc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@H]32)cc1 299843220 ONIGBRIMDFICMS-NJDAHSKKSA-N 360.498 2.539 0 1 FFAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587108993 KNOCAROPLWKICH-UHFFFAOYSA-N 374.282 2.923 0 1 FFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2N1 587125644 SHIYNKBEZRFIOB-CPCISQLKSA-N 364.331 2.833 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCN1C(=O)c3ccccc3C1=O)O2 587392692 VVJCLMVXCAIQRE-CYBMUJFWSA-N 364.401 2.987 0 1 FFAF COc1cnc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1Cl 587065564 RZQRORNTHJEKNQ-UHFFFAOYSA-N 366.830 2.537 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 586931146 WRMAJVSZJVHFEU-UHFFFAOYSA-N 365.846 2.655 0 1 FFAF CN(C)c1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514337 WNNSVSFCXXIPII-QFIPXVFZSA-N 367.445 2.803 0 1 FFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587013135 IIGWWYVWHKGMPK-UHFFFAOYSA-N 357.483 2.884 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ncc[nH]c-2n1 586999613 AMXBWXZTDQVDOQ-NSHDSACASA-N 357.215 2.791 0 1 FFAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587068727 CFMLUXJYYBPTON-NSHDSACASA-N 365.842 2.748 0 1 FFAF CCOC(=O)c1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963524278 KRRGZANDNBFKIL-KKSFZXQISA-N 369.417 2.740 0 1 FFAF COc1ccc([C@@H]2NCCc3nc4ccccn4c32)nc1Br 962981159 DPVDRQNXLIPWOT-AWEZNQCLSA-N 359.227 2.736 0 1 FFAF O=C(NCC1CC1)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1 206016946 ORPMWEKFWGPEKR-UHFFFAOYSA-N 374.441 2.864 0 3 FFAF CC(=O)N1CCC(Cn2cnc3scc(-c4ccoc4)c3c2=O)CC1 1772581394 SZKROCCORUBPNX-UHFFFAOYSA-N 357.435 2.977 0 1 FFAF O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1cccs1 13492641 QPGDAWXUXPPUCI-UHFFFAOYSA-N 374.809 2.517 0 1 FFAF CCn1cc(C)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21 150168150 FMRRDKHCBMCCHR-HXUWFJFHSA-N 353.422 2.817 0 1 FFAF CC(=O)c1cc(NC(=O)CC(C)C)ccc1OC[C@H](O)CNC(C)C 169334080 CYSAWFUTDVMFAG-MRXNPFEDSA-N 350.459 2.612 0 1 FFAF C[C@H](CCc1ccccc1)N1C=N[C@@H]2C(=O)NC(Cc3ccccc3)=N[C@H]21 1857554383 BMJQYCDFXMASJJ-CZAAIQMYSA-N 360.461 2.817 0 1 FFAF CC[C@]12C=CCN3CC[C@@]4(C5=C(NC4=C(C(=O)OC)C1)C(O)=CCC5)[C@H]32 2356414320 JCNWTKLAHXIPKZ-HKBOAZHASA-N 354.450 2.937 0 1 FFAF Cn1cccc1C(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)C2 3955852 TYPYWSGVSKXIMC-UHFFFAOYSA-N 352.438 2.795 0 1 FFAF O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2cc(O)ccc2o1 103271646 LENJKKMOMGFSIW-UHFFFAOYSA-N 353.309 2.797 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccccc3F)ccnc21 27709551 GUNJXHQMLCSLHG-UHFFFAOYSA-N 361.376 2.950 0 1 FFAF COCCNC(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 61896295 YZNBIMBJYFTFOM-HNNXBMFYSA-N 358.438 2.746 0 3 FFAF COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=O)CO)cc1 28636953 BSVDRLIMYPYVRE-UWJYYQICSA-N 366.417 2.546 0 1 FFAF C[C@@H]1C(=O)N(C(=O)C2CCC2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29472978 RDGPTFKTYANQHR-JQFCIGGWSA-N 356.422 2.571 0 1 FFAF CC[C@H]1C[C@H]2N3CCc4c([nH]c5ccc(O)cc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356445606 HTMUFGIESLRLGP-VTLCXCFZSA-N 354.450 2.961 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@]14COC(=O)[C@H]1C=C[C@H](O3)[C@H]42 2356500009 MIKHBQGTXJCMIO-YOSIWLQUSA-N 356.374 2.551 0 1 FFAF COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCSC3)cn(C3CC3)c12 1911575464 MKQWJMDKEBQHEF-UHFFFAOYSA-N 366.389 2.770 0 1 FFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@H](O)C1 34104846 PGWURUYAKNYOPM-SUMWQHHRSA-N 367.401 2.651 0 1 FFAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205694 CRJAKYIGQGACQD-HZPDHXFCSA-N 354.454 2.941 0 1 FFAF O=c1[nH]nc(Cc2ccc(F)c(CNC3CCOCC3)c2)c2c1CCCC2 139500463 NFLHTMCUZUFAJB-UHFFFAOYSA-N 371.456 2.647 0 1 FFAF NC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2 82152064 CLDWONFNPPHGLD-MRXNPFEDSA-N 365.368 2.915 0 1 FFAF COc1cc(C(=O)O)ccc1Oc1cc(C(=O)O)c(C(=O)O)cc1OC 238748811 XFGBDKNBYXCIAX-UHFFFAOYSA-N 362.290 2.591 0 1 FFAF CCOc1c(Br)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 299838219 MJUQUPCXAWLBJZ-UHFFFAOYSA-N 373.272 2.955 0 1 FFAF C[C@@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1ccccc1O 299828929 SMJRVISIMGPMFJ-HVTWWXFQSA-N 355.390 2.599 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(F)cc21 587384745 OGEMDRLYNKWSIR-IBGZPJMESA-N 355.321 2.938 0 1 FFAF C[C@@H](F)[C@@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 587126764 YJGAQLVPJAMQCK-NQXXGFSBSA-N 352.005 2.841 0 1 FFAF COC(=O)c1cc2nc([C@]3(N)CCOC3)[nH]c2c(F)c1Nc1ccccc1 587248387 OPNWDNXNLDQLCM-IBGZPJMESA-N 370.384 2.807 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 587828601 PCFXVCQOIKZCDL-FHWAHIKESA-N 366.230 2.914 0 1 FFAF C[C@]1(c2csnn2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698854 CZFPGWHTXGEBDH-GWCFXTLKSA-N 361.320 2.558 0 1 FFAF COc1ccc(F)c(C[C@@]2(CCC(=O)NCc3ccco3)CCC(=O)N2)c1 12041237 OQEUFJBYJHHHMS-HXUWFJFHSA-N 374.412 2.715 0 1 FFAF O=C(O)c1c(=O)c2cc(F)c(N3CCCC3)c3c2n2c(csc12)CO3 150580007 HYUVLEMKVWSDAT-UHFFFAOYSA-N 360.366 2.844 0 1 FFAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 169687166 HHFOUSLXYUKTRS-RTBURBONSA-N 374.396 2.869 0 1 FFAF CC[C@@H]1Cc2cc(OCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857656392 OEFTWGNHWKMKKW-CYBMUJFWSA-N 373.405 2.755 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356379641 CTPIEAJSDCCWDH-YOEHRIQHSA-N 356.401 2.706 0 1 FFAF CC[C@@H](O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590204 YQGYBEZOIPYJAP-QGZVFWFLSA-N 371.441 2.937 0 1 FFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H]1CCCO1 29322475 NZOKUUUJIFFZKA-ZDUSSCGKSA-N 369.893 2.552 0 1 FFAF O=C1c2c(c(=O)n3nccc3n2Cc2ccccc2)CN1C1CCCCC1 29416597 KHZWGRLUYXZUQZ-UHFFFAOYSA-N 362.433 2.833 0 1 FFAF Cc1sc2nc(S[C@@H](C(=O)O)c3ccccc3)n(N)c(=O)c2c1C 38987156 QZDXSQCVDPXGBD-GFCCVEGCSA-N 361.448 2.707 0 1 FFAF Cc1ccc(N(C)S(=O)(=O)c2ccc3cc(C(=O)O)n(O)c3c2)cc1 73166118 XGFTYPXWHKACEC-UHFFFAOYSA-N 360.391 2.710 0 1 FFAF O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccc(F)c1 40639891 PGDHKRYSZHNTQA-TZIWHRDSSA-N 355.409 2.699 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1 40861142 ZYITZPCUXXBBIN-JTQLQIEISA-N 362.430 2.527 0 1 FFAF CC(C)Oc1cc2c(-c3cc(N4CC[C@H](CO)C4)ncn3)n[nH]c2cc1F 225563147 RFZLEAWSLSTBDE-LBPRGKRZSA-N 371.416 2.765 0 1 FFAF COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c(=O)n1CC2 238785184 OEZUDSZJRGNKAH-UHFFFAOYSA-N 353.374 2.956 0 1 FFAF CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccccc3)s2)CC1 98084605 WXTAMZFSUJUAOJ-UHFFFAOYSA-N 372.538 2.990 0 1 FFAF COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)nn1-c1ccccc1F 587157212 YAPIBMDCUBBZIZ-UHFFFAOYSA-N 374.426 2.931 0 1 FFAF CN(Cc1nc2cc(Cl)cc(F)c2[nH]1)S(=O)(=O)c1cccnc1 586929513 XBDLCNOEJLCNPP-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF COC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587832472 CAPNIFDNVFHKPY-KJRLAJNESA-N 372.234 2.527 0 1 FFAF C=CC(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587243398 FOGXQWMSKVWPRR-UHFFFAOYSA-N 370.434 2.605 0 1 FFAF Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1F 586942528 NQCCUGWYNJJKES-UHFFFAOYSA-N 368.821 2.580 0 1 FFAF Cc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Cl 586929106 RSEDSXSINKJMLW-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587784815 JTHVBXSSVJQASG-CHWSQXEVSA-N 363.373 2.837 0 1 FFAF CCOC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792168 ARKWQCBIZCMAQX-XXFAHNHDSA-N 372.234 2.860 0 1 FFAF Cc1cc2c(cc1O)[C@@H](c1cccn1C(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963465234 AGEBFYMLUMQVOF-YOEHRIQHSA-N 372.421 2.974 0 1 FFAF CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO 13635030 RZSLEXUHXSIRRI-WFXMLNOXSA-N 359.466 2.994 0 3 FFAF Cn1ncc(C(=O)N2CCC(Nc3cnnc4ccccc34)CC2)c1Cl 169351293 RILBPRVFDAEKQH-UHFFFAOYSA-N 370.844 2.733 0 1 FFAF CCCS(=O)(=O)Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166698113 OXPFYNZICUPLKZ-UHFFFAOYSA-N 360.439 2.781 0 1 FFAF COc1ccc(CNC(=N)[C@@H]2CCC(=O)N2Cc2ccc(OC)cc2)cc1 1857550336 LNUDHSMLDLDAAJ-IBGZPJMESA-N 367.449 2.962 0 1 FFAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H](c2ccco2)NC(=O)N1 1857553020 KGNSMARXGPQOLA-QMMMGPOBSA-N 372.221 2.944 0 1 FFAF O=c1n(-c2cccc(F)c2)cc2nc(O)n(Cc3ccc(Cl)cc3)n12 1857583969 VGIOJIANNSKDLV-UHFFFAOYSA-N 358.760 2.833 0 1 FFAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cnccc4C)cccn3[nH]1)C2 1857637158 AULOAVZJTAZLNW-INIZCTEOSA-N 373.464 2.707 0 1 FFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc(O)c2)cc1 58574912 NWVMSONPZXJTBP-FQEVSTJZSA-N 360.413 2.886 0 1 FFAF O=C1C=C(Sc2nc3ccccc3c(=O)n2-c2ccccc2)C(=O)N=N1 103169241 YURWJPLSHAUZAY-UHFFFAOYSA-N 362.370 2.881 0 1 FFAF Cc1c(OCc2ccccc2)ccc2c(=O)nc(N3CCOCC3)oc12 28713167 BSARSUPJJKVZIL-UHFFFAOYSA-N 352.390 2.912 0 1 FFAF O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F 28090031 QSPNIFCMJNJFGP-UHFFFAOYSA-N 369.253 2.738 0 1 FFAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]25 2356675417 UWJUSKOAJYNKFW-URHZTHFWSA-N 366.417 2.774 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H]2OC(=O)[C@H](C)[C@H]2C(=O)C1 2356745359 UWAIXFGHQNPRSB-VVVZZGCQSA-N 350.455 2.798 0 1 FFAF C[C@@H]1CC[C@H]([C@H](C)CC[C@@H](O)[C@@](C)(O)CO)c2cc(C(=O)O)cc(O)c21 2356849251 PUHUHJOKQKBQHX-LWVZVZPBSA-N 366.454 2.592 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc1OC 6761950 MKWAWTRNIPHOLB-GBLZOACLSA-N 368.385 2.910 0 1 FFAF biogenic COc1ccc(-c2c(C)nc3c(N4CC[C@@H](N)C4)cc(C)nn23)cc1OC 1911577716 YJKOIUFYQNEFNG-OAHLLOKOSA-N 367.453 2.568 0 1 FFAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 14760211 NWFYESYCEQICQP-HOTGVXAUSA-N 372.417 2.992 0 1 FFAF biogenic C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207277 YIIFBNWSRWJHCN-ZDUSSCGKSA-N 374.460 2.860 0 1 FFAF O=C(O)Cc1ccn(-c2cncc(-n3nc(Cl)c4ccccc43)n2)c1 84670230 AHSXYHSELQONKX-UHFFFAOYSA-N 353.769 2.887 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 40954411 GEQVVCLGCINCDF-YLJYHZDGSA-N 373.449 2.829 0 1 FFAF Cc1cccc(CN2CC(C(=O)NCc3ccc(F)cc3)=C(O)C2=O)c1 40933196 VBABKYLQRJYLCP-UHFFFAOYSA-N 354.381 2.605 0 1 FFAF Nc1nc2c3c(Cl)cccc3nc(Cc3ccc4c(c3)OCO4)n2n1 142985440 YVQAXDKMZDHIHC-UHFFFAOYSA-N 353.769 2.833 0 1 FFAF COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1O 473125517 QPXDJAQCABFFAR-LBPRGKRZSA-N 374.389 2.861 0 1 FFAF COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Cl 586940285 ZARSKJIRXIOUMP-UHFFFAOYSA-N 368.846 2.907 0 1 FFAF O=C(O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185773 XNNKRBOQPZDAEB-UHFFFAOYSA-N 365.130 2.928 0 1 FFAF Cc1cc[nH]c1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772610658 PCBZVIYHOAKNRE-UHFFFAOYSA-N 363.421 2.818 0 1 FFAF COCC(=O)Nc1cc(C)cn(Cc2cccc(C(F)(F)F)c2)c1=O 5000933 MAWCSGNZMOHYLL-UHFFFAOYSA-N 354.328 2.809 0 3 FFAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccn3c2C#N)cc(-n2nc(C)nc2C)n1 209356285 OYUQKJXOYYQVTM-HUUCEWRRSA-N 370.420 2.773 0 1 FFAF C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CC[C@H](C3)N4C)cc21 101336328 GUFZCQOYIKWMOS-CHWSQXEVSA-N 371.412 2.612 0 1 FFAF NS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)nc2)cc1 27099497 XOOYTUZPZGWGDX-UHFFFAOYSA-N 369.233 2.889 0 1 FFAF Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NC[C@@H]1CCCO1 20415988 VETVLGUOZWOFKL-KRWDZBQOSA-N 350.422 2.880 0 1 FFAF CC(=O)NCCNc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1C 61897645 CDPGBYRQEMONOD-UHFFFAOYSA-N 356.451 2.518 0 3 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](N)C[C@H]2C(=O)N3)cc1 2356810757 BBDQMFJYEKMDSS-KDOFPFPSSA-N 367.474 2.960 0 1 FFAF N[C@@H](Cc1ccccc1Cl)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O 84687797 YZJJGLKIRARWCK-INIZCTEOSA-N 368.824 2.599 0 1 FFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@@H](O)C1 144752482 WSMVTDZAYFZQIP-XIKOKIGWSA-N 363.335 2.672 0 1 FFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(C3CC3)no2)n1 142078524 WJWKZWMICAWIME-ZYHUDNBSSA-N 358.402 2.891 0 1 FFAF COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 96914128 UOWWWPYFAPQMPE-OAHLLOKOSA-N 354.406 2.985 0 1 FFAF C[C@@H]1CC[C@@H](Oc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 299852577 UWUSTDOJYDMOBR-HZPDHXFCSA-N 363.421 2.734 0 1 FFAF Cc1ccc(-c2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cs2)o1 587016138 HCQLEQHDNOTAIE-UHFFFAOYSA-N 360.420 2.902 0 1 FFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cncn1 587391848 OYJKXPQKIOULLG-IBGZPJMESA-N 364.405 2.932 0 1 FFAF O=C1C[C@@H](c2cnc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587518302 FFNUYHOIOMDJEP-IBGZPJMESA-N 365.433 2.899 0 1 FFAF N=c1nc(O)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c[nH]1 587253317 HAGFLPFJRRXVEE-UHFFFAOYSA-N 374.120 2.919 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c4c(c1)OCCO4)[C@@H](C2)C3=O 587454085 RNEXFWUXZVJQMY-ORAYPTAESA-N 354.358 2.964 0 1 FFAF O=C(CSC(=S)N1CCCC1)n1ncc2ccc(Cl)cc2c1=O 587655132 SICCOWXEPKTQJQ-UHFFFAOYSA-N 367.883 2.804 0 1 FFAF COc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1Cl 586929941 JQLYGLPLGWYIGP-UHFFFAOYSA-N 351.815 2.680 0 1 FFAF NC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984631 TZJCMSMUWMYHMS-LBPRGKRZSA-N 359.227 2.667 0 1 FFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963126953 YDHOKZGYQZOZIS-UAGQMJEPSA-N 355.265 2.838 0 1 FFAF Nc1cc(NC(=O)NC(=O)c2ccc(F)cc2Cl)ccc1C(=O)O 13673962 SFZAYPRJKCBSPL-UHFFFAOYSA-N 351.721 2.721 0 1 FFAF COC(=O)C[C@@H](CCc1cccc(C(=N)N)c1)c1cccc(C(=N)N)c1 13776585 BJHNYPYYKUGEQS-OAHLLOKOSA-N 352.438 2.534 0 1 FFAF Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1 150012697 TYLDFVKABDWJAS-ZDUSSCGKSA-N 353.195 2.783 0 1 FFAF Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 150260530 GVXCAUGQVPJPQN-MRXNPFEDSA-N 351.189 2.988 0 1 FFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cncnc3)C[C@H]2CS1 169708457 AGVSEJHWLJHZMN-CXMBCZLWSA-N 362.405 2.789 0 1 FFAF O=C(c1csnn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 3956408 ALRBZDXWDOWULI-UHFFFAOYSA-N 363.512 2.513 0 1 FFAF C=C1C=C(C(F)F)n2ncc(C(=O)NCCc3ccccc3OC)c2N1 102901727 AFUFEESALDGYTO-UHFFFAOYSA-N 360.364 2.909 0 1 FFAF Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247017 PWUMXBLOOZZPTL-HAWGAIHRSA-N 362.495 2.972 0 1 FFAF COC(=O)[C@@H]1Cc2ccc(OC)c(c2)Oc2ccc(cc2)CCC(=O)N1 26844986 AXBCCEYICCHJCI-INIZCTEOSA-N 355.390 2.634 0 1 FFAF COc1ccc([C@H]2Oc3c(O)cc(C=CC(=O)O)cc3[C@H]2CO)cc1OC 2356496578 KPVRDBJJSXNPDY-AUUYWEPGSA-N 372.373 2.717 0 1 FFAF O=C(O[C@H]1CN2CCC1CC2)[C@H]1NCc2ccccc2[C@@H]1c1ccccc1 61389373 IGCKSKSSHBPKHO-FKBYEOEOSA-N 362.473 2.928 0 3 FFAF in-man COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 40670192 ZGINMMAZDQRTDJ-RYLVMJBMSA-N 353.462 2.960 0 1 FFAF CCCN1CC(F)(F)c2cc(S(=O)(=O)N3CCC[C@H]3COC)ccc21 40953922 KCHNTZFCEGVIAE-ZDUSSCGKSA-N 374.453 2.808 0 1 FFAF NC(=O)c1cnn2c1N(C(=O)Nc1ccccc1F)[C@@H](c1ccccc1)C2 84541519 UEDXKKSIMOYNOB-MRXNPFEDSA-N 365.368 2.915 0 1 FFAF C1=C[C@@H]2N=CC[C@@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 45352490 NJAMOMUODHNEMA-IRXDYDNUSA-N 362.437 2.561 0 1 FFAF COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 143337690 ACTKFGBVQOWIRY-SFHVURJKSA-N 363.335 2.936 0 1 FFAF O=C1OCCOc2cc(F)ccc2Nc2ncnc3[nH]c4c(c23)C[C@H]1CC4 299840567 VKHJQYZZACIVRB-SNVBAGLBSA-N 368.368 2.881 0 1 FFAF O=c1nc(O)cc(COCc2ccccc2)n1COCc1ccccc1 653850061 HJXWFBLCVGVZRW-UHFFFAOYSA-N 352.390 2.840 0 1 FFAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429371 BUBKWISSIQCCPW-JLTOFOAXSA-N 355.390 2.873 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)n2)N1 587744670 HXWMLAFJVFICLA-GLEZIHRCSA-N 351.223 2.588 0 1 FFAF CCOC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799636 SZRDENPJPGHEQJ-FVMDXXJSSA-N 372.234 2.860 0 1 FFAF COc1nccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587150362 SXCQEBZWDNLWQX-NSHDSACASA-N 358.348 2.761 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SCC1(CO)CO 587412442 CKYUJWFHLXUKQT-FQEVSTJZSA-N 371.458 2.515 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587447515 AYSPFMRMUHXAPG-KXBFYZLASA-N 373.430 2.730 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncccc12 587789405 CIKUUWWNABUBDZ-VPTHRUTESA-N 362.202 2.713 0 1 FFAF COC(=O)C[C@@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962623796 KVROBKJRYACLJC-SPLOXXLWSA-N 370.449 2.782 0 1 FFAF Cc1nc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n(C)c1C 962647883 YUHFZKUMALDWNE-KBPBESRZSA-N 369.343 2.624 0 1 FFAF c1ccc(COC2(OCc3ccccc3)C[C@@H]3O[C@H]2[C@@H]2NN=N[C@@H]32)cc1 17210254 USZKXDLHMKNUDS-OKYOBFRVSA-N 351.406 2.995 0 1 FFAF Cc1cncn1[C@@H](C)C(=O)NCc1cccnc1[C@@H]1CCCN(C)CC1 1857535295 LCFCRUDLPGTLCB-DLBZAZTESA-N 355.486 2.663 0 1 FFAF COc1ccc2c(c1)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1ccc2c(c1)OCO2 1645033 ANZVNOLRPPUMRK-KXBFYZLASA-N 351.358 2.701 0 1 FFAF CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 3814952 KKMWDWUZXFYKLD-UHFFFAOYSA-N 368.441 2.907 0 1 FFAF in-vitro CC1(C)C(=O)c2ccc(Br)cc2[C@@]2(c3cccc[n+]3[O-])O[C@H]12 100022180 UWANTPICMNHWNE-WBVHZDCISA-N 360.207 2.947 0 1 FFAF Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2CCCN(C)C 28102651 POULEDAOLIGKOU-UHFFFAOYSA-N 359.905 2.991 0 1 FFAF COc1ccc(N(Cc2cc(OC)c(OC)c(OC)c2)C(C)=O)cc1O 27760588 JUUHDMZAPOUXFG-UHFFFAOYSA-N 361.394 2.980 0 1 FFAF C[C@H](NC(=O)c1ccccc1SC(=O)Nc1ccc(F)cc1)C(N)=O 27876288 DGDPPIJAEPMLJG-JTQLQIEISA-N 361.398 2.754 0 1 FFAF COC(=O)C1=C2[C@](C)(CC[C@H](OC(C)=O)[C@]2(C)C(=O)OC)c2ccccc21 2356490967 ARQVUVIODPKUNS-RVHYNSKXSA-N 372.417 2.789 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)[C@H](O)C(=O)CC(C)=C[C@H](C)[C@@H](O)C(C)=C[C@H]1C 2356518356 NSIYKHMKVAGRQL-PBMCVFSZSA-N 352.471 2.804 0 1 FFAF C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26007020 ZSZFKFQQLNXTMB-MSOLQXFVSA-N 361.804 2.866 0 1 FFAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C2)O3 36286137 CTKDNRAPWIIIPH-GYDVJCDPSA-N 365.857 2.890 0 1 FFAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2cc3occc3cc2c1=O 71341745 KCPQXMUENVGPJE-MRXNPFEDSA-N 368.345 2.730 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 48998260 IACFKHAQKGTVTR-ZMHZDYMXSA-N 350.455 2.791 0 1 FFAF COc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 263591056 RRKAZXABADNMKD-BZZMCLGOSA-N 358.438 2.711 0 3 FFAF CCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F 299831258 JAEKBGSQUBGXRX-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF O=C(CCn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12 653788995 VLBPOGZUYDPDIQ-UHFFFAOYSA-N 357.377 2.971 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnncc3[nH]2)cc1 587040207 LOUUCYQJZWLUSH-OAHLLOKOSA-N 355.423 2.639 0 1 FFAF CS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166340 BEQSLHHWQCKQLG-HJWRWDBZSA-N 359.382 2.757 0 1 FFAF CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 587559703 LTWOQRUPOYRRLV-JSGCOSHPSA-N 365.389 2.813 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc4cc(N)ccc4o3)[nH]c12 587252605 FVQFIPXSYIGTHK-UHFFFAOYSA-N 356.407 2.809 0 1 FFAF CC(C)(C)c1cc(O)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 957853714 GKKCLKTXNZJWTM-UHFFFAOYSA-N 361.423 2.909 0 1 FFAF COC(=O)C[C@@H]1Oc2ccccc2-c2cc3c(c(C)c21)N(C)C(=O)C3=O 1772593888 POWPDPUPJZTFIQ-HNNXBMFYSA-N 351.358 2.818 0 1 FFAF O=C1C[C@@H](C(=O)Nc2cc(C3=CCCCC3)n(-c3ccccc3)n2)CN1 169706989 CLPMONYWSHVGMQ-OAHLLOKOSA-N 350.422 2.904 0 1 FFAF COc1ccccc1CCN[C@@H](CO)c1ccc(O)c2nc(O)ccc12 1857765506 MOZKOBDCBUJCIT-INIZCTEOSA-N 354.406 2.520 0 1 FFAF CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1Cl 1344428 HJKSABXDFIRFHE-UHFFFAOYSA-N 373.775 2.974 0 3 FFAF O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 103275031 HOCKLGZDTABYEP-PXNSSMCTSA-N 353.418 2.930 0 1 FFAF Cc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C 103529153 WGUJTGYNSWNKHP-OAHLLOKOSA-N 371.396 2.931 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@H]3C[C@H]12 2356570602 PEYPCTZOXFDFFW-OWIYZYIZSA-N 354.450 2.750 0 1 FFAF COc1cc(O)c2c(c1)C=CCC[C@H](O)[C@@H](O)CCC[C@@H](C)OC2=O 2356709102 OZWMOQDGIWAGRK-KCXAZCMYSA-N 350.411 2.645 0 1 FFAF COC(=O)/N=c1\[nH]c2cc(C(=O)c3cccs3)ccc2n1CCCCN 27419453 WAEIHEPEHSUXML-UHFFFAOYSA-N 372.450 2.668 0 1 FFAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCCN1CCCC1 5412828 ZPFALMVSMKETRX-ICSRJNTNSA-N 371.525 2.777 0 1 FFAF biogenic CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 34582436 OZHFIQIIDYNXAD-WLRLJWMZSA-N 354.450 2.761 0 1 FFAF CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82224384 AEEOZSJTDKRIER-INIZCTEOSA-N 366.421 2.640 0 1 FFAF COc1cc(C(=O)O)cc(Oc2ccc(C(=O)O)cc2C(=O)O)c1OC 238731078 HJQBCSOBRMYNCD-UHFFFAOYSA-N 362.290 2.591 0 1 FFAF C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473106886 YSFRQQCEKKYIKM-GFCCVEGCSA-N 353.357 2.613 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O 587433055 MNNRVBJOSZQLHK-YUNKPMOVSA-N 351.406 2.513 0 1 FFAF O=C(NCCCn1ncc2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O 12580700 VPERPSPSIHPGRD-SFHVURJKSA-N 362.433 2.596 0 1 FFAF CCCc1ccc(OC(=O)c2ccc3c(c2)S(=O)(=O)NCN3CC)cc1 169328572 KQSOIIBKHZKMNH-UHFFFAOYSA-N 374.462 2.934 0 1 FFAF COC(=O)[C@@H]1C(=N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)cc1 169687144 MJSVCSSZGQDVCG-ZFWWWQNUSA-N 360.797 2.638 0 1 FFAF COc1ccccc1N1CCN(C[C@]2(c3ccccc3)COCCO2)CC1 1857591231 FUAVCRFBSAKQCJ-JOCHJYFZSA-N 368.477 2.760 0 1 FFAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)cc1 776273 JXEPRXWQRZIINM-OAHLLOKOSA-N 360.454 2.846 0 1 FFAF COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CC[C@@H]2C(=O)O)cc1 6005677 GHKSNPQGDVIVNH-QGZVFWFLSA-N 355.390 2.869 0 1 FFAF CCOC(=O)C1CCN(c2[nH]cnc3c4c(OC)cccc4nc2-3)CC1 101668791 OVUZBZUUJAVDTO-UHFFFAOYSA-N 354.410 2.851 0 1 FFAF COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](C(=O)c2ccccc2OC)C(=O)N1 100448594 OABCLKMPOUYXKO-FPDPHYFHSA-N 367.401 2.915 0 3 FFAF C[C@@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26004764 XINKQFDGGDKFDS-MSOLQXFVSA-N 361.804 2.866 0 1 FFAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1cc[n+]([O-])cc1 66128909 GFANBSPWJDYWKJ-FQEVSTJZSA-N 366.804 2.823 0 1 FFAF CCOC(=O)c1cc(-c2csc(-c3ccnc(N)c3)n2)c(=O)[nH]c1C 38793632 VSLRVJBKRNJMHM-UHFFFAOYSA-N 356.407 2.628 0 1 FFAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(O)CC1 210595878 CLOXVWLCRWFUQF-QWFMPGPPSA-N 362.271 2.911 0 1 FFAF COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2 14559051 CEQXFBGTZBZJQF-AWEZNQCLSA-N 355.390 2.714 0 1 FFAF biogenic O=C1[C@H]2CCCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1 73197700 URQVZPKHIUYIDP-ZWKOTPCHSA-N 371.481 2.567 0 1 FFAF COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82136354 NXEJEWQRLUGUNY-UHFFFAOYSA-N 358.417 2.649 0 1 FFAF O=C1C(N2CCOCC2)=NN(c2ccccc2)CN1c1ccccc1Cl 45390800 OLRLGQSOQZZSBH-UHFFFAOYSA-N 370.840 2.796 0 1 FFAF Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1[C@H]1CNCCO1 149981609 MQGNMIIJRCNAPE-CYBMUJFWSA-N 372.322 2.961 0 1 FFAF CC[C@@H](C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]12 238741338 AQCWDMYAXGZHOF-KCOKFYGLSA-N 350.455 2.859 0 1 FFAF Cn1cc(-c2cncc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)cn1 145354748 NKXSGMQFDUZNPT-UHFFFAOYSA-N 358.365 2.658 0 1 FFAF C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(O)[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C 238789598 BUMAUDJEGAOISB-ODGOPNCESA-N 354.487 2.733 0 1 FFAF CC1=C(c2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 586901295 GQPWKCKNTBHBAY-CRAIPNDOSA-N 360.417 2.887 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncccc12 587592864 HWWVBTGKLLVJAS-YWZLYKJASA-N 360.325 2.596 0 1 FFAF CN[C@@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427353 DFTBOQIVWKBEHO-LKNMKHRSSA-N 353.418 2.955 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@H]1C(=O)OC)CC2=O 587476610 QBSDTPBQMHQWFD-YWZLYKJASA-N 361.438 2.564 0 1 FFAF CC(=O)N(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O 587570425 IQRWMBHJXYQSEF-PXNSSMCTSA-N 369.373 2.508 0 1 FFAF CN1C(=O)C[C@H]2CN[C@](c3cccnc3)(C3CCOCC3)c3cccc1c32 963029013 MTJKJRZFICYZKD-NYHFZMIOSA-N 363.461 2.805 0 1 FFAF COc1ccc([C@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC 1772597258 YIOSTDZDYFFVHN-CIRADVTDSA-N 364.438 2.621 0 1 FFAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)C[C@@H]4O)OCO3 13451331 BZJWIBFUENZRJZ-KBPBESRZSA-N 355.390 2.676 0 1 FFAF biogenic,in-vitro Cn1cc(C(=O)O)c(Nc2ccc(Br)cc2F)c(F)c1=O 13679350 ZDECDUKQBAGZHQ-UHFFFAOYSA-N 359.126 2.868 0 1 FFAF C/C(=C\Cc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2=O)CO 14762896 VPCRIHAWNUNORJ-RKOWFGTASA-N 356.374 2.643 0 1 FFAF endogenous,in-man NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 150035083 FLVXUOOZOMZARL-SFHVURJKSA-N 365.433 2.704 0 1 FFAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(C)c1 167145982 YQVVLIJZBFRWRE-IAGOWNOFSA-N 366.465 2.619 0 1 FFAF CC1=C(C(N)=O)[C@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857754032 WOBAEAPMUJZXDR-LBPRGKRZSA-N 350.806 2.786 0 1 FFAF CCCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 3645687 YAIXJKZQJNOCPD-NHAYFPRASA-N 374.868 2.538 0 1 FFAF O[C@@H]1OCC(=Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 2356412501 RQGZJVFHVYJECB-FOIQADDNSA-N 354.358 2.735 0 1 FFAF O=c1c([C@@H](O)c2cccnc2)c(O)n(-c2ccccc2)n1-c1ccccc1 2356284282 VIRKCVKWVRFTSI-IBGZPJMESA-N 359.385 2.811 0 1 FFAF COc1cccc2c1c(O)c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C 100814802 MJEGPKLIGUTZKB-UHFFFAOYSA-N 374.343 2.808 0 1 FFAF O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCCc1ccccc1 101163423 KXZYGPZMUJHYOE-UHFFFAOYSA-N 374.400 2.871 0 1 FFAF O=C(COc1ccccc1F)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 66136579 IANNESJLNCSMMW-UHFFFAOYSA-N 371.324 2.664 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(C[S@@](=O)CC2CCCC2)cc1 25968999 NEWTVTARTFDJKI-MHECFPHRSA-N 353.528 2.863 0 1 FFAF COc1ccccc1[C@H](O)CNCCOc1ccc(-n2ccnc2)cc1 26730228 VZOPMLJIWFNIAS-LJQANCHMSA-N 353.422 2.583 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)[SH](=O)=O 2356646963 VRJYJHPMOLIEMS-AGVUXJGHSA-N 367.555 2.823 0 1 FFAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 5955156 BQGJXFQCMYJENQ-HLAWJBBLSA-N 352.434 2.729 0 1 FFAF biogenic COc1ccc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc1OC 14760196 OIFFJDGSLVHPCW-GJZGRUSLSA-N 358.390 2.689 0 1 FFAF biogenic CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82151316 WRCGLGZZANIDHP-ZDUSSCGKSA-N 358.417 2.966 0 1 FFAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@H](c2ccccc2)C1=O 40810484 UPFMWWOGIXICKQ-QWFCFKBJSA-N 371.525 2.772 0 1 FFAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)nc1n2CCNC1 142056929 CZTXLWOOVRACHH-UHFFFAOYSA-N 372.428 2.869 0 1 FFAF COc1ccc(C(=O)[C@@H](COC(C)=O)Oc2ccccc2OC)cc1OC 95639284 ODPYOMZIVHDXSD-LJQANCHMSA-N 374.389 2.906 0 1 FFAF in-vitro CC(C)=CCc1c(O)ccc(C(=O)[C@@H](O)Cc2ccc(O)c(O)c2)c1O 43153671 GIDUDEJICBRLSA-SFHVURJKSA-N 358.390 2.804 0 1 FFAF biogenic Fc1ccc(-c2noc([C@@H]3CCc4c(nnn4[C@@H]4CCOC4)C3)n2)cc1 653768986 XYTZQUCMUFIGKB-TZMCWYRMSA-N 355.373 2.701 0 1 FFAF COC(=O)c1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cn1 586912642 JJLNIBCFLWZPIL-UHFFFAOYSA-N 353.378 2.547 0 1 FFAF CCOc1cc(C=O)c(OCC)n1-c1c[nH]cc(Br)c1=O 587939960 FZQDTPHMGMSYSM-UHFFFAOYSA-N 355.188 2.538 0 1 FFAF CCn1ccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432431 ORAQYYMPQNUOFO-VMGNRKAOSA-N 353.422 2.630 0 1 FFAF COc1cc2c3c(c1)O[C@@H](CNC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587432312 KMWPIONWTSDDPP-WBVHZDCISA-N 353.374 2.738 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(N)=O)c(Cl)c1)[C@@H](C2)C3=O 587421101 SIDASXNKBIUMPD-BUXKBTBVSA-N 373.792 2.701 0 1 FFAF COC(=O)c1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2n1 586918404 YBJYOIXVNNORQG-ZUOKHONESA-N 365.389 2.961 0 1 FFAF O=C(O)c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127621 ZZUVTOXXKIXXSI-UHFFFAOYSA-N 371.296 2.617 0 1 FFAF COc1c(F)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F 587134640 SJFRXTWDSVEUDK-UHFFFAOYSA-N 367.377 2.767 0 1 FFAF Cc1ncc2c(n1)CCC[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228099 IAFUIXFDHRZNTF-FPOVZHCZSA-N 360.417 2.512 0 1 FFAF COc1ccccc1OC[C@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963487190 CIFZFJCEVVDBAD-YWZLYKJASA-N 357.406 2.602 0 1 FFAF CC(C)NC(=O)c1onc(CSc2ccncc2)c1C(=O)NC(C)C 12509473 WGEVKUZRZDIMBR-UHFFFAOYSA-N 362.455 2.638 0 3 FFAF CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Br)c1 13441272 XUGKKEMTOBDOSZ-UHFFFAOYSA-N 366.215 2.957 0 1 FFAF Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)on1 169307030 KMAJPQMKTDYWGN-UHFFFAOYSA-N 363.439 2.800 0 1 FFAF O=C(CCN1CCc2ccccc2C1)Nc1nccc(C(F)(F)F)n1 1857589632 VDHPHCRRVHLPGH-UHFFFAOYSA-N 350.344 2.882 0 1 FFAF C[C@H]1OC2(CCN(CCc3cccnc3)CC2)CN(c2ccccc2)C1=O 1857611088 VHICOZJIGXAXOC-GOSISDBHSA-N 365.477 2.911 0 1 FFAF CCc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857631422 BYOALGJBMXJQIU-MRXNPFEDSA-N 367.357 2.759 0 1 FFAF O=C1NCN(c2ccccc2)C12CCN(C(=S)NC1CCCCC1)CC2 1200641038 OGDZGRKEALCXOW-UHFFFAOYSA-N 372.538 2.622 0 1 FFAF CC[C@]12c3c4c5ccccc5n3[C@@](O)(C(=O)OC)C[C@@H]1CCCN2CC4 2356382079 MCUPLASQAWQHIW-DLPLYFIVSA-N 354.450 2.737 0 1 FFAF COc1ccc(C(=O)N2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356302288 QQBJMVMBANLLSF-CRAIPNDOSA-N 369.396 2.951 0 1 FFAF NC(=O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621044 OBEIQVRUXRBRAZ-XLIONFOSSA-N 359.429 2.988 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632524 ZADIMWTYDQIIES-MLGOLLRUSA-N 371.437 2.894 0 1 FFAF O=C(Nc1nnc(C(F)(F)F)s1)N1CC[C@](O)(c2ccccc2)C1 20775535 PYVDRCSGZKUSAR-CYBMUJFWSA-N 358.345 2.682 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@@]12O 2356537169 JDRASYJDBQMJOH-ULXBPAFOSA-N 350.499 2.683 0 1 FFAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc5c(cc4O)OCO5)OC[C@H]23)ccc1O 14658147 OBBPXKPMHFTNDB-USEHDAJUSA-N 372.373 2.910 0 1 FFAF biogenic CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212159831 BJYOYRVOPACRQY-UHFFFAOYSA-N 358.398 2.903 0 1 FFAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H](O)[C@@H](Nc1ccccc1)c1ccccc1 72113135 HWTDEWGTPJYPIU-VMXMFDLUSA-N 367.401 2.614 0 1 FFAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199207696 KLEPRTCSKKCTOJ-FQEVSTJZSA-N 365.433 2.603 0 3 FFAF CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 95894355 HLIDLPOCEKCMCM-NLWGTHIKSA-N 368.408 2.551 0 1 FFAF Cc1noc2c1-c1sc(C)c(C)c1C(c1cncnc1)=N[C@H]2CC(N)=O 96284473 ULEDFSKEKOPKOV-LBPRGKRZSA-N 367.434 2.886 0 1 FFAF COc1cc(OC)c([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 98085794 VQLFWWDMKWFUJN-VUCAUUSGSA-N 364.438 2.621 0 1 FFAF COc1ccc(C(=O)N=c2nc3nc(C)cc(-c4ccccc4)n3[nH]2)cc1 473113304 FNWNBOPOIUDZOK-UHFFFAOYSA-N 359.389 2.783 0 1 FFAF C[C@]12CC[C@@H]3c4cc5c(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)NC5 653895468 WFSOIHAJOWRQOZ-MVWRLGRASA-N 361.463 2.839 0 1 FFAF Nc1nc(O)c2nc(SCc3ccc(OC(F)(F)F)cc3)[nH]c2n1 653903351 PWQBPSAQIKSMGR-UHFFFAOYSA-N 357.317 2.832 0 1 FFAF Cc1cc(F)c2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587203794 UKPKXLIBQDUDAB-HNNXBMFYSA-N 371.368 2.933 0 1 FFAF Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1C 587660679 JARFMHWYJDFPKN-UHFFFAOYSA-N 362.364 2.933 0 1 FFAF NCc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 587246122 DBTDHDCRXJLNBY-UHFFFAOYSA-N 350.163 2.688 0 1 FFAF N=C(N)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586996307 DRLZNUAQTKMYLH-GFCCVEGCSA-N 358.243 2.852 0 1 FFAF COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587585251 CWFWTAZZXSNTRZ-MAUKXSAKSA-N 350.330 2.894 0 1 FFAF CN(C)CCOc1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587961207 KMGMPAGJNVEXIE-UHFFFAOYSA-N 353.422 2.721 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005158 AAKGLTJLWVDFOJ-UHFFFAOYSA-N 358.608 2.825 0 1 FFAF Cc1n[nH]cc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138388 HRWCBIPURLUOIT-RYUDHWBXSA-N 364.427 2.510 0 1 FFAF Cc1nc(O)ccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970261 RHTWIUCHDJMECF-PXAZEXFGSA-N 368.767 2.890 0 1 FFAF CCOC(=O)c1n[nH]cc1[C@@H]1c2cccc(Br)c2CCN1C 963288568 DQERJDREGMRWDD-HNNXBMFYSA-N 364.243 2.926 0 1 FFAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(C2=O)c2nc(Cl)cc3c2CCN1C3 963465448 COLBRYATQBXZGK-QYZOEREBSA-N 360.841 2.782 0 1 FFAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)NCc1cccnc1 1772597808 PIVAZIMYJGDVBC-INIZCTEOSA-N 374.485 2.918 0 1 FFAF Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1[C@H]1CNCCO1 150024982 ANRRNDVWLJQNIX-CQSZACIVSA-N 372.322 2.961 0 1 FFAF CC(=O)OCOC(=O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1 1857607626 TYWQAROCESBDDQ-UHFFFAOYSA-N 359.769 2.656 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](C=Cc1ccccc1)[C@H]([C@H](O)CO)OC2 1857623153 IVJQHPFJFSRCHY-WAOWUJCRSA-N 356.418 2.753 0 1 FFAF O=C1c2c(O)cc3c(c2OC[C@H]1c1cc2c(cc1O)OCO2)C=CCO3 2356341738 VOVHREMWWAHOBO-NSHDSACASA-N 354.314 2.591 0 1 FFAF Cc1ccc(OCC(=O)NC(=S)Nc2nnc(-c3ccccc3)o2)cc1 103166890 CCSANMRHMMSJHM-UHFFFAOYSA-N 368.418 2.937 0 1 FFAF CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1nncs1 20463342 LXBCGSGWNCFNAA-UHFFFAOYSA-N 370.316 2.964 0 1 FFAF O=C(c1ccco1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CSCC2 28127166 NKGYKPDQIYYRIU-UHFFFAOYSA-N 363.416 2.959 0 1 FFAF Cn1c(=O)c(Nc2ccc(C(=O)Nc3cc[nH]n3)cc2)nc2ccccc21 28525893 ZLMCYVPSWUZPNR-UHFFFAOYSA-N 360.377 2.653 0 1 FFAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)C(=O)O 64245718 PUONKJCAZBJHHL-AAUSXKQESA-N 365.385 2.797 0 1 FFAF C/C=C/c1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)co1 38192569 TZXWWWSFTQHNBQ-AATRIKPKSA-N 358.346 2.708 0 1 FFAF O=C1COCc2ccc(-c3cccc(F)c3)cc2N1CCN1CCOCC1 74375269 VVPJWOYYXRVIQI-UHFFFAOYSA-N 370.424 2.688 0 3 FFAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@@H]([C@@H](C)C(=O)O)C[C@H]2[C@]1(C)O 1911582271 SARUSCQOSZSSLB-NWSMPZPWSA-N 366.454 2.732 0 1 FFAF CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(F)cc2)C(=O)O1 40835603 RWDYBCZLECMKMI-YXZIBZLCSA-N 350.386 2.867 0 1 FFAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(/C=C/c2cccc(F)c2)cc1 49088365 JGAIYISVYXDMLA-AQDCRGGLSA-N 370.424 2.763 0 1 FFAF CS(=O)(=O)Nc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1 96914124 DUGQMWQOEQPRDM-UHFFFAOYSA-N 372.406 2.516 0 1 FFAF O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@H]1CN(CC3CC3)CC[C@@H]1N=C2 140080238 BGOCUVAKPSPUAI-IRXDYDNUSA-N 356.857 2.819 0 1 FFAF CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O 85989447 IGMRYMQUDCGCFD-ZWKOTPCHSA-N 360.362 2.890 0 1 FFAF biogenic CO[C@@H]1CC[C@@]2(C)[C@H]3[C@H](O)C[C@]4(C)[C@@H](CC[C@H]4NCCN)[C@H]3CC[C@@H]2C1 299872389 FFSMUXROXURAGP-XCGKYJNLSA-N 364.574 2.932 0 1 FFAF aggregator COc1ccccc1CN1C[C@H]2COC[C@@]2(COCc2ccncc2)C1 299843141 MXJZODHCHAOJNC-FPOVZHCZSA-N 354.450 2.755 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](C(=O)O)C2)N1 587824378 BJJKMSCBPGRHCK-JFDMKLCPSA-N 370.218 2.772 0 1 FFAF O=Cc1cc(Br)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 586981976 GOBFDXOPSAPUAC-UHFFFAOYSA-N 351.185 2.589 0 1 FFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)ncc2[nH]1 586963837 QJAKEGZCUGSGSP-GFCCVEGCSA-N 359.411 2.792 0 1 FFAF COc1ccc(C=O)cc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587785687 FJUQVTQUYVFWDG-UHFFFAOYSA-N 350.422 2.803 0 1 FFAF Oc1nc(O)c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 587159376 ODJQRMBGUKNBJR-UHFFFAOYSA-N 362.324 2.909 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587038637 BBFDQGUXPFTELU-IAGOWNOFSA-N 373.503 2.913 0 1 FFAF Cn1ncnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344107 VWZDABHBWJJQIN-QFBILLFUSA-N 353.353 2.934 0 1 FFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(CO)cc4[nH]3)cc12 587037306 GWEAFYXGDWZWHI-SNVBAGLBSA-N 369.450 2.803 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@@]12c1ccsc1CCN2Cc1cccnc1 962999623 YSZDYBZGADMQFO-QZTJIDSGSA-N 362.520 2.994 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(C2)N[C@H]2Cc4c3ccnc4C2=O)C1 963290136 UIJFIIJMKQLSGF-ONGXBYRLSA-N 369.465 2.799 0 1 FFAF CC(=O)c1ccc(OCc2cc(C(=O)N[C@H](C)c3cnn(C)c3)no2)cc1 15070731 FYZNONZCRICVPO-GFCCVEGCSA-N 368.393 2.681 0 3 FFAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@@H]2CO)c1 15153086 QXMSVIXIQRDNOM-LUODXLFYSA-N 372.373 2.717 0 1 FFAF biogenic,in-vitro COC[C@H](O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1 200201500 WZBUNBKEDCWYFZ-OAHLLOKOSA-N 356.447 2.629 0 1 FFAF COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1 118589073 JTJVQXRKECVAJS-UHFFFAOYSA-N 356.451 2.781 0 1 FFAF CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCC1 2938972 XLRYYNHSKBBNBQ-YOEHRIQHSA-N 352.500 2.747 0 1 FFAF Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)O)n2)cc1 7991267 MJOZUOSADICMIL-BURFUSLBSA-N 353.422 2.925 0 1 FFAF Nc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2n1 8642910 CZLWCJRHDBTCGQ-UHFFFAOYSA-N 353.451 2.782 0 1 FFAF in-vivo CCO/C(O)=C1\SC[C@H](C(=O)NCc2cccc(OC)c2)N=C1C 103533322 DJJYSEGNOLDLHA-XEVXXXDWSA-N 350.440 2.651 0 1 FFAF CC=C1[C@H]2NCC[C@H]1[C@@](CO)(C(=O)OC)C1=Nc3ccccc3[C@]12CC 2356510545 CTIFWXHLJCBKTR-DETPAEQWSA-N 354.450 2.510 0 1 FFAF CCc1ccccc1OS(=O)(=O)c1ccc(N2CCN(C)C2=O)cc1 118392591 XWXRPZVZUZFJBV-UHFFFAOYSA-N 360.435 2.889 0 1 FFAF CC[C@@H](C)C(=O)OC[C@](O)(COC(=O)C(C)C)c1ccc(C)cc1O 14588677 IHCGYZLHGZMPTF-AUUYWEPGSA-N 352.427 2.677 0 1 FFAF biogenic COc1cc(O)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@H]1C2=O 14610803 BCRQIJDETOPQBA-IAGOWNOFSA-N 358.346 2.538 0 1 FFAF biogenic CC(C)CCN1c2nc(Nc3ccc(CO)cc3)ncc2N(C)C(=O)[C@H]1C 1911582064 AQNQUMXNCYHCBB-CQSZACIVSA-N 369.469 2.930 0 1 FFAF CCCN1C(=O)N2CC[C@@H](C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 40575801 GWKCSUZMIZSQTP-JYMLRBTQSA-N 371.485 2.937 0 1 FFAF CN1C(=O)N(CC2CC2)C[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565061 FPSMVDUHTVKGKB-CQSZACIVSA-N 356.253 2.756 0 1 FFAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 96917026 ZFAQTOYSVLYBOE-HNNXBMFYSA-N 368.867 2.766 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069264 GYECJUFLVKDJCW-LBPRGKRZSA-N 363.870 2.905 0 1 FFAF N=c1[nH]c2nc(CCNc3ccc(Br)cc3)nc-2c(Cl)[nH]1 586995296 JHENECPSVIFZLT-UHFFFAOYSA-N 367.638 2.788 0 1 FFAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccn2N1 587585853 HACPLBJPWDYGIA-FXAWDEMLSA-N 362.341 2.525 0 1 FFAF NC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007273 XMSOUQXUJJBRMD-UHFFFAOYSA-N 356.183 2.739 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cnc(C(F)(F)F)[nH]c-3n1)C2 587246312 GEABLSOZBGAXCC-MRXNPFEDSA-N 363.343 2.675 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O 587451929 LQBOODBGSVINEB-RBZFPXEDSA-N 370.474 2.990 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 586998044 WNYLOWFSHHTXHE-GFCCVEGCSA-N 362.183 2.589 0 1 FFAF COC(=O)c1cc2[nH]c(CSc3ncccc3C(=O)O)nc2cc1OC 586969067 SGRVUJDXNAHEPI-UHFFFAOYSA-N 373.390 2.744 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccnc2)N1 587775671 SZVBZOHZJLCEMT-JDNHERCYSA-N 365.202 2.846 0 1 FFAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@H]2C=C[C@]1(O)C(=O)O2 11612565 AALLCALQGXXWNA-FJUPVDOXSA-N 358.390 2.533 0 1 FFAF endogenous,in-man C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1 13557419 DAZMHQSDKJLHGD-STEAMIEHSA-N 371.477 2.954 0 1 FFAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)cc1F 13595761 VVLCKTHHOQBQIM-INIZCTEOSA-N 373.428 2.769 0 3 FFAF NC1=C(c2nn[nH]n2)[C@H](c2cccc(O)c2)c2c(ccc3ccccc23)O1 1857568802 HXLFCNPWJJFURO-MRXNPFEDSA-N 357.373 2.910 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](C=Cc1ccccc1)[C@H]([C@@H](O)CO)OC2 1857623151 IVJQHPFJFSRCHY-BBTUJRGHSA-N 356.418 2.753 0 1 FFAF CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 13147284 YAIXJKZQJNOCPD-WOCWXWTJSA-N 374.868 2.538 0 1 FFAF CC(C)O[C@H]1CCC(=O)N1S(=O)(=O)c1cccc(C(F)(F)F)c1 597377 FCECKPSEBQWTHG-ZDUSSCGKSA-N 351.346 2.768 0 1 FFAF COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@H]43 1697255 RRVQWUQWPISZCH-ODQRPKBASA-N 352.478 2.954 0 1 FFAF CCCc1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC 2356284145 PTURLEMJRNTESX-KRWDZBQOSA-N 360.362 2.878 0 1 FFAF CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cn1C 6800604 LIGDMDHVJWHMIM-MRXNPFEDSA-N 362.451 2.558 0 1 FFAF Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(C)c21 6916176 UXWOAEKALFEFKC-UHFFFAOYSA-N 358.829 2.952 0 1 FFAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)[C@H]1C(=O)c1ccco1 100276043 QVKBSDQFAPAQBF-IRXDYDNUSA-N 365.341 2.730 0 1 FFAF CCn1c([C@H]2CCCN(Cc3cccc4cnccc34)C2)nn(C)c1=O 67934204 MUFICTHCEAOWMU-KRWDZBQOSA-N 351.454 2.530 0 1 FFAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1O[C@H]2C[C@@H](O2)[C@@H]1CC=CCCCC(=O)O 2356744035 WOQBOHYWWJRXPR-BNXFAOBVSA-N 368.470 2.786 0 1 FFAF COC(=O)c1cc([C@H](O)CN[C@@H](C)CCc2cccc(F)c2)ccc1O 45228023 KCJKTFJEFYNACI-ORAYPTAESA-N 361.413 2.962 0 1 FFAF Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1 149528363 IVTDVOFOSZGNFV-UHFFFAOYSA-N 368.466 2.657 0 1 FFAF C/C=C/c1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC 140069489 CFDIKEGTRYTKPN-RTRPANQVSA-N 358.346 2.959 0 1 FFAF CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2C[C@H]1O 40863301 VQRCDZLYMBXGNJ-FUHWJXTLSA-N 356.374 2.879 0 1 FFAF biogenic COC(=O)[C@H](OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346202 HVLQUPHFUPZQBR-KPFFTGBYSA-N 374.364 2.837 0 1 FFAF CCn1cc(Br)c(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)n1 587001541 ZXDMVBHPFWKGAQ-UHFFFAOYSA-N 367.178 2.970 0 1 FFAF Cc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584747 AIKGUDYKYWTOIG-RHSMWYFYSA-N 366.329 2.605 0 1 FFAF COC(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1OC 587242469 MCRUCHZIVYUBNK-UHFFFAOYSA-N 353.378 2.907 0 1 FFAF O=C(O)[C@H]1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]1C(=O)O 587969819 AHFLQOHZNRCLNR-QKDCVEJESA-N 352.346 2.641 0 1 FFAF COC(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1OC 587782137 QEVRDJWIGQNWPX-UHFFFAOYSA-N 354.362 2.644 0 1 FFAF COc1ccc2c(c1OC)[C@](C)(C1=CC=CN3C=CN[C@H]13)N(C)[C@H](C)C2 962617276 BZKZTJQXKINKDY-OREJSRFESA-N 353.466 2.952 0 1 FFAF COC(=O)[C@H]1CC[C@]2(CC1(C)C)NCCc1ccc(C(=O)N(C)C)cc12 962921709 DEPGXOKSTPGCIM-IIBYNOLFSA-N 358.482 2.729 0 1 FFAF O=[S@](c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F 13586694 ZQMGNORHKBCQLC-NRFANRHFSA-N 350.343 2.510 0 1 FFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1 150173958 BULZFDBUMKGDON-IBGZPJMESA-N 366.396 2.925 0 1 FFAF CN(C)CCn1c(=O)ccc2c(C(F)(F)F)cc(C(F)(F)F)nc21 169335965 WOYFLMHWMUJNIQ-UHFFFAOYSA-N 353.266 2.996 0 1 FFAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3ccncn3)sc2c1=O 1857535035 HSKBFNGQOJCHEE-UHFFFAOYSA-N 370.825 2.760 0 1 FFAF C=C1C=C(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)CC=C[C@@H](C)C1 253670833 JGVDQHBHLCHHMJ-JPUXWFAOSA-N 350.455 2.725 0 1 FFAF O[C@@H]1OCC(=Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 2356412502 RQGZJVFHVYJECB-MGPUTAFESA-N 354.358 2.735 0 1 FFAF CN1c2cccnc2CN(C(=O)Nc2ccc(Cl)cc2)CC[C@@H]1CO 2356309567 RPRGMVNCHUOERE-OAHLLOKOSA-N 360.845 2.970 0 1 FFAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049306 OVKCQZKYKYWDLW-OWQGQXMQSA-N 357.479 2.906 0 1 FFAF O=C(N[C@]1(Cc2ccccc2F)N=C2C=CC=CN2C1=O)c1ccccc1 6806640 JNTDJUOKQDGLFR-NRFANRHFSA-N 361.376 2.819 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccccc2)=N1 101349139 JDDLKQYBXGUQKD-HOCLYGCPSA-N 360.369 2.643 0 1 FFAF O=C1CC(=O)N(C(=O)OCc2ccccc2)[C@H]1COCc1ccccc1 102903495 DHBYXSFRGLRNOF-KRWDZBQOSA-N 353.374 2.710 0 1 FFAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1C[C@H](C)O 103264011 MUXBNOKWIARUJW-NSHDSACASA-N 356.426 2.677 0 1 FFAF COc1ccccc1C(=O)CCCCN1CCC2(CC1)NC(=O)N=C2O 26647963 WWUMBYUDWCLUIR-UHFFFAOYSA-N 359.426 2.563 0 1 FFAF CC(=CCCC1=CCC[C@](C)([C@H](O)CCC(C)=CCO)OC1=O)CO 2356427991 SUTOKLTWMNXOJT-UYAOXDASSA-N 352.471 2.807 0 1 FFAF CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40379436 MCUWKSUFJANNRJ-OMLDUKLJSA-N 356.777 2.740 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)co2)cc1 82070807 NFEYCHSRMOUIKL-CQSZACIVSA-N 373.453 2.652 0 1 FFAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C[C@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@@]5(C(=O)O)C4 197921321 VURGZLDGPWHDST-UMUDRVITSA-N 362.466 2.854 0 1 FFAF CC(C)Oc1cc2c(-c3cc(N4CC[C@@H](CO)C4)ncn3)n[nH]c2cc1F 225565117 RFZLEAWSLSTBDE-GFCCVEGCSA-N 371.416 2.765 0 1 FFAF O=C1O[C@@H](O)C(c2cccc(C(=O)Nc3ccccc3)c2)=C1Br 84688141 RERLOUOHNLANCV-MRXNPFEDSA-N 374.190 2.920 0 1 FFAF CN(C)c1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1 149955348 HGORPAVLUZYBBK-UHFFFAOYSA-N 367.434 2.622 0 1 FFAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cc(F)ccc1F 95794360 KUXSHBFDXGVUAL-VQTJNVASSA-N 372.415 2.526 0 1 FFAF Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccn3)n2)n1 96167377 YMNPHSKHADOGDZ-UHFFFAOYSA-N 372.392 2.757 0 1 FFAF C[C@@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 255276529 WKFXHNDWEHDGQD-PJHDNLHZSA-N 350.499 2.681 0 1 FFAF CC(C)=CCN1C(=O)[C@H]2CCCN2C(=O)[C@H]1Cc1c[nH]c2ccccc12 34513376 QPBWZQKYJJYRHK-RTBURBONSA-N 351.450 2.878 0 1 FFAF biogenic CCOC(=O)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 653833247 PUXFUWIHEKAVBS-UHFFFAOYSA-N 351.362 2.922 0 1 FFAF C[C@@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)Cc2ccc(F)cc2C(=O)O1 587173959 LCNQWMWUGNBUED-IBGZPJMESA-N 367.336 2.661 0 1 FFAF COC(=O)[C@H]1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)OC 587527646 XMTSWRUMNMVLLI-HOTGVXAUSA-N 372.417 2.642 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccnc2N)N1 587748346 WIOKLDXSMXUGGW-VXJOIVPMSA-N 351.223 2.758 0 1 FFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(=N)[nH]cc3[nH]2)c1 587204018 UDBAEZAQALVGFS-UHFFFAOYSA-N 352.398 2.888 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cnc2[nH]1 587095149 YMRZYIKYBFMJSL-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF CN(C)CC1CCN([C@@H]2CCC[C@@]3(C2)NCCc2ccc(O)cc23)CC1 963341627 NTSTZFUBTYVQOD-KNQAVFIVSA-N 357.542 2.949 0 1 FFAF COc1ccc([C@]2(c3ccccn3)NCCc3nc4ccccn4c32)cn1 962980173 BWNPOMYYLKRMBD-OAQYLSRUSA-N 357.417 2.571 0 1 FFAF CCn1ncc2cc3nc(c21)NCCOC[C@H](c1ccccc1)NC(=O)N3 1772593111 JVTHXSIRYSQHTL-OAHLLOKOSA-N 366.425 2.756 0 1 FFAF CC1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)[C@@H](c2ccco2)NC(=O)N1 1857553019 KGNSMARXGPQOLA-MRVPVSSYSA-N 372.221 2.944 0 1 FFAF Cn1c(CO[C@@H]2CN(Cc3ccncc3F)C[C@H]2F)nc2ccccc21 2356325184 NKCBYROTBMJSOZ-CRAIPNDOSA-N 358.392 2.847 0 1 FFAF O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO 2451131 BGNWPQMCQZSXKT-VVIORFSUSA-N 371.436 2.898 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2cccc(F)c21 103259020 ZTHWPJIQTINHPT-PYKQWIPUSA-N 371.364 2.579 0 1 FFAF CC1(C)C(=O)C(C)(C)C12SC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 103948552 BSZGZXJPWCSXJO-ZIAGYGMSSA-N 357.475 2.909 0 1 FFAF C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C3CCCCC3)CCN21 2356443703 VWNYOBZHWDCYFB-VXKWHMMOSA-N 357.542 2.572 0 1 FFAF CN1Cc2c(NC(=O)CN3CCOCC3)cccc2[C@@H](c2ccccc2)C1 28218189 KVHAHYYHXQXIFY-LJQANCHMSA-N 365.477 2.535 0 1 FFAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)=C2[C@@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]21C 15057722 ZAWXJKKWWNOWDR-BEASXNNWSA-N 350.411 2.548 0 1 FFAF biogenic COc1cc(Cc2nc(-c3ccccc3)nnc2O)cc(OC)c1OC 40406732 WHGQEMSHLFPPPW-UHFFFAOYSA-N 353.378 2.861 0 1 FFAF CCc1c(F)c(N2CCN[C@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 40639915 HCWDBYFJHFDLPF-LLVKDONJSA-N 373.428 2.534 0 1 FFAF CN(C)CCN(C)C1CCN([C@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95381233 YXONXQAKHFWERE-KRWDZBQOSA-N 371.884 2.563 0 1 FFAF Cc1c(F)ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587202632 KFQISPXKNNIMRM-HNNXBMFYSA-N 371.368 2.933 0 1 FFAF CS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166339 BEQSLHHWQCKQLG-CMDGGOBGSA-N 359.382 2.757 0 1 FFAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519247 WVTQMVZJIYPUCM-PONRLDDASA-N 369.461 2.925 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(=O)O)cc21 587482786 JHLNZKKNCLOHJP-HXUWFJFHSA-N 367.357 2.856 0 1 FFAF COCCn1ncc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1=O 587874098 QFCPJDGUGHUJSH-UHFFFAOYSA-N 362.748 2.641 0 1 FFAF CCOC(=O)C[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789011 BDSHEBXRRXBWHY-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF Nc1ccnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 587020070 VNBOXBFDJSHBHP-UHFFFAOYSA-N 366.406 2.545 0 1 FFAF CCn1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962702350 LJJKWWCCLOGPRE-ZIAGYGMSSA-N 357.307 2.749 0 1 FFAF COc1ccc2c(c1OC)[C@]1(c3ccc(F)cc3C[C@H]1N)N(C)[C@@H](C)C2 962618946 CPYVHQSPAAYZKM-VXOKYEDTSA-N 356.441 2.846 0 1 FFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO 13144485 BGNWPQMCQZSXKT-MTIDIVMFSA-N 371.436 2.898 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1CN1Cc1cnc2ccccc2c1 169328807 KVFXBBSEFMIRDB-JHAYDQECSA-N 361.232 2.983 0 1 FFAF c1ccc2nc(-c3nc4ccccc4[nH]3)c(NCCN3CCOCC3)nc2c1 1857572592 KJWSBDVIJAMSKR-UHFFFAOYSA-N 374.448 2.917 0 1 FFAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(C)=O)C4)c3c2)cn1 1857643094 JAAUWOOQNAALIU-INIZCTEOSA-N 363.421 2.733 0 1 FFAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)N1CCOCC1 4077502 SGNQFTJJYZZNPY-WBVHZDCISA-N 360.797 2.884 0 1 FFAF CCc1nn([C@@H](CC)C(=O)N[C@H](C)CC)c(=O)c2cc3oc(C)cc3n12 6821508 XRSVYFHQWFMITR-YPMHNXCESA-N 358.442 2.979 0 1 FFAF O=C1c2nc3cc(-c4ccccc4)[nH]n3c(=O)c2CN1Cc1ccccc1 104305201 BNYVJZXIAPBSGM-UHFFFAOYSA-N 356.385 2.846 0 3 FFAF O=C(Nc1cnccn1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1 114003387 MXZUCQMCGWGEFM-UHFFFAOYSA-N 365.368 2.973 0 1 FFAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356484225 NCFPQWWUPUPGCB-GUDVDZBRSA-N 374.529 2.972 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1O[C@H](O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356557685 XNRNNGPBEPRNAR-JAYZULETSA-N 370.486 2.769 0 1 FFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@H](CC(=O)C[C@@]3(C)CO)[C@H]2CC1 2356580229 NHDNEERFVCQDDL-XUDSTZEESA-N 364.482 2.641 0 1 FFAF CC(=O)Oc1ccc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc1 66079595 OEYMNLJHSACTIM-GZTJUZNOSA-N 360.387 2.641 0 1 FFAF CC(=O)CSc1nnc(CSc2nnc(-c3ccccc3)n2C)o1 39932949 DNJCRCMNLWRRON-UHFFFAOYSA-N 361.452 2.839 0 1 FFAF O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]21 13371399 AWLJZFUREZNLGG-WMWFGIPQSA-N 370.357 2.538 0 1 FFAF biogenic O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@H]1Cc2ccccc2[C@@H]1O 219767619 FOYUBKLLRBTZJV-WFASDCNBSA-N 359.336 2.675 0 1 FFAF Cn1nc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 42201310 DXZFQTAPRSQZBA-UHFFFAOYSA-N 360.421 2.612 0 1 FFAF CC(C)[C@H]1O[C@@]2(O)C3=C(CCN3C1=O)c1nc3ccccc3c3ccnc2c13 14693400 KIKGCFUXDPHGDY-XMSQKQJNSA-N 373.412 2.940 0 1 FFAF biogenic O=S1(=O)c2ccccc2-c2c(nnn2Cc2ccccc2)CN1C1CC1 96019402 OJZOBOQHPSHHQN-UHFFFAOYSA-N 366.446 2.660 0 3 FFAF CCCCn1c(-c2cccc(Cl)c2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95589988 VQFJKFWUKSMSNG-UHFFFAOYSA-N 371.828 2.797 0 1 FFAF COc1cc(N[C@H](C)CCCNc2c(OC)c(=O)c2=O)c2ncccc2c1 653690007 SDRFJSLSMVDBEM-GFCCVEGCSA-N 369.421 2.541 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2ccnc(Cl)c2[nH]1 587566273 DNQYTODOKJHMCH-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O 587435330 FKUYXHJPNBBKJH-HRAATJIYSA-N 361.401 2.998 0 1 FFAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C 587761285 OZPMQYJNCLJULW-XXFAHNHDSA-N 353.235 2.736 0 1 FFAF COC[C@H](C)NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869145 CPMONPAGMXYSEL-VIFPVBQESA-N 374.388 2.730 0 1 FFAF CNC(=O)[C@@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 587233772 AMJRNFJCDIRIHB-PHDIDXHHSA-N 373.048 2.937 0 1 FFAF N=c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc[nH]1 587659687 ATJQDRSNXRZMEP-UHFFFAOYSA-N 360.348 2.699 0 1 FFAF CCCCCc1[nH]c2c(C(=O)O)cccc2c1C(=O)N[C@H]1CCOC1=O 587637715 GNFFJGXIISQKPC-AWEZNQCLSA-N 358.394 2.644 0 1 FFAF O=C1Oc2ccccc2[C@H](O)[C@H]1Sc1c(O)oc2ccccc2c1=O 13604215 FARGPRAWHNFEMH-DZGCQCFKSA-N 356.355 2.612 0 1 FFAF O=C1NC[C@H](Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O 13662269 JDNSDTOPXLFFFM-IBGZPJMESA-N 374.440 2.658 0 3 FFAF Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 205505017 XEESQZOHNMFSPW-LJQANCHMSA-N 353.466 2.532 0 1 FFAF CCc1c(-c2ccc(N3CCNCC3)cc2)nc(O)c2c(O)nsc12 1857594917 ITXCAGAXKYCMEM-UHFFFAOYSA-N 356.451 2.742 0 1 FFAF CN(C)C1=N[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=N)N1 1857598976 SYXCXRXAWNWLSC-SFHVURJKSA-N 359.437 2.583 0 1 FFAF COc1ccc(OC)c(C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c1 2648170 PQIKVOWHJFIHBI-CHWSQXEVSA-N 360.406 2.825 0 1 FFAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@H](C)[C@@H](O)c1cc2c(cc1O)OCO2 2356386829 XKIPVJSCMKBSDW-YTZNFABESA-N 374.389 2.889 0 1 FFAF NC(=O)c1ccccc1OCCCCN1CCN(c2ccccc2)CC1 103204059 QXBBYLSYGCISJG-UHFFFAOYSA-N 353.466 2.767 0 1 FFAF CN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100086310 YBHYAGZFJXWYRH-BWTSREIZSA-N 360.454 2.534 0 1 FFAF CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)c1cc(Cl)ccc1O)C2=O 101472963 NRQAGOUXTIHAPO-GTNSWQLSSA-N 350.802 2.502 0 1 FFAF CNc1nc2[nH]c(-c3cccc([C@@H](C)NC(C)=O)n3)cc2c2c1ncn2C 73158100 HJNOHXBEFNKEHY-SNVBAGLBSA-N 363.425 2.750 0 1 FFAF COc1cc(OC)c2c(c1)[C@@](C)(O)C1=NCCc3cc4c(c-2c31)OCO4 15265669 JQGIQJSKFPVMEZ-HXUWFJFHSA-N 353.374 2.666 0 1 FFAF biogenic Cc1nc(COC[C@H]2CCC[C@]23CN([C@@H]2CCOC2)CCO3)cs1 96160016 SJAMOHNIEGELHK-NXHRZFHOSA-N 352.500 2.628 0 1 FFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Oc1ccc2ccccc2c1 141656258 BTZIDJQRUXBZIL-YKCBXCCJSA-N 361.397 2.942 0 1 FFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3)nc12 95589458 WQHNUCLXRFMSFN-UHFFFAOYSA-N 357.391 2.564 0 1 FFAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2F)cs1 96916370 PRFSWPFDEMBFFY-JTQLQIEISA-N 351.384 2.629 0 1 FFAF NC(=O)C[C@H]1CC[C@H](c2ccc([C@H]3COc4ncnc(N)c4O3)cc2)CC1 253805144 JDSSVXLSMUEXCV-XJKCOSOUSA-N 368.437 2.721 0 1 FFAF O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)NCc1ccccc1 473122509 SRKUGLOUPZXYIW-UHFFFAOYSA-N 368.418 2.578 0 1 FFAF COc1c(C)cc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1C 653905708 AOHOUAQREGGAOP-MRXNPFEDSA-N 363.483 2.609 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccnc(O)c3[nH]2)cc1 587040086 JPSPSXFLYLILSX-AWEZNQCLSA-N 370.434 2.950 0 1 FFAF Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1C 587239207 LUHDEJPCMMIJOV-UHFFFAOYSA-N 350.378 2.692 0 1 FFAF CCCc1c(O)ccc2c1OC(CCC(=O)O)(CCC(=O)O)CC2=O 587478668 BHZCVLFKYUBLIG-UHFFFAOYSA-N 350.367 2.778 0 1 FFAF CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587568749 DENLEQBXSUUUAP-QFBILLFUSA-N 363.373 2.951 0 1 FFAF COc1ccc(S(=O)(=O)Cc2nc3cc(OC)cc(OC)c3[nH]2)cc1 586920987 ULMZKLFAIHPJER-UHFFFAOYSA-N 362.407 2.563 0 1 FFAF O=c1cccc(-c2nc3cnncc3[nH]2)n1CCOc1ccccc1Cl 587065135 ZXGXUDSRTLYIJE-UHFFFAOYSA-N 367.796 2.914 0 1 FFAF COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587398298 DWRIABFNZWSIRM-OAQYLSRUSA-N 367.401 2.879 0 1 FFAF Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586946337 KJMWZMJLPMNVJG-HNNXBMFYSA-N 371.462 2.996 0 1 FFAF O=C(N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587203065 NBXSCVJNOMGRKT-LBPRGKRZSA-N 374.784 2.533 0 1 FFAF Cc1ccc2c(c1)[C@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)N2C 962776019 ZTJPYUAXYDRREC-KXBFYZLASA-N 374.362 2.861 0 1 FFAF COc1ccccc1Nc1ncc2c(n1)CCN(C(=O)c1cccnc1)C2 1772612393 RYSRPBBVZJAJJX-UHFFFAOYSA-N 361.405 2.822 0 1 FFAF CC1(C)Oc2c(O)cc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@H]1O 14695527 ZCVDLJXIVVGRBZ-MRXNPFEDSA-N 370.357 2.651 0 1 FFAF endogenous,in-man COc1cccc(C(=O)Nc2cc(Br)ccc2-c2nn[nH]n2)c1 1857750020 PBPUMPQWTPJTMD-UHFFFAOYSA-N 374.198 2.890 0 1 FFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 103260212 QHXBWJSQXSYAGG-VIFPVBQESA-N 353.365 2.537 0 1 FFAF in-vitro CSc1ccc(C(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1 25962743 AHSGSKZYZFQYPJ-UHFFFAOYSA-N 373.821 2.527 0 1 FFAF O=C1NC(=O)[C@H](Cc2ccc(OC[C@@H]3COc4ccccc4O3)cc2)S1 28714375 BRJZNYVTUDTZFD-PBHICJAKSA-N 371.414 2.800 0 1 FFAF O=C(O[C@H]1CCN(CCCF)C1)C(O)(c1ccccc1)c1ccccc1 27522356 WYSIZCDNOQOVQV-IBGZPJMESA-N 357.425 2.900 0 1 FFAF CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2scc(Cl)c2[nH]1 36177512 UFQLRQXDYQQIQF-LBPRGKRZSA-N 361.854 2.970 0 1 FFAF O=C(CCc1noc2c1CCc1cc(O)ccc1-2)NC1=C(C(=O)O)CCC1 40943610 JIRAUVHYTNPNIG-UHFFFAOYSA-N 368.389 2.717 0 1 FFAF CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C2=C1C 238765290 ZAWXJKKWWNOWDR-BETNUZQCSA-N 350.411 2.548 0 1 FFAF O=C(O)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ccccn1)C2 96064272 ORSAEAXNLNJTKV-LPHOPBHVSA-N 357.479 2.946 0 1 FFAF CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 95558474 CULSPSVPJXBZMJ-UHFFFAOYSA-N 369.490 2.626 0 1 FFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(N)=O 145511519 OAXSTAHODUUHNQ-ARSRFYASSA-N 351.487 2.652 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C2 587247383 QNMPGXWZNPATKA-OAQYLSRUSA-N 362.433 2.799 0 1 FFAF Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)N(C)C)o4)nc32)n1 586931095 KLIFZJWTKMUZRI-UHFFFAOYSA-N 356.407 2.930 0 1 FFAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 586922634 XREBIKIJWWYTHA-UHFFFAOYSA-N 359.238 2.718 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)N(C)[C@H]1C 587393744 LEIIZBLYTUITNA-RBZFPXEDSA-N 351.406 2.563 0 1 FFAF C[C@@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335035 KKMCUFJKDIICKL-KBXCAEBGSA-N 355.325 2.771 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(F)(F)F)N1 587707263 VBEGIACVCRJDCD-ULHQUTTKSA-N 356.113 2.965 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cnc(N3CCCC3)s1)NCC2 962924700 LTPNHIOBXDDYMQ-KRWDZBQOSA-N 356.495 2.680 0 1 FFAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)O)[C@H]1c1cccc(-n2ccnc2)c1 169714428 MQZFRYWEHQLENT-SJLPKXTDSA-N 367.405 2.968 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c(OC)c1 205217237 USAIWHVGZSMZRO-FUHWJXTLSA-N 370.380 2.718 0 3 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1C[N@@]1Cc1ccnc2ccccc12 1857742830 GVKFUXHFCRZTDK-AMXDTQDGSA-N 361.232 2.983 0 1 FFAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1CN=C3 113154433 SLLHJWJNIZVWNQ-LLVKDONJSA-N 355.369 2.575 0 1 FFAF O=C(O)CCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 627259 QZYWZDYODNNNDD-UHFFFAOYSA-N 353.422 2.817 0 1 FFAF CSCC[C@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 1647183 MSLUEPNVDDGZPD-KRWDZBQOSA-N 371.458 2.783 0 1 FFAF COC(=O)c1ccc(C(=Cc2ccc(OC)c(OC)c2)C(=O)O)cc1O 2356337860 FIZFMQMREPLBIE-UHFFFAOYSA-N 358.346 2.821 0 1 FFAF CN(Cc1ccco1)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1 4257436 ZOLHFLIJGOZLDN-UHFFFAOYSA-N 358.423 2.745 0 1 FFAF CC[C@@H](Sc1nncn2c1cc1oc(C)cc12)C(=O)N1CCOCC1 6894058 ZCLMVOSCLOWARW-OAHLLOKOSA-N 360.439 2.513 0 1 FFAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 2356290334 PSUXCZGSBXQMHI-MRXNPFEDSA-N 372.446 2.915 0 1 FFAF Cc1c(CNC(=O)C(=O)NCCc2ccccn2)sc2ccccc12 114425604 IWLKXJBGIQBUFN-UHFFFAOYSA-N 353.447 2.580 0 1 FFAF C=Cc1c(C)cc(O)c2c1[C@H](O)[C@H](O)[C@@H]1[C@](C)(C(=O)OC)CC[C@@H]3C[C@]213 2356669099 MQEUTRGOTKQOBL-YCVVKNRGSA-N 358.434 2.599 0 1 FFAF COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356713454 JFROLRTYTSCKNK-VAHMCPTKSA-N 362.466 2.893 0 1 FFAF NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccccc2)O3)c1 61904807 YWKJRBSYOHIZNM-GOSISDBHSA-N 359.385 2.790 0 3 FFAF C[C@@H](O)CCCCOc1nn(CCCC[C@@H](C)O)c(=O)c2ccccc12 34965620 JGQYOFSIRYAKHG-HZPDHXFCSA-N 362.470 2.878 0 1 FFAF O=C1N[C@@](c2ccccc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 72126205 ABYVXXANHLMISH-QFIPXVFZSA-N 361.445 2.860 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1ccccn1 49036805 IKQJYEKVFJCZMM-UONOGXRCSA-N 368.824 2.518 0 1 FFAF N[C@H]1CCC[C@@H]1Nc1cncc(-c2cc3c(cn2)cnn3-c2ccccn2)n1 224866797 AMLBGFLCAMEAEJ-GJZGRUSLSA-N 372.436 2.564 0 1 FFAF COc1ccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)cc1 82067323 APBJSWOCOQMCQP-UHFFFAOYSA-N 363.421 2.999 0 1 FFAF O=C1c2ccccc2N(Cc2ccccc2)C(=O)CN1CC1CCNCC1 95562777 DOXMCTZUFFGNCV-UHFFFAOYSA-N 363.461 2.675 0 1 FFAF CC(C)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O 96019403 JQAABUFFMCOCPM-UHFFFAOYSA-N 368.462 2.906 0 3 FFAF CN1CCN(c2nc(/C=C/c3ccc(Cl)cc3Cl)nc(=N)[nH]2)CC1 473154897 MIGPYXBAAOJXFY-HWKANZROSA-N 365.268 2.513 0 1 FFAF NC(=O)c1c(F)ccc(OC[C@@H]2COc3cc(Cl)ccc3O2)c1F 299827980 PPKOVYVRYAIJKH-SECBINFHSA-N 355.724 2.936 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@H]([C@@](O)(CO)[C@H](O)CO)C[C@@H]12 473096139 YYLNWEORJBWPMV-NSHPWUEQSA-N 354.531 2.722 0 1 FFAF c1cc(NC2=NCCN2)cc(Sc2ccc(NC3=NCCN3)cc2)c1 299838434 QOYWWIITMCNNCX-UHFFFAOYSA-N 352.467 2.580 0 1 FFAF COc1ccc([C@@H]2CSc3nnc(-c4n[nH]c5c4CCC5)n3N2)cc1 653822657 NLLNVXXGIMOXRQ-AWEZNQCLSA-N 354.439 2.556 0 1 FFAF CCS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587251814 OTYGLCDFEMNQSB-UHFFFAOYSA-N 357.435 2.754 0 1 FFAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587028081 KUQPHWVZJOBDTK-UHFFFAOYSA-N 359.436 2.637 0 1 FFAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587935732 ISNOELDPDYFEDB-MGPLVRAMSA-N 362.407 2.655 0 1 FFAF COC(=O)COc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587438194 CZZGXSGVLCBPAM-FOIQADDNSA-N 354.358 2.736 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@@H]2CCO)N1 587763430 ZANMLVVHALFVOT-BTJLNZGRSA-N 371.294 2.652 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617208 JDFLXVDYTSEEFG-FNHZYXHNSA-N 372.398 2.771 0 1 FFAF O=[S@@](c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F 13586693 ZQMGNORHKBCQLC-OAQYLSRUSA-N 350.343 2.510 0 1 FFAF COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=CC(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C 14649673 NONFZPSUEXXTLT-YPOIBSTJSA-N 358.434 2.845 0 1 FFAF biogenic CCOC(=O)CCc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O 3955113 JCRSCJRYTRCSHB-KGLIPLIRSA-N 372.469 2.829 0 1 FFAF CC(C)Cn1c2c(c(O)nc1=O)[C@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 103635654 KBWJRBXBQOZOKP-CYBMUJFWSA-N 371.368 2.762 0 1 FFAF CCn1ncc(OCc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1=O 103215886 JESXDQCTPFGNSU-UHFFFAOYSA-N 350.737 2.685 0 1 FFAF Cc1cc(-n2cc(I)nc2C)cc2ccc(=O)[nH]c12 29323447 SCMPNDROUJCWJK-UHFFFAOYSA-N 365.174 2.935 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@H]1C2 29488759 KPYLTXHXALSGPG-AYBZRNKSSA-N 356.466 2.718 0 1 FFAF CN[C@@H](C)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27982899 VWRRCGJYHLOAKH-RYUDHWBXSA-N 373.428 2.608 0 1 FFAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356527425 HKSGHIIBMAMKKZ-UMLJTCIASA-N 350.499 2.537 0 1 FFAF C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]4(CCC(N)=O)[C@H]2[C@@H]1CC[C@@]34CO 2356544300 KJPPAWUWLMKICL-LECCRNLGSA-N 358.526 2.707 0 1 FFAF COC(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCCC1CCCCC1 27564574 IWBLXNPEXYZWHA-INIZCTEOSA-N 353.459 2.834 0 1 FFAF COCCN1C(=O)COCc2cc(-c3cccc(C(=O)OC)c3)ccc21 74375051 BMPQCDDFHLHYDN-UHFFFAOYSA-N 355.390 2.650 0 3 FFAF Cc1nnc2c(NC3CCN(C)CC3)cc(N(C)Cc3ccccc3)nn12 210002026 ORSSGGPKBJSXGH-UHFFFAOYSA-N 365.485 2.575 0 1 FFAF O=c1cc(-c2ccc3n[nH]nc3c2)nc2nc(-c3cccc(Cl)c3)[nH]n12 219605455 MKKLXWKEOXQZHW-UHFFFAOYSA-N 363.768 2.676 0 1 FFAF CCOP(=O)(OCC)[C@@H](O)c1cc2cccc(OC)c2n2nnnc12 49051254 MUMDFNWUTZKCSN-OAHLLOKOSA-N 366.314 2.543 0 1 FFAF COc1cc2c(C)c(-c3ccc(N(C)C)nc3)c(=O)oc2c(C=O)c1O 221071368 UAASNUAPNLVMCH-UHFFFAOYSA-N 354.362 2.756 0 1 FFAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCC(C)C)ncnc21 82178023 BZDIFDKTYOSRHQ-UHFFFAOYSA-N 356.430 2.599 0 1 FFAF CNc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565371 ARPLRSIMDNXZRZ-UHFFFAOYSA-N 359.739 2.648 0 1 FFAF Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc3cccnc23)c(C)c1 95555549 CAQUUQOCGKVKCX-UHFFFAOYSA-N 369.446 2.769 0 1 FFAF C=CN1CC[C@@H]([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394889 JWCPXEXOOBMICP-QVKFZJNVSA-N 363.417 2.825 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(Cl)nc3[nH]2)s1 587024394 YFABOFQYEAMGGA-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF CCN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579890 APZLQGYKVSFMPI-FXAWDEMLSA-N 353.374 2.735 0 1 FFAF O=S1(=O)CCC[C@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962709689 OUFRQMNYOLYJEM-GUYCJALGSA-N 355.500 2.593 0 1 FFAF Cn1cnc(Nc2nc(N3CCC(N)CC3)nc3ccc(Cl)cc23)c1 1772618442 FFRWUFYTZPMLTK-UHFFFAOYSA-N 357.849 2.688 0 1 FFAF CCN1CCN(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1 1857583046 XEMCNPZNSNBIMI-UHFFFAOYSA-N 371.506 2.580 0 1 FFAF NC(=O)OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(N)=O 1644291 FYNCVWMPCPGNDH-UHFFFAOYSA-N 366.377 2.730 0 1 FFAF COc1ccccc1C(=O)NC[C@@H]1COCc2nc3c(C)cccc3n21 2356430374 JVAHGLQIYDMUFV-CQSZACIVSA-N 351.406 2.855 0 1 FFAF CC(=O)Nc1ccc(CNC[C@@H]2COCc3nc4ccccc4n32)cc1 2356375264 XCHCYSTYRSQTGX-QGZVFWFLSA-N 350.422 2.856 0 1 FFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NCc2cnc3ccccc3c2)cc1 2356287373 HVLAZSKFCJBSJA-VXSCBNMQSA-N 364.445 2.611 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4C)C[C@@H]3C2)n1 116822558 PVMOBCZNGPEPLG-HZPDHXFCSA-N 354.429 2.749 0 1 FFAF COc1cc(C)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116822838 HINOQGSKIVQJQS-IAGOWNOFSA-N 366.465 2.619 0 1 FFAF Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 2356674590 NTRBFEXAUXLBOB-OALUTQOASA-N 371.525 2.869 0 1 FFAF COc1ccc(NC(=O)C[C@]2(C)N=C(c3ccccc3F)N(C)O2)cn1 74374449 OLVSACOGBUATOJ-GOSISDBHSA-N 358.373 2.598 0 3 FFAF CN(C)C(=O)CN1CCC2(CC1)CC(=O)c1c(ccc3ccccc13)O2 39226848 IUSOKTQZDIARKN-UHFFFAOYSA-N 352.434 2.728 0 1 FFAF COc1cccc(CC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 74377719 JPRWLOJJVFFCOR-RTBURBONSA-N 350.418 2.808 0 3 FFAF O=C1c2ccccc2CCCN1CCCN1CCN(c2ccccn2)CC1 40917729 MWUMXOQHNPRQCI-UHFFFAOYSA-N 364.493 2.682 0 1 FFAF Cc1cc(-n2cnc3cc(F)c(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1 96167840 PPFHEQNSISDCHN-VIFPVBQESA-N 356.340 2.693 0 1 FFAF Cc1ccc(C(=O)[C@H]2C[C@H](C(=O)OCC(F)(F)F)[C@@H]3C=CC=NN32)cc1 96914601 NRBBNTRQNAGDOT-SOUVJXGZSA-N 366.339 2.898 0 1 FFAF O=C1N2CCc3ccccc3[C@@H]2CS(=O)(=O)N1Cc1ccc(F)cc1 96019134 RXLSIMUUTFZXDN-KRWDZBQOSA-N 360.410 2.691 0 3 FFAF OC[C@@H]1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1 299871730 ZCQZGZABGOPUNK-GFCCVEGCSA-N 354.458 2.518 0 1 FFAF O=C1OCC2=C1[C@]1(C(=O)Nc3ccccc31)c1c(-c3ccccc3)n[nH]c1N2 299869074 TYOPFCFKDHACCI-NRFANRHFSA-N 370.368 2.551 0 1 FFAF COc1cc(C)c(N)c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 587250416 VVEVINCNZHEDKE-UHFFFAOYSA-N 363.421 2.885 0 1 FFAF Cc1csc([C@@](O)(Cc2nc3nc(Cl)c[nH]c-3n2)C(F)(F)F)n1 587094753 UXWMZPIAIBQHKD-NSHDSACASA-N 363.752 2.715 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 586930574 MBPLHYHXNAHYNV-UHFFFAOYSA-N 365.846 2.704 0 1 FFAF COC(=O)c1cc2nc(CC(=O)N(C)C)[nH]c2c(F)c1Nc1ccccc1 587197866 WIMQPKGNWTURGP-UHFFFAOYSA-N 370.384 2.863 0 1 FFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccccc2[nH]1 587129072 ROILUMNOAACZRZ-UHFFFAOYSA-N 361.327 2.987 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 587790485 CZCUFOGULJJUFI-MLXNANBUSA-N 368.206 2.807 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527852 UYVGROOBWJZNHS-CQSZACIVSA-N 356.378 2.877 0 1 FFAF COc1ccc(Cl)c2c1CCN[C@@]2(Cn1cncn1)C1(Cl)CC1 963256494 CQEAFGOWRABONP-MRXNPFEDSA-N 353.253 2.753 0 1 FFAF CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3ccnn3C)C2)c1 11662669 RFKOEHPVPBJEPR-MRXNPFEDSA-N 355.438 2.942 0 3 FFAF CCSc1ncc(CN2CC[C@@]3(CCCN(CCOC)C3)C2)cn1 12089969 IDNLWDWCWPAONE-GOSISDBHSA-N 350.532 2.523 0 1 FFAF Cc1c([C@H](C)O)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O 14965056 HOBAZBKVMNJTCP-JTQLQIEISA-N 353.371 2.686 0 1 FFAF Cn1cc(NC(=O)CCCCCNC(=O)N2Cc3ccccc3C2)cn1 167260785 JGXBEKZSIKOKRC-UHFFFAOYSA-N 355.442 2.644 0 1 FFAF C[C@@H]1OC2(CCN(CCc3cccnc3)CC2)CN(c2ccccc2)C1=O 1857611089 VHICOZJIGXAXOC-SFHVURJKSA-N 365.477 2.911 0 1 FFAF CC[C@@H]1N=C(C)C(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)=N1 1857744891 FRBFMNOYWGDUQI-OAHLLOKOSA-N 353.392 2.874 0 1 FFAF Cc1cc(N2C(=O)c3ccc(C(=O)N4CCCC[C@H]4C)cc3C2=O)no1 3014980 BWYFQBQAZSUOET-LLVKDONJSA-N 353.378 2.798 0 1 FFAF O=C(Nc1cccnc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4123843 KGLYIRXSMIVVTN-MHGIMSBQSA-N 359.385 2.645 0 1 FFAF Oc1cc(O)cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 103256468 XGGJRXOHVXJAGB-UHFFFAOYSA-N 364.361 2.686 0 1 FFAF COC(=O)c1ccc(N(C)CC2=Nc3c(cc(N)nc3Cl)NC2)cc1 28099339 LLWYXWRYTROKIF-UHFFFAOYSA-N 359.817 2.738 0 1 FFAF CC(=O)O[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 2356481977 DDRUVFKWNXGBTK-AQZWWPQGSA-N 354.450 2.790 0 1 FFAF N[C@H](c1ccccc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 61930629 KXMLZYLDFUFORY-OAHLLOKOSA-N 360.464 2.582 0 3 FFAF O=C1c2cc3c(cc2OCN1CCc1cccs1)C(=O)N1CCC[C@@H]1O3 72174929 VJAKUZCZNBHHGY-KRWDZBQOSA-N 370.430 2.737 0 1 FFAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)C[C@H](O)C[C@@]21C 14690079 UONMWBMUAZUNTE-WQZPPZBRSA-N 350.411 2.733 0 1 FFAF biogenic CCc1ccc([S@]2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc32)cc1 73164219 AQCKHOPQHQXGMI-NRFANRHFSA-N 369.489 2.575 0 1 FFAF O=C1c2c(Cl)cccc2-c2nn(CCN3CCNCC3)c3cccc1c23 82153970 YGZMSSQJSOSLPO-UHFFFAOYSA-N 366.852 2.806 0 1 FFAF CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@@]2(CC4=O)C[C@@]12Nc1ccccc1C2=O 238754379 YKFNOTOSNMPNBB-RWXMBLCBSA-N 364.445 2.804 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(C)[C@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 253966504 AALLCALQGXXWNA-POPRDNRNSA-N 358.390 2.533 0 1 FFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 299883981 SHXDZTNHAUJFPI-ZMSDIMECSA-N 362.813 2.912 0 1 FFAF COC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2n1 587117714 VRJPJNDYEKLDJP-UHFFFAOYSA-N 359.695 2.817 0 1 FFAF COc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587946906 ZZOVQJADXNVGNS-UHFFFAOYSA-N 360.370 2.662 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(F)cc2[nH]1 587569251 PTDOPKAGQCCXRZ-UHFFFAOYSA-N 368.405 2.630 0 1 FFAF CC(C)(CC(=O)O)Cc1nc2cc(I)cnc2[nH]1 587955517 LUKJUCCFYREPSO-UHFFFAOYSA-N 359.167 2.606 0 1 FFAF Nc1ncc(Cl)nc1-c1nc2cccc(I)c2[nH]1 587088153 SVPSYQFFBUQHNZ-UHFFFAOYSA-N 371.569 2.860 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N(C)C)cc1)O2 587385963 GEGPONIMWGIALH-NRFANRHFSA-N 368.433 2.925 0 1 FFAF Oc1ccc2c(c1)[C@H](c1c(I)ccnc1F)NCC2 963329382 NOCUNXWUZFQMSO-CYBMUJFWSA-N 370.165 2.766 0 1 FFAF CCOC(=O)[C@]1(CCc2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962913841 RMJZVZASIFYKMZ-LAUBAEHRSA-N 371.408 2.816 0 1 FFAF CCn1cc([C@]2(CC(=O)C(F)(F)F)NCCc3ccc(O)cc32)cn1 963342662 RHEZXFYWJSFXPY-INIZCTEOSA-N 353.344 2.519 0 1 FFAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963236944 SWULLTIAHZXQPZ-ICSRJNTNSA-N 364.401 2.940 0 1 FFAF COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@H](O)CNC(C)C)c1 1772580681 XBNIYPGUVGQODQ-CQSZACIVSA-N 353.459 2.670 0 1 FFAF CCCn1c(=O)c2[nH]c(-c3cc4ccccc4n3C)nc2n(CCC)c1=O 12405322 VCVUKWLDXKSIKJ-UHFFFAOYSA-N 365.437 2.865 0 1 FFAF Cc1nc([C@@H](NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207365120 AQMXYUZTUBYUNT-HNNXBMFYSA-N 369.425 2.715 0 1 FFAF Cc1c(C(=O)N2CCCC2(C)C)cnn1-c1nc(O)c2sccc2n1 1857590398 IPZBTQJUQQPCLJ-UHFFFAOYSA-N 357.439 2.906 0 1 FFAF CSc1nc(N)c2c(n1)N=C1COC(=O)[C@H]1[C@@H]2c1cccc(Cl)c1 1857598051 RSROVWGACPSMNX-WDEREUQCSA-N 360.826 2.825 0 1 FFAF Cc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1 2966595 CBDJGOOMSQKIOQ-UHFFFAOYSA-N 363.454 2.798 0 1 FFAF CCO/C(O)=C1\SC[C@@H](C(=O)NCc2cccc(OC)c2)N=C1C 103533318 DJJYSEGNOLDLHA-MBUFOBGISA-N 350.440 2.651 0 1 FFAF C[C@H]1CCC[C@@H](NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)[C@@H]1C 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N=c1[nH]c2nc(-c3cc4cnccc4nc3C(F)(F)F)nc-2c(Cl)[nH]1 587116162 QNPPPIGZHLILSN-UHFFFAOYSA-N 365.706 2.999 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccccc41)[C@@H](C2)C3=O 587454881 ZFOQYEPCIWFZBS-RNODOKPDSA-N 350.326 2.699 0 1 FFAF CC[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582039 NHJSEAAPIGVBDZ-DNVCBOLYSA-N 351.362 2.788 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(=N)N)cc3[nH]2)C(F)(F)C1 587132293 PNBQXXVGVRGARB-JTQLQIEISA-N 365.384 2.817 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587735 HLOAODISEKNVAD-RDTXWAMCSA-N 366.329 2.605 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccnc2)N1 587775669 SZVBZOHZJLCEMT-ABKXIKBNSA-N 365.202 2.846 0 1 FFAF Oc1nc(S)nc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587121118 SUWMMXFACXUKNK-UHFFFAOYSA-N 370.238 2.775 0 1 FFAF COc1cccc2cc3c(nc12)[C@]1(CC[C@]2(O)CC(=O)CC[C@@]21C)NCC3 963062459 CZZASLZDCXZWIP-FKBYEOEOSA-N 366.461 2.869 0 1 FFAF C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1ccn[nH]1 205143171 RLSAEILUFWVCTN-NSHDSACASA-N 354.801 2.617 0 1 FFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 5712184 AVZSESMPTLEEHD-TVKQPGBESA-N 352.342 2.624 0 1 FFAF Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12385847 GXLKSVCDXUMIAV-AWEZNQCLSA-N 357.364 2.691 0 3 FFAF COc1cc2c3c(cccc3n1)C(=O)N(CCCN1CCCCC1)C2=O 169351723 WYQZLFRGSYUBBJ-UHFFFAOYSA-N 353.422 2.715 0 1 FFAF NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 207731444 IMYYXVPLFPMRSG-SFHVURJKSA-N 371.481 2.912 0 1 FFAF O=C(O)c1cccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 1857535379 HMFOGXNVKKKQKC-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)CCS3)CC1 4057680 NSSOBMWFLJIESG-UHFFFAOYSA-N 363.483 2.579 0 3 FFAF CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1 59032057 MVRKXURTIJFBPH-UHFFFAOYSA-N 374.452 2.732 0 1 FFAF COc1ccccc1CNS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 102402332 JNHBCKXMWHPOFD-KDOFPFPSSA-N 351.468 2.510 0 1 FFAF CNC(=O)c1cn2c(-c3ccc(F)cc3)nc3c(NC)c(F)cc(c1=O)c32 101635958 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357.362 2.774 0 1 FFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1F)C2 95794201 KYUJWOVKZADPGD-TZIWHRDSSA-N 368.452 2.777 0 1 FFAF N[C@H]1C[C@@H](N2Cc3cnn(CC4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F 96177963 XPQBRJDVVUGRBM-MOXGXCLJSA-N 374.435 2.744 0 1 FFAF CN[C@H](C(=O)O)[C@H](O)[C@H](C)C/C=C/CCC[n+]1cccc2ccccc21 263620840 OJLVMXCNIXABEP-ITMQFOJVSA-O 357.474 2.523 0 1 FFAF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1c(C)nn(C)c1C)O2 587388845 BIKLWHABGZSSOW-AQWUKCDYSA-N 354.454 2.864 0 1 FFAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 587026186 BEQLTQUODYULLQ-UHFFFAOYSA-N 374.447 2.826 0 1 FFAF O=C1COc2cc3[nH]c([C@@H]4CS[C@@H](Cc5ccccc5)N4)nc3cc2N1 587043113 YEDVJECJSICSKH-YJBOKZPZSA-N 366.446 2.840 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(F)CCOC2=O)N1 587719615 LKKCGZXOSZBLSD-BKQRNIBNSA-N 360.198 2.993 0 1 FFAF CC(=O)N1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 198322605 PLZLTKONMCWPLT-UHFFFAOYSA-N 363.417 2.713 0 1 FFAF CC(C)([C@H](O)CN1CCCS1(=O)=O)n1c2ccccc2c2ccccc21 148369895 RJZVJCVESVPNND-LJQANCHMSA-N 372.490 2.926 0 1 FFAF Cc1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)c(=O)nc1O 1772643065 ZERYNRIDJFGPJE-UHFFFAOYSA-N 350.422 2.643 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CC(N)C3)c2cn1)c1ccccc1 1772582681 PGGYRHDAUXAEOA-LMWSTFAQSA-N 365.441 2.742 0 1 FFAF Cc1ccsc1S(=O)(=O)N[C@@H](C)c1cnn(-c2ccccn2)c1C 11665044 XPQKMTZZULWPQX-LBPRGKRZSA-N 362.480 2.985 0 1 FFAF O=C1C[C@@H](C(=O)Nc2cc(C3CCCCC3)n(-c3ccccc3)n2)CN1 169706981 RLAGHNUFXXFUAJ-OAHLLOKOSA-N 352.438 2.995 0 1 FFAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 1857560045 QHZSIIDBDGOHGJ-UHFFFAOYSA-N 358.454 2.850 0 1 FFAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(NC(=O)c1cc(Cl)ccc1O)C2=O 2054355 NRQAGOUXTIHAPO-DIFFPNOSSA-N 350.802 2.502 0 1 FFAF O=C1O[C@H](CCc2ccccc2)C[C@H](O)[C@@H]1[C@@H](O)C=Cc1ccccc1 2356379205 LOSIRASUEKGOFD-ANULTFPQSA-N 352.430 2.986 0 1 FFAF CCCc1occ([C@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC 2356284146 PTURLEMJRNTESX-QGZVFWFLSA-N 360.362 2.878 0 1 FFAF COC(=O)c1ccc(-c2noc(CN(C)Cc3ccncc3C)n2)cc1 55053790 RSZXYZRECQBIFW-UHFFFAOYSA-N 352.394 2.859 0 3 FFAF COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)O)(C2)[C@H]13 101970993 UJXMSPIANCHPAO-KSWFMABOSA-N 354.450 2.793 0 1 FFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 2356298401 BANLAOFILPITPI-JKIFEVAISA-N 361.511 2.880 0 1 FFAF O=C(O)C[C@@H]1CCc2cc(NC(=O)CCC3CCNCC3)ccc2C1=O 27299518 YALRFBCGKJZLOS-HNNXBMFYSA-N 358.438 2.625 0 1 FFAF CC[C@@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 40860305 LAJPWWATQVPFEQ-ZDUSSCGKSA-N 355.446 2.597 0 1 FFAF Nc1ncnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc12 139682932 LQQMTMBACPVSDW-UHFFFAOYSA-N 353.389 2.908 0 1 FFAF COC[C@H](Cc1ccccc1)Nc1nc(N2CCCN(C)CC2)ncc1C 82202856 FKWPCBWAPCMENS-IBGZPJMESA-N 369.513 2.597 0 1 FFAF O=C(O)c1ccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)cc1 82081684 OXCPNDUYMLFPOH-UHFFFAOYSA-N 366.329 2.699 0 1 FFAF COc1ccc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)cc1 95603189 BMASJJOJXPLURJ-OAQYLSRUSA-N 365.433 2.905 0 1 FFAF O=c1cc(O)n(CCc2cccc(Cl)c2)c(=O)n1[C@@H]1C[C@@H]2CC[C@H]1C2 96270149 YAGXNBHCULBCFD-IJEWVQPXSA-N 360.841 2.973 0 1 FFAF C[C@@]12C3=CCC[C@@H]1[C@@]1(C[C@@H](c4ccoc4)OC1=O)[C@@](C)(O)C[C@@H]2OC3=O 238756529 YWJBBRRBIYZQTA-MXZSYGRSSA-N 358.390 2.677 0 1 FFAF O=C(O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1 473120083 BTZBYLGUPBBXFY-UHFFFAOYSA-N 363.329 2.651 0 1 FFAF CCN1CC[C@]2(CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767236 JHDYAJHMACWZPB-MGPLVRAMSA-N 355.251 2.960 0 1 FFAF COC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586978845 KMWHUGXIVMTIIV-UHFFFAOYSA-N 363.215 2.974 0 1 FFAF COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1OC 587926062 HCWQYGNLJIAIOJ-UHFFFAOYSA-N 364.379 2.502 0 1 FFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586961068 FKLCFNKNWGROHM-MRVPVSSYSA-N 371.401 2.819 0 1 FFAF COC[C@]1(C2CCOCC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962712690 NYSRPIREBQINRZ-DOTOQJQBSA-N 357.372 2.601 0 1 FFAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963236947 SWULLTIAHZXQPZ-UYAOXDASSA-N 364.401 2.940 0 1 FFAF CNCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651130 RLZOQWGZLJNRQT-IBGZPJMESA-N 361.445 2.904 0 1 FFAF CC(=O)OCCc1ccc(O)c(-c2cc(CCOC(C)=O)ccc2O)c1 1857638533 DVHZIJWYPVRSNG-UHFFFAOYSA-N 358.390 2.976 0 1 FFAF CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCC1 2938974 XLRYYNHSKBBNBQ-RHSMWYFYSA-N 352.500 2.747 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@]2(C)CO)ccc1O 2356375357 ABQRSIJJVGOZCP-RTWAWAEBSA-N 374.433 2.718 0 1 FFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2C 100086884 BAKRXZDPOGTBEN-FICVDOATSA-N 352.276 2.649 0 1 FFAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccccn4)C[C@@H]3F)[nH]c2c1 2356301970 IZKZRBBMBLTPJH-MAUKXSAKSA-N 356.401 2.706 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1 68243792 BYAPZRHKPHZQDG-CQSZACIVSA-N 369.473 2.784 0 1 FFAF CC1=CN(CC(=O)c2ccc(I)cc2)[C](N)C=C1 2356829809 PHZXGAIHINBZMT-UHFFFAOYSA-N 353.183 2.698 0 1 FFAF O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1Nc1ccccc1 28381405 APGXSWCOZAHJDR-UHFFFAOYSA-N 361.401 2.503 0 1 FFAF Cc1cn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccnc43)cc2)cn1 49071835 VXFLYKWETSEHQD-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF CCOC(=O)C[C@@H]1C[C@H](n2cc(-c3ccccc3)c3c(N)ncnc32)CN1 40899241 NSBNFOWYPJTLFF-GJZGRUSLSA-N 365.437 2.537 0 1 FFAF COc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)C2=S)cc1 40395208 CUWSKEMXMOLGBY-UHFFFAOYSA-N 370.430 2.587 0 1 FFAF C/C=C(/C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@H](C(C)C)CC(=O)[C@]12C 238777319 UXXJAHJNHYCPJW-CUXGWVJJSA-N 350.455 2.559 0 1 FFAF COc1cc(-c2cc(=O)n3ncc(-c4ccnn4C)c3[nH]2)ccc1Cl 142825461 HVMPGZCMKKFVFI-UHFFFAOYSA-N 355.785 2.752 0 1 FFAF CCOC(=O)C[C@@H]1O[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 95569376 JRDPYMUGXIWUEZ-ULQDDVLXSA-N 367.467 2.606 0 3 FFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519245 WVTQMVZJIYPUCM-LBPFBCOMSA-N 369.461 2.925 0 1 FFAF COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2C[C@@H]1C(=O)O 587212904 SCGCFERTXMRLDD-ZJNRKIDTSA-N 366.417 2.590 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 587558359 REVSEIOGTOWEIS-DGCLKSJQSA-N 372.425 2.865 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CCC(=O)O)c1C)O2 587390197 LBTIOUXKDKKTRI-LJQANCHMSA-N 357.410 2.746 0 1 FFAF O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1)N1CCC1 586955704 SNXWKTQRWLXTBB-UHFFFAOYSA-N 363.826 2.983 0 1 FFAF Cc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccc(Br)cc1 587366665 OTTFNUHCIVGJNX-UHFFFAOYSA-N 374.194 2.932 0 1 FFAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029124 ICDTVQFMXBOMRE-UHFFFAOYSA-N 352.423 2.877 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](O)SCC(=O)O)O2 587409316 LHTDMYLHYZXJNH-OALUTQOASA-N 373.430 2.574 0 1 FFAF CN(CCO)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334117 HLKCLRNVCLALEV-AZUAARDMSA-N 359.397 2.573 0 1 FFAF COc1cc2c(cc1OC)[C@]1(CCCC[C@@H]1S(C)(=O)=O)N(C)[C@@H](C)C2 962641564 SUVRJMYCMDGRPH-AGRHKRQWSA-N 367.511 2.763 0 1 FFAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccc(F)cc2)cc1 166283680 FRCJJDQYJJIVLN-QGZVFWFLSA-N 373.380 2.860 0 1 FFAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 147189503 NMMBOAVVJDOKHT-RORWEDLISA-N 352.814 2.991 0 1 FFAF CCSC(=S)N1CCN(C(=S)SC(=S)N(C)C)CC1 1857644485 SMKZVMIGJASPHX-UHFFFAOYSA-N 353.629 2.507 0 1 FFAF COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC 5891572 WRLXLJUKEGXYMH-UHFFFAOYSA-N 374.466 2.975 0 1 FFAF Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1 14955111 XXEKJQYAFNAQAC-UHFFFAOYSA-N 372.196 2.921 0 1 FFAF COC(=O)c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)o1 4327819 ZJMCOLRHKRVOLG-UHFFFAOYSA-N 367.390 2.858 0 3 FFAF CCn1c(C)c(CCC(=O)O)c(=O)n2nc(-c3ccccc3OC)cc12 4435591 DECKMPWAODWCFT-UHFFFAOYSA-N 355.394 2.517 0 3 FFAF O=C1CN2Cc3cc(OCCCC(=O)OC4CCCCC4)ccc3N=C2N1 26944816 WWKQADCLGDDKCR-UHFFFAOYSA-N 371.437 2.654 0 1 FFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1[nH]cnc1Cl 103169346 NUMXDMNWFHYYJP-GFCCVEGCSA-N 367.833 2.813 0 1 FFAF CCCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27743377 ZZOQPXQYDQKGEB-AWEZNQCLSA-N 374.481 2.899 0 1 FFAF O=C(O)CCN1CCN(CCOC2c3ccccc3-c3ccccc32)CC1 29321355 ZZRPMSXIZZYRIC-UHFFFAOYSA-N 366.461 2.865 0 1 FFAF O=C(O)C[C@@H]1[C@@H]2C=C[C@@H]3C(c4ccc5c(c4)OCO5)=C[C@H](O)[C@@H]4C[C@@H]1[C@@H]2[C@H]34 2356418157 XYHDKVJBIKILGM-AGARQSTJSA-N 366.413 2.948 0 1 FFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCC2CC2)O3)c1 61908509 OKLUMSAJQXVYEA-NRFANRHFSA-N 365.433 2.927 0 3 FFAF CC1=CCC[C@H]2[C@](CO)(CCC(=CCO)CO)[C@@H](C)C[C@@]2(C(=O)O)C1 2356538010 OGPOPMOZVDUDLJ-UHMOLFJZSA-N 352.471 2.514 0 1 FFAF CC[C@H](O)C=CC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356707897 AOPOCGPBAIARAV-IPMKNSEASA-N 350.455 2.905 0 1 FFAF Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1 28134285 VGOOFUGEHCADCQ-UHFFFAOYSA-N 353.447 2.837 0 1 FFAF COc1ccccc1-n1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)nn1 66157366 CFJFLLZSFKFJNL-UHFFFAOYSA-N 369.377 2.533 0 1 FFAF COC[C@@H](C1CC1)n1nc(C)nc(Nc2c(C)cc(OC)cc2C)c1=O 49110066 NRPDDEJXLJAYLM-INIZCTEOSA-N 358.442 2.913 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CC[C@H](NC(=O)c3ccccc3)C1)C2 84634338 HBKRWXFJDGMODH-HTUJPFKRSA-N 371.481 2.643 0 1 FFAF COc1cc([C@H]2SCc3c(CO)c(CO)c(C)n32)cc(OC)c1OC 95595407 RKHSYDAYHYZAOX-GOSISDBHSA-N 365.451 2.601 0 1 FFAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC1CCNCC1 98082196 AZNTUSCWIJJAIH-JQBYJRRVSA-N 372.468 2.878 0 1 FFAF CC(=O)NC1(c2ccccc2)CCN(CC(=O)N(C)c2ccccc2)CC1 621476060 BAYDIOCPZLWCFY-UHFFFAOYSA-N 365.477 2.777 0 1 FFAF O=C(O)C[C@H]1COc2cc(OCc3cn(-c4ccccc4)nn3)ccc21 653737610 IYEGGYYEGKLCGS-ZDUSSCGKSA-N 351.362 2.797 0 1 FFAF C[C@]1([C@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597854 WQKGUZSBTDJCMJ-GQWAEJPESA-N 353.374 2.639 0 1 FFAF NC(=O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007422 LFLPSJDZCWIFRC-UHFFFAOYSA-N 356.183 2.739 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963837 UISNRFIWVLPUGD-OLZOCXBDSA-N 363.483 2.751 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncccc12 587789400 CIKUUWWNABUBDZ-BCTVWOGZSA-N 362.202 2.713 0 1 FFAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587142210 NSLPGDLZFQZDFM-UHFFFAOYSA-N 361.185 2.718 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C)N([C@@H](C)C(=O)O)C(=O)C2)N1 962941961 FLDJUFHVGVZNIN-RXSFTSLZSA-N 367.449 2.897 0 1 FFAF COc1ccc(-c2noc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)n2)cc1 962903411 XDNGLBJIGWTUJP-HOCLYGCPSA-N 369.352 2.573 0 1 FFAF CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 205672447 CIWHQJBTCNPDOW-MCIONIFRSA-N 356.359 2.597 0 1 FFAF O=C1SCC[C@@H]1NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772576186 STMLYAWCFJBSAW-OBJOEFQTSA-N 370.482 2.501 0 1 FFAF COc1ccc(CCN2CCC(CN(C)C(=O)[C@H]3CCCO3)CC2)cc1 12613317 SKGKMCLGZAJYEB-HXUWFJFHSA-N 360.498 2.587 0 1 FFAF Cc1c(C(=O)C(N)=O)c2c(/C=C/C(=O)O)cccc2n1Cc1ccccc1 13446158 SJWCGAHRKDSEKC-ZHACJKMWSA-N 362.385 2.764 0 1 FFAF COc1cc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c2cc1SC 13737683 KGGCOOCPFBHLRF-UHFFFAOYSA-N 356.403 2.904 0 1 FFAF Cc1ccc(CNC[C@@H]2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1 13775977 DPKPCJJKKOEQBE-SFHVURJKSA-N 360.479 2.850 0 1 FFAF Cc1nnsc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 14950572 LPKCNQXQFAIMKF-UHFFFAOYSA-N 353.451 2.808 0 1 FFAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccco1 169351542 AWALCQKIUSENAY-ZLLRHVLKSA-N 360.406 2.864 0 1 FFAF CN(C)CCNc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3 205623843 LFDDRAXMGKJIRZ-UHFFFAOYSA-N 368.462 2.990 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCC(C)(C)C3)c2CC(C)C)n1 1857604775 NOXHKAWGPPZWGR-UHFFFAOYSA-N 357.458 2.747 0 1 FFAF CN(C)CCCNCc1cc(O)c(Br)cc1Br 103269971 WOZVLBMIKCZADT-UHFFFAOYSA-N 366.097 2.959 0 1 FFAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccncc3)sc12 64550084 BFNCPOVPMNPESI-LBPRGKRZSA-N 353.451 2.621 0 1 FFAF Cn1ncc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21 28950571 XYQHFANSFNCIJR-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NCCO)(c1ccsc1)C(=O)N2 219462088 UNRZMIKPVAUBIO-LJQANCHMSA-N 369.446 2.798 0 1 FFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(N(C)C)cc1 2356458071 FLIUGFLPGWNTCS-ZVDOUQERSA-N 372.557 2.535 0 1 FFAF CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccn2)on1 8623791 YXAJKSXVZZOYGR-HOTGVXAUSA-N 356.470 2.763 0 1 FFAF biogenic CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)c(F)c1 72108985 XCEJVZUIMKOKDS-UHFFFAOYSA-N 371.416 2.805 0 1 FFAF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3ccccc23)C(=O)N1 14585615 ZPYSWVAWFDJYIM-QZTJIDSGSA-N 359.385 2.907 0 1 FFAF biogenic Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3ccncc32)cc1 49070417 LZGUJTKKQCIPJG-UHFFFAOYSA-N 360.373 2.637 0 1 FFAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40845189 XVCPJTOXEFSVQO-DGJFXRHUSA-N 368.385 2.614 0 1 FFAF COc1cc2c(cc1O)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2 84709627 MGVDVMXKPXRHQC-KRWDZBQOSA-N 371.433 2.566 0 1 FFAF CO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@@H]1OC(=O)N(C)C 87723516 DIQQLBPGHRQICQ-DTGLCGDCSA-N 360.454 2.727 0 1 FFAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1 96928911 DIYMBFVYTANFSU-UHFFFAOYSA-N 354.358 2.651 0 1 FFAF C[C@H]1CN(c2cc(=O)[nH]c(NCc3cccc4ccccc34)n2)CCO1 95557463 LEGCWDRQKXHGEB-AWEZNQCLSA-N 350.422 2.760 0 1 FFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ncccc1Cl 95580223 CCMFLWYZPJPINP-DLBZAZTESA-N 356.857 2.565 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(F)cc1)O2 587384404 LLLROJNDPDIPFK-GOSISDBHSA-N 363.410 2.622 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963676 QCPZAOQWUGLVOZ-STQMWFEESA-N 363.483 2.799 0 1 FFAF Oc1nc(O)c2ccc(Cc3ccc(F)cc3Br)nc2n1 587368759 WLGMIFWTGJHCOY-UHFFFAOYSA-N 350.147 2.928 0 1 FFAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586945730 AQVSFAWBIMQBQK-OAHLLOKOSA-N 371.462 2.996 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCO)nc1)CC2=O 587468058 GWRDAFDKRKOMAR-GOSISDBHSA-N 356.422 2.875 0 1 FFAF COC(=O)c1cc(OC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC 587945292 MPNGSZPVMBPPNB-CYBMUJFWSA-N 370.308 2.914 0 1 FFAF C[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584821 BFXLELCDQOVPAD-GHTZIAJQSA-N 369.417 2.835 0 1 FFAF Cc1nn(C)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584316 ZQNKKYVLYDBPBH-QAPCUYQASA-N 351.362 2.719 0 1 FFAF NS(=O)(=O)c1cc([C@@H]2NCCc3cc(Cl)ccc32)ccc1Cl 963390045 FJZBLYKASAYFCG-HNNXBMFYSA-N 357.262 2.876 0 1 FFAF COc1cc(C(=O)NCc2ccc(F)c(C(=O)O)c2)ccc1-c1cn[nH]c1 1772579874 RJXSCRRYUBZADY-UHFFFAOYSA-N 369.352 2.853 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@@H](C)O)c12 1772645093 HRBVXJZQWVKRPG-GHMZBOCLSA-N 355.398 2.903 0 1 FFAF CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 15941938 NTQAPFUYOPTMER-UHFFFAOYSA-N 358.463 2.761 0 3 FFAF O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1ccccc1 205625467 UZLUVADDCQYLCO-UHFFFAOYSA-N 369.446 2.872 0 1 FFAF CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 1544811 VUYSXYHJEIPUTG-CQSZACIVSA-N 368.861 2.856 0 1 FFAF COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1O 1647156 LJRHCSDSZAWZEF-UHFFFAOYSA-N 372.329 2.920 0 1 FFAF COC(=O)[C@]12CC3(CC[C@@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 102643309 FIBTWTLJSKPPQB-OCROGBPLSA-N 370.445 2.780 0 1 FFAF COC(=O)/C=C/c1cccc2c1N(Cc1ccc(OC)cc1)C(=O)C2=O 103230084 XNBOBWTXBXCAEX-DHZHZOJOSA-N 351.358 2.611 0 1 FFAF COc1ccc(C2=NN(CCN(C)C)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26566956 XBAAJWHLDYXCQR-HOTGVXAUSA-N 359.470 2.618 0 1 FFAF Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)n[nH]1 20538756 NGJPHJNLOVZUGK-RTWAWAEBSA-N 366.509 2.763 0 1 FFAF CC(=CC(=O)O)CCC1=C(C)C[C@H](O)[C@@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO 2356573454 NUTCNEOTPPOFED-APQLOABGSA-N 352.471 2.654 0 1 FFAF COC(=O)[C@H]1[C@H]2C=C(c3ccccc3)[C@@H]([C@@H]1CO)N(Cc1ccccc1)C2 2356723519 LYFMPIOFKDBKLF-FKVLARQCSA-N 363.457 2.982 0 1 FFAF O=C1NCCCN1c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1 72110827 DTRYVFRXWVPSHH-UHFFFAOYSA-N 350.371 2.513 0 1 FFAF O=C1NCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]1Cc1c[nH]c2ccccc12 71295928 AEEAOFWHSOLBRE-GOSISDBHSA-N 367.836 2.891 0 1 FFAF Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3cccs3)CC1)[C@H](O)C2 49066490 AJBXLAOVKALTRM-QZTJIDSGSA-N 356.491 2.753 0 1 FFAF CN1CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1C=O)OCO2)OCO3 14930665 HYWZGQMUNYHGNN-MRXNPFEDSA-N 353.374 2.728 0 1 FFAF biogenic O=C(O)C(=O)N(c1ccccc1C(=O)O)c1c(O)ccc2ccccc12 43020262 OJVUXNXBEGMXLI-UHFFFAOYSA-N 351.314 2.993 0 1 FFAF O=C(N[C@H](Cc1ccccc1)Cc1nnn[nH]1)c1ccc2ccccc2c1 49087956 WIXDNONHKDPKCM-LJQANCHMSA-N 357.417 2.937 0 1 FFAF O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]12C[C@H](O)CO2 95599228 NKJFHZQIXVHIBA-KBXCAEBGSA-N 374.234 2.972 0 3 FFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CNC(=O)c2ccccc2F)cc1 95895559 ZBARKINODJGYIU-JHHKNUSCSA-N 354.425 2.705 0 1 FFAF COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2ccccc2)C3)cc1 95579602 MPIUBZYIUORHRZ-UHFFFAOYSA-N 362.389 2.827 0 1 FFAF CCc1c(Sc2cc(C)cc(C)c2)n(OCCO)c(=S)[nH]c1=O 98084583 QVCHSFSHWNVQCU-UHFFFAOYSA-N 352.481 2.657 0 1 FFAF CC(C)[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 95594905 NCBDOQFSGNRAHL-AWEZNQCLSA-N 355.446 2.975 0 1 FFAF c1ccc(C[C@@H]2CCC3(CCN(c4ncnc5[nH]cnc45)CC3)NC2)cc1 96910997 YKKDWWUEJJZKOW-KRWDZBQOSA-N 362.481 2.934 0 1 FFAF COc1ccc([C@@H](N)c2nc3ccc(-c4c[nH]nc4C)cc3c(=O)[nH]2)cc1 95585922 AATRABILWFVXRE-GOSISDBHSA-N 361.405 2.678 0 1 FFAF NC1CC(Cc2nc3c(Br)cnc(Br)c3[nH]2)C1 587255795 XDDYZQDHEVEBMH-UHFFFAOYSA-N 360.053 2.763 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 587392839 DOLUAAIFNKLPSE-JKSUJKDBSA-N 362.426 2.547 0 1 FFAF CS(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587051511 DFPIQJUUDJAJPI-GFCCVEGCSA-N 365.842 2.568 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1C 13153498 LPCKYGOUPHLYKM-ODSSTKGDSA-N 365.429 2.652 0 1 FFAF COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1NC(C)=O 13746302 LLXROWVGGDCVCB-SANMLTNESA-N 370.434 2.542 0 1 FFAF CCOc1ccc(OC[C@@H](O)CNCCOc2ccccc2OC)cc1 1857633247 SHNSNVCIMLRODG-INIZCTEOSA-N 361.438 2.502 0 1 FFAF Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1 3008265 CFYRLQFUKUXJNT-IBGZPJMESA-N 354.425 2.984 0 3 FFAF O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ncccn3)CC2)CC1 3956406 RPRJZWSHNAGGMZ-UHFFFAOYSA-N 372.494 2.548 0 1 FFAF COc1ccc(C(=O)NCC/C=C/CC(=O)Nc2ccccc2N)cc1 117582664 GVZCWKOHPMOGBZ-NSCUHMNNSA-N 353.422 2.982 0 1 FFAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 2356690953 ROUDCKODIMKLNO-DZJNRPSUSA-N 368.470 2.654 0 1 FFAF O=C([C@H]1C[C@@H]1c1ccc(N2CCCC2=O)cc1)N1CCN(C2CCC2)CC1 113834126 GTBRJCANRMKUJN-UXHICEINSA-N 367.493 2.614 0 1 FFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2OC)C1 36380599 IXGJWFCZRGBCKZ-UHFFFAOYSA-N 360.483 2.752 0 1 FFAF O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](CCC2CCCCC2)CCN1 1911583990 QPNAYLJFXBZTRJ-UXHICEINSA-N 365.562 2.554 0 1 FFAF CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 95894357 HLIDLPOCEKCMCM-CMKODMSKSA-N 368.408 2.551 0 1 FFAF COc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1 95582723 NMQKXXPUGDIISQ-UHFFFAOYSA-N 355.375 2.636 0 1 FFAF CNC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(CC(=O)O)cc1 96938271 KVPJFQJMWJPCJW-UHFFFAOYSA-N 362.389 2.874 0 1 FFAF COc1ccccc1[C@@H](C)NS(=O)(=O)NC(=O)OCc1ccccc1 473131256 NHOVAZHAWHJCSY-CYBMUJFWSA-N 364.423 2.517 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ncc(Br)cc21 587374377 XLXLHZXLMNCAST-MRXNPFEDSA-N 374.194 2.548 0 1 FFAF CC(C)COc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br 587197048 HINCAOXSWUPDMZ-UHFFFAOYSA-N 354.248 2.991 0 1 FFAF CC1(C)C[C@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596261 QFQBCCGTZCBHKZ-JXFKEZNVSA-N 353.374 2.781 0 1 FFAF CC1=C(c2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)NNC(=O)C1 586919111 XKYMLVUWRNIYFO-KRWDZBQOSA-N 362.389 2.831 0 1 FFAF COc1ccc2c(c1)[C@](C)(CC(=O)Nc1nccc(C)n1)N[C@H]1CC[C@H]21 962997678 RVTKLMFOUQOHQP-SYNHAJSKSA-N 352.438 2.887 0 1 FFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CO)(c2c[nH]c3cccc(Cl)c23)N1 962926578 XNRGQCIYLANJHM-QFBILLFUSA-N 374.799 2.795 0 1 FFAF C[C@@H]1C(C(=O)N2C(=O)[C@@H](C)[C@@H]3[C@@H]2CCN3C(=O)OCc2ccccc2)[C@H]1C 13471497 UOZDCCIXXAQPLF-KBXBGSNASA-N 370.449 2.673 0 1 FFAF NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534278 FUMDHGFBMAYXOX-XLIONFOSSA-N 364.436 2.817 0 1 FFAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CCC2=O)cc1 13642966 IEUMPFLMUSKQOD-NSHDSACASA-N 352.394 2.683 0 1 FFAF CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207735643 OLPGTIYHMRKFBU-SFHVURJKSA-N 371.481 2.735 0 1 FFAF COc1cccc(OC)c1OCCNC[C@]1(c2ccccc2)COCCO1 1857539427 HMEASZSDPGDKQU-OAQYLSRUSA-N 373.449 2.615 0 1 FFAF C[C@H]1CNC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644826 SNEKQIGUUXKDQP-SMDDNHRTSA-N 359.376 2.847 0 1 FFAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NC[C@H](O)CO 776294 XLIUMQYXZLWZAQ-AWEZNQCLSA-N 368.433 2.875 0 1 FFAF Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1 1378441 BOJOFLNUOOKUES-UHFFFAOYSA-N 372.494 2.938 0 3 FFAF CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCCCCC1 2458871 PSIVDZGBAJMPQU-SFHVURJKSA-N 364.511 2.602 0 1 FFAF COc1cc2c(c(OC)c1OC)[C@H](OC)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@H]21 2356384170 LPEKOSCSUJGQQB-FWYGIPPASA-N 361.438 2.874 0 1 FFAF CCN(CC)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 3803503 GYRPNCDIMUQEEK-UHFFFAOYSA-N 373.478 2.832 0 1 FFAF COc1ccc(C2=NN(CCC(=O)NCc3cccs3)C(=O)CC2)cc1 4668399 PAPXSRPEJGUOEX-UHFFFAOYSA-N 371.462 2.790 0 3 FFAF CCc1nn(CCCC(=O)N2CCC(C)CC2)c(=O)c2cc3occc3n12 6807405 PMWAWXGKAGEGTN-UHFFFAOYSA-N 370.453 2.843 0 3 FFAF c1ccc2c(c1)O[C@H](N1CCOCC1)c1cnc(N3CCCCC3)nc1-2 29209837 WNXWNLXFQRAGBJ-IBGZPJMESA-N 352.438 2.857 0 1 FFAF NC(=O)CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28020141 WLUBUOCSDSVUKG-QUCCMNQESA-N 371.431 2.644 0 1 FFAF CCC=CC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@H](O)CCCC(=O)O 2356676837 ZZMKOZNTEJVKRY-IPMKNSEASA-N 350.455 2.905 0 1 FFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 35459286 IWEYXWIPVZEVPT-VQVRLUHXSA-N 366.461 2.578 0 1 FFAF CC(C)(O)C1=C[C@]2(O)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O 15107589 DTSBZAXGKNOGOS-LGEIONFXSA-N 350.455 2.695 0 1 FFAF biogenic CC(C)Oc1cc(N2CCO[C@H]3C[C@@H]32)nc2c(-c3cc[nH]n3)nccc12 1911570894 UFIHJBPJNYJZNZ-HOCLYGCPSA-N 351.410 2.785 0 1 FFAF O=C1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2cc(Cl)ccc2N1 43021556 QPISGXPPVKQJBH-UHFFFAOYSA-N 358.753 2.766 0 1 FFAF O=C1C[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587530879 WHVWEFTWTHXDRL-OVFFBYSDSA-N 370.401 2.711 0 1 FFAF O=C1C[C@H](c2nc3c(Cl)ncnc3[nH]2)CN1Cc1ccc(F)cc1F 587151218 XJABOBLLPHLTKJ-VIFPVBQESA-N 363.755 2.801 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587205204 ZTTXHIXKAFSRNZ-LLVKDONJSA-N 374.338 2.800 0 1 FFAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)s1 587563581 KHULRRTWWCWSNO-UHFFFAOYSA-N 351.771 2.835 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240799 WZTYQFOMDADDGA-WQBCIRTESA-N 373.457 2.908 0 1 FFAF CCS(=O)(=O)NCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586942470 MEVRQBKVGUTEIV-UHFFFAOYSA-N 353.341 2.593 0 1 FFAF CCOC(=O)C[C@@]1(C[C@H](O)c2ccccc2)NCCc2ccc(O)cc21 963341942 OVDJKAWWSAIDRI-PZJWPPBQSA-N 355.434 2.810 0 1 FFAF COc1ccc(CNc2nc(NC(N)=O)nc3ccccc23)cc1OC 1772619094 DRFSBESSKRBXBM-UHFFFAOYSA-N 353.382 2.750 0 1 FFAF CC1(C)Cc2c(sc(NC(=O)[C@H](O)C(C)(C)C)c2C(N)=O)C(C)(C)O1 1772630674 KNTAYNIZCOGUCX-NSHDSACASA-N 368.499 2.779 0 1 FFAF COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 13910637 DTJQBBHYRQYDEG-QYZKDEOYSA-N 368.477 2.882 0 1 FFAF O=C(c1ccccc1F)N1CCN(c2nc(-c3ccccc3)no2)CC1 15821523 HWMUPJRLTJTDJS-UHFFFAOYSA-N 352.369 2.838 0 1 FFAF CCN1CCC[C@@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC 6385009 CUVDIPGTXCBTQZ-CQSZACIVSA-N 368.449 2.526 0 1 FFAF COC(=O)[C@@H](Sc1nc2c(C(N)=O)cccc2[nH]1)c1ccc(OC)cc1 113799777 NLRJPTWPXHSARW-HNNXBMFYSA-N 371.418 2.677 0 1 FFAF in-vivo O=c1cc(-c2ccccc2)oc2cc(OC[C@H](O)CNC3CC3)ccc12 29559898 BJVQYTSXCQHYPT-MRXNPFEDSA-N 351.402 2.952 0 1 FFAF Cc1cc(S(C)(=O)=O)ccc1Cn1c(C)c(CC(=O)O)c2cccnc21 117593099 QEIQIUMAMIISFB-UHFFFAOYSA-N 372.446 2.732 0 1 FFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2CC(C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC 2356555039 GTQAUWWSOKGAGH-GPINWOSQSA-N 350.411 2.573 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 61905556 ZUBKMJQHQHWRLM-KRWDZBQOSA-N 372.387 2.710 0 3 FFAF CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 38495414 YQOZCQSZCVLKCP-UHFFFAOYSA-N 369.490 2.626 0 1 FFAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)NC1CCCCC1 71329503 SXJNPXFBRFFSJI-GDNBJRDFSA-N 360.435 2.838 0 1 FFAF Cc1ncc(Cc2nc(-c3nc(C(F)(F)F)n[nH]3)n3ccccc23)cn1 73198051 RROGLLXUXNZEBF-UHFFFAOYSA-N 359.315 2.827 0 1 FFAF Fc1ccccc1Cn1cc(CSc2nnc(-c3cnccn3)o2)nn1 1911576440 TTWCYQBSKNSSKX-UHFFFAOYSA-N 369.385 2.598 0 1 FFAF Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1 224754178 OESBSBSPHYIWDY-UHFFFAOYSA-N 370.409 2.863 0 1 FFAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 199225287 FUTUSHJZGMJWKW-SFHVURJKSA-N 363.421 2.748 0 3 FFAF Brc1cnn2cc(-c3ccc(N4CCNCC4)cc3)cnc12 96927000 FDIYMCZJRDDQJK-UHFFFAOYSA-N 358.243 2.568 0 1 FFAF CC1=C(c2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)NNC(=O)C1 587142272 QTCOMQJZPSEZKK-UHFFFAOYSA-N 351.385 2.631 0 1 FFAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436677 UCYIZNFXNMQXLX-JLTOFOAXSA-N 353.374 2.930 0 1 FFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1cccc(Cl)c1 587368812 PHBGHZNRKWCXHG-UHFFFAOYSA-N 354.757 2.646 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3cnc4ccccc4c3[nH]2)cc1 586930069 OCWYKYZWHYCVHM-UHFFFAOYSA-N 352.419 2.544 0 1 FFAF CC(C)Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587560148 CPKXBYGWYMTLBS-UHFFFAOYSA-N 353.378 2.929 0 1 FFAF COc1ccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(F)c1 587148103 AEHPAIQABRZHJK-UHFFFAOYSA-N 363.414 2.552 0 1 FFAF COC(=O)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 587005774 RGFYQGNAEDVCES-UHFFFAOYSA-N 368.578 2.617 0 1 FFAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](C(C)(C)O)O[C@@H]1C2 1772603806 TUOSTKQJYCNPMD-BXTJHSDWSA-N 364.438 2.949 0 1 FFAF CCC(=O)N1CCC[C@@H](n2nc(-c3cccc(F)c3)c3c(N)ncnc32)C1 1772579138 BCVDNVLVZIDDSO-CQSZACIVSA-N 368.416 2.788 0 1 FFAF CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3cccc(F)c3)cc21 839060 IVOPHRNPKBNNSV-UHFFFAOYSA-N 361.398 2.575 0 1 FFAF CC(=CCCC1=CCC[C@@](C)([C@@H](O)CCC(C)=CCO)OC1=O)CO 2356427989 SUTOKLTWMNXOJT-ICSRJNTNSA-N 352.471 2.807 0 1 FFAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4050093 HINPPJLMUWIPCL-QUCCMNQESA-N 368.433 2.940 0 1 FFAF O=C1Nc2cccc(C3CCNCC3)c2/C1=C/c1[nH]cc2c1CCOC2=O 52969405 GHRJDUDIROBWRM-GDNBJRDFSA-N 363.417 2.687 0 1 FFAF CCO[C@@H]1CO[C@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@@H](OC)C[C@]12C 2356504397 PTLYLXSSWBSQTJ-LSEDXPNQSA-N 358.475 2.783 0 1 FFAF COc1cc2nc(N3CCC[C@H]3C(=O)OC(C)(C)C)nc(N)c2cc1OC 82131314 GQIVIVUQSKBKBK-ZDUSSCGKSA-N 374.441 2.540 0 1 FFAF O=C(NCC1CCCCC1)c1c(O)c2ccccc2n(CCCCO)c1=O 653747691 NWYQOUCXQXIWBJ-UHFFFAOYSA-N 372.465 2.790 0 1 FFAF CCCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 653776565 OJSUWVFIOHAVRZ-HNNXBMFYSA-N 360.479 2.827 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O 587438692 HJHDJELMGSYIMT-RNODOKPDSA-N 351.358 2.689 0 1 FFAF COC(=O)c1ccc(-n2c(OC)cc(C)c2OC)c(O[C@H]2CCOC2)c1 587925092 NYDILMWDRFYQOZ-AWEZNQCLSA-N 361.394 2.757 0 1 FFAF C[C@H](O)c1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 587021152 FYUPIAQIAASGSW-VIFPVBQESA-N 368.422 2.799 0 1 FFAF CN1CC(=O)N(CCCCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1=O 587877051 ZFTWIWLDHNJAPS-UHFFFAOYSA-N 372.356 2.499 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(Cc1ccccc1F)C(=O)O 963605726 HEVLDXDEAROVFF-MPBGBICISA-N 359.397 2.900 0 1 FFAF CC(C)(O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 14821066 DDJDLXLOVVZKAD-NBUFYSGYSA-N 354.487 2.568 0 1 FFAF biogenic COCCN1CCN(Nc2ncc3ccn(C4CCCCC4)c3n2)CC1 14954849 VDNDJYFLOAXKKR-UHFFFAOYSA-N 358.490 2.527 0 1 FFAF O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1-3 169319957 LJMVFRSCVLFNEI-UHFFFAOYSA-N 361.762 2.693 0 1 FFAF CN(C)CC(=O)Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 164767474 MYYLBBXQEOXPHT-UHFFFAOYSA-N 361.409 2.515 0 1 FFAF O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 3955904 SOVDEBPQOUCPEZ-IBGZPJMESA-N 357.479 2.763 0 1 FFAF Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1 4034992 SAQRCKBWXNUJGM-UHFFFAOYSA-N 370.430 2.887 0 3 FFAF O=C(c1ccccc1)c1cc(Cl)cc2c1S(=O)(=O)C[C@@H]2C(=O)O 27988646 XREPKAAFDKUVCF-ZDUSSCGKSA-N 350.779 2.527 0 1 FFAF CC[C@@H]1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2C[C@@H]1C3=Nc2ccccc21 2356623120 BMRYZKSXVDMCAO-IXKJICIFSA-N 354.450 2.511 0 1 FFAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1 39094994 KRLQVHOAAAUZHU-UHFFFAOYSA-N 357.158 2.659 0 1 FFAF C/C=C\C1=Cc2ccccc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 73072942 KIFSNTZKPAYVOZ-KQQSKNTNSA-N 359.378 2.689 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@@H]2CN(CC)C(C)=O)cc1 95895503 WZZBQVBPQMPBSP-FQXUTTLCSA-N 370.493 2.653 0 1 FFAF CN1CCc2cc3c(cc2[C@H]2C(=O)c4c(ccc5c4OCO5)[C@H]21)OCO3 238731621 ZNMBKYFBDJDSHG-SJLPKXTDSA-N 351.358 2.653 0 1 FFAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427739 FRVJSJLDWZIBDF-JYYCZZOTSA-N 373.449 2.846 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 586925946 LBHDJGDXLMQNPK-UHFFFAOYSA-N 352.213 2.791 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCN(C)CC2)N1 587764960 HRTHMLLLEBATTM-SJCJKPOMSA-N 370.310 2.585 0 1 FFAF Cn1cccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578949 SOAJBATTZPXBPH-UZLBHIALSA-N 365.341 2.672 0 1 FFAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCOCC1 587596984 STNIKXXPOORXCW-XLIONFOSSA-N 369.417 2.833 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CC1OCCO1)c1ccco1 963604685 DXOGSYVTFLCTTH-ZUOKHONESA-N 359.422 2.838 0 1 FFAF C[C@H](CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1cnn2C 1772579812 MFIATRNSKLUERD-SECBINFHSA-N 366.347 2.918 0 1 FFAF COc1ccc(CC(=O)NCCN2Cc3cc(C)ccc3O[C@@H](C)C2)cc1 11841683 ICQPMIALNSTGFZ-KRWDZBQOSA-N 368.477 2.945 0 1 FFAF CCO[C@@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 13308659 PPRSMUWPTLLGMJ-GDZFADEHSA-N 358.346 2.516 0 1 FFAF endogenous,in-man O=C(NCc1ccccc1OC(F)F)n1sc2ncccc2c1=O 169711337 LSWNWGZXZYOEMO-UHFFFAOYSA-N 351.334 2.817 0 1 FFAF O=C(O)c1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)cc1 1857577918 BJHKBHQSJNJBBD-UHFFFAOYSA-N 374.824 2.766 0 1 FFAF CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857754031 WOBAEAPMUJZXDR-GFCCVEGCSA-N 350.806 2.786 0 1 FFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CC3)cc1 3825059 BZNWTXRYYZHACY-GFCCVEGCSA-N 351.406 2.803 0 1 FFAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccc[nH]4)nc23)C1=O 28825879 SMFBQNUALUKVOG-UHFFFAOYSA-N 373.416 2.869 0 1 FFAF COc1ccccc1Cn1c(C)c(C(=O)NCc2ccco2)sc1=O 61897756 KVIRYKLSPLCWSL-UHFFFAOYSA-N 358.419 2.798 0 3 FFAF Cc1ccc(CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 73224051 ZVWOYFINMRDWKN-ZDUSSCGKSA-N 364.442 2.926 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[C@H]2CCCCN2C1 39438943 VTFNJDHZVZDGIG-QWHCGFSZSA-N 351.878 2.925 0 1 FFAF COc1c(OC)c(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1OC 14437223 YAUDEHLDMKRNPI-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 82204732 RPTOHHRRPFXQAC-UHFFFAOYSA-N 372.444 2.615 0 1 FFAF Cc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)s1 198997220 IMZIQYFZJGRQAG-KRWDZBQOSA-N 365.458 2.945 0 1 FFAF COc1cc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](OC)[C@@H]2O)ccc1O 85861870 IPCUWVNNQQKAPJ-IXDOHACOSA-N 362.378 2.600 0 1 FFAF biogenic COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nccn1C 587862611 FOSILSWJJJEFDX-UHFFFAOYSA-N 350.300 3.000 0 1 FFAF C[C@H](n1cncn1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583164 UCUCBNNOCVBQTQ-JOKNJTHLSA-N 351.362 2.965 0 1 FFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587041114 CYHXNGIBDRWDCM-QMMMGPOBSA-N 359.377 2.943 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CNC(=O)C[C@H]3C2)N1 587797435 SJVCPBSKNITUHH-RSNHQYPWSA-N 367.262 2.864 0 1 FFAF N[C@@H](CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)N=O 957912714 UXOQZIFDTVHTPG-CQSZACIVSA-N 357.819 2.565 0 1 FFAF O=C1COC(CN2CCCC2)=C[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963108123 KTTGRKCMANOZTB-LAUBAEHRSA-N 356.441 2.621 0 1 FFAF COC(=O)[C@H](C)[C@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023971 JFWMXUVBENAFDB-SMASLZHESA-N 364.445 2.793 0 1 FFAF COc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)ncc12 1772632543 NMMKZUODNMQGMD-UHFFFAOYSA-N 363.324 2.890 0 1 FFAF Nc1noc2ccc(-c3cnc4ccc(NC[C@@H]5CCCO5)nn34)cc12 1772644857 CEPQUAZBARGFRL-LBPRGKRZSA-N 350.382 2.711 0 1 FFAF Cc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1 12504497 GTBUZLPQANSGGE-UHFFFAOYSA-N 374.444 2.953 0 1 FFAF in-vivo COc1ccccc1CCN[C@H](CO)c1ccc(O)c2nc(O)ccc12 1857765507 MOZKOBDCBUJCIT-MRXNPFEDSA-N 354.406 2.520 0 1 FFAF Cn1cccc1C(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3955886 OBKBGTZPICBCBT-UHFFFAOYSA-N 352.482 2.939 0 1 FFAF CCN1CCC[C@H]1CNC(=O)Cn1cccc1C(=O)c1ccccc1C 4101848 SPRXMIWRUQJVDZ-KRWDZBQOSA-N 353.466 2.628 0 3 FFAF CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1 114868990 FMLPGGANFIDSPV-UHFFFAOYSA-N 364.449 2.552 0 1 FFAF CN1CCN(C(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)CC1 28949853 PLYLGMHYGITNLT-VAWYXSNFSA-N 350.418 2.693 0 1 FFAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1 117385144 RGTWWHHUVOLGDF-ZDUSSCGKSA-N 353.422 2.560 0 1 FFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(F)cc2F)c1 114079116 FFIADOLVJVDAEG-UHFFFAOYSA-N 371.391 2.734 0 1 FFAF CC1(C)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 26489115 ACDKNPRPWHJLSR-GOSISDBHSA-N 368.389 2.868 0 1 FFAF C[C@H]1CC[C@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 64586082 MVTNSOOORIFBMO-HJPIBITLSA-N 354.244 2.508 0 1 FFAF O=C(O)c1cc(Cl)ccc1O[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 34281452 MDBXESDGLZZYER-QPPBUOOMSA-N 353.802 2.648 0 1 FFAF O=C(COc1nc(N2CCCC2)nc2ccccc12)Nc1nccs1 1911578279 JYUNJNKERYPTRY-UHFFFAOYSA-N 355.423 2.704 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC(=O)[C@H]23)ccc1O 40917946 JOVBAVJQHJYOID-MDVLYUJXSA-N 372.373 2.717 0 1 FFAF biogenic,in-vitro CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@@H]23)n1 25432148 NXWGAMKHRLVUSY-ISARSNTHSA-N 374.529 2.891 0 1 FFAF biogenic CC(C)=CC[C@@H]1C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O 40163585 OEVCPKKGZOPKST-CEQIKUNHSA-N 362.466 2.999 0 1 FFAF biogenic CC(C)(C)C(=O)N1CSC[C@H]1c1nc2nc(Br)c[nH]c-2n1 587041203 DUHFIGKXIPZDBR-ZETCQYMHSA-N 370.276 2.687 0 1 FFAF COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581228 LAPAPRVFBUFMTP-XLIONFOSSA-N 366.373 2.938 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2ncc(Cl)cc2[nH]1)C(F)(F)F 587127520 VBAAJVCGCZCTKQ-UHFFFAOYSA-N 362.720 2.967 0 1 FFAF COC(=O)C[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442331 KDDVNCABEVTXAS-IERDGZPVSA-N 352.386 2.987 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2cncc(Br)c2[nH]1 587228678 POXVSMLKFNOGKZ-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)o1 586930901 JWDYLDPCDPRYMO-UHFFFAOYSA-N 363.292 2.630 0 1 FFAF CN(C)C[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5848757 QTMADRQVOXAJAJ-GFCCVEGCSA-N 373.428 2.562 0 1 FFAF Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(O)cc1 13126012 IMXPQSQYJFIEDK-UHFFFAOYSA-N 360.464 2.658 0 1 FFAF Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 204909472 GZXRFDYECYFNCR-LSDHHAIUSA-N 354.458 2.618 0 1 FFAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCC3 1857577505 PNZZAWRNTIFJFO-UHFFFAOYSA-N 370.474 2.603 0 1 FFAF CC[C@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356498288 PQNOCJMPOHKMIT-VQFKLYKZSA-N 364.526 2.927 0 1 FFAF O=C(C1CCOCC1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356289912 DDVCJGGKHSKRGN-INIZCTEOSA-N 373.371 2.738 0 1 FFAF O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc2c(c1)OCCO2 6805224 VJLXEMHMIFEEBG-UHFFFAOYSA-N 363.373 2.852 0 1 FFAF Cc1ccc(CCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)cc1 101789328 SNTDGLVFZLHFLZ-UHFFFAOYSA-N 360.417 2.909 0 1 FFAF COc1ccc2occ([C@@H](CC(=O)O)[C@@H]3N(C)C(C)=C(C)N3O)c(=O)c2c1 2356817313 DJRQHIBPDZMJRN-BFUOFWGJSA-N 374.393 2.574 0 1 FFAF CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 34343057 PQQXQOJIDLXQOC-HNNXBMFYSA-N 364.486 2.879 0 1 FFAF CCOC(=O)[C@](O)(c1c(C)[nH]c2ccc(C(=O)OC)cc12)C(F)(F)F 71317719 JPWPCOAWTOCZSC-OAHLLOKOSA-N 359.300 2.576 0 1 FFAF COC(=O)C[C@]12CCCN3CC[C@]4(c5ccccc5N(C(C)=O)[C@@H]4CC1)[C@@H]32 14952959 CGBORLREKLCHSI-RYFAJOAYSA-N 368.477 2.871 0 1 FFAF biogenic COc1cc2c3c(c1O)-c1cc4c(cc1C[C@H]3N(C(C)=O)CC2)OCO4 40394232 HYGCTXIYSNTPPD-CQSZACIVSA-N 353.374 2.798 0 1 FFAF COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C(C)=O)CC2)OCO4 40394230 HYGCTXIYSNTPPD-AWEZNQCLSA-N 353.374 2.798 0 1 FFAF CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 40873345 SLWSWKGGZQCLDU-WHHQMRSUSA-N 373.449 2.846 0 1 FFAF COc1c(O)c2c(c(OC)c1OC)O[C@@H](c1ccccc1)[C@@H](OC)C2=O 238753588 SNDDQHPBNHSNNS-HOCLYGCPSA-N 360.362 2.749 0 1 FFAF C[C@@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142988795 DHTRSJIKOUWOPE-JTQLQIEISA-N 356.348 2.778 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)C3CC3)[C@H]2CO)cc1 95871878 IGUCQBFRJUMBIM-WYNYBAAUSA-N 370.493 2.653 0 1 FFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 473150207 LISXDUQJNICNAT-CBGDNZLLSA-N 365.385 2.577 0 1 FFAF COc1cccc(OCc2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)c1 587782646 WFUUJKFSTWZCSZ-UHFFFAOYSA-N 363.377 2.726 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CC(=O)O)c1)[C@@H](C2)C3=O 587442742 LHPHGWUCXXFYRC-YCRPNKLZSA-N 368.385 2.994 0 1 FFAF O=[S@@](CCCc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 586959249 KEZJRSMOWGIWSP-NRFANRHFSA-N 365.256 2.807 0 1 FFAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587201504 PELYRRXLZARJKM-UHFFFAOYSA-N 368.869 2.951 0 1 FFAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(N)ncnc4[nH]3)c2C1 587033912 KJFQITAIOJDSHA-UHFFFAOYSA-N 372.454 2.957 0 1 FFAF CCS(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccccc3OC)nc2c1 587929196 HDESQDGSSHBKGW-UHFFFAOYSA-N 358.419 2.791 0 1 FFAF CCCC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963634090 JAOSLAVSHBAYAE-RNODOKPDSA-N 363.454 2.756 0 1 FFAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962900434 QMVJKASDHIFXJI-HNAYVOBHSA-N 361.369 2.607 0 1 FFAF COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O 12575157 AYFXMNPUEPQGOD-QGZVFWFLSA-N 370.449 2.994 0 3 FFAF Cn1cc(C2=C(c3cn(C)c4ccc(O)cc34)C(=O)NC2=O)c2ccccc21 13447741 CQVGLBTZZGJXTR-UHFFFAOYSA-N 371.396 2.943 0 1 FFAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OCCO)c12 169708392 UWIOKRMLDHOWTA-UHFFFAOYSA-N 363.370 2.952 0 1 FFAF COc1ccc2c(c1)[C@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 201354370 GSCXQRVQPZFLRE-VFNWGFHPSA-N 360.498 2.672 0 1 FFAF CC=C[C@H](O)[C@H](O)[C@]12C=C[C@@H](C)[C@@H]1c1c(c3c(C)cc(O)cc3oc1=O)O2 2356326134 UOSOGOPJUWRLRY-JGTCXUKSSA-N 370.401 2.526 0 1 FFAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)C(F)(F)F 29123392 IRJXEJHJNCVKGL-UWVGGRQHSA-N 354.369 2.562 0 1 FFAF CC(C)=C[C@@H]1c2[nH]c3cc(O)ccc3c2C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N21 2356462006 BLBXRRKAPHRFGY-RCCFBDPRSA-N 365.433 2.639 0 1 FFAF Cc1nc(N)nc2c1cc(-c1cccc(CO)c1)c(=O)n2C1CCCC1 117767555 PBVKKMSOHDWEAO-UHFFFAOYSA-N 350.422 2.957 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)cc1 61906625 QZDWCVGUNFUAFQ-SFHVURJKSA-N 351.406 2.537 0 3 FFAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CCOCC1 2356499613 IBDDDHMPFFOYTQ-SNVBAGLBSA-N 350.802 2.957 0 1 FFAF COc1cccc(Cn2cnc3sc(-c4cc[nH]c(=N)c4)cc3c2=O)c1 1911586587 PBRPSSPCDCQDDX-UHFFFAOYSA-N 364.430 2.989 0 1 FFAF O=C(O)CCNC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O 146673871 CQXMWPJDQXPFRC-UHFFFAOYSA-N 352.346 2.937 0 1 FFAF O=C1CSC(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 98085687 PNYKTCGLJJALBZ-UHFFFAOYSA-N 351.391 2.729 0 1 FFAF O=C(O)COCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 299832455 GQCYRHSDGGCNRH-UHFFFAOYSA-N 359.769 2.923 0 1 FFAF COc1cc(Br)c([C@@H](N)c2nc3cccnc3[nH]2)cc1OC 586975028 JCOURAMALUSZOR-CYBMUJFWSA-N 363.215 2.786 0 1 FFAF COC(=O)[C@@H](C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O 587394622 JDYANHGOOBUDOY-DNVCBOLYSA-N 369.377 2.531 0 1 FFAF CCOC(=O)[C@@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513903 VIQVCOLHZHBXAF-FQEVSTJZSA-N 354.406 2.723 0 1 FFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587093270 ZGNJTAJQNXSNDE-NSHDSACASA-N 370.375 2.525 0 1 FFAF C[C@@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173814 JSEZHLSCRVGNJI-SFHVURJKSA-N 352.325 2.912 0 1 FFAF CCn1nccc1[C@]1(/C=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429872 BKXMUSXOMORPDL-MQAOWZJSSA-N 353.422 2.630 0 1 FFAF CCOC(=O)c1c[nH]nc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962564193 GPGFJGYRYGYQMT-DIFFPNOSSA-N 359.426 2.569 0 1 FFAF O=c1oc2ccccc2c(N2CCN(c3ccccc3F)CC2)c1CO 1772636247 GWJJKGIHZGHWEJ-UHFFFAOYSA-N 354.381 2.751 0 1 FFAF O=S1(=O)c2ccc(F)cc2-c2ccc(N3CCN4CCC3CC4)cc21 169308797 RCCDDPHPJBBTOH-UHFFFAOYSA-N 358.438 2.923 0 1 FFAF COc1ccc(-n2cc(CN3C(=O)COc4ccc(Cl)cc43)nn2)cc1 1857763405 ZOANYCKZGIVORY-UHFFFAOYSA-N 370.796 2.855 0 1 FFAF Cc1cc2c(n1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 26672099 MYRBHWKYPUTGHT-UHFFFAOYSA-N 354.431 2.620 0 1 FFAF CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1F 61903751 SCQDKOHJEFJIQL-UHFFFAOYSA-N 357.385 2.833 0 3 FFAF CCSC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H]([C@H](C)O)[C@H]2S1 26381783 XXLSGOZSZYOOLC-JVLSTEMRSA-N 365.476 2.564 0 1 FFAF CCC(CC)CN1CCC(CN2C(=O)C(=O)NC[C@@H]2[C@@H](C)CC)CC1 61936128 BCWKZZRLCCSXSP-MAUKXSAKSA-N 351.535 2.508 0 3 FFAF CCOc1cnc(N2CCN(c3noc(C(C)(F)F)n3)[C@@H](C)C2)c(C)c1 103252708 LXSWBKBEIDDODR-LBPRGKRZSA-N 367.400 2.999 0 1 FFAF CO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@@H]1O 2356596584 KVGCXSKAIUCSKN-OUHCHERESA-N 350.370 2.624 0 1 FFAF N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1 28891630 GFJJIBKQWYQEJL-GOSISDBHSA-N 369.856 2.565 0 1 FFAF N=C1S/C(=C\c2c[nH]nc2-c2ccccc2)C(=O)N1c1nncs1 40428939 SMPJUVMXUQUVPY-URZRKRNXSA-N 354.420 2.984 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)C[C@H]3O 14559021 IBXMDNCFGSBKCQ-CHWSQXEVSA-N 357.406 2.661 0 1 FFAF biogenic CCOP(=O)(OCC)[C@@H](O)c1cc2cccc(C)c2n2nnnc12 49052935 CQKKNMSNQFPKMD-OAHLLOKOSA-N 350.315 2.843 0 1 FFAF COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)ccc3OC)O2)cc1 45255679 LTMAAEKGUKXHSV-IBGZPJMESA-N 356.378 2.952 0 1 FFAF CC(=O)O[C@@H]1C[C@H]2[C@@H](C=C1C)/C(=C(\C)COC=O)C[C@@H](OC(C)=O)[C@@H]2C 238779593 CGWKVECDFVHISA-IKHFTLQVSA-N 364.438 2.962 0 1 FFAF COc1cc(/C(=C\CO)Oc2ccc(CCCO)cc2OC)ccc1O 238735640 WYJQHJRXHTZJFV-RQZCQDPDSA-N 360.406 2.747 0 1 FFAF CC(C)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149345128 FBWKNGXJSCDCLF-OAHLLOKOSA-N 360.479 2.825 0 1 FFAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nonc4c3)CC2)c1 95567066 RQUKAXQJDHYCJJ-UHFFFAOYSA-N 368.466 2.754 0 1 FFAF COc1cc(CC(=O)c2cccc(OC)c2OC(C)=O)ccc1OC(C)=O 238732601 ZBCLHRGQZAHLDI-UHFFFAOYSA-N 372.373 2.980 0 1 FFAF CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2C[C@@H]1O 40863303 VQRCDZLYMBXGNJ-WMZOPIPTSA-N 356.374 2.879 0 1 FFAF biogenic O=c1cc(N2CCOCC2)nc2c(CSc3ccccc3)cccn12 473130856 LYNMSNVSHNPELF-UHFFFAOYSA-N 353.447 2.823 0 1 FFAF COc1ccccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C 653833415 MUFFKJLBXNCWQW-UHFFFAOYSA-N 369.421 2.925 0 1 FFAF COc1c[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1=O 587775013 YBDFFCTYYMVHIA-BCTVWOGZSA-N 367.218 2.909 0 1 FFAF COC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354600 VGHVAAZIDLADTK-XLIONFOSSA-N 372.348 2.781 0 1 FFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587235852 QQIYJGJDKCLXNN-LSDHHAIUSA-N 365.389 2.991 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 587233077 HBVMPVJAISPKMY-CMPLNLGQSA-N 360.414 2.905 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444209 YLWRQLNUYRSGTD-ZUOKHONESA-N 360.406 2.750 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587090645 UORZESAVQODQBI-SNVBAGLBSA-N 359.732 2.737 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)O2 587394046 PVXRVTZZXXRSGL-ZBFHGGJFSA-N 362.426 2.547 0 1 FFAF COc1cc2c(cc1OC)[C@@](c1ccccn1)(c1ncc[nH]1)N(C)[C@@H](C)C2 962633505 PJAFSBIYWMBLRJ-LHSJRXKWSA-N 364.449 2.990 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CC1OCCO1)c1ccco1 963604675 DXOGSYVTFLCTTH-RNODOKPDSA-N 359.422 2.838 0 1 FFAF COC(=O)c1c(C)oc2c1[C@@]1(CCC2)NCCc2c1c(C(C)C)nn2C 962904095 BHCVVDFWZBJBFL-FQEVSTJZSA-N 357.454 2.957 0 1 FFAF O=S1(=O)CC[C@H](NCCOc2cc(F)ccc2F)c2cc(F)ccc21 1857537621 PEOXOSFSQZNJBP-HNNXBMFYSA-N 371.380 2.991 0 1 FFAF C[C@H](NC(=O)c1cnccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356385302 WHPHOAOWICZWTC-VIFPVBQESA-N 372.768 2.974 0 1 FFAF C/C=C1/CN2[C@H]3Cc4c(n(C)c5ccccc45)[C@H]2C[C@@H]1[C@@]3(CO)C(=O)OC 104000593 IWEYXWIPVZEVPT-VLNNKARVSA-N 366.461 2.578 0 1 FFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCC(F)(F)F)cc1OC 2356303377 SJLYPCAOYVQZRW-MRVPVSSYSA-N 374.315 2.704 0 1 FFAF O=C([C@H]1C[C@H]1c1ccc(-c2cn[nH]c2)cc1)N1CCN(C2CCC2)CC1 113838427 GCWXDIAMYKKYOJ-PMACEKPBSA-N 350.466 2.877 0 1 FFAF O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1Cl 28524858 YHQRDDYLRTWPNZ-UHFFFAOYSA-N 367.792 2.821 0 1 FFAF CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H]1Cc1ccccc1 2356800757 REPYZBXULPHQIV-WOJBJXKFSA-N 361.445 2.621 0 1 FFAF COC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCCCCOC(C)=O 2356834394 KMUUCYXSRUHGAT-UHFFFAOYSA-N 366.410 2.900 0 1 FFAF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccccc2Cl)=N1 71294707 RWVODQHYEZDKRA-INIZCTEOSA-N 357.845 2.671 0 1 FFAF NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccccc2Cl)=N1 71294708 RWVODQHYEZDKRA-MRXNPFEDSA-N 357.845 2.671 0 1 FFAF CC/C=C\C[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCC(=O)O 85588945 VLLDKSJDBRLUOY-XIFXWWOOSA-N 350.455 2.905 0 1 FFAF endogenous,in-man CN(CCN1CCCCC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 40950023 RWKPIEGRBPYNIV-UHFFFAOYSA-N 364.921 3.000 0 1 FFAF O=C(c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1)N1CCOCC1 82139340 XDCDZMIOOOSRIH-UHFFFAOYSA-N 370.428 2.745 0 1 FFAF Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1C 195403800 LPCKYGOUPHLYKM-RDOJUESESA-N 365.429 2.652 0 1 FFAF CC1=C(CC[C@@]23COC(=O)C2=CCC[C@H]3O)C(=O)O[C@H](c2ccoc2)C1 198449852 CWWUMNIILGRGJX-SQGPQFPESA-N 358.390 2.989 0 1 FFAF Nc1nc2cc(-c3cn(C4CCOCC4)c4ncnc(N)c34)ccc2o1 142642342 IYXWKNZOERXTKV-UHFFFAOYSA-N 350.382 2.755 0 1 FFAF C[C@]12CCC[C@@]34[C@@H]1C(=O)C[C@@]15C[C@@](C)(O)[C@@H](C[C@@H]1[C@H]3N1CCO[C@H]12)C[C@H]54 255192338 ADWWSTLDHHDKTM-YCNAQLJQSA-N 357.494 2.590 0 1 FFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 586921387 HLHZEGBGWWTNOV-KRWDZBQOSA-N 358.423 2.671 0 1 FFAF CCCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587559940 QCXJQEPUWHRGMD-UHFFFAOYSA-N 355.350 2.519 0 1 FFAF Brc1c[nH]c2nc(C[C@@H]3OCCc4ccsc43)nc-2n1 587037886 ZZVHWCUCJVXFAZ-QMMMGPOBSA-N 351.229 2.985 0 1 FFAF O=S(=O)(c1ncccc1-c1nc2cc3[nH]ncc3cc2[nH]1)C(F)(F)F 587126624 DIHMJHLKNBDNGM-UHFFFAOYSA-N 367.312 2.795 0 1 FFAF COC[C@@]1(CC(=O)OC(C)(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630107 BOAIERKWVMJERY-RNODOKPDSA-N 365.470 2.812 0 1 FFAF O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccsc2n1 146104156 JKRWYBDUHGUPFL-UHFFFAOYSA-N 352.419 2.579 0 1 FFAF COc1ccc(-c2nnc(-c3ccc4c(c3)C[C@@](N)(CO)CC4)o2)cc1C 1772593516 OQGAPYKRNGOUFA-OAQYLSRUSA-N 365.433 2.899 0 1 FFAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnccn1 12027840 LNYGXLTWWGCWCJ-CQSZACIVSA-N 355.348 2.748 0 3 FFAF COc1cc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc(OC)c1O 14437206 RVWHDZPNRAOQDC-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF endogenous,in-man O=S(=O)(Nc1ncns1)c1ccc2c([C@@H]3CCCN3)cccc2c1 206154554 PCUWMZYNNCGGNP-HNNXBMFYSA-N 360.464 2.917 0 1 FFAF COc1cc(CCn2cnc3sc(C(=O)O)c(C)c3c2=O)cc(OC)c1 1857547723 UUTIHDITLSBXFG-UHFFFAOYSA-N 374.418 2.725 0 1 FFAF CN(C)CCc1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1 1857568951 AWKRDSBGEYQWMH-UHFFFAOYSA-N 356.451 2.874 0 1 FFAF O=C1CC[C@H](N2Cc3c(SCc4ccccc4)cccc3C2=O)C(=O)N1 1857611413 AKCGNJSNWZEWFO-INIZCTEOSA-N 366.442 2.740 0 1 FFAF Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 1645748 AXDQWOUUBIAQQJ-KSSFIOAISA-N 362.861 2.872 0 1 FFAF Cc1ccc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 27325111 PDOUWTYEQULSSM-INIZCTEOSA-N 371.462 2.799 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 100093122 RIOIQWVFCXHESW-WOHPXGQKSA-N 372.465 2.987 0 1 FFAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccncc4)oc23)CC1 25989990 LTOTZXAMFDGKIL-UHFFFAOYSA-N 350.374 2.985 0 1 FFAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)N3CCN(C)CC3)cc2)C1 59260601 WGDBSIUKEGGNAD-YLJYHZDGSA-N 371.529 2.529 0 1 FFAF C[C@H](c1ncncc1Cl)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 26160423 HREKAMFFOJKWEL-QLJPJBMISA-N 365.771 2.691 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)on2)C1 61907489 MYGZLRBAKBYRGF-FQEVSTJZSA-N 357.454 2.706 0 3 FFAF O=C(NCCN1CCN([C@H]2CCc3ccccc32)CC1)c1ccc(F)cc1 28017447 PDTGMZDKCPJWGA-NRFANRHFSA-N 367.468 2.861 0 1 FFAF CC=C(C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C 2356489365 UXXJAHJNHYCPJW-QOJCHSLYSA-N 350.455 2.559 0 1 FFAF COc1cc(OC)cc(Oc2cc(NCCCN3CCCC3=O)ncn2)c1 82067533 IKWBIDMJEXQUDV-UHFFFAOYSA-N 372.425 2.711 0 1 FFAF C[C@H]1C[C@H](C)CC[C@H]1Oc1nc(N)c2c(=O)ccn([C@H]3CCC[C@@H]3O)c2n1 195520051 IPXVKACPVICYDY-XSEXMBABSA-N 372.469 2.663 0 1 FFAF c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(N2CCCC2)n1 96176005 FZFNUBOIZMXBDB-UHFFFAOYSA-N 364.449 2.986 0 1 FFAF O=C(O)c1cc(-c2ccc(CO)cc2)nc2c1cnn2Cc1ccncc1 95584537 UHGSMCVCGLSUOE-UHFFFAOYSA-N 360.373 2.732 0 1 FFAF Nc1nc(C(=O)NCc2cccc3c2NCCC3)c2cccc(F)c2n1 653793970 QNAZZEIEVRORQM-UHFFFAOYSA-N 351.385 2.639 0 1 FFAF CN[C@@H](c1cccnc1)c1nc2ccc(I)cc2[nH]1 587224344 RSXQYNJZQJEEGM-ZDUSSCGKSA-N 364.190 2.871 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1OC 586968520 PJCLSULPUMXTFL-UHFFFAOYSA-N 373.390 2.597 0 1 FFAF Cc1c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cnn1C 587650279 RAZXXVCFYNAFIY-UHFFFAOYSA-N 367.377 2.728 0 1 FFAF CCC[C@]1(c2cc3ccc(O)cc3oc2=O)c2c(cnn2C)CCN1C 963956331 WJMJXGIFWPWEDG-FQEVSTJZSA-N 353.422 2.764 0 1 FFAF C[C@H](N)C[C@@]1(c2ccc(F)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034253 QZAHVOKWWMYTOC-QTCYRWPVSA-N 353.441 2.860 0 1 FFAF COc1ccc(OC)c(Cc2nnc(CCC(=O)NC3CCCC3)o2)c1 11878236 IDKGYJZAACOQOM-UHFFFAOYSA-N 359.426 2.669 0 3 FFAF O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccncc2)[C@H]1C(=O)c1ccco1 169687215 MSEMSKUBTMQJDJ-ZWKOTPCHSA-N 360.369 2.826 0 1 FFAF CN1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857763246 AJRQPBATKOPIKJ-CQSZACIVSA-N 359.376 2.801 0 1 FFAF COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC 924368 IQTBXXNFTRWPIV-UHFFFAOYSA-N 373.800 2.894 0 3 FFAF CC(C)CCC[C@@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 2356360435 GCJJPODJRMDCOL-YLJYHZDGSA-N 362.422 2.872 0 1 FFAF Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100275697 YKLKQIKUUSJQGC-AUTURXRWSA-N 365.429 2.652 0 1 FFAF O=C(CN1C(=O)CCn2nc(-c3ccccc3)cc21)NCc1ccccc1 8598810 KWUOIKQOUYPZAG-UHFFFAOYSA-N 360.417 2.603 0 1 FFAF O=C1[C@H]2C[C@@H](CN2Cc2ncc[nH]2)Oc2ccccc2N1Cc1ccccc1 2356430586 WBIXRABUIKCLSP-PKOBYXMFSA-N 374.444 2.978 0 1 FFAF C[C@]1(O)CCN(Cc2ccncc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288475 DZYCLQIUDITBAR-URVUXULASA-N 365.477 2.674 0 1 FFAF O=C1C[C@@H]2c3c(cccc3CN1Cc1ccc(Cl)cc1)C[C@@H](O)[C@H]2O 36383075 WPZNESWODIWYPP-HLIPFELVSA-N 357.837 2.634 0 3 FFAF CC1=C(C(=O)N[n+]2cnc3cccc(F)c3c2N)Sc2ccccc2N1 49942664 YXSPIDGAPKPZNH-UHFFFAOYSA-O 368.417 2.763 0 1 FFAF C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207275 YIIFBNWSRWJHCN-CYBMUJFWSA-N 374.460 2.860 0 1 FFAF Cc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3cc(F)c(Cl)cc32)c1 40403255 KVUKDRZQOJQUKH-UHFFFAOYSA-N 354.790 2.976 0 1 FFAF Cc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1 95578522 GQXMSKTWHMYBCZ-UHFFFAOYSA-N 366.377 2.935 0 1 FFAF COc1ncnc(N)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743381 DOVLJZYIHDERFP-UHLUBPPHSA-N 367.222 2.593 0 1 FFAF COCCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868470 MAFFIYVYFHOSJM-UHFFFAOYSA-N 358.320 2.567 0 1 FFAF N=C(N)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966618 GHQGQNNKLMPAKY-UHFFFAOYSA-N 351.395 2.584 0 1 FFAF CC1(C)NC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343269 AYEBMHFPGWAJGP-XLIONFOSSA-N 355.365 2.928 0 1 FFAF N=c1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c[nH]1 587254589 OOEZFMVDFJEZCM-UHFFFAOYSA-N 356.389 2.984 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 586934732 ALWKMBXRLQGHMD-LBPRGKRZSA-N 365.846 2.634 0 1 FFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(O)nc(S)nc4[nH]1)(C3)C2 587951047 QSEHTKVLCFXJBH-KBDCMEBJSA-N 360.439 2.501 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC(C(=O)O)=C2)N1 587832348 JOPUWAPUYXZSBE-GLEZIHRCSA-N 354.175 2.830 0 1 FFAF O=C(N[C@H](Cc1nc2cccc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587203032 MSJGLRQXCUJGAF-CQSZACIVSA-N 357.341 2.624 0 1 FFAF Nc1cc(-c2nc3cc(I)cnc3[nH]2)ccc1F 587139249 DSXMLICTFAZZFD-UHFFFAOYSA-N 354.126 2.951 0 1 FFAF O=C(O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577735 ORNSPLVQUAORFM-FXAWDEMLSA-N 365.341 2.981 0 1 FFAF Cc1ccc2nc(-c3nccn3C)cc(C(=O)N[C@H](C)CN(C)C)c2c1 5504081 UFEFOKVSSLYKCY-CQSZACIVSA-N 351.454 2.624 0 1 FFAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)N1CCOCC1 772256 WZWQGNXLMJHEPV-RDJZCZTQSA-N 360.797 2.884 0 1 FFAF CCc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12 3665112 BIVZDDUBTXUNLG-UHFFFAOYSA-N 359.407 2.588 0 1 FFAF CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@](C(=O)OC)(C2)[C@H]13 101370584 TUZCJNZERFWZAS-NBEPNCHPSA-N 354.450 2.961 0 1 FFAF C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@H]1CCC2=O 2356314508 QIJNCQNMZUTUIF-JCTQEILZSA-N 366.435 2.999 0 1 FFAF CC[C@@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN(C)C1=O 27983703 JTVBYLQKZNXSHK-IBGZPJMESA-N 355.482 2.812 0 1 FFAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(C(=O)C3CC3)C2)on1 61898023 ZZUIWIOJYBSUFQ-MRXNPFEDSA-N 353.422 2.721 0 3 FFAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@](C)(c2ccccc2)O1 29316768 SQPIZICZOGTLGX-UWJYYQICSA-N 373.449 2.961 0 1 FFAF CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccccc2)CC1 66157195 JIEBAVWMYNGZRX-UHFFFAOYSA-N 362.433 2.991 0 1 FFAF O=C(Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1)c1ccccc1 21093397 LBLCQXMZTHWWJH-UHFFFAOYSA-N 361.361 2.661 0 1 FFAF COc1c(OC)c([S@](C)=S)c2c(c1N(C)C)CCS[C@H]2OC 2356813054 CCTXITJLTQGQNC-QRQCRPRQSA-N 361.554 2.773 0 1 FFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)c1ccccc1 26973888 XIZHNLIZWUXBNK-IBGZPJMESA-N 361.401 2.583 0 1 FFAF CCCn1nnnc1CSc1nnc2c3ccccc3n(CC)c2n1 7096705 GSCKFMUSTUCJIE-UHFFFAOYSA-N 354.443 2.688 0 1 FFAF biogenic CCOC(=O)N1CCC(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2C)CC1 73158521 PASHDHHFSXQQOD-ROUUACIJSA-N 371.481 2.515 0 1 FFAF C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(OC)ccc14 238779349 AWDINAQEZMNGBT-WUIKTMGQSA-N 352.434 2.840 0 1 FFAF CCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 263590305 JVMVTCORFZDLSX-OALUTQOASA-N 370.474 2.981 0 3 FFAF CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587385552 CYSFQVQUKDIIAV-HXUWFJFHSA-N 368.389 2.871 0 1 FFAF Cc1cncc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586929088 RGEFTAGRJDHFOO-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OC)SC[C@@H]1C 587493742 GMCLCNHNGOFCQJ-FEMPBKKVSA-N 350.436 2.973 0 1 FFAF O=c1cc(Cl)[nH]nc1NS(=O)(=O)c1cc(Cl)sc1Cl 222877799 MYYZURUVQLJGLJ-UHFFFAOYSA-N 360.631 2.592 0 1 FFAF COC(=O)c1ccc2c(c1)C[C@@H](OC(C)=O)[C@@](C)(CC=CC(C)(C)O)O2 2356330559 SWSDHHIUKXEGAW-YLJYHZDGSA-N 362.422 2.816 0 1 FFAF CCCSc1nc(C)ncc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550184 UKKFANHUOPPJCJ-QABYGRRUSA-N 361.511 2.957 0 1 FFAF COc1ccc([C@H]2OC(=O)C(O)=C2I)cc1OC 103285202 BYZVKXIQVXRFPS-LLVKDONJSA-N 362.119 2.506 0 1 FFAF O=C(c1cc2c(Cl)ccc3c2n1CCO3)N1CCC2(CC1)OCCO2 20560045 YMAIPUVWHUZUMD-UHFFFAOYSA-N 362.813 2.666 0 1 FFAF O=C(c1cccs1)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 64447781 LXVYVEUUCVVNQQ-UHFFFAOYSA-N 364.308 2.827 0 1 FFAF C[C@@H]1CC(=O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@H](c1ccoc1)OC2=O 2356418084 WZRICMNGPGNPSX-USPQZRCLSA-N 358.390 2.822 0 1 FFAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 36378293 AQODJJSXRAHXIU-DOPJRALCSA-N 350.422 2.629 0 3 FFAF COc1ccc([C@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc1 73196843 JMXMMVWAHHSVJL-OAHLLOKOSA-N 367.357 2.801 0 1 FFAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(S(C)(=O)=O)nc2n1 73313921 KRHJAILYCSVFKU-UHFFFAOYSA-N 371.344 2.599 0 1 FFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 82196248 JRZWFWVWOCGXSI-UHFFFAOYSA-N 368.437 2.843 0 1 FFAF CN(c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)ncn1)C1CCCCC1 142782169 NHAFYLPIBJVSIA-UHFFFAOYSA-N 365.437 2.992 0 1 FFAF COc1cc(N)c(C2=NN(C(=O)c3ccccc3)CC2)c(OC)c1OC 96907959 LJBWORYHTOQHKW-UHFFFAOYSA-N 355.394 2.545 0 1 FFAF COc1ccc(C[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)cc1OC 257413700 FDXPFHFRXMBVEU-WHSLLNHNSA-N 372.417 2.799 0 1 FFAF endogenous,in-man COC(=O)c1cc2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2cc1OC 587786938 YUIMLFKFLAIXDV-UHFFFAOYSA-N 358.350 2.748 0 1 FFAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 586918070 WAIMVXFVMSRVDF-QGHHPUGFSA-N 356.407 2.564 0 1 FFAF Cc1csc([C@](O)(Cc2nc3nc(Cl)c[nH]c-3n2)C(F)(F)F)n1 587094752 UXWMZPIAIBQHKD-LLVKDONJSA-N 363.752 2.715 0 1 FFAF COC(=O)[C@](C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352920 PPBHJDHJZWTKHR-UXPWSPDFSA-N 374.364 2.573 0 1 FFAF O=S(=O)(Cc1ccccc1-c1nc2cnnc(O)c2[nH]1)c1ccccc1 586922547 VZWIRWZXNIDQDS-UHFFFAOYSA-N 366.402 2.699 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1c(Br)cnn1C)[C@@H](C2)C3=O 587412915 KHJGHPHPOHUYSX-QFYYESIMSA-N 363.211 2.854 0 1 FFAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587233760 AGTXOYPAKANXQJ-BDAKNGLRSA-N 352.232 2.962 0 1 FFAF C[C@@]1(c2csnn2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698857 CZFPGWHTXGEBDH-GXFFZTMASA-N 361.320 2.558 0 1 FFAF NC(=O)N1CCCc2cc(-c3cncc(OCC4CCOCC4)c3)cnc21 1772595696 NENFUZHYADLYIW-UHFFFAOYSA-N 368.437 2.780 0 1 FFAF Fc1cnccc1CN1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772643988 KGWPGCAZTGUGCJ-UHFFFAOYSA-N 351.389 2.519 0 1 FFAF CCNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5843445 RRGOWYKIBMTSOP-LBPRGKRZSA-N 373.428 2.610 0 1 FFAF O=S1(=O)CC[C@@H](SCc2nc3sccn3c2Br)C1 5991265 YPTQAUIKTRZNOW-SSDOTTSWSA-N 367.315 2.579 0 3 FFAF COc1cc2c(c(O)c1OC)CC[n+]1cc3c(OC)c(O)ccc3cc1-2 13360939 XREHKJMMHNBWDC-UHFFFAOYSA-O 354.382 2.787 0 1 FFAF CN(C)C(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 13497256 NCMXJSUKDAAOHL-QKLQHJQFSA-N 367.474 2.935 0 1 FFAF Fc1cccc([C@]2(CN3CCN(Cc4ccncc4)CC3)CCOC2)c1 19789733 DSCABZWAXJUBNP-NRFANRHFSA-N 355.457 2.697 0 1 FFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1 1857584000 IAYAMHQBLOBQMF-UHFFFAOYSA-N 366.490 2.805 0 1 FFAF COc1ccc(CNC(=O)c2sc3c(c(C)cc4nncn43)c2N)cc1 1857584593 OZNCHDLYTIQUCE-UHFFFAOYSA-N 367.434 2.773 0 1 FFAF Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OCCCCO2 103258331 CTVYHQCWCNHILX-IBGZPJMESA-N 369.417 2.972 0 1 FFAF CS(=O)(=O)CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 101494382 QKJMYKPJFNYNAT-UHFFFAOYSA-N 354.375 2.516 0 1 FFAF O=C(O[C@@H]1CC(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C1)c1ccccc1 66078301 FEUJGSXHEUINDU-RFBJODPTSA-N 368.477 2.707 0 1 FFAF CC[C@@H]1C2=C(C[C@@H]3[C@H](O)C[C@H](C)C(=O)N3CCCC2)[C@@H]2[C@@H](C)C(=O)O[C@@H]21 2356812249 BIVOPELHCOXFQY-NDBASXRHSA-N 361.482 2.672 0 1 FFAF O=C1CN=C(c2ccccc2F)c2cc(F)ccc2N1C1CCNCC1 27748859 ZZONFNCTXDANNB-UHFFFAOYSA-N 355.388 2.901 0 1 FFAF COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1O 6006739 TUXIKUQNFFNQOA-JKSUJKDBSA-N 372.417 2.992 0 1 FFAF biogenic COCCNC(=O)C[C@@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 74373249 VIWPVDVIEOENLB-NRFANRHFSA-N 367.449 2.846 0 3 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@H]1O 15215985 HUHGGORLMLOUCC-QGZVFWFLSA-N 354.358 2.946 0 1 FFAF biogenic C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)nc(NC(C)(C)C)[nH]c34)[nH]c21 222345564 IOOVJBGMLHBOOX-SECBINFHSA-N 351.410 2.933 0 1 FFAF COc1ccn(-c2nc(C)c(C(=O)NCc3ccccc3)s2)c(=O)c1 43177301 QNEITNWZOMGSRC-UHFFFAOYSA-N 355.419 2.541 0 1 FFAF COCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82215033 FFEJWQQLKVLLPO-UHFFFAOYSA-N 358.417 2.967 0 1 FFAF COc1cc([C@H]2O[C@H](O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O 299838818 REZVXIYYURPOSL-PSJANZKSSA-N 374.389 2.509 0 1 FFAF COC[C@@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757874 HXODUPNWKHHENH-QLJPJBMISA-N 368.250 2.746 0 1 FFAF CCOc1ccc(C(=O)[C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963525361 MCBPDIVCIYOKLO-FUHWJXTLSA-N 355.390 2.622 0 1 FFAF COc1cc(OC)c([C@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772589892 MUKXFOHIRNSOFT-LMZVZNFKSA-N 364.438 2.621 0 1 FFAF CCOC(=O)C1=C(C)N(CCC(=O)O)C(=O)N[C@H]1c1ccccc1Cl 13125827 QWNXXUWMKIHCOI-HNNXBMFYSA-N 366.801 2.718 0 3 FFAF COc1ccc2c(c1)O[C@]1(C)C[C@@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 169293553 OABCLKMPOUYXKO-UQASEVPWSA-N 367.401 2.915 0 1 FFAF COc1cc2c(c(OC)c1)[C@@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CO)OC2 169355833 IVJQHPFJFSRCHY-KQJBWGCKSA-N 356.418 2.753 0 1 FFAF COc1ccc([C@]2(C)NC(=O)N(CCC(=O)c3ccc(F)cc3)C2=O)cc1 1857546519 JICWTFAMAOPPLI-FQEVSTJZSA-N 370.380 2.874 0 1 FFAF Cc1nc(-c2ccncc2)n2c1CN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 20867584 OUHVYZUQTLOHFU-IBGZPJMESA-N 360.417 2.599 0 1 FFAF O=S1(=O)COC[C@@H](COCc2ccc(F)cc2)N1Cc1ccccc1 58582311 OPJCMEZKCFHERL-GOSISDBHSA-N 365.426 2.531 0 1 FFAF COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1N 27110211 ZALDJOGOCXZDSV-UHFFFAOYSA-N 368.283 2.774 0 1 FFAF COc1cc(OCc2ccncc2)c(C(=O)Nc2ncccn2)cc1OC 40620082 OMTCUIJEAMSJNV-UHFFFAOYSA-N 366.377 2.720 0 1 FFAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 82195981 RPLZWPWSWJPDQX-UHFFFAOYSA-N 374.400 2.720 0 1 FFAF O=C(O)C(Oc1nn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)O 49071786 RPDGNAOMCXQNQU-UHFFFAOYSA-N 360.753 2.655 0 1 FFAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCC(C)C)ncnc21 82177810 HPDSIVAEHRBCRA-UHFFFAOYSA-N 371.441 2.922 0 1 FFAF O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95866725 VZZQLBIEWDIUMC-UHOFOFEASA-N 365.271 2.925 0 1 FFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1OC 95894188 GOJDWWBWMYPEBC-NNMXDRDESA-N 366.461 2.781 0 1 FFAF CC(=O)c1ccc(OCc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 299825943 DCRDRLOPQKQVIS-UHFFFAOYSA-N 358.423 2.625 0 1 FFAF CC1=C(c2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)NNC(=O)C1 587244579 PTOLTGSFVBHSQB-MDZDMXLPSA-N 373.416 2.970 0 1 FFAF N[C@H](Cc1cccc(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 586983575 DTVPWCFSZPEIGG-SECBINFHSA-N 352.623 2.963 0 1 FFAF O=C(NCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)OCc1ccccc1 587227879 BSYXMAMWWSFKCO-UHFFFAOYSA-N 351.366 2.614 0 1 FFAF CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169366 BZSQCPWRHTVNNX-UHFFFAOYSA-N 354.794 2.571 0 1 FFAF O=S(=O)(O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587128849 DQYYAMDQWFTAFK-UHFFFAOYSA-N 355.322 2.516 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c[nH]nc1C 587869269 FEDSOTASVHVUFF-UHFFFAOYSA-N 351.288 2.693 0 1 FFAF O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C(=O)O 587970622 LPUGQSIBFUBNNF-PSVAKVPMSA-N 364.663 2.614 0 1 FFAF CN(CCc1ccc(Cl)cc1Cl)C1CCN(c2nc(N)n[nH]2)CC1 1772634468 CYCAZTRKOUNUPH-UHFFFAOYSA-N 369.300 2.837 0 1 FFAF Cc1ccc(S(=O)(=O)NCc2nc3c4c(cccc4n2)C(=O)N=N3)cc1 169710189 JSOPIFUMHZYPFF-UHFFFAOYSA-N 367.390 2.654 0 1 FFAF Cc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nc12 205788602 ZYRDAURLYZBVHM-VOTSOKGWSA-N 357.849 2.899 0 1 FFAF O=C(c1cccnc1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857591155 UHTCFJKEPZIKTE-LJQANCHMSA-N 362.433 2.893 0 1 FFAF CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)ncnc2s1 3991302 PPIIFXPOOUJXBM-UHFFFAOYSA-N 358.389 2.855 0 1 FFAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4051926 GRKZBLUGOWQHPA-HKUYNNGSSA-N 352.434 2.913 0 1 FFAF COC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1C 103224345 MVSUHYHBUYKWJE-MDWZMJQESA-N 358.444 2.855 0 1 FFAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1C[C@@H](C)O 103264009 MUXBNOKWIARUJW-LLVKDONJSA-N 356.426 2.677 0 1 FFAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1 26950511 QWXZXAJVNZLOLY-QGZVFWFLSA-N 374.481 2.944 0 1 FFAF CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27109970 YKBGJPOKPNIOMU-QGZVFWFLSA-N 356.397 2.539 0 1 FFAF Cc1c(N2C[C@H](C)O[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 27518174 CJUOVSIYAKUZJX-PHIMTYICSA-N 371.437 2.539 0 1 FFAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCC(=O)N(C)C)cccn12 61930429 FFGGWYCSBCTOQO-UHFFFAOYSA-N 360.458 2.509 0 3 FFAF COc1cncc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)c1 23478906 WBWQZYXDLGQLSY-UHFFFAOYSA-N 374.404 2.778 0 1 FFAF O=C1C[C@H](O)C2(Oc3cccc4cccc(c34)O2)c2c(O)ccc(O)c21 14636392 IDLZGEAPEUPIGD-INIZCTEOSA-N 350.326 2.823 0 1 FFAF biogenic O[C@H](COc1ccc(C2CCNCC2)cc1)CN1CCc2ccccc2C1 219722750 AGPIEDORPMCVOO-QFIPXVFZSA-N 366.505 2.952 0 1 FFAF O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Cl)ccc23)n1 216342538 QCFWGHNLXRWDPA-UHFFFAOYSA-N 372.812 2.508 0 1 FFAF Nc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)cn1 73129474 VCQDBNAIHKPRHL-UHFFFAOYSA-N 371.448 2.679 0 1 FFAF COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)cc1 82206256 XILNPLFTGISWRR-INIZCTEOSA-N 372.469 2.662 0 1 FFAF CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4c(CO)cccc34)nc12 95605340 KQBJFWRJYGUZTQ-UHFFFAOYSA-N 364.409 2.522 0 1 FFAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 238731834 JHBBZIAPXDEPET-OVRPQICKSA-N 350.499 2.537 0 1 FFAF C[C@@H](O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 255276531 WKFXHNDWEHDGQD-ZUKGDEMWSA-N 350.499 2.681 0 1 FFAF CCC[C@@H]1OCCn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 473085483 WUMZHNXUZKMWBX-AWEZNQCLSA-N 353.422 2.577 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(N)cnn1C 587862929 LRYVIMJYJNCIJN-UHFFFAOYSA-N 365.315 2.582 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587773165 JRJPQLLAWBTXCM-JCKZUZKGSA-N 369.278 2.811 0 1 FFAF N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccccc1Cl 587057531 AWGNJQIOMHETDB-GFCCVEGCSA-N 351.815 2.706 0 1 FFAF CCn1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 587869117 BXLVCRVUBHGQSE-UHFFFAOYSA-N 365.315 2.877 0 1 FFAF CCOC(=O)Cc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962903210 WEBDZLFOMXRCKV-UWJYYQICSA-N 371.408 2.794 0 1 FFAF Cn1c(Cc2ccc3[nH]cc(CCN)c3c2)cn(Cc2ccccc2)c1=O 13603564 KAPQGGGGYSJMEG-UHFFFAOYSA-N 360.461 2.808 0 1 FFAF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1c[nH]c2ccc(Cl)cc12 1857541370 JTDQDYHYTWJLPP-INIZCTEOSA-N 358.781 2.953 0 1 FFAF Cn1nccc1-c1coc(C(=O)N[C@H]2CNCC[C@H]2c2ccccc2)c1 1857549573 KRSXEEUTIGGBEL-IRXDYDNUSA-N 350.422 2.556 0 1 FFAF CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCCC3 1857582019 WQSOAFWMNFIEDY-UHFFFAOYSA-N 353.447 2.750 0 1 FFAF CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(c3ccc(=N)[nH]c3)C2)cc1 1857611177 NYJIIHGYENKZTB-ZDUSSCGKSA-N 367.453 2.713 0 1 FFAF CN=c1[nH]cc(C(=O)O[C@H](C)c2ccccc2)c2nc(-c3ccco3)nn12 1857653069 LGCXJBCALNIFGI-GFCCVEGCSA-N 363.377 2.766 0 1 FFAF O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)NCc1ccccc1 1379379 WXUVLPODWZRNCV-GOSISDBHSA-N 355.413 2.816 0 3 FFAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356313572 JWYNTFLKMVHTIA-OTWHNJEPSA-N 362.514 2.616 0 1 FFAF Cc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1F 3894763 DKOVDPUVECRUPK-UHFFFAOYSA-N 356.444 2.893 0 1 FFAF Cn1cc(-c2cnn3c(N)c(-c4ccccc4)c([C@@H]4CCCNC4)nc23)cn1 60327276 BPTHRKUALRLORQ-OAHLLOKOSA-N 373.464 2.846 0 1 FFAF CCOC(=O)Nc1cc2c(nc(SCc3ccccc3)n2N)c(N)n1 27722662 YQGUBMXDZFLVRN-UHFFFAOYSA-N 358.427 2.588 0 1 FFAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)O[C@@H]2CCC1=CC(=O)OC1 26578472 FBFPQIUVRUBIRS-VZJWBNGJSA-N 364.438 2.941 0 1 FFAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 2356664769 HVBPDPAZGSLRKM-IXTVSWOUSA-N 364.482 2.963 0 1 FFAF CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(CC)n2)C1 82069667 WWIWJGQZAQFPNU-AWEZNQCLSA-N 368.499 2.918 0 1 FFAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(O)cc2[nH]1 587181854 GBSBQDCUDKSLFI-QMMMGPOBSA-N 368.178 2.987 0 1 FFAF CCNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388211 XYGOOBWKQZUJRL-SFHVURJKSA-N 354.406 2.799 0 1 FFAF C/C(=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NCCO 587755042 LOAILVBYTDVGNR-JIZHSALNSA-N 357.267 2.823 0 1 FFAF NS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950368 KMRAPDUTCZZXAP-UHFFFAOYSA-N 361.467 2.696 0 1 FFAF CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386871 MLJUFZRPQJJVOU-NHCUHLMSSA-N 368.433 2.591 0 1 FFAF O=C(CN1CCC(N2CCCC2)CC1)[C@@](O)(c1ccccc1)C1CCC1 13825901 SUSXBXYYXVDLLT-JOCHJYFZSA-N 356.510 2.804 0 1 FFAF NCc1cc(Oc2cccc3c2ccn3CC(=O)N2CCCCC2)ncn1 1857554617 VDXDZASWIGVHLI-UHFFFAOYSA-N 365.437 2.695 0 1 FFAF CNC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100970958 WPRRIYPYCXHVPK-GASCZTMLSA-N 366.373 2.680 0 1 FFAF C[C@@H](O)[C@H](NCCC(=O)N1c2ccccc2C=Cc2ccccc21)C(=O)O 103211976 LPPFCFHEHGXDGV-VLIAUNLRSA-N 366.417 2.649 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@H](C2)N(CC2CC2)CC[C@@]314 29230299 ZGINMMAZDQRTDJ-QUYXGAPMSA-N 353.462 2.960 0 1 FFAF CC=C1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356503340 FCUKPABXXVEFHR-AOIWGVFYSA-N 370.449 2.520 0 1 FFAF CCCCO[C@@H]1C[C@@H]2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 2356583758 GEZHQZVRFGIEGQ-NRPZXZCKSA-N 373.449 2.947 0 1 FFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 36270851 GPTFOAJWBIXTMY-MQYQWHSLSA-N 371.218 2.688 0 1 FFAF CCCc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 38358158 WALOBABDZFRRRA-QGZVFWFLSA-N 365.433 2.929 0 1 FFAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)NCc1ccccc1 71317616 AIXGVEYYVSHDLJ-YBEGLDIGSA-N 368.414 2.706 0 1 FFAF Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)N2CCCOCC2)cn1 217086675 VBNQHICBRKOFQY-SFHVURJKSA-N 374.872 2.632 0 1 FFAF Cc1c(NCc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C 73195610 KNZPGIPEUVWWBW-UHFFFAOYSA-N 362.393 2.542 0 1 FFAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2[nH]ncc2C1 40893898 LHOJVHKKDRWEEV-NRFANRHFSA-N 367.541 2.801 0 1 FFAF in-vivo COC(=O)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1C[C@H]2O 14612572 ZPOUUMSSFPBHFP-RBUKOAKNSA-N 363.417 2.538 0 1 FFAF biogenic NCC1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40834281 HOLGEUXSWWPRIT-OAQYLSRUSA-N 350.466 2.785 0 1 FFAF CN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1 40956416 VHSCMHRRZRZLFR-UHFFFAOYSA-N 370.478 2.962 0 1 FFAF COc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1nc(C)no1 143599884 HVBKGKSKCCOWAR-UHFFFAOYSA-N 357.757 2.710 0 1 FFAF CN(C)C(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587227940 DLKGAPSOPOXBNI-UHFFFAOYSA-N 366.421 2.734 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587088412 MSMRZPKWHVJTIC-SNVBAGLBSA-N 370.425 2.563 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(=O)O)N1 587803303 OUSXBBPQBAOOIU-PWCHPLFNSA-N 354.179 2.633 0 1 FFAF CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12NCCc1c(C(=O)O)cccc12 963125286 SPZMQNNXTFKQEG-UGKGYDQZSA-N 365.429 2.900 0 1 FFAF c1coc(CN2CCc3sccc3[C@]2(CN2CCNCC2)C2CC2)c1 962720534 ZTXLQEZCOXNBEK-FQEVSTJZSA-N 357.523 2.910 0 1 FFAF CC(C)c1nn(C)c2c1[C@](c1ccccc1F)(c1nccn1C)NCC2 962925272 YNJUTEYSAOZCAS-HXUWFJFHSA-N 353.445 2.854 0 1 FFAF CN(C)C(=O)c1cncn1CC(=O)Nc1ccc(-c2ccsc2)cc1 1772596784 LGAZKMJKRKKPMF-UHFFFAOYSA-N 354.435 2.952 0 1 FFAF CCOC(=O)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492061 MTWDSEVOIVYRRL-UHFFFAOYSA-N 356.357 2.756 0 1 FFAF C[C@H](CF)N1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835345 APJOLOBANNPDKL-VQIMIIECSA-N 357.425 2.898 0 1 FFAF O=C(Nc1nccs1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 169208234 DZNDMCHVERGOMR-UHFFFAOYSA-N 366.446 2.948 0 1 FFAF Cc1c(COc2ncc(Cl)cn2)nnn1C1CCN(CC2CC2)CC1 1857566958 IRLJBYOWSCHCFV-UHFFFAOYSA-N 362.865 2.656 0 1 FFAF CCOP(=O)(OCC)[C@@H]1N=C[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 1857577128 CIWHQJBTCNPDOW-IHRRRGAJSA-N 356.359 2.597 0 1 FFAF O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1F)N1CCCCC1 3020247 GPBSULGGOCVJJV-UHFFFAOYSA-N 354.447 2.626 0 3 FFAF CCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F 3020757 CKNWVAZGMVTSJK-STQMWFEESA-N 356.463 2.632 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 100106741 PZBZMZZKIGROKJ-GQOYEBEOSA-N 372.465 2.987 0 1 FFAF COC(=O)[C@@H]1CC[C@]2(C)[C@H]([C@H]3C=C[C@@]2(O)C(=O)O3)[C@@]1(C)C=Cc1ccoc1 2356454024 WGJYPUWQDZUODK-GOYCMTACSA-N 372.417 2.731 0 1 FFAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@@H]32)C1 29468200 FFSMUXROXURAGP-CAOWOUHQSA-N 364.574 2.932 0 1 FFAF CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Br)cc1 71341167 WYOAADXIFMPPMO-CZUORRHYSA-N 367.195 2.553 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OC)cs1 82073623 JLPKJYUFBFSEIA-AWEZNQCLSA-N 360.435 2.986 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 85758509 QKXSRJAHTPTJNG-FKYRXAHNSA-N 368.514 2.916 0 1 FFAF endogenous,in-man COc1cc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC 250969323 TZFYONWORNHKAK-UGSOOPFHSA-N 373.409 2.519 0 3 FFAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O 587420360 KMALCGVUYZQHGS-MADCSZMMSA-N 352.177 2.693 0 1 FFAF CCOC(=O)[C@H]1CCSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454497 XGKDKGCJHBJPGJ-LPMFXHHGSA-N 362.447 2.888 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448386 ITMHSCJZGJWXRR-KBXCAEBGSA-N 359.403 2.555 0 1 FFAF CN1C=C(C(=O)O)[C@]2(NCCc3ccc(O)cc32)c2cccc(Cl)c21 963341137 LHLBOKHBKGJIEH-IBGZPJMESA-N 356.809 2.853 0 1 FFAF O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 14854777 UIPQDOWYNRWNGN-WSFKTYETSA-N 368.341 2.746 0 1 FFAF biogenic,in-vitro COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(C)o2)cc1 205373948 NUPPTUJYMAYSLP-KRWDZBQOSA-N 356.378 2.968 0 1 FFAF C=C1C(=O)O[C@@H]2C=C(C)C[C@@H]3C=C(C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)C(=O)O3 253929963 VUJQBTYMLACYEA-JCGSOOFXSA-N 360.406 2.634 0 1 FFAF Cc1ccc2nc3n(c2c1)[C@H](CNCc1ccc2c(c1)OCO2)COC3 2356344959 GVLYLHDVWBKUAW-OAHLLOKOSA-N 351.406 2.935 0 1 FFAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048988 LTPRHQFXAUPTQK-CVAIRZPRSA-N 351.450 2.845 0 1 FFAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1OC 103538571 ZQNKJTYYTWUTAA-HNNXBMFYSA-N 356.382 2.975 0 1 FFAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccccc2)=N1 101368744 AAUAVNGRJHAKQT-HOCLYGCPSA-N 360.369 2.643 0 1 FFAF CC(C)c1nccc(C[C@@H]2[C@H](NCC3CCCCC3)C[C@@H](O)[C@H]2CO)n1 2356289341 UBSOOAQPILZKKD-VNTMZGSJSA-N 361.530 2.670 0 1 FFAF O=C(c1cc(=O)c2c(O)cccc2o1)N1CCN(CC2CCCCC2)CC1 28637139 UBXIZAOKBJFTCC-UHFFFAOYSA-N 370.449 2.837 0 1 FFAF COC(=O)/C=C/c1ccc2c(c1)N(Cc1ccc(OC)cc1)C(=O)C2=O 103230082 HDGNKFJPXHBEEO-UXBLZVDNSA-N 351.358 2.611 0 1 FFAF O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCCCc1c[nH]cn1 26839704 WVOIILLAZREIKO-UHFFFAOYSA-N 361.389 2.871 0 1 FFAF CCOC(=O)c1ccc(N)c(C[S@@](=O)c2nc3ccc(OC)cc3[nH]2)c1 28230401 BYZZRNHFSCUDQS-SANMLTNESA-N 373.434 2.638 0 1 FFAF O=C(CC1(n2cccc2)CCOCC1)NC[C@@H]1CCCN2CCCC[C@@H]12 2356710995 CJPPOCNOSBPGMJ-OALUTQOASA-N 359.514 2.765 0 1 FFAF CC(=O)NC1(c2ccc(CN3CCN(c4nccs4)CC3)cc2)CC1 27989222 ARRDYBLJGQRGHL-UHFFFAOYSA-N 356.495 2.591 0 1 FFAF C[S@](=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71329835 XKSHJVRSLGTDOV-RUZDIDTESA-N 352.419 2.716 0 1 FFAF O=C(Nc1nc2ccccc2[nH]1)c1c(O)c2cccc3c2n(c1=O)CCC3 1911573079 UKONDMYBVGRGJB-UHFFFAOYSA-N 360.373 2.782 0 1 FFAF CN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1 43176085 AKLPJZCEMGVEQJ-UHFFFAOYSA-N 373.453 2.769 0 1 FFAF NC(=O)c1cnc(N2CC[C@@H](Oc3ccccc3C(F)(F)F)C2)s1 49033140 NDZZWAAUFMRWHJ-SECBINFHSA-N 357.357 2.919 0 1 FFAF CN1C(=O)[C@]2(CC(C)(C)C(F)(F)c3ccc(-c4cncnc4)cc32)N=C1N 95603307 VCWNHNVDZQGTBB-GOSISDBHSA-N 371.391 2.647 0 1 FFAF O=C(C1CC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95877480 SUIBKFBZOYMXIB-KCPJHIHWSA-N 351.244 2.535 0 1 FFAF O=C(NC1CC1)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 473133988 AGNRMVALGXTJGJ-GOSISDBHSA-N 370.836 2.955 0 1 FFAF CCC(/C=C/C(=O)N1CCC[C@H]1C(=O)OC)=C\c1ccc2c(c1)OCO2 653801322 QWCJQWQUSDYLOT-MQULPGOTSA-N 357.406 2.929 0 1 FFAF CCOC(=O)Cc1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651771 ZCJMEPDQVSAESJ-UHFFFAOYSA-N 358.419 2.739 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587233212 KGQKGBQDBVKMRV-RKDXNWHRSA-N 366.853 2.921 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnccc4[nH]3)CC2)cc1 586954330 GWTCYYJSHOLHFB-UHFFFAOYSA-N 356.451 2.835 0 1 FFAF COC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131684 RMXPVPNKZMOTHR-UHFFFAOYSA-N 352.337 2.968 0 1 FFAF O=C(O)[C@@]1(c2cccc(Cl)c2)CCc2nc3nc(O)nc(O)c3cc2C1 587368839 PPHMYEXCXZGTHT-SFHVURJKSA-N 371.780 2.601 0 1 FFAF COC(=O)c1ccnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587118253 LIBUXLCNKKBMOW-UHFFFAOYSA-N 365.315 2.886 0 1 FFAF CC(C)c1nn(C)c2c1[C@](CN)(c1ccccc1Br)NCC2 962918325 IFAJRZDBMFCCPF-KRWDZBQOSA-N 363.303 2.654 0 1 FFAF CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(c2ncccn2)C1 12436083 NLNKHBJHMNSOFK-KRWDZBQOSA-N 353.470 2.569 0 1 FFAF Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H](C4)[C@H]3C(=O)O)n2)cc1 169689695 MJOZUOSADICMIL-JOCBIADPSA-N 353.422 2.925 0 1 FFAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4Br)C[C@@H]32)n1 169701351 GATCPBZBYFRAAH-WFASDCNBSA-N 373.254 2.508 0 1 FFAF C[C@H](CCc1ccccc1)N1C=N[C@H]2C(=O)NC(Cc3ccccc3)=N[C@H]21 1857554384 BMJQYCDFXMASJJ-HBGVWJBISA-N 360.461 2.817 0 1 FFAF COc1ccccc1N1CCN(C[C@@]2(c3ccccc3)COCCO2)CC1 1857591232 FUAVCRFBSAKQCJ-QFIPXVFZSA-N 368.477 2.760 0 1 FFAF COc1ccc(CCCCCCSC[C@](O)(CC(=O)O)C(=O)O)cc1 13758264 JCNDJKCLQGXULO-GOSISDBHSA-N 370.467 2.822 0 1 FFAF c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCC2)n1 114773500 FQIFZDTVZAMMFS-UHFFFAOYSA-N 351.410 2.788 0 1 FFAF O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(C(F)(F)F)cc1 103256297 HRJSQPLHVZVNAF-INIZCTEOSA-N 351.280 2.824 0 1 FFAF C[C@@H]1C(=O)N(C(=O)n2cccc2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29479005 PZMYRUIGZUTRIX-XIRDDKMYSA-N 367.405 2.714 0 1 FFAF Cn1c(Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26827050 HUUBJTGKPUQLQG-ZDUSSCGKSA-N 354.391 2.655 0 1 FFAF CCCC(=O)N1c2c(O)cccc2[C@@]23CCN4CC[C@@H](C[C@H]12)C1=CCO[C@]143 2356537128 YSJIADOCDVFEDQ-ILZGGGOTSA-N 366.461 2.928 0 1 FFAF COc1cccc(Nc2nc(-c3cccc(C(N)=O)c3)nc3c2cnn3C)c1 64538978 JVIVKCOJUDVVSR-UHFFFAOYSA-N 374.404 2.881 0 1 FFAF COc1cc(C[C@@H]2C[C@@H](CO)[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 2356734440 OMBIBIJONAKBNB-BXTJHSDWSA-N 360.406 2.796 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@@H](C4)[C@H]3[C@H]1C 29228265 ILXJSQQEACLYCI-YDFHQEFMSA-N 353.462 2.903 0 1 FFAF COC/C=C/c1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 34190593 VHVQTNBRDOVOOA-GWKPYITFSA-N 358.390 2.976 0 1 FFAF O=C1c2cc3c(cc2OCN1CCc1ccsc1)C(=O)N1CCC[C@H]1O3 72171042 XAJRJCPZCYPUTN-QGZVFWFLSA-N 370.430 2.737 0 1 FFAF CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 34148914 NULFXNYRJYPFQC-MBMUHZCZSA-N 362.422 2.515 0 1 FFAF COc1cc(C[C@@]2(O)CC[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 238775822 AIPSXMGLGCDLLD-ZOCZFRKYSA-N 374.433 2.575 0 1 FFAF COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(OC)c32)cc1 96906834 WRQOOCMTJMFIRG-UHFFFAOYSA-N 357.337 2.904 0 1 FFAF N=C(N)SCCO[C@H]1CC[C@H]([C@H]2CC[C@](O)(CC(=O)O)CC2)CC1 253683257 AXHJHBJQQWLDTO-FZHAXYQESA-N 358.504 2.584 0 1 FFAF CC1=CCC[C@@](C)(O)[C@H]2C[C@H](CC[C@](C)(O)[C@H](O)CC1)[C@@H](C)C(=O)O2 299808028 FZQSMOGFOFEWKN-GHSJJHLASA-N 354.487 2.718 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1O 299840073 VKAQJLQUQSWQCC-UHFFFAOYSA-N 365.769 2.815 0 1 FFAF CC[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587618284 TXMDSZLOKYRLGH-OWZDWXTDSA-N 352.342 2.984 0 1 FFAF COc1cc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1S 963472090 OVUYYMNSNUJLQB-LIRRHRJNSA-N 359.447 2.860 0 1 FFAF CC(=O)Oc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963235736 RUAJBJLVFGHIFD-VQTJNVASSA-N 362.385 2.848 0 1 FFAF CNC(=O)c1ccccc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 1772642042 OUFZTPOOGKCRJE-UHFFFAOYSA-N 370.434 2.662 0 1 FFAF O=C(NCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 13443399 CSZLRTXLHDVGDH-WOJBJXKFSA-N 365.452 2.790 0 1 FFAF O=C(NCc1ccccc1F)[C@H]1c2ccccc2CC(=O)N1CC1CC1 1857545182 NZYITNACBRISGU-HXUWFJFHSA-N 352.409 2.978 0 1 FFAF O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 3956010 MUPMMKQQHLLQBN-HXUWFJFHSA-N 365.437 2.637 0 1 FFAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2O)cn1 103252879 OIZFHMDZCPVQBE-UHFFFAOYSA-N 356.403 2.928 0 1 FFAF OCCOc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114332314 QPEIXLYASHZHRM-SFHVURJKSA-N 352.438 2.620 0 1 FFAF Cc1ccnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)c1 102560699 DTMNTENXDWEENV-UHFFFAOYSA-N 350.407 2.892 0 1 FFAF NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccccc2)O3)c1 61904806 YWKJRBSYOHIZNM-SFHVURJKSA-N 359.385 2.790 0 3 FFAF CCn1c([C@@H]2CCCN(Cc3cccc4cnccc34)C2)nn(C)c1=O 67934203 MUFICTHCEAOWMU-QGZVFWFLSA-N 351.454 2.530 0 1 FFAF CNc1nc2[nH]c(-c3cccc(N(C)CCOC)n3)cc2c2c1ncn2C 73157086 WDNLDEPHLHIBLH-UHFFFAOYSA-N 365.441 2.636 0 1 FFAF CC(=O)N[C@@H](C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1 13369639 NNOWKGATWUOFNF-NSHDSACASA-N 356.451 2.794 0 1 FFAF biogenic O[C@@H](COc1ccc(C2CCNCC2)cc1)CN1CCc2ccccc2C1 219722811 AGPIEDORPMCVOO-JOCHJYFZSA-N 366.505 2.952 0 1 FFAF OC[C@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84603899 QZLWXAZGLFTHHX-YOHGGFGZSA-N 363.542 2.983 0 1 FFAF CC(=O)Nc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45350827 NILOQTWHZKPEKW-UHFFFAOYSA-N 373.416 2.959 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@@H](CO)COCc3ccccc3)co2)cc1 82074227 JQUFITGIUCHHMP-SFHVURJKSA-N 366.417 2.958 0 1 FFAF COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 195411043 PCMIHVHYLHCSMN-TUFGIGEDSA-N 366.417 2.981 0 1 FFAF O=C(O)[C@@H]1CS[C@@H](c2ccc(OCCCN3CCCCC3)cc2)N1 49036050 MZTQHKMNBOOZNY-IRXDYDNUSA-N 350.484 2.730 0 1 FFAF Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)C)cn1 143018090 FMCMZGOWUATYFJ-UHFFFAOYSA-N 353.382 2.552 0 1 FFAF Cc1ccc(OCCn2ccc(=O)n(Cc3cccc(C)c3)c2=O)cc1 95590795 PWSBIJXCMXJHDL-UHFFFAOYSA-N 350.418 2.754 0 1 FFAF O=C(O)C1CCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)CC1 299867281 QBWJJYNNPLRCON-UHFFFAOYSA-N 368.441 2.610 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(F)CCOC2=O)N1 587722530 SHDGFLQHYIFMFU-BKQRNIBNSA-N 360.198 2.993 0 1 FFAF C[C@H](CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC(=O)O 587963161 PBQRILISLKENDN-LLVKDONJSA-N 355.398 2.666 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OCCCO3 587401201 QSRCHYYZVQUBLF-FQEVSTJZSA-N 366.373 2.551 0 1 FFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(S)nc(S)nc2[nH]1 587175769 VTAYRKUNWNASJN-SECBINFHSA-N 360.443 2.793 0 1 FFAF CC(C)[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCc1ccccc1 587198493 GXMCPHFEWIRICG-AWEZNQCLSA-N 354.414 2.683 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncccc12 587789403 CIKUUWWNABUBDZ-PWJLMRLQSA-N 362.202 2.713 0 1 FFAF CC(C)c1nn(C)c2c1[C@@H](c1cccn1CC(=O)OC(C)(C)C)NCC2 962916949 XWFKBCLHPJNMFT-LJQANCHMSA-N 358.486 2.922 0 1 FFAF CCN1c2ncccc2C(=O)Nc2c(C3OCCCO3)cc(OC)nc21 5842133 MZRQUCWCSIOHPD-UHFFFAOYSA-N 356.382 2.644 0 1 FFAF COC(=O)C[C@@H](CCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1 13776605 CUWCNEISAWREFU-OAHLLOKOSA-N 367.453 2.556 0 1 FFAF CCn1ccc2cnc(NC(=O)c3ccc([C@](C)(O)CO)c(C)c3)cc21 118585550 QJLUVUWHGZTKRP-HXUWFJFHSA-N 353.422 2.817 0 1 FFAF COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]32)cc1 2356286319 JKUDUGNVGDWGFQ-SFTDATJTSA-N 366.461 2.615 0 1 FFAF COc1ccc(CNc2nc(NCCCO)nc3c2ncn3C(C)C)cc1 26404975 NZCWXCMQJWGCSQ-UHFFFAOYSA-N 370.457 2.822 0 1 FFAF CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 102234449 YWOCPCONMFAOJO-GJZGRUSLSA-N 356.875 2.550 0 1 FFAF CC(C)S(=O)(=O)N[C@@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356300108 UAXRBWBIFIHBTR-VIFPVBQESA-N 356.375 2.568 0 1 FFAF O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)CN1c1ccccc1 27980518 MGUGEGGOSCITJA-FQEVSTJZSA-N 366.461 2.618 0 1 FFAF C[C@@H](Nc1nc(N)nc(NCCc2cccnc2)n1)c1ccc(F)cc1 28346291 JUTGBMAUJDGJGB-GFCCVEGCSA-N 353.405 2.816 0 1 FFAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc[n+]([O-])c1 66113763 FTMXAQLXSXCMFL-FQEVSTJZSA-N 366.804 2.823 0 1 FFAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(C)[C@@]15[C@H]2C)[C@H]43 2356460385 SKCXCVICRJKXBC-FEZLZLTBSA-N 350.462 2.586 0 1 FFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](CC3CCCC3)C2=O)cn1 115731211 FGYCDDXDLONVOO-INIZCTEOSA-N 357.414 2.541 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 39160250 NRDFDFBBHZSEKP-MLGOLLRUSA-N 351.878 2.925 0 1 FFAF N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nsc3ccccc23)C1 45317898 UNZSVXYCAMZDGK-DOTOQJQBSA-N 366.490 2.879 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2 40374651 KPYLTXHXALSGPG-VDZJLULYSA-N 356.466 2.718 0 1 FFAF CC(C)[C@@]1(c2ccc(-c3ccc4c(ccn4C)c3)[nH]c2=O)OC(=O)NC1=O 84690907 UFGZUAACSOMAKB-FQEVSTJZSA-N 365.389 2.651 0 1 FFAF CC(C)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149344932 FBWKNGXJSCDCLF-HNNXBMFYSA-N 360.479 2.825 0 1 FFAF CC(C)(O)[C@@H]1Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3cc2[C@H]1O 238788165 LKYMSFJODNTXFB-RTBURBONSA-N 354.358 2.731 0 1 FFAF CC(C)CN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO 254128274 KAHZZVOWLVJRNO-LJQANCHMSA-N 360.477 2.536 0 3 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccc(C)n1 587868830 UNSIOSJEKBOPLB-UHFFFAOYSA-N 365.315 2.818 0 1 FFAF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587637763 IAXWFBCOSJSMBF-UHFFFAOYSA-N 362.382 2.720 0 1 FFAF COc1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)nn1-c1ccccc1F 587156428 NOTWDIUEIPEUMK-UHFFFAOYSA-N 351.341 2.662 0 1 FFAF Fc1ccc2nc(-c3nccnc3I)[nH]c2c1F 587186283 GWKITSHKCZHSFK-UHFFFAOYSA-N 358.089 2.903 0 1 FFAF Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1 168077409 LXBUPQQYMHCTRG-UHFFFAOYSA-N 366.396 2.961 0 1 FFAF COc1ccc(-c2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1 1857596048 ORBAWCWPKRGFKA-UHFFFAOYSA-N 374.393 2.952 0 1 FFAF Cc1ccc(S(=O)(=O)C2(C(=O)N3CCc4ccccc4C3)CC2)cc1 2467270 DCBIOELSEQUODD-UHFFFAOYSA-N 355.459 2.886 0 1 FFAF C[C@H]1C[C@H](C)CN(CCCNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 3906723 FHZKAOIKBMOIBL-GJZGRUSLSA-N 371.481 2.893 0 3 FFAF CCCn1c2ccccc2c2cnn(CC(=O)NCc3ccco3)c(=O)c21 6899964 XGEYSKYIYLNIEH-UHFFFAOYSA-N 364.405 2.671 0 1 FFAF CCC[C@@H](C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12 27196579 RYGQFSKYKSZFMX-GFCCVEGCSA-N 374.437 2.612 0 1 FFAF COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1N 58592750 CHINXCRUZNRNLM-UHFFFAOYSA-N 370.409 2.610 0 1 FFAF Cn1c(=O)c(Oc2ccccc2)cc2cnc(NC3CCOCC3)nc21 58633214 MQCPQHIQHJWGCZ-UHFFFAOYSA-N 352.394 2.712 0 1 FFAF in-vitro COC(=CC(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@@]1(C)O 2356447600 XLWNJIRNWLVIGU-UYAOXDASSA-N 372.373 2.590 0 1 FFAF O=C(NCc1ccc(Cl)cc1)c1nc(-c2cccs2)[nH]c(=O)c1O 28820296 FSFOUSUJEBSBEN-UHFFFAOYSA-N 361.810 2.787 0 1 FFAF CCn1c(=O)n(Cc2nc3ccccc3n2CCCO)c2ccccc21 38142830 NRQCMJVXOTWOHL-UHFFFAOYSA-N 350.422 2.603 0 1 FFAF Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)c(Cl)c3c2n1 73161864 AATSAEOJLFKJRS-BQBZGAKWSA-N 350.209 2.816 0 1 FFAF CCOc1ccccc1-c1nc(C(=O)OCCOCCN(C)C)cs1 82075137 STAMAMVLZUHQTA-UHFFFAOYSA-N 364.467 2.944 0 1 FFAF Cn1cc(-c2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2)cn1 45259936 UNDJSXKATAJAKY-UHFFFAOYSA-N 357.391 2.586 0 1 FFAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCC(C)C)c2cc1OC 82127677 PAJZPCQWACPJGO-CQSZACIVSA-N 374.485 2.924 0 1 FFAF COc1cccc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 95601887 ZKJOZWMECIBIDN-OAQYLSRUSA-N 365.433 2.905 0 1 FFAF Oc1nc(=Cc2c[nH]c3ccccc23)c(O)nc1=Cc1c[nH]c2ccccc12 253896634 OBARKCOAOZAQSU-UHFFFAOYSA-N 368.396 2.508 0 1 FFAF O=C(NC1CCCC1)c1ccc(CN2C(=O)N[C@H]3CCCC[C@H]3C2=O)cc1 618016592 HFVWRRPRVNDREN-MSOLQXFVSA-N 369.465 2.970 0 1 FFAF CO[C@@H]1CN(C(=O)Cc2cccs2)CCC(=O)N(C)c2ccccc21 299852056 MQVMHUYQVIQTNB-QGZVFWFLSA-N 358.463 2.873 0 1 FFAF C[C@@]1(c2cccc(O)c2)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1cccc(O)c1 299829018 JSZCJTFFFLFQBJ-VYJAJWGXSA-N 355.390 2.599 0 1 FFAF Cn1ccnc1C1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587510632 BUAJULHQCUGROQ-UHFFFAOYSA-N 362.433 2.941 0 1 FFAF NC(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997334 PWVWHJNLKGSJPH-GFCCVEGCSA-N 359.227 2.667 0 1 FFAF COC(=O)Cc1ccccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587783224 IVIFGQTVEZUHJG-UHFFFAOYSA-N 354.362 2.741 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085072 NHMKPWIUQWIZHN-UHFFFAOYSA-N 365.846 2.704 0 1 FFAF O=S(=O)(NCCc1nc2cnccc2[nH]1)c1c(Cl)cccc1Cl 586943212 YWIASWNPDKTRPO-UHFFFAOYSA-N 371.249 2.786 0 1 FFAF COC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349091 PHTCSSVUDAMQPG-IEBWSBKVSA-N 360.337 2.750 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2N)N1 587763306 JESWSXGHLFIQTI-GLEZIHRCSA-N 353.239 2.702 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@](c3cccnc3)(C3CCOCC3)c3cccc1c32 963029007 MTJKJRZFICYZKD-IVZQSRNASA-N 363.461 2.805 0 1 FFAF COC(=O)[C@]1(CC(=O)C(C)C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962641269 ZPDSXTJHGCCRSJ-XCLFUZPHSA-N 363.454 2.564 0 1 FFAF CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 19445961 KEFWKNLZHYIESM-KRWDZBQOSA-N 372.473 2.536 0 3 FFAF CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19500694 ATAPSLWJMJTOLG-KRWDZBQOSA-N 360.531 2.794 0 3 FFAF CCN1C[C@@H](CN(C)c2ccc(-c3nc(CC(C)C)no3)cn2)CC1=O 19771147 GALMHHYLBQHPSN-CQSZACIVSA-N 357.458 2.635 0 1 FFAF C[C@@H](C(=O)Nc1ccc(F)nc1)N(c1ccccc1Cl)S(C)(=O)=O 169305281 CHYZOINXDCLQCA-JTQLQIEISA-N 371.821 2.667 0 1 FFAF Nc1n[nH]c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 169352770 YVRNMJDEYTTWLR-UHFFFAOYSA-N 360.402 2.944 0 1 FFAF Cc1cc(NN)n2nc(SCc3ccccc3Br)nc2n1 1857614008 BABJQYPHROQGAM-UHFFFAOYSA-N 365.260 2.773 0 1 FFAF CC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N1C 1857630852 NTYLSQUODPDYLG-INIZCTEOSA-N 373.478 2.987 0 1 FFAF COc1ccc(C2=CC(c3c(O)cc(OC)cc3OC)=NCCN2)cc1 1857756343 BVVVPNZSLYTCCB-UHFFFAOYSA-N 354.406 2.851 0 1 FFAF COc1cc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(OC)c1 4924498 GITDRNWKAMGZSM-OAHLLOKOSA-N 354.406 2.658 0 3 FFAF NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1 27741075 QRIOKEQMTYUQCN-UHFFFAOYSA-N 364.810 2.706 0 1 FFAF COc1ccc(-c2cc(NC(=O)N[C@H](C)C(=O)O)c(C(=O)O)s2)cc1 103292708 VCXKNUULAUUNCH-MRVPVSSYSA-N 364.379 2.717 0 1 FFAF O=C(c1ccccn1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 61969199 UQBUXXIHBYSWHP-LJQANCHMSA-N 350.466 2.508 0 3 FFAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(F)cc1 28522106 BCSFHSXZSNONIV-UHFFFAOYSA-N 362.382 2.667 0 1 FFAF C[C@H](NC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O 66114452 JTAQLMRPSOWRBB-BYPYZUCNSA-N 369.221 2.803 0 1 FFAF Nc1cc(F)ccc1NC(=O)CCCCCNC(=O)c1nccs1 117586020 NVLGGELOEPKOBR-UHFFFAOYSA-N 350.419 2.793 0 1 FFAF CCNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 36520240 QITRQXXSCAOQLZ-INIZCTEOSA-N 360.797 2.584 0 1 FFAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 36378679 XWCKAUWZNDOCDX-KRUJCJHPSA-N 352.471 2.895 0 1 FFAF CC(C)(C)NC(=O)[C@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 72122058 FKVMWMWTKTZVFF-QFIPXVFZSA-N 371.525 2.947 0 3 FFAF COc1cccc(CC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 74377711 JPRWLOJJVFFCOR-RBUKOAKNSA-N 350.418 2.808 0 3 FFAF Cc1ccc2c(c1)c([C@H]1NS(=O)(=O)c3ccccc31)c(C)n2CC(=O)O 49036096 RRSJWWGATDVVSQ-IBGZPJMESA-N 370.430 2.724 0 1 FFAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N2CCCCC2)c1 82146275 NHAZEELTASUQMZ-UHFFFAOYSA-N 366.465 2.915 0 1 FFAF COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1 45347688 XHLKHNZUBYHMGL-QGZVFWFLSA-N 365.437 2.945 0 1 FFAF O=C(NC[C@@H](O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 199392469 JVHGWFMQJSOZSH-CQSZACIVSA-N 360.211 2.789 0 3 FFAF O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25233040 DMHVBDIWUPLWCZ-WBVHZDCISA-N 372.428 2.565 0 1 FFAF biogenic CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 93797556 NDYAXPIAEFCPMJ-HOTGVXAUSA-N 360.366 2.779 0 1 FFAF O=S(=O)(NCc1nc2cccc(F)c2[nH]1)c1ccc(F)c(F)c1F 587134700 VVCXSFICXHBPLB-UHFFFAOYSA-N 359.304 2.598 0 1 FFAF CN(Cc1nc2cccc(O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929480 VYCQVHKTPDOFQK-UHFFFAOYSA-N 351.815 2.743 0 1 FFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(F)cnc4[nH]3)cc12 587038401 SJNGZNSQTZHUHL-MRVPVSSYSA-N 358.402 2.845 0 1 FFAF COc1cc2c3c(c1)O[C@](CC[C@@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587431327 FPVCRVDVJQGUCY-GCKMJXCFSA-N 367.401 2.530 0 1 FFAF CCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)n1 587277098 ZVHDSTWAQNXWOU-UHFFFAOYSA-N 364.199 2.838 0 1 FFAF CCOC(=O)[C@@]1(c2cccnc2Cl)NCCc2c1c(C(C)C)nn2C 962909242 KYHAVTPPZUXXPA-SFHVURJKSA-N 362.861 2.544 0 1 FFAF Cc1cc2c(cc1O)[C@]1(CCOc3c(Cl)cccc31)N[C@H](C(=O)O)C2 963506944 GNIJQIHIDFGTQQ-HNAYVOBHSA-N 359.809 2.979 0 1 FFAF C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)NCCc2nc3ccccn3c21 962987110 UOAUXVQJBNBOEF-HXUWFJFHSA-N 362.412 2.522 0 1 FFAF COc1ccc2c(c1)[C@]1(C=C(C)N2CC(=O)O)NCCc2c(C)ccnc21 963075265 RPXXYKREYMKMPS-NRFANRHFSA-N 365.433 2.596 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@]3(C2)N[C@H]2Cc4c3ccnc4C2=O)C1 963290137 UIJFIIJMKQLSGF-RVHYNSKXSA-N 369.465 2.799 0 1 FFAF O=C1CCc2ccc(OCCCN3CCN(c4ccccn4)CC3)cc2N1 1772648548 CMDVDFOFZHNSAT-UHFFFAOYSA-N 366.465 2.557 0 1 FFAF CCN(C)C1CN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772612573 HXKUQMNJEYIBQI-SHTZXODSSA-N 367.501 2.515 0 1 FFAF O[C@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 13572740 AWLJZFUREZNLGG-SBNAJNSHSA-N 370.357 2.538 0 3 FFAF COc1ccc(-c2oc3c(O)c(OC)cc(O)c3c(=O)c2O)cc1OC 14437062 WQQCLPYPEXSIFI-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF endogenous,in-man C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 17252821 NSLCFWHFZKDOKC-SKOKVVANSA-N 369.417 2.940 0 1 FFAF O=C(c1ccccc1)N1CCC(N2CCc3ccccc3[C@@H](O)C2)CC1 1857647130 PTSAIMNAHINXFZ-NRFANRHFSA-N 350.462 2.883 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO 4206723 NUEARICFEPWQBE-WMZOPIPTSA-N 374.824 2.549 0 1 FFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@@H]([C@H](C)OC)[C@@H]23 2356457310 LTOOPESWVADEAE-VUKHWUTDSA-N 354.450 2.536 0 1 FFAF Fc1cc(F)c2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 114577905 BALDUDYARYXJIK-LBPRGKRZSA-N 362.405 2.827 0 1 FFAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CC[C@H](NC(=O)c3ccccc3)C1)C2 101505643 HBKRWXFJDGMODH-BZSNNMDCSA-N 371.481 2.643 0 1 FFAF CC(C)NC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284822 KIXKJNJCHBOALF-CQSZACIVSA-N 369.465 2.859 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@H]4[C@H](C2)N(CC2CCC2)CC[C@]314 101329536 LDVMINOGJBBSNA-NEQCHECNSA-N 365.473 2.960 0 1 FFAF C[C@@H](c1ccccc1)n1[nH]cc2nc(C(C)(C)CN3CCOCC3)nc1-2 103585807 VMQJIKRYZWBXAR-HNNXBMFYSA-N 353.470 2.930 0 1 FFAF Nc1nc(-c2ccc(P(=O)(O)O)o2)c(Sc2ccccc2)s1 66103546 QBSAAIPRTVAUJX-UHFFFAOYSA-N 354.349 2.940 0 1 FFAF COc1ccc(-c2[nH]nnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 113769162 XSXPMVJCVGFTBL-UHFFFAOYSA-N 357.366 2.879 0 1 FFAF CC=C1CN2[C@H]3C[C@H]1[C@](OC)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356486191 IPJDRQJBSLBGOM-LNNXQNCSSA-N 352.434 2.974 0 1 FFAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@@H](O)[C@@H](CO)C(=O)O 2356831296 JNZQQYUOGYYQLO-KBRIMQKVSA-N 356.459 2.994 0 1 FFAF O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1 198486160 CGCGVFWVVXOZDL-UHFFFAOYSA-N 359.382 2.653 0 1 FFAF Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nccnc5c4)n3c2)cn1 299863154 OOPMTQUFLBFANM-UHFFFAOYSA-N 359.368 2.803 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)S(C)(=O)=O)N1 587852272 ZLWZMRTXAMPZHF-OQPBUACISA-N 364.280 2.987 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)S(C)(=O)=O)N1 587852271 ZLWZMRTXAMPZHF-ISVAXAHUSA-N 364.280 2.987 0 1 FFAF C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)NCCc2nc3ccccn3c21 962987106 UOAUXVQJBNBOEF-FQEVSTJZSA-N 362.412 2.522 0 1 FFAF COc1ccc(OC2CN(c3ncnc4c3c(CC(C)C)nn4C)C2)cc1 1772608762 DGEVGQKNMPFAGC-UHFFFAOYSA-N 367.453 2.838 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](CN(C)C)c3ccccc3)ncc12 1772647109 XMWGLVNRVZQKOJ-INIZCTEOSA-N 367.457 2.814 0 1 FFAF CCOC(=O)C1=C(NC(=O)c2cc(C)on2)Nc2ccccc2N=C1C 5688938 KWSIZWJMLQFCBT-UHFFFAOYSA-N 354.366 2.706 0 1 FFAF COC[C@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 11933333 HRBKYRBJJADDEQ-LBPRGKRZSA-N 365.817 2.801 0 3 FFAF COC(=O)[C@@H]1C=N[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 13826675 FOJDNZXXDIBNGC-TVOLIBFISA-N 351.450 2.965 0 1 FFAF Cc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)cc1 205385621 YIYGCTCVGWGWEB-UHFFFAOYSA-N 373.412 2.958 0 1 FFAF NC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1 1857554472 SRMKBWXYOWWDPG-UHFFFAOYSA-N 365.368 2.725 0 1 FFAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCc4ccccc4[C@H]3C)c2C)n1 1857594078 KNGZQZUVWHYXOH-CYBMUJFWSA-N 363.421 2.744 0 1 FFAF CCCN(C1CC1)[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857632354 NVMVHXNLWUENRF-FZKQIMNGSA-N 350.413 2.707 0 1 FFAF CNC(=O)c1cc2c(s1)CCN1Cc3c(OC)ccc(OC)c3C[C@H]21 1857634882 DVJJVORWOYQYLX-CQSZACIVSA-N 358.463 2.780 0 1 FFAF CNC/C(=C\Cl)CNCCCCCCCNC/C(=C/Cl)CNC 13650063 RTHIWOKWLBTZER-OTYYAQKOSA-N 365.393 2.800 0 1 FFAF COc1ccc(CNC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 4869962 ZFKYZCNRVJGMAE-IMJJTQAJSA-N 361.438 2.690 0 1 FFAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2c1 2356299313 FQBPCOQYXDDFLM-WMLDXEAASA-N 362.355 2.975 0 1 FFAF COc1ccc(NC(=O)NC[C@@H]2COCc3nc4ccccc4n32)cc1 2356301840 GJRTYPHQQHEXCL-CQSZACIVSA-N 352.394 2.938 0 1 FFAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] 28861757 PCLVZBNCZUCIMY-UHFFFAOYSA-N 354.309 2.726 0 1 FFAF COCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OC1=O 28760288 DKFCRYXWDNNUNB-UHFFFAOYSA-N 357.454 2.644 0 1 FFAF NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12 114345078 ATMONDFPCFVRCS-GOSISDBHSA-N 361.449 2.978 0 1 FFAF CC[C@]12CCCN3C(=O)C[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 14829283 YGSZHGCBNWBWPD-QHAWAJNXSA-N 352.434 2.972 0 1 FFAF biogenic OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(O)cc2)CC1 49918214 RQUVFZGEFAYTLO-UHFFFAOYSA-N 363.461 2.672 0 1 FFAF C[C@H](C(=O)O)N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O 40875858 KRVPFJFEUNLXKD-CQSZACIVSA-N 355.394 2.766 0 1 FFAF CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO 95874730 XYCHWFJUQDPBHN-FSSWDIPSSA-N 365.477 2.520 0 1 FFAF CCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 263590304 JVMVTCORFZDLSX-MOPGFXCFSA-N 370.474 2.981 0 3 FFAF Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccncc3)c3ccccc32)on1 299856962 DISKSKIYCWVZPR-GZTJUZNOSA-N 360.373 2.947 0 1 FFAF Nc1c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cnc2c(F)cccc12 587176837 VABXYMTYODVQBO-UHFFFAOYSA-N 358.354 2.746 0 1 FFAF COc1cc2c3c(c1)O[C@](c1ccccn1)([C@@H](O)c1ccccn1)[C@@H](C2)C3=O 587436456 RIYYSHLYXLNMDQ-UZQPLGKSSA-N 374.396 2.862 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3nc(Cl)c[nH]c-3n2)CCC(O)CC1 587236516 AHQPUKMJODVGFQ-UHFFFAOYSA-N 367.837 2.613 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587428084 NFCJZLLVEHCWTK-RNODOKPDSA-N 368.316 2.838 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(OC)ccc(C)c41)[C@@H](C2)C3=O 587442918 ZVGRZXVLXJXFBR-YUNKPMOVSA-N 351.358 2.607 0 1 FFAF COC[C@]1(CC(=O)OC(C)(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630105 BOAIERKWVMJERY-RBZFPXEDSA-N 365.470 2.812 0 1 FFAF CCOC(=O)[C@@H](C)[C@]1(c2ccco2)NCCc2ccc(C(=O)N(C)C)cc21 962929699 VWMFQYYWYCYPOQ-SZNDQCEHSA-N 370.449 2.570 0 1 FFAF COc1cc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2cc1OC 1772597100 HJUIQWYLMURDJZ-SFHVURJKSA-N 374.466 2.576 0 1 FFAF CCc1csc(CNC(=O)c2ccc(NC[C@@H]3CCCN(C)C3)nc2)n1 11818814 UYBHYKFJUWHLLM-AWEZNQCLSA-N 373.526 2.784 0 1 FFAF O=C(O)Cc1nn(Cc2nc3cc(Cl)ccc3o2)c(=O)c2ccccc12 13448959 LURVWPRCGVAWKT-UHFFFAOYSA-N 369.764 2.867 0 1 FFAF O=S1(=O)N=C(NC2CCC2)Nc2cc(Cl)c(Br)cc21 13648652 QVBPRJRLCYLQAT-UHFFFAOYSA-N 364.652 2.715 0 1 FFAF COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC 15117453 SDTFURCSGWUESP-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic N=c1nc(N2CCC(N3CCC[C@@H](c4ccc(Cl)cc4)C3)CC2)[nH][nH]1 1857543516 GGDCCIUNJVQZKW-CQSZACIVSA-N 360.893 2.719 0 1 FFAF Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1 4375129 UUTFLOOIJMDNEY-UHFFFAOYSA-N 374.451 2.983 0 3 FFAF CCc1cc2c(cc3c(=O)n(CC(=O)NC4CCC(C)CC4)ncn32)s1 6749546 IKBASQBPXWTTBZ-UHFFFAOYSA-N 372.494 2.968 0 1 FFAF Cc1csc(NC(=O)[C@@H]2CCC[C@H](NC3CCC3)CN(C)C(=O)C2)n1 2356316428 JKZMRWAOYFWXOT-HIFRSBDPSA-N 364.515 2.549 0 1 FFAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@@H](C)N1 103282157 FUKRPRFEHOSVRT-CHWSQXEVSA-N 357.454 2.641 0 1 FFAF COc1cc(C(=O)N[C@H]2CCC[C@@H]3CN(C)CC[C@@H]32)cc(OC)c1OC 26189441 QZGOPRYNEGQTLA-KBMXLJTQSA-N 362.470 2.563 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c3c(c4c1[C@@H](C2)N(C)CC4)OCO3 3594908 WVFYXDXLDUXBOO-GFCCVEGCSA-N 355.390 2.890 0 1 FFAF biogenic CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2C[C@@H]3CC[C@H]2C3)cc1F 216250251 ZBFIUOVVLMZHME-XAGWURHQSA-N 367.442 2.960 0 1 FFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)cc2)C1 36380437 BPUQYDXINPWMRK-UHFFFAOYSA-N 360.483 2.752 0 1 FFAF Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1 40914858 XUNRETRJSBBZRI-UHFFFAOYSA-N 363.483 2.704 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 40954409 GEQVVCLGCINCDF-XLIONFOSSA-N 373.449 2.829 0 1 FFAF CO[C@]1(C)CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@@]3(C)CNCCS(=O)(=O)O)C2(C)C 238772420 OMVQPKQKZVZTMM-WZDWFBNESA-N 373.559 2.967 0 1 FFAF COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N(C)C)sc23)cc1OC 653693874 BHBYXNDWTCOCCG-UHFFFAOYSA-N 372.446 2.986 0 1 FFAF C[C@]1([C@@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597857 WQKGUZSBTDJCMJ-JOTOCRJQSA-N 353.374 2.639 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C)c(=O)c2)N1 587775405 RREHIFIIFGTKFB-FVMDXXJSSA-N 351.219 2.911 0 1 FFAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)N2C 587519246 WVTQMVZJIYPUCM-MOSFLFPUSA-N 369.461 2.925 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O 587444447 PWKTUPRIWFBEEZ-AVRDEDQJSA-N 364.445 2.768 0 1 FFAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023967 JFWMXUVBENAFDB-KIMHZCHSSA-N 364.445 2.793 0 1 FFAF COc1cccc(-c2nn(C)c3sc(C(=O)NCCN(C)C)cc23)c1 5006975 IMOBQBAYTNINKP-UHFFFAOYSA-N 358.467 2.602 0 1 FFAF CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 14824990 SLWSWKGGZQCLDU-UPILFSCHSA-N 373.449 2.846 0 1 FFAF endogenous,in-man Oc1cccc(CCCNC[C@@H](O)c2ccc(O)c3nc(O)ccc23)c1 1857571881 KRPZILIWVMUVCF-GOSISDBHSA-N 354.406 2.607 0 1 FFAF Cc1cc2c(C(N)=O)cccc2n1-c1nccc(=NCc2ccccc2)[nH]1 1857608833 PYTWQMRPRYMMCE-UHFFFAOYSA-N 357.417 2.862 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 103679778 PJQBNQWXRQYSNG-HHXXYDBFSA-N 357.431 2.550 0 1 FFAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccnc3)sc12 64559432 JMOTYSUHSWRMJS-LBPRGKRZSA-N 353.451 2.621 0 1 FFAF CC[C@@H]1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@H]1C3=Nc2ccccc21 2356623121 BMRYZKSXVDMCAO-OQXZSCPRSA-N 354.450 2.511 0 1 FFAF CO[C@H]1c2cccc3c2c(cn3S(=O)(=O)c2ccc(C)cc2)C[C@@H]1N 26670936 DQCXQMTXJOELTJ-LPHOPBHVSA-N 356.447 2.758 0 1 FFAF Cn1c(O)c(C2=NO[C@H](c3ccc4c(c3)OCO4)C2)c(=O)c2ccccc21 3846565 VFHANEXFMCRYKO-INIZCTEOSA-N 364.357 2.839 0 1 FFAF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(-c3ccc(F)cc3)nc1)C2 213181498 IVKZYCCYHBNVHH-OAHLLOKOSA-N 370.340 2.970 0 1 FFAF Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)ncc12 210678644 GVTWIUPSKQGJTH-ZBFHGGJFSA-N 352.398 2.582 0 1 FFAF CO[C@@]1(c2ccccc2)c2cc(Cl)ccc2N(C)C(=O)CN1[N+](=O)[O-] 33829469 AZMXGBILURMXKC-KRWDZBQOSA-N 361.785 2.658 0 1 FFAF Nc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)s2)cc1 72123205 SPBDPPHTQYIKQK-UHFFFAOYSA-N 354.391 2.811 0 1 FFAF O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1cccc(O)c1 1911575169 CXWOEXBOSLHVIG-UHFFFAOYSA-N 350.399 2.968 0 1 FFAF COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2O)ccc1O 14437076 BVDZFFALYPAOPM-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82194208 JGZGXVURJNJZHT-WBVHZDCISA-N 373.478 2.780 0 1 FFAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccnc2)n1 84704762 HOLCALZMYQNWHU-UHFFFAOYSA-N 365.462 2.867 0 1 FFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95893691 JWRMARUXAIOAHV-NJYVYQBISA-N 365.477 2.954 0 1 FFAF CC(C)CCNc1ccc(-c2cnc3ccc(NC4CN(C)C4)nn23)cn1 96907653 XXZUNVFSODNNMI-UHFFFAOYSA-N 365.485 2.975 0 1 FFAF COc1ccc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC 38244699 FYOTVUDLKBICQX-WHSLLNHNSA-N 372.417 2.971 0 1 FFAF biogenic CNc1ncc(-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)c(CC2CC2)n1 653745020 PMSGHAQGEQGPMJ-HDJSIYSDSA-N 353.474 2.610 0 1 FFAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 653810014 LFTBTXRZYMBASU-HNNXBMFYSA-N 357.391 2.876 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCCC1=O 587863971 UYHVATXLURLQOX-UHFFFAOYSA-N 367.327 2.840 0 1 FFAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCC(=O)O)cc1 587559505 JLZPYSORMNKZSS-UHFFFAOYSA-N 355.350 2.519 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(C)C1 587863965 UWKUFPHSFWBFTO-JTQLQIEISA-N 367.327 2.696 0 1 FFAF CCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)C1=O 1772634755 VORSMOSQAMLQRR-UHFFFAOYSA-N 364.398 2.855 0 1 FFAF O=C(Nc1csc(Cc2ccccc2Cl)n1)NN1CCOCC1 13553609 SHXCZPNMGBIOLN-UHFFFAOYSA-N 352.847 2.756 0 1 FFAF O=C1[C@@H]2C[C@@H]2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640900 NOOIIOJGBZCOSW-BYCMXARLSA-N 356.372 2.912 0 1 FFAF CS(=O)(=O)c1nnc(-c2ccc(NC(=O)OCc3ccccc3)cc2)[nH]1 1857751479 SZPWWVMNQZJKPH-UHFFFAOYSA-N 372.406 2.624 0 1 FFAF CC(=CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O)CO 2356406768 GGNFRQNGJUKIKW-UHFFFAOYSA-N 370.357 2.764 0 1 FFAF CC(C)(C)NCCCNC(=O)c1cccc(I)c1 7596115 YKQSWTFGSUNNEI-UHFFFAOYSA-N 360.239 2.799 0 1 FFAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)ccc1OC 104115964 JZXSCYRUIPSLND-UYTDBDHRSA-N 373.413 2.972 0 1 FFAF COc1cc(NS(=O)(=O)c2ccco2)ccc1-n1cnc(Cl)c1 103235426 DGISPBIZWJJKJV-UHFFFAOYSA-N 353.787 2.928 0 1 FFAF O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCc1ccccc1 61947328 QAEDQTCWGWASTJ-UHFFFAOYSA-N 373.416 2.722 0 3 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H]4CCCO4)ncc23)ccn1 219761432 KDVFZTGVARLRDD-CYBMUJFWSA-N 352.398 2.629 0 1 FFAF NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 40873580 OUOLOWFYQLLGNP-BAGYTPMASA-N 354.494 2.759 0 1 FFAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1 49113415 MTDWGYRUUAGIEQ-UHFFFAOYSA-N 358.448 2.695 0 1 FFAF CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccccc2)c1=O 45389251 TWPFONQLINDZHB-UHFFFAOYSA-N 366.446 2.607 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN[C@H](C)[C@@]12CC[C@H]2C 299805860 PERXRZUOQHGJMN-MUKUSQFXSA-N 351.878 2.827 0 1 FFAF Nc1cc(C(=O)O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587249270 KMFGSJXXFGYPLB-UHFFFAOYSA-N 357.679 2.924 0 1 FFAF CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)S(C)(=O)=O 587611012 YWUJRCPIUJFLOS-YOEHRIQHSA-N 362.403 2.546 0 1 FFAF Cn1nc(C(=O)O)c2c1CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587516273 RCQRERHAGWUUFV-NRFANRHFSA-N 366.417 2.890 0 1 FFAF NS(=O)(=O)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587016885 FRAIJEUSJRKMLB-UHFFFAOYSA-N 360.420 2.518 0 1 FFAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ncccn2)N1 963168111 FZXZBLPFMDVBLG-BXKDBHETSA-N 357.719 2.837 0 1 FFAF COC(=O)[C@H]1[C@@H](c2ccc(N)c(Br)c2)C[C@H]2CC[C@@H]1N2C 169318588 LDJPMOIHMAEPSX-FIXIBIHLSA-N 353.260 2.771 0 1 FFAF Nc1ncnc2c1C(=O)N(c1ccc(-c3ncccc3Cl)cc1)CCO2 169324846 QTQJHHORTFZVRP-UHFFFAOYSA-N 367.796 2.813 0 1 FFAF C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839814 STZRZIMQWDRFEY-IUODEOHRSA-N 373.478 2.683 0 3 FFAF CCCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O 29566696 XVSAIYNSRWZZHN-UHFFFAOYSA-N 360.362 2.918 0 1 FFAF COC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 27519087 SWOCNAZMBQHTAS-IAGOWNOFSA-N 373.380 2.615 0 1 FFAF CNC(=O)c1cn2c(-c3ccc(C)cc3)nc3c(NC)c(F)cc(c1=O)c32 101632691 HUSMKLIDFAAMGN-UHFFFAOYSA-N 364.380 2.801 0 1 FFAF O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F 28230889 XIOFXDCHSQWTJG-BJLQMHTGSA-N 355.431 2.893 0 1 FFAF CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 61905496 BZNAJYTXTHWRBN-SFHVURJKSA-N 358.467 2.694 0 3 FFAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1CCc1ccccc1 29127550 UPYFTHJFFHKOIW-UHFFFAOYSA-N 360.373 2.893 0 1 FFAF NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1NC1CCCCC1 28641034 ZEGBODHEWPGPOP-UHFFFAOYSA-N 355.442 2.680 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H]2OC(=O)[C@H](C)[C@@H]2C(=O)C1 2356745358 UWAIXFGHQNPRSB-QNFMEYNZSA-N 350.455 2.798 0 1 FFAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(CO)CC2)OCO4 2356819431 DLADBRMPRJPDCF-AWEZNQCLSA-N 355.390 2.505 0 1 FFAF CN1C[C@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1 2356868920 XFZDWODDUYICFL-CVEARBPZSA-N 355.442 2.573 0 1 FFAF CN1O[C@@](C)(CC(=O)NCCOc2ccccc2)N=C1c1ccccc1 74373721 PGCDABNKMKENGU-FQEVSTJZSA-N 353.422 2.612 0 3 FFAF COCON1C(=O)C(Cc2ccccc2)=N/C(=C\c2ccc(F)cc2)C1=O 33818900 ZBIAWDFXRSOYOU-PDGQHHTCSA-N 368.364 2.755 0 1 FFAF CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73142428 FHIYQYDVDZHAFM-UHFFFAOYSA-N 354.501 2.727 0 1 FFAF CC(C)[C@]12O[C@H]1C[C@@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O 45337149 VUKHORQAZYZECW-AEOKPUCASA-N 352.471 2.583 0 1 FFAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@@H]2O 137015430 KARPJTLGVFQYJV-MMKNTKNFSA-N 358.434 2.901 0 1 FFAF CC(C)N1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 98083991 QGBAWXKTUGBPFG-MSOLQXFVSA-N 359.447 2.829 0 1 FFAF COc1cc(N)c(C2=NN(C(=O)CCc3ccccc3)CC2)cc1OC 96907957 XJNGMKRRNMDPKD-UHFFFAOYSA-N 353.422 2.855 0 1 FFAF COc1ccc2c(c1O)CO[C@H]1C(=O)c3ccc(OC)c(OC)c3O[C@@H]21 73139980 NPLRFSWZYOARFO-LPHOPBHVSA-N 358.346 2.633 0 1 FFAF biogenic CN(C)S(=O)(=O)c1cccc2nc(CCOCc3ccccc3)[nH]c12 587566417 LUPZKZJNYMOUBL-UHFFFAOYSA-N 359.451 2.573 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)NC(C)=O)CC2=O 587471581 UFMMVMOVJHJVJT-LEWJYISDSA-N 369.417 2.660 0 1 FFAF COc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1=O 587588998 SSUNTBYJOZXXHG-YLJYHZDGSA-N 365.341 2.792 0 1 FFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(O)c2[nH]1 587260366 WJSYGGGWXHVJCW-AWEZNQCLSA-N 354.410 2.975 0 1 FFAF NS(=O)(=O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950361 KLLGAAKRYYUEOK-UHFFFAOYSA-N 361.467 2.696 0 1 FFAF COCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575830 GMGBFKJYIBQSCV-LPHOPBHVSA-N 366.373 2.938 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccn(C)c1=O 587863368 HUNFXHXWVDIYNO-UHFFFAOYSA-N 350.300 2.660 0 1 FFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587013338 KVZZBPKMHYFMED-UHFFFAOYSA-N 356.499 2.803 0 1 FFAF Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 587743643 FAQLICUFXWJJMV-NXSYQRQQSA-N 351.223 2.723 0 1 FFAF CC1(C)OC(=O)C([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 587536853 XGUXCIUMESDEPM-HXUWFJFHSA-N 358.390 2.742 0 1 FFAF COc1ncc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(N)n1 962999344 QPMPWBFLHFCUPK-MRXNPFEDSA-N 353.451 2.672 0 1 FFAF N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@@H]1C[C@H]1C(=O)O 13777502 VLZBRVJVCCNPRJ-WAWZGNHOSA-N 353.374 2.817 0 1 FFAF C[C@@H]1C(=O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H]1C)OCO3 14447989 YQLKOOGRXMGOOT-SULUTDIPSA-N 354.358 2.848 0 1 FFAF biogenic,in-vitro CCC(CC)(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(=O)OC 207333985 ORMBFRRUIZOBQL-UHFFFAOYSA-N 361.442 2.604 0 1 FFAF NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1 1857636367 GUBNPZDHUYZSLK-UHFFFAOYSA-N 350.403 2.939 0 1 FFAF C[C@@H](NC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 4931497 MBWBTEGIFPLFOZ-OAHLLOKOSA-N 355.413 2.941 0 1 FFAF O=P(O)(O)C(Nc1cccc(Oc2ccccc2)c1)P(=O)(O)O 52971757 CBXINIHJMCAHJT-UHFFFAOYSA-N 359.211 2.530 0 1 FFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)CC1CCCC1 61904999 KSMYGLSLFKJDHC-FQEVSTJZSA-N 358.438 2.968 0 3 FFAF COc1cc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)ccc1O 28567451 OFVONDWBNYQIFI-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF CC(C)(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 71329328 OIZHPCWMBIFDTK-UHFFFAOYSA-N 350.243 2.632 0 1 FFAF O=C(OCC1=CC=C[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 14489382 KTTMZEVXOJGXQS-OALUTQOASA-N 350.370 2.926 0 1 FFAF biogenic Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40413795 HAAJUHACTXVSDI-UHFFFAOYSA-N 351.362 2.772 0 1 FFAF CCOC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 84758894 QXFDPMCSDJQLEK-GFCCVEGCSA-N 354.366 2.768 0 1 FFAF COc1ccc2c(c1)cc(CO)n2C(=O)c1cc(OC)c(OC)c(OC)c1 40936304 WYSFCJZGRKFQCP-UHFFFAOYSA-N 371.389 2.857 0 1 FFAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232723 XVYLHOACFQJYJF-ZBFHGGJFSA-N 354.475 2.824 0 1 FFAF biogenic COCCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95553995 ZCODGLQHFMLQPJ-OAQYLSRUSA-N 352.478 2.804 0 1 FFAF CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@@H]3C(C)(C)CCC[C@@]23C)C1=O 85845005 OGRYTGWNPQIVMO-UZLBHIALSA-N 360.406 2.819 0 1 FFAF biogenic CC(=O)N1CCN(C(=O)c2nc3cc(C(F)(F)F)ccc3s2)CC1 653841643 HWTKPNUEPBAQHU-UHFFFAOYSA-N 357.357 2.619 0 1 FFAF CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 587559704 LTWOQRUPOYRRLV-OCCSQVGLSA-N 365.389 2.813 0 1 FFAF COc1ccc([C@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440817 CTYXRJXSNGHVIV-UTKZUKDTSA-N 368.385 2.910 0 1 FFAF O=S(=O)(c1ccc2nc(C3(F)CCCCC3)[nH]c2c1)N1CCOCC1 587131613 AGEQUSXSHHTJKE-UHFFFAOYSA-N 367.446 2.713 0 1 FFAF O=S(=O)(Cc1ccccc1-c1nc2ncc[nH]c-2n1)c1ccccc1 586921926 PBBYZUFHVBIMSL-UHFFFAOYSA-N 350.403 2.945 0 1 FFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C 586933686 WDSMLRYVYNRUMQ-CYBMUJFWSA-N 371.434 2.817 0 1 FFAF Cn1cc(-c2ncc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)s2)cn1 587021543 LFAZPXGVCDXZQX-UHFFFAOYSA-N 351.317 2.847 0 1 FFAF COc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(Cl)n1 587083804 MXJLGJQGRJJEEO-UHFFFAOYSA-N 366.830 2.537 0 1 FFAF CCCn1nc(C)cc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225259 JJBCNIZPLHASGT-MJGOQNOKSA-N 350.422 2.838 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@H](C=C1CN(C(=O)OC(C)(C)C)C1)NCC2 962927037 DHANFITUWOVLMI-SFHVURJKSA-N 371.481 2.752 0 1 FFAF Cc1nc([N+](=O)[O-])cn1Cc1nn(CNc2ccc(F)cc2)c(=S)o1 206872694 NVTKGNZFOLZUQU-UHFFFAOYSA-N 364.362 2.876 0 1 FFAF COC(=O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2ccccc2c1 13861939 SULFMPMRSCCZRA-QGZVFWFLSA-N 364.405 2.553 0 1 FFAF CS[C@@H]1C(=O)N(C)/C(=C/c2ccc(OCC=C(C)C)cc2)C(=O)N1C 206490955 QXYMNBLAEDQYLV-APEZIOSESA-N 360.479 2.992 0 1 FFAF O=C(NCc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccccc2)c1 1857543384 JHDXPBOKKDLJRY-UHFFFAOYSA-N 360.417 2.695 0 1 FFAF Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OCC=CCO2 1857626672 YTERIDFBKZENLC-IBGZPJMESA-N 367.401 2.748 0 1 FFAF O=C(O)C[C@@H]1[C@@H]2C=C[C@@H]3C(c4ccc5c(c4)OCO5)=C[C@H](O)[C@@H]4C[C@@H]1[C@H]2[C@@H]34 2356418159 XYHDKVJBIKILGM-BZRREXBDSA-N 366.413 2.948 0 1 FFAF NC(=O)C[S@](=O)[C@H](c1ccccc1)c1cccc(Br)c1 103246737 UHAPVHXNAHJXQO-FOIQADDNSA-N 352.253 2.773 0 1 FFAF COc1nc(OC)c2sn(-c3ccc(C(F)(F)F)cc3)c(=O)c2n1 26827334 SVXPNHVTWFTXHJ-UHFFFAOYSA-N 357.313 2.878 0 1 FFAF O=P(O)(O)CC[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1 26002391 MYIXHRPRUNLBLC-MRXNPFEDSA-N 358.338 2.761 0 1 FFAF COc1cc(/C=C/CN2CCN(CCC(C)C)[C@@H](CCO)C2)ccc1O 22930811 NMJAKOOQGMMBBT-PXPVJAHISA-N 362.514 2.829 0 3 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]341 27768681 LDVMINOGJBBSNA-GPQHGRCTSA-N 365.473 2.960 0 1 FFAF CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 35826921 VIGWCKLXTREABD-QGZVFWFLSA-N 374.412 2.507 0 1 FFAF Cc1cc(-c2ccc(F)cc2F)ccc1S(=O)(=O)NCCCCO 35303874 UGLZQNRBGQQECN-UHFFFAOYSA-N 355.406 2.991 0 1 FFAF Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@@H]3CCNC3)noc2n1 71995353 FKJSUBIRZCNMKT-CYBMUJFWSA-N 354.385 2.677 0 1 FFAF CCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C 84635603 XUAOXWXLVASZNU-UHFFFAOYSA-N 357.332 2.617 0 1 FFAF OC[C@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84603906 QZLWXAZGLFTHHX-URANKQGBSA-N 363.542 2.983 0 1 FFAF COc1cc2nc(Nc3ccc4c(c3)OCCO4)nc(N)c2cc1OC 45188860 WYWSBGNFXBRNKU-UHFFFAOYSA-N 354.366 2.744 0 1 FFAF 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2.731 0 1 FFAF Cc1nccc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 587111411 FMOITUUEGHBZNJ-UHFFFAOYSA-N 359.315 2.987 0 1 FFAF COc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 587038315 QKKCQOUGGHPWQY-VIFPVBQESA-N 370.438 2.714 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1 586937061 VXUJZOCPOMYTPO-UHFFFAOYSA-N 374.253 2.947 0 1 FFAF O=c1c(Br)c[nH]cc1-n1c(O)cc(Cc2ccccc2)c1O 587942227 TXBNIUQYQJJPQV-UHFFFAOYSA-N 361.195 2.930 0 1 FFAF COC(=O)c1cc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2cc1OC 587252013 UKKMKVSSGYELAB-UHFFFAOYSA-N 353.378 2.756 0 1 FFAF COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807198 LLIMESDAVMTPQV-CVKUXFQVSA-N 372.234 2.716 0 1 FFAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccc(N)c1)[C@@H](C2)C3=O 587433485 RBGCRONNGOZCJI-MGPUTAFESA-N 353.374 2.785 0 1 FFAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cs1 587021128 JWSJUSTWCAZSLJ-UHFFFAOYSA-N 359.436 2.637 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cnc(C(F)(F)F)[nH]c-3n1)C2 587246307 GEABLSOZBGAXCC-INIZCTEOSA-N 363.343 2.675 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCOCC2)N1 587769699 ZKZPZLDMJBBINY-ZBEGNZNMSA-N 357.267 2.670 0 1 FFAF CCn1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)n1 962693538 GCKVDEZAJHPZCZ-CJNGLKHVSA-N 371.334 2.923 0 1 FFAF OCCOc1cccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c1 11938009 WSACXBXHMMRUKC-GOSISDBHSA-N 370.449 2.863 0 1 FFAF CC(C)NC1=NS(=O)(=O)c2cc(Br)c(Cl)cc2N1 13648650 SARUFTRGNGBPNK-UHFFFAOYSA-N 352.641 2.571 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccccc2)C1 767177 ALCHWCWPKGFQHT-FOIQADDNSA-N 373.453 2.553 0 1 FFAF COc1ccc(-n2ncc3c(SCC(=O)OC(C)C)ncnc32)cc1 1346558 SJUKOOQOAWOBRT-UHFFFAOYSA-N 358.423 2.868 0 3 FFAF C[C@H](NC(=O)C1CCOCC1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356299199 BLEAYQINGSRONM-JTQLQIEISA-N 362.357 2.783 0 1 FFAF CCc1ccc(C2=NN(CCC(=O)NCc3cccnc3)C(=O)CC2)cc1 4668402 GFVCKHWNOGLJKE-UHFFFAOYSA-N 364.449 2.677 0 1 FFAF CC[S@@](=O)C1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)[C@H]3C=C1 2356557393 MTBGIYVKFUMHIU-KDKKVDMDSA-N 359.491 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CC1(C)C[C@H](O)C[C@](C)(CNc2ccc(Cl)c(S(N)(=O)=O)c2)C1 84602669 YSFDGLZSRNZXRG-LRDDRELGSA-N 360.907 2.977 0 1 FFAF O=C(O)C1CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1 98083891 BAEBABIKCWJWDT-UHFFFAOYSA-N 363.421 2.830 0 1 FFAF Cc1nccc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 587182431 OPVMIDYSSLWIBW-SECBINFHSA-N 367.194 2.985 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)nc(S)n1 587613166 MNRFYWRQCLZCLR-WMLDXEAASA-N 368.370 2.879 0 1 FFAF COC(=O)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652479 SKBQBEAADATVGB-UHFFFAOYSA-N 372.764 2.556 0 1 FFAF Oc1nc(O)c2ccc(-c3ccc(I)cc3)nc2n1 587369191 DRWFDBUUUBCQNH-UHFFFAOYSA-N 365.130 2.708 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 587229905 DKEOMMUGQHXHIS-KBPBESRZSA-N 361.442 2.617 0 1 FFAF Cc1cc2c(cc1O)[C@@](C)(c1cc(F)c(N)c(F)c1F)N[C@H](C(=O)O)C2 963510440 QNQMWACPKOYEBP-SGTLLEGYSA-N 366.339 2.563 0 1 FFAF CC(C)c1nn(C)c2c1[C@@H](c1cccc3c1CCC31OCCO1)NCC2 962918217 NPXZBOBHZIUMKG-HXUWFJFHSA-N 353.466 2.924 0 1 FFAF O=C(O)C1CCN(c2nccc3nc(NCc4ccccc4)ncc23)CC1 13366902 DEILRLSNQNCTIB-UHFFFAOYSA-N 363.421 2.938 0 1 FFAF CNc1ccc([C@H]2CN=C3c4ccc(C(=O)OC)cc4NC(=O)N3C2)cc1 216180535 VMDISULGNMLXFL-AWEZNQCLSA-N 364.405 2.906 0 1 FFAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCOCCO 4213608 APUIXQYQDYSRKC-IRXDYDNUSA-N 368.499 2.887 0 1 FFAF NC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 103248838 RFMBLAPGRBGNQC-UHFFFAOYSA-N 358.341 2.543 0 1 FFAF CN(C(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 66252035 QVHXSORJBCBTJB-UHFFFAOYSA-N 351.878 2.728 0 1 FFAF COc1cc(C[C@]2(O)c3ccccc3C3=NCCCN32)cc(OC)c1OC 26251734 LDLCQVOWBDOSGO-NRFANRHFSA-N 368.433 2.566 0 1 FFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H]4C[C@@H]4[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 27763637 YERVYLQWQFZZOC-BMQVPYPUSA-N 351.446 2.569 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C[C@@H](C)O)CC3 2356523010 CPJQTONOKGWFSY-RISCZKNCSA-N 371.433 2.618 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)[C@@H]1C[C@@H]1COC(=O)C3=CCC[C@@]2(O)[C@@H]31 2356669453 CABGQYFITSLGGW-NNWOKFIJSA-N 358.390 2.534 0 1 FFAF O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(Cl)c(F)c1 66263516 YHZSTPLUXFUXIB-BLLLJJGKSA-N 367.852 2.798 0 1 FFAF Cc1cc(=O)c2c3c(c4c(c2o1)[C@H](O)[C@@H](O)C(C)(C)O4)C=CC(C)(C)O3 13404287 FJUWPFOBWFPQGG-KBXCAEBGSA-N 358.390 2.851 0 1 FFAF biogenic COC[C@@H]1CCCN1c1nc(N(C)CCCN(C)C)nc2ccsc12 1911578856 SQXYXFUKQPPIKL-AWEZNQCLSA-N 363.531 2.694 0 1 FFAF COc1cc(O)c2c(=O)c3c(oc2c1)[C@@H](O)Oc1cc(OC)c(OC)cc1-3 14715275 INRSYSTZYGIZOF-IBGZPJMESA-N 372.329 2.575 0 1 FFAF biogenic C=C(CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C)C(=O)CO 14812826 CILYFPDQSVZRMZ-ORFRNNEJSA-N 352.471 2.943 0 1 FFAF biogenic COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCC3CC3)ncnc21 82179315 NGQPULNYTZVDEM-UHFFFAOYSA-N 369.425 2.676 0 1 FFAF COc1cccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c1 95572049 GSZJLWIXDWRUPC-UHFFFAOYSA-N 362.437 2.577 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)C3CC3)[C@H]2CO)cc1 95895092 IGUCQBFRJUMBIM-ZIIXWZJRSA-N 370.493 2.653 0 1 FFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@H]1CO 261108221 HRTOUPQLDWWXIX-ZIAGYGMSSA-N 367.401 2.651 0 1 FFAF COC(=O)c1cc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2cc1OC 587962722 WLDLXWBRRYNNAA-UHFFFAOYSA-N 354.362 2.576 0 1 FFAF COc1cccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12 587023534 FVFBEHFVXWVWMM-UHFFFAOYSA-N 361.427 2.783 0 1 FFAF COC(=O)[C@@H]1SCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854941 DZHBTASUQJPCCN-MIUALZABSA-N 374.275 2.996 0 1 FFAF CC1=C(c2ccc3nc([C@H](C)n4cc(Cl)cn4)[nH]c3c2)NNC(=O)C1 587082788 WQCYRCCRLWEWOO-JTQLQIEISA-N 356.817 2.778 0 1 FFAF CN1CC[C@]2(c3cccc(F)c3CCN2[C@H]2CCSC2)[C@H](CCO)C1 962717670 QONXBZVNYJKODX-GQIGUUNPSA-N 364.530 2.719 0 1 FFAF CCc1csc(CNC(=O)c2ccc(NC[C@H]3CCCN(C)C3)nc2)n1 11818815 UYBHYKFJUWHLLM-CQSZACIVSA-N 373.526 2.784 0 1 FFAF O=C(CCN1CCCC1=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 12431793 WOPJXSBMRTZTCK-MRXNPFEDSA-N 370.428 2.518 0 3 FFAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@@H](N)C1 205248734 UTZIYQNSLAYKSK-OAHLLOKOSA-N 371.448 2.928 0 1 FFAF CCOc1n[nH]c2cc(NC(=O)NCCc3ccc(OC)cc3)ncc12 209390259 PEOBBGAVUCKVDV-UHFFFAOYSA-N 355.398 2.729 0 1 FFAF CC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O 1857547056 ALCYGBKZIXJPOZ-UHFFFAOYSA-N 354.450 2.791 0 1 FFAF C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@]21O 1857581514 WDTUOLYNVPVKAD-XLJDWNLYSA-N 358.390 2.534 0 1 FFAF CC[C@@]1(c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCC(=O)NC1=O 1638991 JFDWFMLZMRVNIZ-NRFANRHFSA-N 362.385 2.572 0 1 FFAF Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCO)c2n1 3815548 JVBDSYKDNNKMJA-UHFFFAOYSA-N 365.220 2.730 0 1 FFAF COc1ccccc1CN1CC2(CCN(C(=O)c3ccncc3)CC2)C1 3956032 ISVXLZQEJGSTJN-UHFFFAOYSA-N 351.450 2.828 0 1 FFAF CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 100251630 XEGGZNIJBOUOJD-JKSUJKDBSA-N 372.425 2.950 0 1 FFAF COc1cccc(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)c1 59722075 OFLOBAXYODKRKU-UHFFFAOYSA-N 373.497 2.974 0 3 FFAF COc1cc([C@@H]2OC(=O)[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356518212 JOVBAVJQHJYOID-JNPHEJMOSA-N 372.373 2.717 0 1 FFAF O=c1cc([C@@H]2CCCO2)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 23129142 VILFWZJEAYHWSH-SFHVURJKSA-N 355.438 2.511 0 1 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CCCCC2)C[C@H]1CCN1CCCC1 2356573470 OGUHNVUJYHJQRS-QZTJIDSGSA-N 350.503 2.992 0 1 FFAF CCCCN(C)c1c(C)nc2ccc(C(=O)NC3CCN(C)CC3)cn12 61896922 WKMZGXHOEWGFML-UHFFFAOYSA-N 357.502 2.703 0 3 FFAF COc1cc(C)c2c(c1CO)Oc1c3c(c(O)c(C)c1OC2=O)C(=O)OC3 14715906 KAQGYSZTXRSGRW-UHFFFAOYSA-N 372.329 2.505 0 1 FFAF biogenic CCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40406074 UISKZIOZCXQSOG-UHFFFAOYSA-N 370.457 2.593 0 1 FFAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCCNC1 40897225 KNTWZURKOIFGHV-CYBMUJFWSA-N 358.467 2.778 0 1 FFAF COc1ccc([C@@H](O)[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 40563731 KLRIVPGGWAEQKR-WOJBJXKFSA-N 359.422 2.641 0 1 FFAF COc1cc(-c2oc3c(OC)c(O)cc(OC)c3c(=O)c2OC)ccc1O 238789312 BWMFGNNHQJQDSP-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF COc1cc(CCN(C)C)c2c(c1O)-c1c(ccc(OC)c1OC)C2=O 238768570 YCJMMOZHYTZHHN-UHFFFAOYSA-N 357.406 2.734 0 1 FFAF C[C@@H]1C[C@H]2O[C@@H]2CC=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299810792 HNHYYJJQMKGVLZ-DFKRKDTASA-N 366.797 2.916 0 1 FFAF CCOC(=O)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299886282 WXMNQPBCNFYGKD-XJKSGUPXSA-N 370.453 2.995 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)nccc3[nH]2)cc1 587228110 GDHHIDZIWBLSBF-UHFFFAOYSA-N 353.382 2.765 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115036 FGBFPCOMQBQUSQ-UHFFFAOYSA-N 370.356 2.894 0 1 FFAF FC(F)(F)c1ccn(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 587117969 HYQXRWSFXSCGIY-UHFFFAOYSA-N 350.226 2.781 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)OC=C1OCC(=O)O)CC2=O 587475800 AOOKYIDIEQBKGI-LJQANCHMSA-N 360.362 2.925 0 1 FFAF Cc1c(F)ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587169590 CXUFSVGYAIIBNQ-UHFFFAOYSA-N 351.378 2.970 0 1 FFAF CC(C)OC(=O)C1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(F)(F)C1 587130323 HTYVNOQEJHFKQT-UHFFFAOYSA-N 364.274 2.942 0 1 FFAF COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccc(C)cc1)C2 13584490 IGVBHYDYDRABBI-UHFFFAOYSA-N 374.506 2.730 0 1 FFAF CC(C)CCNCc1cccc(C(=O)c2csc(S(N)(=O)=O)c2)c1 13727872 MRICEOMWIZSYAC-UHFFFAOYSA-N 366.508 2.762 0 1 FFAF CN(C)c1ccccc1C[S@](=O)c1nccn1CCc1ccccn1 13746075 XJIQCDYZEIKAJQ-RUZDIDTESA-N 354.479 2.895 0 1 FFAF CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21 14976537 WOKQDEAOXMNEFH-IBGZPJMESA-N 354.793 2.513 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(-c3ccc(F)cc3)nc1)C2 209509904 JTNDNIZVPRVAJH-CQSZACIVSA-N 356.313 2.832 0 1 FFAF NCc1ncc(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)s1 1857585437 CCLJTQVYKROXIX-UHFFFAOYSA-N 374.443 2.800 0 1 FFAF C[C@H](O)[C@@H](CCc1ccc(C(F)(F)F)cc1)n1ncc2c(N)ncnc21 1857640661 VKRARDKHEBLTPF-IINYFYTJSA-N 365.359 2.982 0 1 FFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4049364 MSLDEDBADXHBHG-CVAIRZPRSA-N 368.433 2.674 0 1 FFAF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1ccccc1F)N(C)C2=O 4563247 WPMCPAWLVWCAPO-SJORKVTESA-N 359.353 2.838 0 1 FFAF COC(=O)[C@H]1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 6005702 QRRHPMVRAFWLHO-GOSISDBHSA-N 369.417 2.957 0 1 FFAF COC(=O)C[C@@H]1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 103286817 GZMOIPKDXGAENJ-SNVBAGLBSA-N 362.179 2.864 0 1 FFAF Cc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1 28475462 ZWORIKNQDGIUEY-UHFFFAOYSA-N 358.419 2.837 0 1 FFAF COc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1OC 116768591 SFGSUXSHZKYRAM-UHFFFAOYSA-N 356.382 2.806 0 1 FFAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)cc(C)n1 29415275 IXBMRPPZPMHYAD-UHFFFAOYSA-N 354.337 2.910 0 1 FFAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)n1 2356448960 WAEYMSWTBITFIM-RHSMWYFYSA-N 357.385 2.971 0 1 FFAF Cc1nc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(=O)[nH]1 23145950 XJPYZTGJLWSVJA-UHFFFAOYSA-N 364.405 2.753 0 1 FFAF CC[C@H]1C[C@H]2N3CC(=O)c4c([nH]c5ccccc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356666966 QLRCIBGKUAAWBR-JCZMEVJJSA-N 352.434 2.895 0 1 FFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@H]1O 2356817902 DOOTWSIZSJRCPQ-QGEIMKDYSA-N 363.527 2.523 0 1 FFAF CC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncsc21 35010319 UHFCJKJXWGHXHK-UHFFFAOYSA-N 361.398 2.814 0 1 FFAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]12 74379272 PNOUVGWTPBUHMV-CRAIPNDOSA-N 350.374 2.599 0 3 FFAF COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1O 14437217 PQOFRNYPEFLMSD-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 40950881 UWNHCVXSZHPSOC-XLIONFOSSA-N 373.449 2.829 0 1 FFAF COc1cc(OC)c([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 98085795 MUKXFOHIRNSOFT-UEJMICMHSA-N 364.438 2.621 0 1 FFAF O=C(CC1CC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1 95871697 DIMWPFMRBYHNBI-KCZVDYSFSA-N 368.452 2.825 0 1 FFAF CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC 617957260 BJHMBAYFJHTNQZ-SXWSKBOKSA-N 352.412 2.519 0 1 FFAF Cc1ccc(C(=O)N2C[C@H](N(C)Cc3ccco3)[C@@H]3OCCC[C@@H]3C2)o1 299841983 HFHPPBBFPSPBRG-HHXXYDBFSA-N 358.438 2.933 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587043278 YOPNTKVLLPGETG-KGLIPLIRSA-N 354.435 2.691 0 1 FFAF CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 587211145 CQQUNCPKCCZJQN-UGSOOPFHSA-N 367.401 2.600 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COCCN(C(=O)OC(C)(C)C)C1)O2 587398415 GLSBRJOZWHQYQW-LJQANCHMSA-N 362.426 2.549 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)c2ccccc21 587493945 USZQHDVSLGUXKS-LJQANCHMSA-N 358.415 2.993 0 1 FFAF C[C@@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588088 RVOKPILRRYPBMP-BEFAXECRSA-N 367.313 2.955 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCOCC3)nc1C)O2 587411927 GHIKVQFSUAEXNF-OAHLLOKOSA-N 359.451 2.885 0 1 FFAF O=C(O)c1cc2c(cc1F)[C@@]1(CCC2)NCCc2c(C(=O)O)cccc21 963130544 JLYGEYHJKJGSOS-FQEVSTJZSA-N 355.365 2.948 0 1 FFAF Cc1ncc2c(n1)CCC[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228105 IAFUIXFDHRZNTF-TZIWHRDSSA-N 360.417 2.512 0 1 FFAF C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C[C@H](C)N1 5930101 ICKOYARURFGSGZ-RYUDHWBXSA-N 373.428 2.750 0 1 FFAF Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1 13675147 VACJUKKURQMWHE-UHFFFAOYSA-N 361.409 2.766 0 1 FFAF CC1=C2C[C@H](C(C)(C)O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 15209464 QKXSRJAHTPTJNG-CIRVCLEFSA-N 368.514 2.916 0 1 FFAF endogenous,in-man COc1cc(CC[C@H](C[C@@H](O)CCC[C@@H](C)O)OC(C)=O)ccc1O 2356363168 IHVRRERKANCGKN-XOKHGSTOSA-N 354.443 2.567 0 1 FFAF CC1(C)CC(=O)C[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1 3635070 XLXJOOZEOJQFIM-UGKGYDQZSA-N 365.429 2.948 0 3 FFAF CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 4971498 RGCIHXSXSGCQCC-UHFFFAOYSA-N 350.484 2.700 0 1 FFAF CC(C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 104005083 YXBCXXZPPSTQHS-ZYHUDNBSSA-N 358.389 2.751 0 3 FFAF O=C(O)c1ccccc1C(=O)Nc1cccnc1C(=O)Nc1nccs1 28133887 QKVJVZKBFTXSAJ-UHFFFAOYSA-N 368.374 2.741 0 1 FFAF Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@H](C)O[C@@H]2CC(=O)CC(C)(C)O 2356405675 ALRKYRPHRIVAMM-UBHAPETDSA-N 366.410 2.788 0 1 FFAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)C=CC[C@](C)(O)[C@H](O)CC1 2356529465 HWHKBVPFJUPSOY-CUDHKJQZSA-N 350.455 2.558 0 1 FFAF CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862210 FTYFZKOXBSFMGS-CQSZACIVSA-N 359.426 2.885 0 1 FFAF CC(C)[C@H]1O[C@]2(O)C3=C(CCN3C1=O)c1nc3ccccc3c3ccnc2c13 14693404 KIKGCFUXDPHGDY-GCJKJVERSA-N 373.412 2.940 0 1 FFAF biogenic NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccccc3)cc12 84758552 QUNBGRFIZJUZTF-UHFFFAOYSA-N 366.402 2.616 0 1 FFAF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)CC1 82162852 LDEAUPSSPOZWHV-UHFFFAOYSA-N 363.421 2.776 0 1 FFAF C[C@@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C 96283371 NZDONLCAMPFJHQ-LLVKDONJSA-N 352.365 2.928 0 1 FFAF CNc1c(C(N)=O)c(-c2ccc3scnc3c2)nn1CC(F)(F)F 230565960 SLPBFYKEEKSGSQ-UHFFFAOYSA-N 355.345 2.863 0 1 FFAF COC(=O)C1=CNC=C([C@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 86020430 LRVNKWMVNDXIIY-WFASDCNBSA-N 363.417 2.800 0 1 FFAF biogenic COC(=O)[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 473135202 MKCWQWYIYCCVRR-PIGZYNQJSA-N 354.362 2.543 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc3scnn3c2=O)N1 962950626 HJWQGSSAZMUGME-NSPYISDASA-N 365.462 2.820 0 1 FFAF C[C@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@]2(O)C(=O)O1 11612567 AALLCALQGXXWNA-MWACEMLQSA-N 358.390 2.533 0 1 FFAF endogenous,in-man O[C@H](CCCN1CCN(c2ncc(Cl)cn2)CC1)c1ccc(F)cc1 13730867 RZBSYNVZZGXXQR-QGZVFWFLSA-N 364.852 2.905 0 1 FFAF COc1ccc2c(c1)[C@H](CCN(C)C)CN2S(=O)(=O)c1ccccc1 13864764 LWEWWHJJZIXSLB-OAHLLOKOSA-N 360.479 2.939 0 1 FFAF Cc1csc(NC(=O)[C@H]2CCC[C@@H](NC3CCC3)CN(C)C(=O)C2)n1 2356316427 JKZMRWAOYFWXOT-DZGCQCFKSA-N 364.515 2.549 0 1 FFAF C[C@@H]1CC(=O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 2356418083 WZRICMNGPGNPSX-JEUDPOJLSA-N 358.390 2.822 0 1 FFAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3O[C@H](C)CCN)c12 118736945 AEZIQAFYPBDDDR-SECBINFHSA-N 373.438 2.953 0 1 FFAF COc1cc(CCNCCCN)c(Br)cc1Br 103269925 BRPNWSUCRNKJCO-UHFFFAOYSA-N 366.097 2.701 0 1 FFAF O=C(C(=O)N1CCCC[C@H]1C(=O)NCCc1ccccc1)C1CCCCC1 26954357 VXEJDDGPKIGURS-IBGZPJMESA-N 370.493 2.876 0 1 FFAF COc1c(NC(N)=O)c(OCCN2CCCCC2)c(OC)c2occc12 29405214 WGVNQYROYYMDFQ-UHFFFAOYSA-N 363.414 2.805 0 1 FFAF CCCn1ncc(N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1=O 65311343 CHZIYJOMLYPFIH-UHFFFAOYSA-N 354.454 2.817 0 1 FFAF CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 20105105 YDIHMSYJSVIFEN-XLWVJDPXSA-N 360.454 2.710 0 1 FFAF CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@]3(C)C(C)=CCC[C@@H]23)C(=O)O1 2356664770 HVBPDPAZGSLRKM-JNAATOFTSA-N 364.482 2.963 0 1 FFAF CC=C1[C@H](O)OC[C@]2(C)C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 2356765112 RKNFTDYAQCNESB-GRVMKYMCSA-N 352.434 2.915 0 1 FFAF COc1cccc([C@@](O)(COc2ccccc2C)CN2CCN(C)CC2)c1 73156787 VXPILWLRLIZERK-QFIPXVFZSA-N 370.493 2.518 0 1 FFAF CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)COCc2ccccc2)cn1 74387722 SMJHXJGPDJSUDS-UHFFFAOYSA-N 372.469 2.546 0 3 FFAF CN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49088407 OHQBUEYIMQLWTE-UHFFFAOYSA-N 371.444 2.689 0 1 FFAF CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 195453198 ALIZQELSMNFNPZ-OIPACUDHSA-N 365.788 2.719 0 1 FFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CN(CC)C(=O)c2ccccn2)cc1 95895165 YTHFCMMKVCIUDY-ZZOAYFEISA-N 365.477 2.693 0 1 FFAF O=C(N1CCN(Cc2ccc(Cl)cc2)CC1)n1nnc2ccccc21 95576784 QAZITZZINARLBU-UHFFFAOYSA-N 355.829 2.871 0 1 FFAF O=C(c1ccc(CN2C(=O)c3ccccc3[S@]2=O)cc1)N1CCCCC1 299825705 NCMKPJLBHSCRQP-AREMUKBSSA-N 368.458 2.991 0 1 FFAF O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)C2 85953913 KVEOHUPMCIAFAK-INIZCTEOSA-N 350.326 2.685 0 1 FFAF biogenic Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)nc1 473170733 MQQOEAZYKORRJD-HHXXYDBFSA-N 374.448 2.828 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ncnc2[nH]1)C[C@@H]1CCCO1 587196955 DKDBDXFDRXAPNH-JTQLQIEISA-N 367.837 2.922 0 1 FFAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O 586991315 SWSDJROWTGDDMP-GFCCVEGCSA-N 359.337 2.835 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCN(C)CC2)N1 587764088 BZAMEBMFVJLCEB-SJKOYZFVSA-N 370.310 2.585 0 1 FFAF O=C(O)COCc1nc2c(Br)ccc(Br)c2[nH]1 587563289 QKHYNCPOPLHRQF-UHFFFAOYSA-N 363.993 2.689 0 1 FFAF C/C(=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NCCO 587758627 YOHWQGXEOIYNKR-MYNFNAEZSA-N 357.267 2.823 0 1 FFAF Cc1nn(CCO)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587767387 YUEVVEAOXFHQFW-XXFAHNHDSA-N 368.250 2.709 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC(C(=O)O)=C2)N1 587832294 JLAKHUUSBSAQFO-GLEZIHRCSA-N 354.175 2.830 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc[nH]n1 587869607 LMCWTVDSLLTFNQ-UHFFFAOYSA-N 351.288 2.579 0 1 FFAF Cn1ccnc1[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962927130 ZRFCZQTTWLBFOG-SCLBCKFNSA-N 357.410 2.512 0 1 FFAF CC[C@H](O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590201 YQGYBEZOIPYJAP-KRWDZBQOSA-N 371.441 2.937 0 1 FFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049307 OVKCQZKYKYWDLW-SKDZVZGDSA-N 357.479 2.906 0 1 FFAF CC(=O)N[C@@H](C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 27994586 YJZJQDZQTHPUEI-HNNXBMFYSA-N 356.445 2.740 0 1 FFAF COc1cccc(CN2CCC[C@H](NCc3ccc4nonc4c3)C2)c1 20295630 KERMTXHGTLDEDD-KRWDZBQOSA-N 352.438 2.986 0 1 FFAF COc1ccc([C@H](O)CN2CCC3=C(C2)NC(=C2C=C[CH]S2)N3C)cc1 2356841644 YOKOTRHTALXWIJ-GOSISDBHSA-N 370.498 2.815 0 1 FFAF COCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82141306 AMECPMGBVNEDLM-UHFFFAOYSA-N 360.433 2.751 0 1 FFAF Nc1nc(NCCc2ccccc2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O 45340313 SJPYIJJUXRCZGB-UHFFFAOYSA-N 359.389 2.541 0 1 FFAF CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1F 299821262 CCBYVMKBUMVAIZ-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF O=C(c1cccs1)N1CC[C@H](N2CCOCC2)[C@@H]1Cc1ccccc1 299841976 GZAIPRGIAJLERJ-ROUUACIJSA-N 356.491 2.906 0 1 FFAF CCc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 653663973 MJWKPNBATNDFDP-UHFFFAOYSA-N 357.377 2.585 0 1 FFAF COc1cncc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197018 GOQOJFQFCVKPMF-LBPRGKRZSA-N 362.430 2.883 0 1 FFAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586879690 MSAWBMASNMEMEI-JXMROGBWSA-N 371.418 2.682 0 1 FFAF CCn1nccc1[C@@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429878 BKXMUSXOMORPDL-VMGNRKAOSA-N 353.422 2.630 0 1 FFAF COc1cncc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587132197 MPTIIUUGTPFEAX-SECBINFHSA-N 354.357 2.936 0 1 FFAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12C=C[C@H](O)OC2 961778792 SELPDOFKLLRWCD-DYESRHJHSA-N 372.465 2.938 0 1 FFAF CN[C@H]1c2c(ccc3c2ccn3S(=O)(=O)c2ccccc2)[C@@H]1CCO 1772569883 QBRPGZFNANDQNL-HNAYVOBHSA-N 356.447 2.618 0 1 FFAF O=C(O)c1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1 13600511 URYXIQWOGDZVNU-UHFFFAOYSA-N 360.373 2.658 0 1 FFAF CCOC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 13776610 ZGOHPVFFWMLVKD-QGZVFWFLSA-N 366.465 2.924 0 1 FFAF OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12 13863617 BLLNREQHFDCHGW-UHFFFAOYSA-N 356.857 2.802 0 1 FFAF CCCCC[C@H](O)/C=C/CN(C/C=C\CCCC(=O)O)S(C)(=O)=O 169330683 NWTKHPNFGAQNLK-LVXYEWIUSA-N 361.504 2.557 0 1 FFAF Cc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 169350411 VXWKZRBIKLRWCS-MRXNPFEDSA-N 367.474 2.521 0 1 FFAF O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC[C@@H](c2ccccn2)NC1=O 209289320 CTYDDGCCDRLNIQ-WBVHZDCISA-N 364.449 2.888 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc21 4969143 LJVMOWDCTMATCW-CJNGLKHVSA-N 350.484 2.843 0 1 FFAF CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26376943 LPVMGHAIQBNBCR-AEFFLSMTSA-N 368.389 2.868 0 1 FFAF Cn1c(CO[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2F)nc2ccccc21 2356298768 AGCPBIPZUKESFH-YJBOKZPZSA-N 353.397 2.953 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1cccnc1 49110382 FPYSFTPLUFNAKW-HUUCEWRRSA-N 368.824 2.518 0 1 FFAF COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1 89774817 GSYFEKZSWFXBAB-UHFFFAOYSA-N 357.845 2.714 0 1 FFAF Nc1ncc(-c2ccc(C3(c4noc(-c5cnco5)n4)CCC3)cn2)cn1 96175503 KLWATVUTLSETIQ-UHFFFAOYSA-N 361.365 2.629 0 1 FFAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCCC1 95558536 FYDAZRQUPOCZGU-UHFFFAOYSA-N 361.471 2.857 0 1 FFAF CC[C@H](O)/C=C\C=C/C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 231931461 AOPOCGPBAIARAV-BDKSBRNISA-N 350.455 2.905 0 1 FFAF c1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)nc4)cc23)ccn1 299828198 HKLLGQOCDSVIKC-UHFFFAOYSA-N 373.420 2.767 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncccc12 587795621 RQVYXQRWBZSOFR-PWJLMRLQSA-N 362.202 2.713 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC1OCCO1)[C@@H](C2)C3=O 587455478 NNPXQEVXGRRUNE-YCRPNKLZSA-N 368.385 2.936 0 1 FFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(Cl)cnc3[nH]2)s1 587024073 NAHWUCABDVCENC-UHFFFAOYSA-N 366.834 2.823 0 1 FFAF NS(=O)(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161219 NCZTYUZHKAEYQM-UHFFFAOYSA-N 370.203 2.779 0 1 FFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 587205214 ZYGNEUVTICBOLG-GFCCVEGCSA-N 357.241 2.949 0 1 FFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2N1 587123264 HHTDMEOGQFTBDD-JMCQJSRRSA-N 364.331 2.833 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](C)(CC(=O)NCCc1ccccc1)NCC2 962919152 KBCGLBGHYPGNFN-OAQYLSRUSA-N 354.498 2.653 0 1 FFAF Cc1c(O)ccc2c1[C@@](c1ccc(Cl)s1)([C@H](C)O)N[C@H](C(=O)O)C2 963551421 NOLUMRRQLHNGIK-NSTVUXKKSA-N 367.854 2.639 0 1 FFAF O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccn1)C1CC1 1772645537 NVWSTSLHPRNNAP-PEKVBPLLSA-N 352.463 2.934 0 1 FFAF Cc1cc(=O)c2c3c(c4c(c2o1)[C@@H](O)[C@@H](O)C(C)(C)O4)C=CC(C)(C)O3 13404279 FJUWPFOBWFPQGG-RDTXWAMCSA-N 358.390 2.851 0 1 FFAF biogenic COc1cc(CO)ccc1NC(=O)NC(=O)c1ccc(F)cc1Cl 13673979 HBQINHWNGBKUPH-UHFFFAOYSA-N 352.749 2.942 0 1 FFAF CNC(=O)c1cc2c(Oc3ccc(-c4nnn[nH]4)cc3)cncc2s1 13864418 FRUSEGAEKFSWHN-UHFFFAOYSA-N 352.379 2.628 0 1 FFAF NC(=O)c1cc([C@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 169334895 KAJMGOVCKGGONI-ZUZCIYMTSA-N 367.371 2.918 0 1 FFAF COc1ccc(C[C@@H](N=O)C(=O)NCCSC)cc1Br 169727942 BJRSTBYHGUJTNG-LLVKDONJSA-N 361.261 2.614 0 1 FFAF CC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 2971306 NVUDDGLAQXHHTE-UHFFFAOYSA-N 371.437 2.964 0 3 FFAF O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 1857644208 UUIXRNNUJAHBIS-UHFFFAOYSA-N 361.449 2.662 0 1 FFAF C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 768761 RLBFVBUAFZKKKZ-XLIONFOSSA-N 372.852 2.800 0 1 FFAF COc1ccccc1CNC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 770248 QDVGAOAPIWLCBR-OAQYLSRUSA-N 367.449 2.818 0 1 FFAF CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc21 6832860 LGWGACXOFJOLGX-UHFFFAOYSA-N 360.435 2.565 0 3 FFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 104091808 FIQJVDDPBCHUFD-AWEZNQCLSA-N 371.824 2.951 0 1 FFAF CCN1C(=O)COc2cc(CN3CCN(c4ccccc4)CC3)ccc21 103249208 YDDHPYODGSUXJV-UHFFFAOYSA-N 351.450 2.754 0 1 FFAF O=C(c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)N1CCCCC1 21933674 LUNTVIQCKAUASJ-UHFFFAOYSA-N 370.428 2.694 0 1 FFAF CN1C[C@H]([C@@H](O)C(F)(F)F)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O 115764181 XELVPJGDFJHVCH-GHMZBOCLSA-N 367.249 2.741 0 1 FFAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@H]1[C@H]2C(=O)OC 2356449303 HZRZXZZTSRUSLH-GRGSLBFTSA-N 354.450 2.813 0 1 FFAF COc1cc(C=CC[C@]23C[C@H](C(=O)O)N[C@H]2Nc2ccccc23)ccc1O 2356549443 BJTCLTIDRHFSRO-MAODMQOUSA-N 366.417 2.940 0 1 FFAF COc1cc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc3c(c2)OCO3)ccc1O 2356641636 WTGJOVWSHSCACR-STXHMFSFSA-N 358.390 2.668 0 1 FFAF COC(=O)[C@]12C[C@@]34C[C@H](C)CC[C@@H]3[C@@]3(C)[C@H]1C(=O)[C@@H](C[C@@]3(O)O4)C2(C)C 2356797681 OHQMUENDPIGROS-VBLPKDANSA-N 362.466 2.695 0 1 FFAF COc1cc(CC(=O)OC[C@H](COC(C)=O)Cc2ccccc2)ccc1O 26737897 IFZONBQBMKGKGC-SFHVURJKSA-N 372.417 2.909 0 1 FFAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](C2)N(C)C[C@H]4O)OCO3 14966503 BZJWIBFUENZRJZ-ZIAGYGMSSA-N 355.390 2.676 0 1 FFAF biogenic c1cnc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1 40404083 WLFKWCNGQZKHGG-UHFFFAOYSA-N 355.467 2.922 0 1 FFAF in-vitro CCCC[C@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40379132 WPARLJDTEVDECR-DZGCQCFKSA-N 366.849 2.827 0 1 FFAF CC[C@@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799474 XHKLRCOWYFYQOE-ZYSBLVPFSA-N 355.251 2.864 0 1 FFAF N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587025465 MSEPEYXGJXFUGI-LLVKDONJSA-N 361.370 2.966 0 1 FFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(O)c2[nH]1 587202490 ITNWAMHDOYHEQN-CYBMUJFWSA-N 355.350 2.711 0 1 FFAF COc1c(F)ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1N 587132401 ACEBBDLGUBYQBU-UHFFFAOYSA-N 355.417 2.712 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCC(=O)N(C)C)c1)O2 587387907 UPNMXLFZNBVYCY-OAQYLSRUSA-N 368.433 2.925 0 1 FFAF COc1cccc2nc(-c3nccnc3I)[nH]c12 587186870 XLVIHCHDVHUHMS-UHFFFAOYSA-N 352.135 2.633 0 1 FFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(O)O 587614712 SUTMMXZQFHDXKY-BEFAXECRSA-N 370.382 2.622 0 1 FFAF Cc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1O 587656291 IWNPVNDUABCUJE-UHFFFAOYSA-N 367.315 2.530 0 1 FFAF Cc1nc(=N)[nH]cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743340 DGFHIXWUMFOCCW-PWJLMRLQSA-N 365.250 2.897 0 1 FFAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCCNC(=O)CC(C)=O)c2c1 587640585 BHTSKLHLFZMALV-GFCCVEGCSA-N 357.454 2.815 0 1 FFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCCO3 587223695 DLBYQZNIMLWPIX-CYBMUJFWSA-N 367.405 2.808 0 1 FFAF C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C[C@@H](C)N1 5929717 ICKOYARURFGSGZ-TXEJJXNPSA-N 373.428 2.750 0 1 FFAF COC(C)(C)[C@@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 201366980 KHYFBXFVIMYKJJ-FQEVSTJZSA-N 374.525 2.822 0 1 FFAF CCN1CCN(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857599719 BADALEVDXACSLP-UHFFFAOYSA-N 371.506 2.580 0 1 FFAF CCC(=O)C[C@@H]1C(C)(C)CCC[C@]1(C)[C@]1(O)CC[C@](C)([C@@H](O)CO)O1 2356331738 OJZVKDPZYTWJHP-QVHQYWGISA-N 356.503 2.799 0 1 FFAF Cc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 20416736 RGBFTQMMGMUVDU-YRGRVCCFSA-N 356.426 2.807 0 1 FFAF COc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27880739 PKBIYIKLZPXIDS-UHFFFAOYSA-N 350.357 2.667 0 1 FFAF CN(C)c1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28520969 NEVXDIOEAPPRJU-UHFFFAOYSA-N 369.446 2.762 0 1 FFAF COC(=O)C1=C(N2CCCCC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC 34819621 LKDSIRXDWPTAGQ-AUUYWEPGSA-N 359.447 2.714 0 1 FFAF COc1cc2oc3c(c(=O)c2c(O)c1OC)OCc1c-3ccc2c1OCO2 14683292 KRPNMZQYEXAVOD-UHFFFAOYSA-N 370.313 2.804 0 1 FFAF biogenic CCC[C@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149295616 PCABGJMPWSJFMR-CZUORRHYSA-N 367.243 2.567 0 1 FFAF CC(C)[C@@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 95596491 ASRWRMWLFZMROI-CQSZACIVSA-N 355.446 2.975 0 1 FFAF COc1cccc([C@@H](C(=O)O)N2CCCN(c3ccnc(C)c3)CC2)c1 95357510 YSNXQXBFORIQMD-IBGZPJMESA-N 355.438 2.737 0 1 FFAF FC(F)(F)COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 149987382 ZTYHAMMHLXFZFI-CQSZACIVSA-N 354.332 2.822 0 1 FFAF CCCC[C@H](C)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95590076 UQQBSWNPGFGQRN-NSHDSACASA-N 365.455 2.620 0 1 FFAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1cc2ccccc2nc1-3 96934886 PODXSGSAUXEGAW-UXHICEINSA-N 352.365 2.849 0 1 FFAF O=c1cc(N2CCOCC2)nc2c(CNc3ccc(Cl)cc3)cccn12 473132448 SPVBRZLKSLIIRB-UHFFFAOYSA-N 370.840 2.797 0 1 FFAF C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473105317 SCQPJPDAYDVHLT-GFCCVEGCSA-N 353.357 2.613 0 1 FFAF Cc1cc(C)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 586942247 INIOXHFCDAVIAP-UHFFFAOYSA-N 364.858 2.749 0 1 FFAF CN1CCN(c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)CC1 587041257 XNIPCTHGYGZGGG-UHFFFAOYSA-N 352.467 2.615 0 1 FFAF O=C(N[C@H](Cc1nc2cncc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587203064 NBXSCVJNOMGRKT-GFCCVEGCSA-N 374.784 2.533 0 1 FFAF COC1=COC(CO)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832237 JDAFFWMDCGRMRD-ABKXIKBNSA-N 370.218 2.712 0 1 FFAF Cn1cnc(-c2nccc3c(O)nc(OCCCC(F)(F)F)nc23)c1 584904707 GVIVKUKLHYWHES-UHFFFAOYSA-N 353.304 2.852 0 1 FFAF in-vitro Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCc1ccc(F)cc1 587650614 PCERYTKIXSUDGL-UHFFFAOYSA-N 360.410 2.949 0 1 FFAF CC(=O)N[C@@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512654 OBFOPDFOVGZATO-FCHUYYIVSA-N 365.429 2.881 0 1 FFAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)C3CCC3)cs2)CO1 1772623332 MGOMWLLZKHEFEX-QEKSWQHZSA-N 366.512 2.773 0 1 FFAF CC(C)NCc1cc(NC(=O)Nc2cccc3c2[C@H]2CCCN2C3=O)n[nH]1 13471127 FFKLNVQCVAPTNG-OAHLLOKOSA-N 368.441 2.842 0 1 FFAF O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 13580037 GISAKNBHIDHKQY-LLVKDONJSA-N 366.142 2.737 0 1 FFAF CC(C)NC(=O)c1onc(CSc2ccccn2)c1C(=O)NC(C)C 13660823 QQWCSRVDXYKZIQ-UHFFFAOYSA-N 362.455 2.638 0 3 FFAF CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O 27559471 YMVQALMWTZNEQG-UHFFFAOYSA-N 363.477 2.571 0 1 FFAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4c(C)cccc4n32)cc1 2356299706 MSUBWSWSLFYJNS-OAHLLOKOSA-N 351.406 2.855 0 1 FFAF COc1ccc(-c2cc(CO)n(C[C@H](O)c3ccc(OC)cc3)n2)cc1 66166622 OKIKTIZSCFCIIO-FQEVSTJZSA-N 354.406 2.793 0 1 FFAF CCC(CC)C(=O)NC[C@@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@H]1O 2356435312 BOMFPNNBNHXCPZ-BBWFWOEESA-N 366.502 2.976 0 1 FFAF CC1(C)OC(=O)C(Oc2cccnc2)=C1c1ccc(S(C)(=O)=O)cc1 26935517 OZPCEAIPYAKBRM-UHFFFAOYSA-N 359.403 2.611 0 1 FFAF C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F 72124567 CDWQVKCIKWCXMQ-GOSISDBHSA-N 365.426 2.592 0 1 FFAF COc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCc2ccccc2)cc1 1911585318 BVXYNBUJXGAJPY-IBGZPJMESA-N 352.434 2.545 0 1 FFAF COC(=O)c1cc(CCc2cc(OC(C)=O)ccc2OC(C)=O)ccc1O 40424884 PVIWUOLWLDTYEL-UHFFFAOYSA-N 372.373 2.815 0 1 FFAF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(CC)n1 82073542 FNQUATIGSKLGLS-CQSZACIVSA-N 354.472 2.670 0 1 FFAF C[C@@H](CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)N(C)C 142972960 LVSPUWRCTGAYQT-QMMMGPOBSA-N 360.311 2.574 0 1 FFAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95566851 KDPAURVWQDWNAY-IBGZPJMESA-N 354.406 2.801 0 3 FFAF COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N(C)[C@]15[C@@H]2C)[C@@H]43 238788796 SKCXCVICRJKXBC-UTAYYITASA-N 350.462 2.586 0 1 FFAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2CCc1ccc(Br)cc1 261140418 MYVMDLNNVMLPQJ-XNMHZHPBSA-N 358.279 2.752 0 1 FFAF COc1cc(/C=C/C(=O)OCCc2cc(OC)c(O)c(OC)c2)ccc1O 653857554 VTWKKTHQXAHGRW-FNORWQNLSA-N 374.389 2.923 0 1 FFAF COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c(C)c1C 653905719 CHAWXQBQWFYULO-MRXNPFEDSA-N 363.483 2.609 0 1 FFAF Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCCO5)cnn2c1 587009014 RGRWBYGMWFPYRF-UHFFFAOYSA-N 372.182 2.806 0 1 FFAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 587113365 QNWLDWQJXSCKJO-QMMMGPOBSA-N 355.345 2.609 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3CC(=O)OC)[nH]c2c1 587783704 ZCPHILGKQAQCQJ-UHFFFAOYSA-N 358.419 2.739 0 1 FFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)nc2[nH]1 586962530 FUQDYTFMNVEOOO-NSHDSACASA-N 359.411 2.792 0 1 FFAF O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c[nH]1)C(Cl)(Cl)Cl 587367148 UCWOYXULYZHNQA-UHFFFAOYSA-N 373.583 2.984 0 1 FFAF COc1nc(C)c(-c2ccc3c(O)nc(O)nc3n2)cc1Br 587365224 BNSOXTGHSWRZNU-UHFFFAOYSA-N 363.171 2.578 0 1 FFAF COC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353662 ZSAAHPUVNCJHIS-AZUAARDMSA-N 374.364 2.839 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2N)N1 587747391 QBIQGNNSHFNMDQ-VXJOIVPMSA-N 351.223 2.758 0 1 FFAF CCC(=O)[C@H]1C(=O)OC(C)=C[C@]12NCCc1cc3cccc(OC)c3nc12 963051698 FOZDBAKUFOGRRX-UWJYYQICSA-N 366.417 2.640 0 1 FFAF CC1(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CC1 148407209 ZHXPVTOJVBGVPQ-OAHLLOKOSA-N 372.490 2.970 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C[C@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 5126441 GUAPJNKJZHLRHT-YJBOKZPZSA-N 371.458 2.733 0 1 FFAF COc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1F 13538174 UYJJLRIXIZKXPQ-UHFFFAOYSA-N 362.386 2.615 0 1 FFAF CC(C)(C)OC(=O)NS(=O)(=O)Nc1ccccc1Br 13829716 DGIPSOYFGRRDRH-UHFFFAOYSA-N 351.222 2.631 0 1 FFAF CC[C@@H](COC)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167095755 HNUPZLDGHHUUIK-INIZCTEOSA-N 368.437 2.784 0 1 FFAF C/C=C1\[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@@]2(C)CO[C@H]1O 205272416 RKNFTDYAQCNESB-RVBGEYAMSA-N 352.434 2.915 0 1 FFAF COCCNc1[nH]c(=NCCc2cccc3ccccc23)[nH]c2ncnc1-2 1857607629 UQDSMWFVQLBJDT-UHFFFAOYSA-N 362.437 2.593 0 1 FFAF O=c1nc(C(F)(F)F)ccn1C[C@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742849 OCIXRDJANHBWSZ-HWRSSNJWSA-N 360.339 2.695 0 1 FFAF COc1ccc(C(=O)N2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356302289 QQBJMVMBANLLSF-MAUKXSAKSA-N 369.396 2.951 0 1 FFAF CC[C@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3occc32)c1=O 6807457 JVWMVJYGNULDOM-CQSZACIVSA-N 356.426 2.904 0 3 FFAF CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 2356572918 SLWSWKGGZQCLDU-RYQLBKOJSA-N 373.449 2.846 0 1 FFAF O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 28007416 IQRVVSJZXLQUGR-RHSMWYFYSA-N 364.873 2.821 0 1 FFAF COC(=O)C1=CC(O)=C[C@@H]2Oc3c(Cl)c(C)cc(OC)c3C(=O)[C@H]12 2356785331 ABJKRTDKXKNJPX-NWDGAFQWSA-N 350.754 2.772 0 1 FFAF COC(=O)[C@]1(Cc2ccc(O)cc2)[C@H](C)C(=O)N1Cc1ccc(OC)cc1 72118675 LZHPISSQSSJKAT-SZNDQCEHSA-N 369.417 2.534 0 1 FFAF CCc1nn(CCO)c(NC(N)=O)c1Cc1cc(Cl)cc(Cl)c1 45257203 ZKMFKYNWGXLQQR-UHFFFAOYSA-N 357.241 2.826 0 1 FFAF CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 49066998 YWOCPCONMFAOJO-GOOCMWNKSA-N 356.875 2.550 0 1 FFAF CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 82072308 VCKASXQOTNAWKF-UHFFFAOYSA-N 360.410 2.740 0 1 FFAF COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1N 40404059 KYZLWCQZSHKNIM-UHFFFAOYSA-N 356.382 2.551 0 1 FFAF CC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45245493 OMIQXPDSCUGRDP-CQSZACIVSA-N 355.442 2.932 0 1 FFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12 143007145 XQQSAQSHEVFKOP-MRXNPFEDSA-N 358.348 2.754 0 1 FFAF COc1ccccc1OCCNC[C@H](O)COc1ccc2[nH]ccc2c1 96939703 SQJTXMUKACJDCJ-INIZCTEOSA-N 356.422 2.585 0 1 FFAF O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCC1 95868003 BBBSHSKDXUJFMA-QUCCMNQESA-N 357.450 2.974 0 1 FFAF CCCc1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)on1 147720986 IOXSJNRYRBBGOA-UHFFFAOYSA-N 352.394 2.968 0 1 FFAF COc1ccc(O)cc1C1=C(O)[C@H](OC)c2c(cc(O)c(OC)c2O)O1 238771346 GVAHKRXMPNYZPJ-GOSISDBHSA-N 362.334 2.827 0 1 FFAF Cc1cc(C)cc(Cn2c(=O)cc(N(C)C)n(Cc3ccccc3)c2=O)c1 96914710 ZOHBNCKIXAQKFC-UHFFFAOYSA-N 363.461 2.789 0 1 FFAF COc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587150259 RFDHJEGIBXJEFI-LLVKDONJSA-N 358.348 2.761 0 1 FFAF COC(=O)c1ccnc2[nH]c(CCCc3ccc(OC)c(OC)c3)nc12 587924683 ANRQRZJQPDDGGL-UHFFFAOYSA-N 355.394 2.937 0 1 FFAF N=C(N)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005580 LLHGMYKMSHAFGX-UHFFFAOYSA-N 351.595 2.720 0 1 FFAF O=C1NC(=O)[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 587106701 NIQGFOWODVVPKU-QFIPXVFZSA-N 369.380 2.513 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586959548 RBFHJBISTDRTIR-IBGZPJMESA-N 371.462 2.911 0 1 FFAF COC(=O)[C@@]1(CC(=O)c2cccc(C)c2)c2ccsc2CCN1C(N)=O 962715435 RTNBHIZYOVYMSH-LJQANCHMSA-N 372.446 2.635 0 1 FFAF CC(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12456752 ZJWMKAFWNVNDQF-HNNXBMFYSA-N 373.428 2.992 0 3 FFAF CC[C@@H](Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759700 CTAZJMUKYKCOMY-GFCCVEGCSA-N 359.480 2.893 0 1 FFAF CO[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@@]3(C)CNCCS(=O)(=O)O)C2(C)C 2356414074 OMVQPKQKZVZTMM-VTUFONIJSA-N 373.559 2.967 0 1 FFAF CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)CC1 4845792 MUOAMTUYGRKATG-QXGSTGNESA-N 364.445 2.870 0 1 FFAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 4903305 VGDDIIGMGNEWSS-XLIONFOSSA-N 364.445 2.721 0 1 FFAF COC(=O)[C@]12CCC[C@@]3(OC)C=CCN(CCc4c1[nH]c1ccccc41)[C@@H]23 2356374942 KVLQNTRAADGZNE-CEMLEFRQSA-N 366.461 2.944 0 1 FFAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1[nH]c(CC)nc1Cl 103288615 UZJCXNPNICABCP-CYBMUJFWSA-N 367.833 2.596 0 1 FFAF CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1 26750403 QPRHRZPHQFTUAB-YCRPNKLZSA-N 353.466 2.506 0 1 FFAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@@H](OC(C)=O)C(C)=CCC1 2356600409 KUOMJFRFJMUJKK-IUHNQTRMSA-N 350.411 2.716 0 1 FFAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21 34859913 RTZNDPCPMCAPRK-UHFFFAOYSA-N 370.474 2.854 0 1 FFAF CC(C)(C)NC(=O)[C@@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 72122057 FKVMWMWTKTZVFF-JOCHJYFZSA-N 371.525 2.947 0 3 FFAF Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O 14514501 CSGRLGAFZYJPSG-GOSISDBHSA-N 358.302 2.509 0 1 FFAF biogenic CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2cccnc2)C(=O)O1 40915299 AZRVQVNCYCMXGY-PLMLNFJUSA-N 361.438 2.903 0 1 FFAF CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NCCO)cc3)ccnc2[nH]1 95553253 FNMOTKZHZAEQQF-UHFFFAOYSA-N 373.478 2.798 0 1 FFAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 95574438 QZGOMZOGZCMFCJ-HXUWFJFHSA-N 360.373 2.846 0 1 FFAF CC1=CC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)O1 653686896 FTDYLXKSXXTXOM-UHFFFAOYSA-N 357.387 2.544 0 1 FFAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(N)ncnc2[nH]1 587189990 FOKREVCHJMRLIF-CYBMUJFWSA-N 354.414 2.891 0 1 FFAF O=C(c1ccc(N2CCOCC2)cc1)n1ncc2ccc(Cl)cc2c1=O 587654057 GXRXROPBNDZIHL-UHFFFAOYSA-N 369.808 2.575 0 1 FFAF COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 587609578 NXJXYRRGACQCQK-APWZRJJASA-N 356.374 2.918 0 1 FFAF CCCCNS(=O)(=O)c1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 587963354 TZPMRJONAULWNC-GFCCVEGCSA-N 367.471 2.685 0 1 FFAF COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442249 KOWJEADCISSDSJ-IERDGZPVSA-N 368.385 2.910 0 1 FFAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCCC(=O)O)cc1 587559993 SFSMXZBDUITJBQ-UHFFFAOYSA-N 369.377 2.909 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1N)[C@@H](C2)C3=O 587427660 FFDSUHYPFJCXBL-RBZFPXEDSA-N 355.390 2.957 0 1 FFAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586939432 OTQYJRBALSLWNG-SSDOTTSWSA-N 374.253 2.643 0 1 FFAF COC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 587156048 LGUFHSYXQVQVQY-SFHVURJKSA-N 354.341 2.675 0 1 FFAF C=CN1CC[C@H]([C@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587450993 HOPAAVHJVHVZSP-KSMMKXTCSA-N 359.447 2.536 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4cc(F)ccc41)[C@@H](C2)C3=O 587429093 TUAYWMBJQAYOPM-RNODOKPDSA-N 368.316 2.838 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587731 HLOAODISEKNVAD-KDOFPFPSSA-N 366.329 2.605 0 1 FFAF COc1ccc2c(c1)C1(CS(=O)(=O)C1)N(Cc1ccc(F)cc1)CC2 963305282 XDGUECQGJFDQDU-UHFFFAOYSA-N 361.438 2.516 0 1 FFAF C[C@@](O)(c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1)C(F)(F)F 1772604622 MCQFMPCNUFRGJM-MRXNPFEDSA-N 366.343 2.745 0 1 FFAF CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 11789193 RMOWVQKNBIMGGQ-LJQANCHMSA-N 360.479 2.552 0 1 FFAF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc(-n2ccnc2)c1 169714446 JVYGJTIIBRCFAF-SJLPKXTDSA-N 367.405 2.667 0 1 FFAF C[C@@H]1C[C@@H](O)C2=C(C[C@H]3C[C@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O 205270886 MFHOMRGXWAMDNN-HDYAWZBYSA-N 358.390 2.677 0 1 FFAF CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 1491370 LAJPWWATQVPFEQ-CYBMUJFWSA-N 355.446 2.597 0 1 FFAF COC1=CC(=O)O[C@H](c2coc(C(=Cc3ccc(Cl)[nH]3)CO)n2)[C@H]1C 2356409120 ZFKNRTLKFAAYBN-FVMDXXJSSA-N 364.785 2.953 0 1 FFAF CSc1ccc(CCNC(=O)Cn2ncc3ccsc3c2=O)cc1 6804600 CXDPXLXRVABUSP-UHFFFAOYSA-N 359.476 2.539 0 1 FFAF O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc1c(F)c2 103258338 CLCYYBNLZMBPBL-KROLTMCQSA-N 371.364 2.579 0 1 FFAF Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n1 55042306 NQVHLVNNGLUIBJ-FQEVSTJZSA-N 364.493 2.817 0 3 FFAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1S(=O)(=O)c1ccc(F)cc1 28377238 QBEBCVYUOCHTBO-UHFFFAOYSA-N 367.423 2.852 0 1 FFAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1 22941489 IFIIHJSXBMXLER-QGZVFWFLSA-N 367.468 2.921 0 1 FFAF COc1ccccc1N1CCN(C(=O)[C@H]2CN(C)c3ccccc32)CC1 2356802920 WNUQFMZYDRXEEY-KRWDZBQOSA-N 351.450 2.577 0 1 FFAF NC(=O)[C@@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 66075827 OASXAPUIZDEBLF-LSBZLQRGSA-N 365.468 2.591 0 1 FFAF O=C1NCC2(CNC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3 72108129 IRRXSIKWWQZKJR-UHFFFAOYSA-N 374.419 2.566 0 1 FFAF C[C@@H]1CCCN1CCCOc1c(F)cc(-c2ccc(=O)n(C)n2)cc1F 72118739 YNVCMSXVHXXVJI-CYBMUJFWSA-N 363.408 2.979 0 1 FFAF COCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150631 ZBJCECVYWDBOPW-UHFFFAOYSA-N 358.417 2.871 0 1 FFAF Cn1c(O)c(C2=NCCN[C@@H](c3cccs3)C2)c(=O)c2ccccc21 24717226 UXNMYBAVBUHQID-CYBMUJFWSA-N 353.447 2.829 0 1 FFAF biogenic CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441383 KEIBMBQJCAOKMK-MNVSYLFESA-N 358.390 2.504 0 1 FFAF COC(=O)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cn1 587084464 AYNZKQNLDARPDB-UHFFFAOYSA-N 372.816 2.572 0 1 FFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 586929905 CXOBBWCWFLLTSI-UHFFFAOYSA-N 371.466 2.544 0 1 FFAF N=c1[nH]cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 586985196 SHXZUUUYLWRVGM-CYBMUJFWSA-N 373.258 2.665 0 1 FFAF COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442986 SDBYMYYGVYNSMX-QRWLVFNGSA-N 356.374 2.915 0 1 FFAF Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)NCCc2nc3ccccn3c21 962989328 ZPDBZDBROUBMFP-OAQYLSRUSA-N 361.401 2.701 0 1 FFAF Cc1cc(Nc2nc(NCCO)c3cnn(C)c3n2)cc(C(F)(F)F)c1 1772605886 KOGFVZZNIRHSPN-UHFFFAOYSA-N 366.347 2.838 0 1 FFAF CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1 19367042 IXVCIBUMKQSKPD-GOSISDBHSA-N 358.490 2.572 0 3 FFAF CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(\C)CC/C=C(/C)CC[C@H]32)CC1 169367877 MBHDDUWLICMNCR-XJQHZOOESA-N 360.498 2.775 0 1 FFAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4ccccc4F)nn3)ccc21 1857552669 DRVHBBCKFARTQS-GFCCVEGCSA-N 369.352 2.936 0 1 FFAF CC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857610045 JTBPIHQIODVQHY-UHFFFAOYSA-N 352.398 2.735 0 1 FFAF COC(=O)c1ccc(COc2ccc(C[C@@H](C)N(C)CC(=O)O)cc2)cc1 1857766962 HLKXOMQMUCQZGN-OAHLLOKOSA-N 371.433 3.000 0 1 FFAF NC[C@H](O)CNc1cc(N2CCCc3ccccc3C2)nc2ccccc12 205293874 DGQZVYKDPGIRQY-SFHVURJKSA-N 362.477 2.919 0 1 FFAF Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3cccs3)cc21 6794459 BHQCAMFBQAVMFK-UHFFFAOYSA-N 356.451 2.791 0 1 FFAF O=C1[C@H]2[C@H]3CC[C@@H](C3NCc3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 104086033 RAKHRCAHNDHPHV-APISQKPESA-N 360.457 2.986 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632528 ICSWGEYUPVMDJL-WFASDCNBSA-N 353.447 2.755 0 1 FFAF CCCC[C@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 20140374 ONZAZWBNSWQYHW-OAHLLOKOSA-N 360.462 2.536 0 3 FFAF CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1 28604356 SEGPGDHIBPENAA-HXUWFJFHSA-N 368.477 2.760 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)OC(C)=O 2356737844 VURLZBDQVPJJTL-YSIASYRMSA-N 354.450 2.957 0 1 FFAF CCC[C@@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149295413 PCABGJMPWSJFMR-XJKSGUPXSA-N 367.243 2.567 0 1 FFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@]12C(=O)N(C)c1ccccc12 473151277 OZJMVZCRAHHWJU-HMFYCAOWSA-N 363.413 2.901 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCN(C)CC2)N1 587764963 HRTHMLLLEBATTM-YVEFUNNKSA-N 370.310 2.585 0 1 FFAF N=c1[nH]cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 586985202 SHXZUUUYLWRVGM-ZDUSSCGKSA-N 373.258 2.665 0 1 FFAF CCn1nc(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275944 HNTAXJFYSNEGNB-UHFFFAOYSA-N 364.199 2.838 0 1 FFAF CCOC(=O)C1=CN(C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518245 DGYROEUSCKZUSE-NRFANRHFSA-N 369.417 2.579 0 1 FFAF Cc1nnc2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn12 587661991 VUCNIDPWRNMSHD-UHFFFAOYSA-N 372.363 2.938 0 1 FFAF CC1=C(C(=O)NCc2ccc3c(c2)OCO3)C2(CCC(C)CC2)OC1=O 5058737 JNZLDHSGRPNJKT-UHFFFAOYSA-N 357.406 2.854 0 3 FFAF O=C([C@@H]1CSCN1C(=O)C[C@H]1CCc2sccc2C1)N1CCCC1 13737615 ABFUMNXGFNTJGI-ZFWWWQNUSA-N 364.536 2.767 0 1 FFAF CCn1cc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)ccc1=O 14947693 QUYVQBJDAOEGJA-DCPHZVHLSA-N 371.456 2.536 0 1 FFAF CC1(C)[C@@H]2CC[C@@]1([C@@H](O)CN1CCN(c3ccccc3F)CC1)C(=O)C2 169333721 POSYEVBLZTVDNW-JJXUHFIVSA-N 360.473 2.704 0 1 FFAF O=C(N[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166376218 LLQUKFWPZYSIED-KRWDZBQOSA-N 366.421 2.538 0 1 FFAF COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NC(=O)N(CCC2)C1=O 1857655383 IMQYJJZUHIPOIY-INIZCTEOSA-N 352.390 2.897 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1C[C@H](O)[C@H](O)C2(C)C 2356401388 BUMAUDJEGAOISB-NRCWBNPGSA-N 354.487 2.733 0 1 FFAF COCCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O 8672436 IJDPHDWYADQGGB-UHFFFAOYSA-N 364.423 2.658 0 3 FFAF CC[C@@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28114074 CQSXDXGZMHUYRJ-DYVFJYSZSA-N 357.458 2.853 0 1 FFAF CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H](O)C=C[C@@H]1C 2356808792 AKEHVDXXBSMJCT-CMOAEGJWSA-N 354.487 2.740 0 1 FFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@@H]1O 2356817901 DOOTWSIZSJRCPQ-KMKVPDCWSA-N 363.527 2.523 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC=C[C@@H]5NC4=C3C[C@@H]12 2356843785 NPGZYYULZQXTPH-ANRZDRKOSA-N 350.418 2.533 0 1 FFAF CCCn1c(=O)c2[nH]c(-c3ccc(O)c(Cl)c3)nc2n(CCC)c1=O 29320662 XHOSKHTUCUYCEV-UHFFFAOYSA-N 362.817 2.732 0 1 FFAF CCOc1ccc2/c(=N/NS(=O)(=O)c3ccccc3)cc(C)[nH]c2c1 71405062 IRDSKKMPRKTECO-UHFFFAOYSA-N 357.435 2.669 0 1 FFAF Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@H]1CC[C@@H](C2)N1 82154292 XGOQVTSRPAIGHL-BLLLJJGKSA-N 353.447 2.755 0 1 FFAF C[C@@H](/C=C/C(=O)O)[C@@H](O)[C@@H](C)C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1 142391551 JELLOIMREUHSKD-KLWFBOSMSA-N 363.454 2.503 0 1 FFAF CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@@H]32)nc2ccccc21 618014466 QQSOZAOOQPVZMP-WOSRLPQWSA-N 369.469 2.539 0 1 FFAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(C)c2)cc1 473110071 USXQJHBRNTVTOH-LJQANCHMSA-N 356.422 2.555 0 1 FFAF O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 653680468 PQOKBQCVPUXWDC-KNCOVGOOSA-N 368.481 2.902 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccnc2)N1 587776958 ZIJXSTZYYKQZDE-ABKXIKBNSA-N 365.202 2.846 0 1 FFAF CCOc1ccc(OCC)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587778836 VFTASIVZPDSECW-UHFFFAOYSA-N 361.423 2.675 0 1 FFAF COc1cc2c3c(c1)O[C@@](Cc1c[nH]c4ccccc14)(C(=O)O)[C@@H](C2)C3=O 587438675 PRNUQFWBIQIRLU-YCRPNKLZSA-N 363.369 2.990 0 1 FFAF CC[C@@H]1CNC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799806 YUNUBYZPVXOPIJ-RDGWCUKFSA-N 355.251 2.864 0 1 FFAF Cc1c(CC2CCCCC2)n(COCc2ccccc2)c(=O)n(O)c1=O 1772597546 RRMFVOFPIBITFF-UHFFFAOYSA-N 358.438 2.853 0 1 FFAF N[C@@](CCc1cccc(Oc2ccccc2)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777430 ACBVMQKDQFEJCE-ABSDTBQOSA-N 355.390 2.914 0 1 FFAF CCO[C@@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166997159 QGCIVRRUTFZFNW-AWEZNQCLSA-N 368.437 2.784 0 1 FFAF CO[C@H](CO)CCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@H]2C(C)(C)O)cc1 2356353123 IORUILAZBKZNSR-BURNTYAHSA-N 362.510 2.883 0 1 FFAF CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN(C)Cc1ccccc1 2356300311 ITQUMIWWTNAOLC-VAMGGRTRSA-N 358.530 2.536 0 1 FFAF O=S(=O)(Nc1ccccc1)N[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 27422128 FAVYPKCASJVIRM-MJGOQNOKSA-N 357.479 2.695 0 1 FFAF Cn1c(=O)c2cc(NC(=S)NC3CC3)ccc2n1Cc1ccccc1 61897694 DNQGJCRBPJSIJB-UHFFFAOYSA-N 352.463 2.837 0 3 FFAF Cc1ccc([C@H]2CNC(=O)N2S(=O)(=O)c2ccc3c(c2)CCC3)cc1 26575173 GGYDXLJVHBAXNS-GOSISDBHSA-N 356.447 2.939 0 1 FFAF O=C1CCc2cc(OCCCCc3nnnn3-c3ccccc3)ccc2N1 27633042 PVVQFXDRYGHGFJ-UHFFFAOYSA-N 363.421 2.949 0 1 FFAF in-vivo COCC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1 27740294 MSMFWZBQIXVMFV-UHFFFAOYSA-N 353.466 2.768 0 1 FFAF Cc1ccc2nc(C[C@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356648449 ASSKEBJNTODDTF-CABCVRRESA-N 367.453 2.750 0 1 FFAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc1 73196844 JMXMMVWAHHSVJL-HNNXBMFYSA-N 367.357 2.801 0 1 FFAF Cc1cc(C)c(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1C 72111290 ZNJVRJREXLAAPI-UHFFFAOYSA-N 360.435 2.909 0 1 FFAF COc1ccc2c(c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)CN1C 14931242 HJDHOTUYSIOWTP-UONOGXRCSA-N 355.390 2.676 0 1 FFAF biogenic Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CN(C)C 72318834 GCSXBZJXNQEADW-ZSOIEALJSA-N 356.401 2.763 0 1 FFAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1 221616594 FLKBCMZWAVANDI-UHFFFAOYSA-N 364.424 2.545 0 1 FFAF COc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)ccc1-c1cn[nH]c1 221711862 KIEIVVQNVJKJFB-DJJJIMSYSA-N 351.406 2.937 0 1 FFAF C/C=C1/CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 257529106 RCEFXZXHYFOPIE-ZUVPVHLGSA-N 352.434 2.567 0 1 FFAF Cc1noc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 261147255 OCCFWRRDRBBZBE-FMGDLQRFSA-N 366.393 2.691 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3cc(O)ccc23)[C@@H]1c1c[nH]c2cc(O)ccc12 101113113 MDOQJLLAKJRIGD-ROUUACIJSA-N 361.357 2.584 0 1 FFAF biogenic N=c1[nH]c2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2c(Cl)[nH]1 587079007 FHOHDNKSXMKSHM-VIFPVBQESA-N 362.224 2.748 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](Cn1cncn1)(c1ccc(F)cc1F)NCC2 962918220 NQLVDJHUBVIPQZ-LJQANCHMSA-N 372.423 2.503 0 1 FFAF COc1ccc2c([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(O)[nH]c2c1 962930092 KEVZEURPQPJRDS-LJQANCHMSA-N 365.433 2.819 0 1 FFAF CC1=CC(=O)N(Nc2ncc(-c3nc(C)co3)c(-c3cccs3)n2)C1=O 13818225 IIFLYTHHIYOWCQ-UHFFFAOYSA-N 367.390 2.811 0 1 FFAF COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CCN(C)C[C@@H]32)cc(OC)c1OC 169341322 WKIBVCUQGIAFNQ-VNQPRFMTSA-N 363.454 2.990 0 1 FFAF CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)O)cc3)n2)CC1 201771429 SQABGXWUIUYSJK-UHFFFAOYSA-N 360.435 2.867 0 1 FFAF COc1ccc([C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857632936 NBYIZSXXIVKRNP-GOSISDBHSA-N 373.449 2.813 0 1 FFAF O=c1nc(C(F)(F)F)ccn1C[C@@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742848 OCIXRDJANHBWSZ-DLUDVSRJSA-N 360.339 2.695 0 1 FFAF CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C(=O)OC)C(C)C 3895993 BIODKAMHLHVLIO-QTPCEWDRSA-N 368.518 2.657 0 1 FFAF COC(=O)NC(=O)N[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 6379365 ODHFFXDSSPLSPN-INIZCTEOSA-N 371.393 2.547 0 1 FFAF COC[C@H]1CC[C@H]2C1=C[C@@]1(C)C(=C(C(C)C)C[C@H]1O)[C@H](O)[C@H](O)[C@@H]2C 103541557 YZZBBYUVOSVRJT-JMLVKTCGSA-N 350.499 2.680 0 1 FFAF in-vitro COc1cc(O[C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356286293 IABRXERCCIPDNL-ILWKUFEGSA-N 374.389 2.854 0 1 FFAF Cc1nc(C(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)c(C)o1 26579261 IXPYYRJTCQCPAL-AUWJEWJLSA-N 358.375 2.877 0 1 FFAF NC(=O)c1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O 27311461 CXLUJABNBRGRAX-UHFFFAOYSA-N 357.369 2.857 0 1 FFAF CCCCC(CCCC)C(=O)N[C@H]1Cc2ccc(S(N)(=O)=O)cc2C1 28376534 PZMNZELZNFVQAV-KRWDZBQOSA-N 366.527 2.914 0 1 FFAF O=C(CCO[N+](=O)[O-])NCCCNc1c2c(nc3ccccc13)CCCC2 29136123 WULXLMMPBPDQLA-UHFFFAOYSA-N 372.425 2.630 0 1 FFAF c1ccc(CN2C[C@H]3COCCN3C3(C2)CN(C2CCCCC2)C3)cc1 2356611354 TZHAGWJDUTYRSO-NRFANRHFSA-N 355.526 2.590 0 1 FFAF CC1=C(C(=O)N2CCN(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O 20279362 NDHNWOTXKIZFQQ-UHFFFAOYSA-N 368.477 2.907 0 1 FFAF COc1ccc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@@H]32)OCO4)cc1OC 26851862 REJMVOGSTMMWHW-ZNOIYHFQSA-N 369.373 2.532 0 1 FFAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 74387704 YBABWYQTIZRZFP-UHFFFAOYSA-N 372.425 2.516 0 3 FFAF Cn1cnc2c(NCCCO)nc(-c3cccc(C(F)(F)F)c3)nc21 49049688 AYTQUUQISQAOLQ-UHFFFAOYSA-N 351.332 2.843 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C)N2 82207268 DPYXQPWVIBRIIN-CYBMUJFWSA-N 374.460 2.860 0 1 FFAF Cn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc2ccccc21 40918907 QBFQPNKMCIYALB-UHFFFAOYSA-N 352.413 2.670 0 1 FFAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2)O3)O1 199751860 VUCDJMGYWZLBKX-RBUKOAKNSA-N 354.358 2.959 0 1 FFAF CCCCOCCOC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C 82070369 WDWGVOOYSJPTMD-OAHLLOKOSA-N 356.488 2.820 0 1 FFAF C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@@H]1C[C@H]23)Nc1c(OC)cccc14 238748864 VEAKGMSEYPLAQM-IPCFGMEFSA-N 352.434 2.840 0 1 FFAF Cc1nccc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 586929070 QTNJCIKBPWDLTN-UHFFFAOYSA-N 350.831 2.740 0 1 FFAF C[C@H]1C(=O)[C@@]2(C=CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587763391 YHYWLFHMBSOSRO-LSYCYVAJSA-N 353.235 2.734 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1N)[C@@H](C2)C3=O 587417084 IHZYCJFQZLYOOA-QFYYESIMSA-N 361.195 2.924 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cccnc1 587585473 DZKZEEMJGGSTFW-JXFKEZNVSA-N 363.325 2.729 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1 587228417 LIIWOHJEFGYBGW-UHFFFAOYSA-N 368.393 2.554 0 1 FFAF COc1cc2c(cc1OC)[C@](C)(c1cnc(S)nc1O)N(C)[C@@H](C)C2 962568110 KXJNZIIYQVPHHP-XTZNXHDOSA-N 361.467 2.628 0 1 FFAF COc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OC 963465393 CFIWWZKCYCLLSQ-XOBRGWDASA-N 357.406 2.580 0 1 FFAF COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O 13473211 LENMNEQXCQXJHV-UHFFFAOYSA-N 350.374 2.910 0 1 FFAF in-vitro CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]21C 15057720 ZAWXJKKWWNOWDR-YIDLRUKWSA-N 350.411 2.548 0 1 FFAF biogenic O=C(Cc1ccccn1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168537485 JOJPXUNLPMZOJD-UHFFFAOYSA-N 374.444 2.816 0 1 FFAF CN1O[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1F 205221721 RRUGHWQTTOMWIH-LJQANCHMSA-N 371.368 2.923 0 3 FFAF COc1ccc(-n2c(N(C)CCN(C)C)nc3cc(F)ccc3c2=O)cc1 1857621496 PXEITOSPVNIWIW-UHFFFAOYSA-N 370.428 2.531 0 1 FFAF CCCCN(CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21 2497648 QKDPJAWNPPAUAP-UHFFFAOYSA-N 358.438 2.900 0 1 FFAF CC[C@]12c3c4c5ccccc5n3[C@@](O)(C(=O)OC)C[C@H]1CCCN2CC4 2356382080 MCUPLASQAWQHIW-IFZYUDKTSA-N 354.450 2.737 0 1 FFAF O=C1CC(=O)N(CCc2cccs2)C(=O)N1CCc1ccc(F)cc1 102826998 DOBTXRUBJKHWSH-UHFFFAOYSA-N 360.410 2.853 0 1 FFAF CP(C)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O 27526295 FBFMXBUTNKADME-VDHUWJSZSA-N 372.398 2.539 0 1 FFAF N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@@H](C(=N)N)C4)cc2)cc1 27193825 AUDUAIQWVZGFHX-QGZVFWFLSA-N 358.449 3.000 0 1 FFAF CO[C@H]1C[C@H]2C(=O)Nc3ccc(C=Cc4ccc(O)cc4)cc3C(=O)N2C1 2356866315 WETZAQFCPOZUGP-LPHOPBHVSA-N 364.401 2.744 0 1 FFAF C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)o1 66167109 YNZXJWLPHUWXGE-LLVKDONJSA-N 353.334 2.871 0 1 FFAF CNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1c1ccc(OC)cc1 61923625 HNNCMSKTTYGVLW-WOJBJXKFSA-N 366.461 2.616 0 3 FFAF O=S1(=O)c2ccc(Br)cc2N2CCC[C@H]2CN1C1CC1 72141247 ZFFYJHMAJDTABM-LBPRGKRZSA-N 357.273 2.585 0 1 FFAF CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(OC)c1OC 34343052 MPKKCEUANNGJTC-NSHDSACASA-N 356.850 2.580 0 1 FFAF COc1cc(OC)c2c(c1)[C@@H](Cc1cc(OC)c3c(c1)OCO3)OC2=O 15117891 KKJXWSDUHIOQNM-CYBMUJFWSA-N 358.346 2.895 0 1 FFAF biogenic CCCCN1N=C(C(=O)c2cc(Cl)ccc2N)C[C@H]1C(=O)OCC 40897891 UUNLDULTKAVWAY-HNNXBMFYSA-N 351.834 2.898 0 1 FFAF COCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 49125287 PWDJIHNBTXFIDJ-UHFFFAOYSA-N 366.421 2.878 0 1 FFAF COC(=O)C[C@]12C=CCN3CC[C@@H]4c5ccc(OC)cc5N[C@@]4(CC1)[C@@H]32 238747036 IBDNXNZBNIECNB-MBPVOVBZSA-N 354.450 2.931 0 1 FFAF C[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343363 KGPGICRCVYRGFW-TZIWHRDSSA-N 371.408 2.981 0 1 FFAF O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586887532 FPMOGWDZIYZUSO-RXMQYKEDSA-N 367.121 2.722 0 1 FFAF COc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C(F)(F)F)c1 587098019 OONGDSPOPCLCRG-UHFFFAOYSA-N 371.340 2.905 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)[C@H]3C(=O)O 587206047 GQXRYTFSHAUQNA-YVEFUNNKSA-N 359.337 2.871 0 1 FFAF CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 587951884 JJVYHAQTZNRVRX-PNESKVBLSA-N 359.426 2.972 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCN1C(=O)c3ccccc3C1=O)O2 587392693 VVJCLMVXCAIQRE-ZDUSSCGKSA-N 364.401 2.987 0 1 FFAF CN(C)S(=O)(=O)c1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587089641 FNBYXWIPWUPIKE-SNVBAGLBSA-N 359.732 2.737 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O 587427112 GUCRCQYSMYXKHB-BBEJJTJUSA-N 363.385 2.770 0 1 FFAF COc1cccc(-c2cc(O)cc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 587932576 GPPOXMQSQPOINY-UHFFFAOYSA-N 350.334 2.812 0 1 FFAF CCOC(=O)c1ccc(CCc2nc3cccc4c3n2CCNC4=O)cc1 13858440 KQDWABVCWKXSHQ-UHFFFAOYSA-N 363.417 2.742 0 1 FFAF Cc1nc2cccc(F)c2c(N)c1CN[C@@]1(C(F)(F)F)CCC(=O)O1 13864113 DRLCNGLKENUIFI-HNNXBMFYSA-N 357.307 2.950 0 1 FFAF COc1ccc2c(c1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14931248 RUNAFDLOXRYAAQ-ROUUACIJSA-N 355.390 2.676 0 1 FFAF biogenic COc1ccc(-c2[nH]c(=N)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1O 1857558643 RZJMXHJALQBGHR-UHFFFAOYSA-N 371.393 2.896 0 1 FFAF CN(C)CC(=O)NCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857591414 IEHHBEXRRANXMI-OUKQBFOZSA-N 374.488 2.917 0 1 FFAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356429642 COVZJTJPORVSID-WMLDXEAASA-N 374.391 2.845 0 1 FFAF CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224192 DUNOZWJTXYEGAT-SZVBFZGTSA-N 361.873 2.889 0 1 FFAF CC(=O)NCn1cc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c(=O)o1 28524741 SMAOGTCCLSRSDI-UHFFFAOYSA-N 352.346 2.567 0 1 FFAF CCOC(=O)c1ccc(CNc2ccc3nc(N)nc(N)c3c2C)cc1 27654845 PDIOIVDRJWCBMY-UHFFFAOYSA-N 351.410 2.891 0 1 FFAF Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3onc(C)c3C(=O)O)c2)no1 2356299208 BSLMNNXDCASRBY-VIFPVBQESA-N 371.353 2.922 0 1 FFAF C=Cc1c(C)cc(O)c2c1[C@H](O)[C@H](O)[C@H]1[C@@]23C[C@@H]3CC[C@@]1(C)C(=O)OC 2356669098 MQEUTRGOTKQOBL-GBXARXTBSA-N 358.434 2.599 0 1 FFAF COc1cc(C2=NN[C@@H](c3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC 28456889 HHWSIWOGHFEINN-RDJZCZTQSA-N 362.813 2.775 0 1 FFAF NC(=O)[C@]1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1 73222541 VIXIHNMGNDQBFH-IBGZPJMESA-N 374.824 2.816 0 1 FFAF O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 72119916 NLCTZNYPPMDNHU-UHFFFAOYSA-N 353.871 2.786 0 1 FFAF CO[C@@H]1CO[C@@H](Oc2cc(C)c3c(c2)/C(=C/Cl)CCN3)[C@H](OC)[C@H]1O 138508910 YDKCHRURWAZULR-KECAABKUSA-N 369.845 2.516 0 1 FFAF COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3C(=O)c2ccccc2)cc1 40894306 SALSUQFUZCTTOY-AZUAARDMSA-N 364.445 2.753 0 1 FFAF CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)(C)C)c2ccccc21 43120047 IZHREGYJHUWQHR-MOPGFXCFSA-N 353.466 2.728 0 1 FFAF CN(CCO)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cn1 96270026 FDJMFDVXCYLTLY-UHFFFAOYSA-N 369.343 2.546 0 1 FFAF CC(C)=C[C@H]1c2[nH]c3cc(O)ccc3c2C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N12 238767624 BLBXRRKAPHRFGY-OKZBNKHCSA-N 365.433 2.639 0 1 FFAF CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(O)n(-c2ccccc2)n1 618020067 YOXAKBLAHIRNFE-UHFFFAOYSA-N 365.437 2.842 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(F)(F)F)c2[nH]1 587202076 BQPBZGJWJKRCND-NSHDSACASA-N 356.348 2.661 0 1 FFAF Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)nn(C)c2n1 587652435 DSNSFYOGICCWBT-UHFFFAOYSA-N 367.796 2.637 0 1 FFAF COC(=O)c1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cn1 586917582 SYOYGPKHQHYWOW-ZUOKHONESA-N 365.389 2.961 0 1 FFAF CC(C)Oc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 586928757 JQUZOOMIFMBCSY-UHFFFAOYSA-N 360.439 2.566 0 1 FFAF COC(=O)c1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cn1 587787671 QEQSKLWAEBHDRQ-UHFFFAOYSA-N 353.378 2.877 0 1 FFAF CC(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767765 KRNHRLGDIIBWLY-JTQLQIEISA-N 355.251 2.960 0 1 FFAF COCCN1CCC[C@@]2(CCN(Cc3ccc(Cn4cccn4)cc3)C2)C1 12704621 PXXFTQXTESKDJX-JOCHJYFZSA-N 368.525 2.866 0 1 FFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CC[C@@H](C3)N4C)cc21 13650306 HQUQHIFQRKPXQT-OLZOCXBDSA-N 373.428 2.532 0 1 FFAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1 13761833 VFPHVBJYKBFMQF-UHFFFAOYSA-N 368.340 2.601 0 1 FFAF COC(=O)c1cccc(C(C)C)c1CCCn1cnc2c1NC=NC[C@@H]2O 13807708 RHDPBOUWWSXIQJ-KRWDZBQOSA-N 370.453 2.913 0 1 FFAF COc1ccc2c(c1CC=C(C)C)O[C@]1(O)c3ccc(O)cc3OC[C@]21O 2356356863 FBYJHWOGIRRKPJ-LEWJYISDSA-N 370.401 2.727 0 1 FFAF CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc[nH]cc-2n1 101793040 QAIKOSZVENETHF-UHFFFAOYSA-N 356.407 2.817 0 1 FFAF C/C=C1\CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 103227600 HSXBTRCQXBSTBV-XBPOLAHKSA-N 374.440 2.745 0 1 FFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O 27756573 UPFMWWOGIXICKQ-NSHGMRRFSA-N 371.525 2.772 0 1 FFAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NC2CCCCC2)nn1 2356319772 FHIJKNWWQFBSTL-KBAYOESNSA-N 373.545 2.735 0 1 FFAF C[C@H]1NC(=O)[C@@]2(C)[C@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O 61949434 GMTJRWMLUIEDSJ-NJELBSRJSA-N 362.429 2.639 0 3 FFAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 61896296 YZNBIMBJYFTFOM-OAHLLOKOSA-N 358.438 2.746 0 3 FFAF COc1ccc2c(c1CC(=O)C(C)C)O[C@@H]1c3ccc(O)cc3OC[C@]21O 15203502 AFOCANOUHLXZSA-RTWAWAEBSA-N 370.401 2.882 0 1 FFAF biogenic COc1cc([C@@H]2Oc3c(OC)cc(C(C)=O)cc3[C@H]2CO)cc(OC)c1O 13305870 UKUDCHLJBHCTLX-KUHUBIRLSA-N 374.389 2.830 0 1 FFAF biogenic COc1cc(NCc2ccncc2)c(C(=O)Nc2ncccn2)cc1OC 40568391 HYNLCIYRHGTVCN-UHFFFAOYSA-N 365.393 2.753 0 1 FFAF O=C1C[C@@H](c2ccccc2)CCN1C[C@@H](O)CN1CCc2ccccc2C1 224303517 JGLKMORHYGTOQD-UNMCSNQZSA-N 364.489 2.812 0 1 FFAF COn1c(C=O)c(C(=O)OCc2ccccc2)c(=O)c2cc(Cl)ccc21 84603163 FTHLTRBCQQPFJC-UHFFFAOYSA-N 371.776 2.883 0 1 FFAF COc1ccc(-n2cnc3c(sc4ncnc(N(C)C)c43)c2=O)cc1F 95564367 WYDLCVBEYNEXAH-UHFFFAOYSA-N 371.397 2.604 0 1 FFAF Cc1cccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c1 299831640 FFVBSPOBGCMQIG-UHFFFAOYSA-N 374.400 2.673 0 1 FFAF CCOC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792165 ARKWQCBIZCMAQX-JDNHERCYSA-N 372.234 2.860 0 1 FFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(=N)N)cc3[nH]2)C(F)(F)C1 587132294 PNBQXXVGVRGARB-SNVBAGLBSA-N 365.384 2.817 0 1 FFAF CN(C)CCOc1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 587566198 ACVOCGVIVZRDFM-UHFFFAOYSA-N 353.422 2.937 0 1 FFAF CCOC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 587230118 FKPJOTJFDWTZKO-HUUCEWRRSA-N 373.453 2.776 0 1 FFAF CCOc1ccccc1[C@@](N)(c1nc2cc[nH]c(=N)c2[nH]1)C(F)(F)F 587093636 WQESWUDECKHMOQ-OAHLLOKOSA-N 351.332 2.534 0 1 FFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C(F)F)CC2=O 587463988 FRCJWFTVTDMMJW-SFHVURJKSA-N 370.348 2.836 0 1 FFAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CCC2=O)cc1 13642963 IEUMPFLMUSKQOD-LLVKDONJSA-N 352.394 2.683 0 1 FFAF C[C@](O)(C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)C(F)(F)F 13760127 NQDBFDSOHOVHQU-HNNXBMFYSA-N 373.352 2.771 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 14972116 IACFKHAQKGTVTR-GWVZFCQUSA-N 350.455 2.791 0 1 FFAF COc1ccc(-c2cc(Cc3c(N)[nH][nH]c3=O)n(-c3ccccc3)n2)cc1 169699064 ZHQXFKASKCZXCN-UHFFFAOYSA-N 361.405 2.737 0 1 FFAF CC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201109825 ZODXTERUIKRCKD-LYLBAIIYSA-N 370.493 2.702 0 1 FFAF Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1 1857580624 WXWGMGGZYQMKPI-UHFFFAOYSA-N 350.378 2.731 0 1 FFAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 1656448 OHRKKMFZDUDWQZ-IKGGRYGDSA-N 369.465 2.686 0 1 FFAF COc1cc2c(cc1O)CCN(C(=O)[C@H]1COc3ccccc3O1)[C@H]2C 2458861 VCQCNRVHNYNRHN-HXPMCKFVSA-N 355.390 2.687 0 1 FFAF C[C@H]1CCC[C@H](NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)[C@@H]1C 4836430 HOLIECHQXGXZCZ-CZXWYKSASA-N 359.422 2.913 0 1 FFAF CCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 27213191 MFEPLQRCNZKDLZ-AWEZNQCLSA-N 354.834 2.610 0 1 FFAF CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862211 FTYFZKOXBSFMGS-AWEZNQCLSA-N 359.426 2.885 0 1 FFAF COCCCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 20512201 LKMGDADYPDTTII-UHFFFAOYSA-N 371.462 2.736 0 1 FFAF C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)o1 66167108 YNZXJWLPHUWXGE-NSHDSACASA-N 353.334 2.871 0 1 FFAF O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@@H]1C(=O)c1ccccc1 110929169 YCEIAWVKMIIBCY-RTBURBONSA-N 371.396 2.628 0 1 FFAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356692038 GYJUTLDMALIXFI-LZLYRXPVSA-N 370.559 2.839 0 1 FFAF O=C1NCCn2cc(-c3cccc4ccc(C(=O)N5CCCC5)nc34)cc21 222408799 IHVJDVIOIOGZEZ-UHFFFAOYSA-N 360.417 2.683 0 1 FFAF COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)ncn23)CC1 43066828 KOFYUIUZURNMRL-UHFFFAOYSA-N 351.454 2.677 0 1 FFAF CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1 84758313 FDFNBRWULOMEEQ-ZDUSSCGKSA-N 373.888 2.768 0 1 FFAF CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(Cl)cc2)CC1=O 299852802 XQPNPMJETHNYKD-MRXNPFEDSA-N 366.889 2.812 0 1 FFAF Cc1cc2nc(SCC(=O)NC(C)C)n(Cc3ccco3)c(O)c-2n1 299850712 IVZKFROKMNSOSH-UHFFFAOYSA-N 360.439 2.655 0 1 FFAF O=C(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1cscn1 587027350 BJBRRPIPDMZZDA-UHFFFAOYSA-N 372.635 2.760 0 1 FFAF COC(=O)Cc1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587445075 WLEZLKCKEXNQQM-JLTOFOAXSA-N 354.358 2.605 0 1 FFAF NS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036929 PMTYQAHXNWXLLN-CYBMUJFWSA-N 351.478 2.651 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O 587440349 GLUCOEOZBCLFPU-YWZLYKJASA-N 354.358 2.821 0 1 FFAF CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 587216675 JBLKSNNZBBKNCU-MRXNPFEDSA-N 373.434 2.538 0 1 FFAF O=C1Nc2ccc(Cl)c(Cl)c2[C@@]12NCCc1nc3ccccn3c12 962986779 KMUJRTKEQQOUKR-KRWDZBQOSA-N 359.216 2.983 0 1 FFAF COc1cc(-c2nc(C)cnc2C)cc2c1OCCN(C(=O)C1CC1)C2 12511148 OLKQWVHLKJRMMX-UHFFFAOYSA-N 353.422 2.900 0 1 FFAF COc1ccc(OCCCCCCC(=O)O)cc1Cc1cnc(N)nc1N 13471959 CHCXLVNXKKMMBE-UHFFFAOYSA-N 374.441 2.654 0 1 FFAF CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=C3)n(Cc2ccccc2)c1=O 13648047 VDRIWCZLIFRTAN-AWEZNQCLSA-N 350.422 2.796 0 1 FFAF C[C@H]1CCCN1C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168539862 QWUPCDKDSHOSGP-AWEZNQCLSA-N 351.450 2.864 0 1 FFAF COc1ccc(N=c2[nH]c(N3C[C@H](C)N[C@H](C)C3)ncc2F)cc1Cl 1857548005 BPWKTWGLXFWEGW-PHIMTYICSA-N 365.840 2.630 0 1 FFAF Cn1ncc2c(=O)n(-c3ccncc3)c(SCc3cccc(F)c3)nc21 1857753368 LVJMHZUKUJUCIF-UHFFFAOYSA-N 367.409 2.946 0 1 FFAF Cc1ccc2cc(C(=O)N3CCN(CCOc4cccnc4)CC3)[nH]c2c1 205942899 ZAVNMUPCFJDCTL-UHFFFAOYSA-N 364.449 2.708 0 1 FFAF CC(C)CCC[C@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356360434 GCJJPODJRMDCOL-PXNSSMCTSA-N 362.422 2.872 0 1 FFAF COCCNC(=O)[C@]1(C)C=CC2(CCCCC2)N1C(=O)c1ccccc1 7992803 MEMMYZDKVHBYKY-FQEVSTJZSA-N 356.466 2.923 0 3 FFAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)n1 2356301390 AGNXAGBKPIGIHG-YOEHRIQHSA-N 356.401 2.706 0 1 FFAF COCCc1c(C)n(C(=O)N2CCC(c3cccc(F)c3)CC2)oc1=O 26846343 QSQAUXAPFAEVSV-UHFFFAOYSA-N 362.401 2.925 0 1 FFAF C=C=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356672394 IBSJROLODHILHS-LMMKCTJWSA-N 352.434 2.580 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@H]21 34172518 KRFXWKURJSADKH-CYDCGANESA-N 350.455 2.551 0 1 FFAF CC(C)N1CCCC[C@H](NC(=O)c2ccc(Br)cc2)C1=O 199718884 QOOPGRZGFRPRAM-AWEZNQCLSA-N 353.260 2.968 0 3 FFAF COc1ccc(-n2nnnc2[C@]2(C)CCC(=O)N2Cc2ccccc2)cc1 199242796 NOXSXKBAOWBNLV-FQEVSTJZSA-N 363.421 2.709 0 3 FFAF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)o1 82162929 ZTVWUIOTWUITRE-OAHLLOKOSA-N 363.421 2.809 0 1 FFAF CC[C@@H]1CN(C(=O)N2CCOCC2)CC[C@@H]1CC(=O)Nc1ccccc1 25429406 FKQFPVOKUSWUKU-IAGOWNOFSA-N 359.470 2.816 0 1 FFAF biogenic CC(=O)N(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O 587744397 ZNNKALZBCOPMCP-JDNHERCYSA-N 371.250 2.733 0 1 FFAF CCS(=O)(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606002 FOVZEPATWUYCAT-MAUKXSAKSA-N 362.403 2.547 0 1 FFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(ccc4ncccc43)[nH]2)c1 586936557 SAKNOTAKMHMUIE-UHFFFAOYSA-N 355.423 2.793 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCN(C)CC1)[C@@H](C2)C3=O 587445025 TZRKBISCDOGDAV-JTSKRJEESA-N 364.445 2.936 0 1 FFAF O=C(O)Cc1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587958630 CGLOKMDFQVBTJX-UHFFFAOYSA-N 365.433 2.613 0 1 FFAF O=C(O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008691 NEVSQNJJUXYYAC-UHFFFAOYSA-N 358.155 2.733 0 1 FFAF O=C(c1ncccc1Br)n1ncc2ccc(Cl)cc2c1=O 587650914 HKYAWXPARFDYGJ-UHFFFAOYSA-N 364.586 2.896 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)O2 587398115 BXQAXZLLQVBKDB-BTYIYWSLSA-N 350.418 2.803 0 1 FFAF CC(=O)[C@@H](C)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963468820 IWQMMQGFNOIXBI-LZHZSBQWSA-N 353.418 2.768 0 1 FFAF Cc1n[nH]cc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138382 HRWCBIPURLUOIT-NWDGAFQWSA-N 364.427 2.510 0 1 FFAF CC[C@]1(CC(=O)c2cccnc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963525453 MMGXYXYHKCFXHY-OXJNMPFZSA-N 354.406 2.573 0 1 FFAF CN(C)CC1CCN([C@H]2CCC[C@]3(C2)NCCc2ccc(O)cc23)CC1 963341628 NTSTZFUBTYVQOD-SIKLNZKXSA-N 357.542 2.949 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cc1 13538595 PXDJFHKHAHQLSC-UHFFFAOYSA-N 370.434 2.950 0 1 FFAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccncc4)c3)c2c1 164784690 ZUPOLEGUKSVGCR-UHFFFAOYSA-N 371.400 2.905 0 1 FFAF COc1ccc2c(c1)C(=O)[C@H]1CCC(=O)N1[C@@H]2c1ccc2c(c1)OCO2 1645032 ANZVNOLRPPUMRK-DNVCBOLYSA-N 351.358 2.701 0 1 FFAF COc1cccc(CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)c1 6771871 JZLFYDSCEWDILX-UHFFFAOYSA-N 361.401 2.958 0 1 FFAF CC[C@H](C)N(CCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccco1 6841822 CXSNJFPEMZTYOC-AWEZNQCLSA-N 369.425 2.755 0 1 FFAF Nc1ccccc1NC(=O)CCCCNC(=O)c1ccc2c(c1)OCCO2 117586174 AWURYMAKFUSJGX-UHFFFAOYSA-N 369.421 2.579 0 1 FFAF NC(=O)CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28020131 WLUBUOCSDSVUKG-ICSRJNTNSA-N 371.431 2.644 0 1 FFAF CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1Cl 102598304 JJAZVAUVGJZMJE-UHFFFAOYSA-N 353.831 2.743 0 3 FFAF O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2n[nH]cc21 28948402 IOHGCEFLIGUPNB-CYBMUJFWSA-N 355.413 2.889 0 1 FFAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@@]21C 2356575654 VTJBUEPNESMAHX-FTPYHIFWSA-N 364.482 2.699 0 1 FFAF COC(=O)C1=CC(O)=C[C@H]2Oc3c(Cl)c(C)cc(OC)c3C(=O)[C@@H]12 2356785330 ABJKRTDKXKNJPX-NEPJUHHUSA-N 350.754 2.772 0 1 FFAF CC(C)c1csc(-c2nnc(S)n2NC(=O)c2ccc(O)cc2)n1 64453855 MJPPKRGXMDHRDH-UHFFFAOYSA-N 361.452 2.903 0 1 FFAF Nc1cc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)ccn1 73129476 MOZROMRMFAGZKC-UHFFFAOYSA-N 371.448 2.679 0 1 FFAF CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1 1911582170 KBAHWLBOZCNRIT-CQSZACIVSA-N 355.467 2.789 0 1 FFAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)C[C@H]3O 14559018 IBXMDNCFGSBKCQ-QWHCGFSZSA-N 357.406 2.661 0 1 FFAF biogenic COc1cc2c(c3c1OCO3)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14639607 PYSVDDOJZYIZTD-CYBMUJFWSA-N 353.374 2.905 0 1 FFAF biogenic COCCN1C(=O)COCc2cc(-c3cccc(NC(C)=O)c3)ccc21 74374912 BZPQEXBHHCINND-UHFFFAOYSA-N 354.406 2.822 0 3 FFAF NC(=O)c1c(F)ccc(OCc2nc3cc(C(=O)O)ccc3s2)c1F 49115193 ZXZIYUKDUMKXGN-UHFFFAOYSA-N 364.329 2.951 0 1 FFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)C(=O)C2CC2)cc1 95895499 FCQGTBRXXRMODJ-JMMOYNIWSA-N 370.493 2.653 0 1 FFAF C[C@H]1C[C@@H](C)C[C@@H](O)[C@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 254076653 JPYMPXICULCYPW-JEQIKSLISA-N 359.466 2.750 0 1 FFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1OC 587397892 CEOLMLWVAHQGMV-HNNXBMFYSA-N 357.362 2.999 0 1 FFAF COC(=O)c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cn1 587157522 NUMXIHXPYVUSAA-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587148483 BAZBAGPEHWEWSP-MRVPVSSYSA-N 353.350 2.629 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc2cn1 587787967 YJQFZJGUYMZQKY-STQMWFEESA-N 351.362 2.688 0 1 FFAF COC(=O)c1noc(C)c1[C@@]1(C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962628733 QDPUPLQYWNAPLC-YBTHPKLGSA-N 374.437 2.927 0 1 FFAF O=c1[nH]c2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1 13825543 LQDVCSIWQVRECJ-UHFFFAOYSA-N 354.454 2.698 0 1 FFAF CC[C@@]12CCCN3C(=O)C[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 14829285 YGSZHGCBNWBWPD-NJDAHSKKSA-N 352.434 2.972 0 1 FFAF COc1cc2c(cc1O)CCN(C(=O)[C@H]1COc3ccccc3O1)[C@@H]2C 2458862 VCQCNRVHNYNRHN-CWTRNNRKSA-N 355.390 2.687 0 1 FFAF CS[C@@H]1C(=O)N(C)C(=Cc2ccc(OCC=C(C)C)cc2)C(=O)N1C 2356449594 QXYMNBLAEDQYLV-LJQANCHMSA-N 360.479 2.992 0 1 FFAF O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 103176210 NUOLCLUVCHILQU-UHFFFAOYSA-N 371.506 2.533 0 1 FFAF N[S@](=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 28362462 FNOUIHYAHRADRU-QFIPXVFZSA-N 369.855 2.603 0 1 FFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@H]13 104374963 MMMDVGMDEBDBOH-VTLCXCFZSA-N 352.434 2.782 0 1 FFAF O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1 114593920 BDHPMFTUNFZKRU-UHFFFAOYSA-N 350.377 2.902 0 1 FFAF OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](F)[C@@H]1O 34008341 QWBCBZPFIOWROF-LMLFDSFASA-N 355.580 2.585 0 1 FFAF COc1c(O)ccc2c1C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3 14442099 BXLGLBCDUIMUFL-ZWKOTPCHSA-N 369.373 2.570 0 1 FFAF biogenic O=C1c2ccccc2C(=O)N1CC[C@H]1CC(c2ccc(O)c(F)c2)=NO1 43011150 KGEKKGLPXDUQNQ-LBPRGKRZSA-N 354.337 2.711 0 1 FFAF Cc1ccccc1CC(C)(C)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 45370146 IPPHWQIXUDIHFZ-GOSISDBHSA-N 370.449 2.676 0 1 FFAF Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@H]54)c3n2)cc1C(N)=O 84615444 XEXXLSSPQTWUID-KCPJHIHWSA-N 365.441 2.759 0 1 FFAF C[C@H]1C[C@@]2(C)CC(C(=O)O)=CCC[C@H]2[C@]1(CO)CC/C(=C/CO)CO 238773284 JCWINCIZDNXUMA-YWCSOYBBSA-N 352.471 2.514 0 1 FFAF C[C@H]1NC(=O)C(c2ccc(F)cc2)=C1c1cc(F)c2c(c1)NC(=O)CO2 96283361 QKZAWMWPTSDSCF-SECBINFHSA-N 356.328 2.725 0 1 FFAF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2)cc1OC 96910398 YMZYQFDBQUZFJS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]23CO[C@@](O)(CO)[C@H]2CC[C@@H]13 299850108 MRRYTJCUHFJPKO-AFYPPJMBSA-N 350.499 2.697 0 1 FFAF O=C(Nc1ccccc1)c1cc2cc(CN3CCOCC3)ccc2oc1=O 653807576 SVJNLQIKWSXWGP-UHFFFAOYSA-N 364.401 2.878 0 1 FFAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427346 DFTBOQIVWKBEHO-LAECCNGNSA-N 353.418 2.955 0 1 FFAF CN1[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)OC[C@@H]21 2178319912 KAMUJUSXFGPMQN-MKUJHJDCSA-N 353.418 2.897 0 1 FFAF Oc1cc(O)nc(SCc2nc3ccc(Br)c(O)c3[nH]2)n1 586966229 BMELJYRBPGHPNG-UHFFFAOYSA-N 369.200 2.525 0 1 FFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)C1 587132054 IBJLDLDTLWWMFR-JTQLQIEISA-N 366.368 2.631 0 1 FFAF O=S(=O)(c1cccnc1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 11821693 OGGYXWUOVKOCMY-CYBMUJFWSA-N 353.394 2.625 0 3 FFAF Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12385846 GXLKSVCDXUMIAV-CQSZACIVSA-N 357.364 2.691 0 3 FFAF COc1ccc(CN2C(=O)CC[C@H]2C(=N)NCc2ccc(O)cc2)cc1 1857543137 NYHFCGSYKCULMX-SFHVURJKSA-N 353.422 2.659 0 1 FFAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@H]1N=CN2CCc1c[nH]c2ccccc12 1857574348 MNUXZVFMAVGUKB-NHCUHLMSSA-N 371.444 2.520 0 1 FFAF Cc1ccc(S(=O)(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 2716073 PJQBNQWXRQYSNG-WDYCEAGBSA-N 357.431 2.550 0 1 FFAF C[C@H]1CCCCN1C(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 4906759 UYOMAIIELHBVNZ-HNNXBMFYSA-N 369.465 2.679 0 1 FFAF CC(=O)c1ccc(OC[C@@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29481864 OZHKKQOIWZSAFZ-NRFANRHFSA-N 368.477 2.841 0 1 FFAF O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(C2CCCCC2)CC1 103009289 UZFUCLLTNNGIJF-GOSISDBHSA-N 373.472 2.576 0 1 FFAF CCOC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccccc12 28112625 UWLOMQIDBCFLCW-UHFFFAOYSA-N 357.387 2.868 0 1 FFAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCNC2 113636444 CAZQCXXQUIGTME-UHFFFAOYSA-N 350.831 2.790 0 1 FFAF CN(C)CCN1Cc2ccc3c4c(ccc(c24)C1)CN(CCN(C)C)C3 28640342 JQYXRYIEZSTEIE-UHFFFAOYSA-N 352.526 2.594 0 1 FFAF CCOC(C)(C)[C@H](O)Cc1c(OC)c(OC)c(OC)c2ccc(=O)oc12 2356537665 AUSFLTJSLYQHGL-CYBMUJFWSA-N 366.410 2.537 0 1 FFAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 2356549793 KNOYIRAECGPNAK-AYZQKUJSSA-N 364.482 2.556 0 1 FFAF COc1ccccc1C(=O)NC[C@@H]1COCc2nc3ccc(C)cc3n21 2356641169 GPVJAGYTBBTTOQ-CQSZACIVSA-N 351.406 2.855 0 1 FFAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCCC4)ccnc32)C[C@@H]1O 27323681 KEMICGMUYDFMDW-ULQDDVLXSA-N 360.458 2.597 0 1 FFAF CC[C@@]1(O)c2ccccc2Oc2cc(C(=O)N3CCN(C)CC3)ccc21 45358206 GPPGJUHNRJFPKX-OAQYLSRUSA-N 352.434 2.826 0 1 FFAF C[C@@H]1C(=O)N(C(=O)C2[C@@H](C)[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 40374342 UOZDCCIXXAQPLF-ZOISCYTDSA-N 370.449 2.673 0 1 FFAF NCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1 40880799 FIUIUNBIQZRXLC-UHFFFAOYSA-N 371.404 2.983 0 1 FFAF Cn1ccnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c1=O 199809936 GKXXTSAQLLFRMV-UHFFFAOYSA-N 353.344 2.847 0 1 FFAF O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(C(F)(F)F)cc4Cl)C(=O)[C@H]13)O2 95495822 QLXZJAHCWHTALL-ASHKBJFXSA-N 373.714 2.730 0 1 FFAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95871794 ZOVGZWZPHZVLOP-UXHICEINSA-N 354.494 2.628 0 1 FFAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 238778463 BXXJRMFWRQTPAC-BNAYXFBYSA-N 361.438 2.894 0 1 FFAF COC[C@H](O)[C@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255216365 HIZZPDXONVQBAA-UQNIDFKASA-N 362.510 2.969 0 1 FFAF CCOc1cc(CC(=O)OC(C)C)cc(F)c1OCC(=O)N(CC)CC 299834197 KXEZZAGAAVXPBC-UHFFFAOYSA-N 369.433 2.966 0 1 FFAF COC(=O)Nc1nc2cc(C(=O)c3ccc(OC)c(OC)c3)ccc2[nH]1 299857104 CMNQZVFIWUQMJV-UHFFFAOYSA-N 355.350 2.989 0 1 FFAF O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccccc2)n2ccccc12 653722461 LVMUURADDQKMMM-IBGZPJMESA-N 373.456 2.994 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CN(CC(=O)O)C=C2)N1 587777236 ZSVZUEDIZARIPG-SNVBAGLBSA-N 367.218 2.745 0 1 FFAF N[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCOC1 587247346 PUJGWGFYUGXIAT-NSHDSACASA-N 361.037 2.662 0 1 FFAF Cc1cc(-c2nc3c(=N)[nH]ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124248 KEOVFDBRSJKWDJ-UHFFFAOYSA-N 371.344 2.607 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705377 NIIXGTUTBZXZNU-VODVUFLWSA-N 372.362 2.895 0 1 FFAF O=C1CO[C@H](c2ccc(-c3cc4c(cc3Cl)NC[C@@H]4C(=O)O)cc2)CN1 1772609074 KAEKKSWHKAOWOV-YOEHRIQHSA-N 372.808 2.788 0 1 FFAF C(CNCC1CC1)CNC[C@H]1CCC[C@H](CNCCCNCC2CC2)C1 5848585 OAZJCKNKDYTSSK-VXKWHMMOSA-N 364.622 2.751 0 1 FFAF COc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1OC 169726071 GTMBZEOBOHHWJK-ZBFHGGJFSA-N 352.415 2.935 0 1 FFAF COc1ccccc1S(=O)(=O)Nc1ccc2c3c(ccnc13)C(=O)N2C 1857540661 JRXOGGRRYJHKKK-UHFFFAOYSA-N 369.402 2.634 0 1 FFAF COc1cc(CCn2cnc3sc(CO)c(C)c3c2=O)cc(OC)c1 1857551470 XYSYFBGSODNCSV-UHFFFAOYSA-N 360.435 2.519 0 1 FFAF CC=Cc1cc2c(o1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1O)[C@H](O)C2 2356717176 JOYCBRUDRSSQCN-FOIQADDNSA-N 372.373 2.748 0 1 FFAF C[C@@H](c1ncncc1Cl)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 26160392 HREKAMFFOJKWEL-QFYYESIMSA-N 365.771 2.691 0 1 FFAF Cc1noc2nc(C(=O)Nc3cccc(Cl)c3)nc(N3CCOCC3)c12 71927992 HTUREDANMOJMBB-UHFFFAOYSA-N 373.800 2.669 0 1 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCC[C@@H](O)C4)ncc23)ccn1 219750539 MVQYPJSRJIWGSQ-UONOGXRCSA-N 366.425 2.753 0 1 FFAF O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(F)cc1 40465122 RJPAZWDGQKZNNL-TZIWHRDSSA-N 355.409 2.699 0 1 FFAF CCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CC[C@@H]2C(N)=O)n1 230563846 JJSPOZHKIUUQOQ-OAHLLOKOSA-N 369.473 2.617 0 1 FFAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)([C@@H](O)CO)CC[C@H]21 238782862 HCDXIYYTHGLFFA-TXWGWWACSA-N 354.487 2.975 0 1 FFAF Cc1c(C(=O)O)sc2ncc(-c3ccc4c(O)nc(O)nc4n3)cc12 587562956 ABPONFBULJLBKX-UHFFFAOYSA-N 354.347 2.719 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C2)C3=O 587434893 CKLYQDZUUKKUQR-RNODOKPDSA-N 373.405 2.739 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1SCC(=O)O)O2 587410369 RJKIGQPXZGZARG-CYBMUJFWSA-N 361.423 2.502 0 1 FFAF C=CN1CC[C@H]([C@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393425 IHHYSFGLHZQNCR-HRAATJIYSA-N 363.417 2.825 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCN1CCOCC1 587863019 AYUJAHNOQQPALF-UHFFFAOYSA-N 355.360 2.910 0 1 FFAF C[C@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592053 HGZGUYKIHVUFJZ-XHZUGVROSA-N 367.401 2.958 0 1 FFAF CC1(C)NC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343268 AYEBMHFPGWAJGP-PXNSSMCTSA-N 355.365 2.928 0 1 FFAF CC(C)N1C[C@@H]2C[C@H](C1)C21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762466 IZXAUOQXAOVXFU-SDUBRBAJSA-N 352.400 2.888 0 1 FFAF CC(C)(C)OC(=O)NCC[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963240891 ZTJVUTVCUXJUHD-IAGOWNOFSA-N 371.437 2.790 0 1 FFAF COc1ccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)cc1 1772629605 APJCHWXWJHXBQG-UHFFFAOYSA-N 361.405 2.822 0 1 FFAF CN[C@@H]1c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2[C@@H]1CCO 1772606029 LXQQHMVSKDDSKV-QFBILLFUSA-N 356.447 2.618 0 1 FFAF Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCC1=CCCCC1 12468833 DDTVXKTZHCQQEA-FQEVSTJZSA-N 369.509 2.692 0 3 FFAF O=C(O)[C@H]1Sc2nc(O)sc2[C@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 13115632 GLRLETCXFWLLIY-NRPADANISA-N 369.807 2.728 0 1 FFAF C[C@@H]1Oc2ccccc2O[C@@H]1CNCC1CCN(c2ncccn2)CC1 13799864 OGJLWAUKNAZCQP-HNAYVOBHSA-N 354.454 2.511 0 1 FFAF Fc1cccc([C@@]2(CN3CCN(Cc4ccncc4)CC3)CCOC2)c1 19789732 DSCABZWAXJUBNP-OAQYLSRUSA-N 355.457 2.697 0 1 FFAF CCc1nc2ccccc2n1CCCN1CCN([C@H]2CCCC[C@@H]2O)CC1 19851242 GZYOWZPLPMBCST-SFTDATJTSA-N 370.541 2.910 0 1 FFAF O=C(c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1)N1CCCCC1 206023236 OCROSMJRGNRYNE-UHFFFAOYSA-N 372.400 2.882 0 3 FFAF O=C(O)C[C@@H]1CN(Cc2ccccc2Br)C(=O)c2cccn21 206394061 MOTOBYLYWVPQJA-GFCCVEGCSA-N 363.211 2.922 0 3 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CC[C@@]14COC(=O)C1=CC[C@@H](O3)[C@H]42 202800578 HQXPEPNOBAUHLR-ALCQSMKISA-N 356.374 2.695 0 1 FFAF Cc1cc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)no1 3014979 NQTLCAOZSRXXHL-UHFFFAOYSA-N 353.378 2.800 0 1 FFAF CC(=O)NCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 3894488 VDHSGBLFBRUELT-UHFFFAOYSA-N 354.454 2.854 0 1 FFAF CC(=O)n1cc([C@H]2C=C(C(=O)O)O[C@@H](OCCCCO)C2)c2ccccc21 6563233 DTSXCENXWZJEQR-IFXJQAMLSA-N 373.405 2.889 0 3 FFAF CCOc1nc2cnccc2n(CC(=O)Nc2c(C)cccc2CC)c1=O 9740147 SCMSDYJMTLUMKX-UHFFFAOYSA-N 366.421 2.700 0 3 FFAF CN(C)c1ncnc2c1ncn2Cc1cccc(OC(=O)C(C)(C)C)c1 25975243 JRIVCRNBEGQLHN-UHFFFAOYSA-N 353.426 2.892 0 1 FFAF C[C@H](OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O)C1CC1 26291235 WTOORHANEMAYPO-NSHDSACASA-N 350.436 2.952 0 1 FFAF CC(=O)NCn1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(=O)o1 28523070 PKQSMWUNYUFIOF-UHFFFAOYSA-N 352.346 2.567 0 1 FFAF CC=C1CN2CCc3c4n(c5ccccc35)[C@@](OC)(C(=O)OC)[C@H]1C[C@H]42 2356644093 RVSIIJMBBKAXBL-CDXJDZJCSA-N 352.434 2.993 0 1 FFAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](N)[C@H]2C(=O)N3)cc1 2356859180 SRTYLZFQJNRSFK-WBVHZDCISA-N 353.447 2.569 0 1 FFAF COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C(C)C 36383144 GMAJEEGDGXQFQK-NSHDSACASA-N 351.346 2.722 0 1 FFAF COc1c(O)ccc2c1C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 14442094 BXLGLBCDUIMUFL-MSOLQXFVSA-N 369.373 2.570 0 1 FFAF biogenic CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 82177672 IPWQXRWLYIEIOQ-UHFFFAOYSA-N 351.410 2.963 0 1 FFAF COc1ccc(CN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40891733 YXQPLYXKTAAKSE-UHFFFAOYSA-N 350.382 2.612 0 1 FFAF CC(=O)c1ccc2c(c1Cn1ccc3cc4c(cc3c1=O)OCO4)OCO2 85948227 OYCDIRUGACCROL-UHFFFAOYSA-N 365.341 2.710 0 1 FFAF biogenic,in-vitro CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCCN(C)CC3)ncc2C)C1 82202637 HQXBZMKDVKZPAU-KSZLIROESA-N 361.534 2.933 0 1 FFAF C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O 238731841 WXMNNRDFSZJCML-VVUMFWKYSA-N 358.390 2.534 0 1 FFAF CC(C)CCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O 238764082 XFALDVRFLGVGRT-GFCCVEGCSA-N 358.390 2.796 0 1 FFAF O=C(OCc1cccc2c1CCOC2=O)c1cc(=O)c2ccccc2o1 299856528 JJXJSQLUQWSRRH-UHFFFAOYSA-N 350.326 2.863 0 1 FFAF O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(F)cc1F 653825893 JXIOYKLSASHWGZ-UHFFFAOYSA-N 354.106 2.985 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1c[nH][nH]c1=N)[C@@H](C2)C3=O 587450877 LNASZCVPQQZGOF-BBATYDOGSA-N 353.403 2.584 0 1 FFAF N=c1nc(O)c2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2[nH]1 587137950 UFUPUWVRSWPQNZ-UHFFFAOYSA-N 358.558 2.693 0 1 FFAF Cn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)cn1 587623593 XGNSHLMOJOEVMN-UHFFFAOYSA-N 374.198 2.834 0 1 FFAF CC(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587765460 CIFINPVQPDJOSY-SNVBAGLBSA-N 355.251 2.960 0 1 FFAF COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@@H]1C(=O)O)CC5 587211696 HVOWUXIIZZXGCZ-DXCKQFNASA-N 366.417 2.905 0 1 FFAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444531 UIODSALPEZLAKK-IERDGZPVSA-N 368.385 2.910 0 1 FFAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2cnc3nc(O)nc(O)c3c2)CC1 587555137 OEBUFPNQHPOUSS-UMSPYCQHSA-N 360.414 2.987 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)nc(S)nc2[nH]1 587080574 QRWDCPIQPYRUNY-VIFPVBQESA-N 360.830 2.724 0 1 FFAF CCS(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 586908758 UWRJGFIMXVRMDS-NSHDSACASA-N 358.419 2.937 0 1 FFAF Cn1ccnc1[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962927131 ZRFCZQTTWLBFOG-UGSOOPFHSA-N 357.410 2.512 0 1 FFAF CCOc1cc(C(=O)O)c(O)c(I)c1-n1cccc1 1857634709 HKOVCWKJPFIXHL-UHFFFAOYSA-N 373.146 2.884 0 1 FFAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NC3CC3)cc21 5058554 LMBMXPNIWWWZPW-RUZDIDTESA-N 354.431 2.726 0 3 FFAF C/C1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC[C@](C)(O)[C@H](O)CC1)[C@@H](C)C(=O)O2 169292609 FZQSMOGFOFEWKN-BHLKDXKYSA-N 354.487 2.718 0 1 FFAF Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCCCN(C)C)[C@@H]1O2 169323926 QOFLBKRDMVQFLC-FKBYEOEOSA-N 372.509 2.983 0 1 FFAF N[C@@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1 205243246 IZVRVJUQKJASMV-OAHLLOKOSA-N 357.421 2.619 0 1 FFAF CN(C)C(=O)CCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857576985 LXHKUZXKFOJNLZ-UHFFFAOYSA-N 353.378 2.966 0 1 FFAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(O)cc1)C(=O)O 13758272 HVWUYSRTZMPCPD-QGZVFWFLSA-N 356.440 2.519 0 1 FFAF COc1cc2c(cc1OC)[C@H](C(=O)NCCC(C)C)[C@H]1CCCCN1C2=O 4563922 RQPAWEAIIHOEIK-APWZRJJASA-N 374.481 2.958 0 3 FFAF CCCCCCN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356288450 DQWYVKMCZUKAHX-NRFANRHFSA-N 357.542 2.838 0 1 FFAF CCNC(=O)[C@]1(C)CCN1CCC(=O)c1ccc(Br)cc1 61904462 PZEIFCBCTBHQBU-INIZCTEOSA-N 353.260 2.622 0 3 FFAF CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1 25967748 VTMOQECMEVAMGR-MRXNPFEDSA-N 360.454 2.554 0 1 FFAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)[C@H](O)C(=O)O[C@H]2O1 2356464475 LHLNSAQPWLVQGX-BHUQQCALSA-N 374.550 2.769 0 1 FFAF COc1ccc(-c2noc([C@H](C)NC(=O)c3cccn3C)c2C(=O)O)cc1 2356581928 QIBXZSAEZGVTFL-NSHDSACASA-N 369.377 2.878 0 1 FFAF CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3 38191712 IQUGPRHKZNCHGC-GIVPXCGWSA-N 367.401 2.505 0 1 FFAF O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207407 YSSYJSNRKGPASN-MRXNPFEDSA-N 370.371 2.960 0 3 FFAF CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224752703 NERUAAXLGFQVOL-UHFFFAOYSA-N 372.425 2.830 0 1 FFAF COc1ccc2occ(CSC(=S)N3CCOCC3)c(=O)c2c1 42966824 XQKRMVBJYKZFLV-UHFFFAOYSA-N 351.449 2.652 0 1 FFAF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82141828 DBFWDRCSIMUFNZ-HUUCEWRRSA-N 372.469 2.985 0 1 FFAF COc1ccc(-c2c(-c3ccc(OC)c(OC)c3OC)c(=O)c2=O)cc1 96928909 NMRLOEBFJLOPEL-UHFFFAOYSA-N 354.358 2.651 0 1 FFAF O=C(O)CC[C@@H](O)c1nc2ccc(N(CCCl)CCCl)cc2[nH]1 148016322 BANYNEBLGUSGJJ-CYBMUJFWSA-N 360.241 2.745 0 1 FFAF C/C(CC[C@@]1(C)C(=O)CC[C@@H](O)[C@]1(C)O)=C1/C[C@H](c2ccoc2)OC1=O 238746561 OXEYBYROEZOPME-CMOYGFMLSA-N 362.422 2.845 0 1 FFAF C[C@]1(O)C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 95918720 ADWWSTLDHHDKTM-DDLFGNOYSA-N 357.494 2.590 0 1 FFAF biogenic,in-vitro COc1ccc(C[C@H](N)c2nc(=O)c3cc(-c4cn[nH]c4)ccc3[nH]2)cc1 95591812 IFSJHRROANUFFS-KRWDZBQOSA-N 361.405 2.564 0 1 FFAF COc1cc2c(cc1O)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 29042045 WQASXWBMZSTCJF-UHFFFAOYSA-N 351.314 2.898 0 1 FFAF biogenic CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586964349 YMWWATFMNOZSSR-ZDUSSCGKSA-N 371.422 2.941 0 1 FFAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(Cl)cccc41)[C@@H](C2)C3=O 587422335 PEQVUDDFCFXMOE-HXPMCKFVSA-N 355.777 2.968 0 1 FFAF COC(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 586983307 YPURVBOTEXUYAZ-UHFFFAOYSA-N 360.167 2.987 0 1 FFAF N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1F 587144919 RCYZDSKXLHHMJL-SNVBAGLBSA-N 351.179 2.808 0 1 FFAF COC(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1OC 587566328 HAXGLVWSKOEBRC-UHFFFAOYSA-N 354.362 2.792 0 1 FFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962952584 VBMVQOCXHJICRN-ZUZCIYMTSA-N 354.410 2.787 0 1 FFAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)nc1 1772571609 NDKFWXSXVFIJIN-UHFFFAOYSA-N 351.389 2.519 0 1 FFAF N=C(NC1=N[C@@H]2CCCC[C@H]2C(=O)N1)N1CCC(Cc2ccccc2)CC1 1857578154 ILUDOCZXAFKIAI-QZTJIDSGSA-N 367.497 2.510 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCN(C#N)C2)ccc1-c1ccncc1Cl 1857608594 YOHLXLXTZIRRQL-CYBMUJFWSA-N 356.813 2.696 0 1 FFAF Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 4903217 PVOGWTZROONFLE-FXAWDEMLSA-N 364.445 2.987 0 3 FFAF CCOC(=O)C[C@H](CCc1cccc(C(=N)N)c1)c1ccc(C(=N)N)cc1 58655486 IVWHZXFNFUVNTJ-KRWDZBQOSA-N 366.465 2.924 0 1 FFAF CC(C)(C)OC(=O)N1CC2(CCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)C1 103241039 CBAASZULPRXEHD-CVEARBPZSA-N 357.454 2.655 0 1 FFAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccncc1)CCC3 28968764 AGUVCUMUUYGWMV-MRXNPFEDSA-N 351.406 2.909 0 1 FFAF Cc1cc(C(=O)N[C@@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)nn1C 2356306125 DVXAFXDCWPEJKR-JTQLQIEISA-N 372.356 2.712 0 1 FFAF CC1(C)[C@H]2C[C@@]34CCCN3C(=O)[C@@]2(CC4=O)C[C@]12Nc1ccccc1C2=O 2356671413 YKFNOTOSNMPNBB-WWGKXEARSA-N 364.445 2.804 0 1 FFAF O=C(NCC1(O)CCCCC1)C1(N2CCCCC2)Cc2ccccc2C1 20406709 SSTHEVGWLJWCBD-UHFFFAOYSA-N 356.510 2.821 0 1 FFAF CC[C@H](C)[C@@H](NC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1 28114476 VZMCSBFDWDQKHG-WMLDXEAASA-N 355.438 2.995 0 1 FFAF COCCn1c(S)nnc1-c1c[nH]c2c(C(F)(F)F)cccc2c1=O 45284244 HTWZCBWTMIJCEF-UHFFFAOYSA-N 370.356 2.741 0 1 FFAF COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)[C@@H](OC)C=C1CCN3CCC2 15148617 QANHDQASCQVEMJ-CDXJDZJCSA-N 373.449 2.631 0 1 FFAF biogenic O=C1OC[C@@]23CC[C@H]4C(=O)O[C@@H]5O[C@H](c6ccoc6)C[C@@]54[C@H]2CCC=C13 238756031 DDPSPQFNPQHPCV-MXZSYGRSSA-N 356.374 2.900 0 1 FFAF COc1cc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(N)=O)ccc1F 95566406 KSUHFCIYZNRYRC-UHFFFAOYSA-N 353.353 2.742 0 3 FFAF C[C@H]1c2[nH]c3cccc(Br)c3c2C[C@@H]2C(=O)N(C)C(=S)N12 95589291 QMIKKZAFPYDZMD-WRWORJQWSA-N 364.268 2.975 0 1 FFAF C[C@]12C[C@H](O)[C@@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 255262376 RHQQHZQUAMFINJ-SOQCZFHPSA-N 350.499 2.538 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]31 587108324 ZPLQIQDQWAXUFZ-YZSZRTLCSA-N 356.381 2.759 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc([C@H](N)C4COC4)[nH]c3c2)cc1 587255762 QEXIFWBFCNNGIH-QGZVFWFLSA-N 353.378 2.788 0 1 FFAF C[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361714 ZOFLGRWUNQCPNO-AEFFLSMTSA-N 364.394 2.694 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2n1 586904233 UAEBMPGSHWNBHS-UHFFFAOYSA-N 351.318 2.979 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1cnccn1)([C@H](C)C(=O)OC)CC2=O 587490070 OJBISMQVDKWKKY-ODXCJYRJSA-N 370.405 2.805 0 1 FFAF Cc1ccc(-n2ccnc2SCc2nc3c[nH]c(=N)[nH]c-3n2)c(C)c1 586967160 YDXSXSUGEQJUFW-UHFFFAOYSA-N 351.439 2.812 0 1 FFAF CC(C)(C)OC(=O)NC1(c2nc3nc(Cl)c[nH]c-3n2)CCC(=O)CC1 587234378 LKCAAIRUQLGPOI-UHFFFAOYSA-N 365.821 2.821 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579566 DRQZMZPWUOJUTH-PXNSSMCTSA-N 366.373 2.592 0 1 FFAF COC(=O)C(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991544 KWJSNLXAGTWMCQ-ZDUSSCGKSA-N 373.364 2.924 0 1 FFAF COC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349087 PHTCSSVUDAMQPG-HKUYNNGSSA-N 360.337 2.750 0 1 FFAF COc1cc2c(cc1OC)[C@](c1ccccn1)(c1ncc[nH]1)N(C)[C@H](C)C2 962633508 PJAFSBIYWMBLRJ-SZNDQCEHSA-N 364.449 2.990 0 1 FFAF COC(=O)c1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cn1C 963046057 IDELORLEUSFSHU-SFHVURJKSA-N 351.406 2.604 0 1 FFAF Cc1c(O)ccc2c1[C@@](c1ccc(Cl)s1)([C@@H](C)O)N[C@H](C(=O)O)C2 963551424 NOLUMRRQLHNGIK-NVTQBHAOSA-N 367.854 2.639 0 1 FFAF O=C(N1CCN(Cc2ccccc2)CC1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 13145742 IKEVKTRFXNQTKM-IVCWUUCSSA-N 354.494 2.662 0 1 FFAF O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 13441852 LCEHMKFPACVQAI-LLLGYDHXSA-N 370.474 2.768 0 1 FFAF Cc1nn(C)c(OC[C@@H](O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1 13555932 YQVOTAMVRSXTIR-SFHVURJKSA-N 373.497 2.818 0 1 FFAF O=C1C[C@H]2N(CC3CC3)CC[C@@]34CC(=O)[C@@H]1C[C@@]23Cc1ccc(O)cc14 169291555 WWZJATZYCGKHLQ-XXMUNEJQSA-N 351.446 2.609 0 1 FFAF COC(=O)c1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 169329118 KSVIJCPSTQSZGB-UHFFFAOYSA-N 355.442 2.580 0 1 FFAF Cn1c(C(=O)NCc2ccccc2)nc2cccc(OC3CCNCC3)c21 1857536206 RRPBCJJBFXMOLM-UHFFFAOYSA-N 364.449 2.634 0 1 FFAF COCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O 8691355 CRWKABCZFSLFMY-UHFFFAOYSA-N 364.423 2.658 0 3 FFAF Cc1ccc(CN(C)C[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27186283 GQWWFPOCUOFULY-GOSISDBHSA-N 352.434 2.708 0 1 FFAF COC(=CC(=O)O)[C@@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O 2356447598 XLWNJIRNWLVIGU-ICSRJNTNSA-N 372.373 2.590 0 1 FFAF CC(C)(O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C[C@@H]1O 100997036 KFBQRZHPKRMWKO-DXGJXXFVSA-N 371.521 2.828 0 1 FFAF COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1 28825425 UKLXQJXIZVDGOI-KSEOMHKRSA-N 352.478 2.905 0 1 FFAF CCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12 115625197 DZQIMQWUPRVZES-UHFFFAOYSA-N 350.422 2.799 0 1 FFAF O=C(NCCO)c1c(-c2ccc3c(c2)OCO3)noc1-c1ccsc1 61969109 MKCJLWRPJLCLQE-UHFFFAOYSA-N 358.375 2.521 0 3 FFAF CC(C)(O)[C@H]1Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 2356619502 IKHVEPGZVCECES-NVXWUHKLSA-N 372.373 2.584 0 1 FFAF CC=C1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1ccc(OC)cc14 2356664634 CWRHADRMQPQCJO-AVBTWRTFSA-N 352.434 2.840 0 1 FFAF COc1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1 45340283 CIKWDDHQAXHMHT-UHFFFAOYSA-N 351.410 2.719 0 1 FFAF CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N)ccc12)C(=O)O 42920541 SMJNKVQJVSTDHQ-INIZCTEOSA-N 362.407 2.556 0 1 FFAF COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12CC5=O)[C@H]43 85991074 YJPZEEJEVQHKLG-OYNPSCLESA-N 350.418 2.647 0 1 FFAF COc1cc(C[C@@H]2C[C@H](CO)[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 85642893 OMBIBIJONAKBNB-SXGZJXTBSA-N 360.406 2.796 0 1 FFAF biogenic COc1cc2c3c(c1)O[C@](C)(CC(=O)NCc1ccccc1)[C@@H](C2)C3=O 587427525 DHGWZTGFUFDWKO-HRAATJIYSA-N 351.402 2.908 0 1 FFAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)c1 587931989 QPYMCENWILGNKF-UHFFFAOYSA-N 362.345 2.671 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(C(C)=O)C1 587873277 XELWBGMOEXGJDY-HNNXBMFYSA-N 359.401 2.987 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1NS(C)(=O)=O)[C@@H](C2)C3=O 587447408 AAIVVOOAIATVNM-UGSOOPFHSA-N 359.403 2.555 0 1 FFAF OCCc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005593 MDKSMZAFUWCLIO-UHFFFAOYSA-N 353.607 2.971 0 1 FFAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(C(O)O)CC2=O 587465726 HHVUQYARNHLVDX-LJQANCHMSA-N 364.344 2.794 0 1 FFAF COc1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)ccc1Br 586976673 GWJPHFSVIJKKSC-HYXAFXHYSA-N 363.171 2.706 0 1 FFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C1CC1)C(=O)C2 587583282 REIJNFUZOUZRHD-RXVVDRJESA-N 365.385 2.877 0 1 FFAF Cc1c(Br)cnc2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc12 587250406 TUWOEOQOXRESTI-UHFFFAOYSA-N 361.199 2.905 0 1 FFAF C[C@]1(COc2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962918394 HLQMAGDUGRGODW-MAUKXSAKSA-N 351.324 2.997 0 1 FFAF CN1c2ccccc2[C@]2(CS1(=O)=O)c1c(F)cccc1C[C@H]1CCCN12 963114641 VIPVBKKMDVOYQU-FOIQADDNSA-N 372.465 2.869 0 1 FFAF O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCCC1 13725640 LBNMGMHTMGRWNZ-UHFFFAOYSA-N 354.410 2.622 0 1 FFAF COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1[C@@]21N=C(N)N(C)C1=O 169700419 NRXARCITFDOHSG-UJWQOHNOSA-N 371.481 2.587 0 1 FFAF COC[C@H](C)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12 169708370 NIKAZRDSCJIJHF-VIFPVBQESA-N 373.438 2.651 0 1 FFAF COCCOc1n[nH]c2cc(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)ncc12 209384305 VDSRUUZRYJVNPO-DZGCQCFKSA-N 367.409 2.661 0 1 FFAF Cn1ncc2cc(-c3ccc(C(=O)N[C@@H]4CCN(C#N)C4)c(F)c3)ccc21 1857549611 CEBODDRYMRREQK-MRXNPFEDSA-N 363.396 2.665 0 1 FFAF COc1ccccc1NC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12 4111421 YHIGYFWLDHFLQQ-UHFFFAOYSA-N 368.389 2.817 0 3 FFAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356407788 LCESTORIXPKFIW-KLNZLUDXSA-N 366.413 2.644 0 1 FFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4C)C[C@@H]3C2)n1 116826667 DPIPMKPGBKKWPI-QZTJIDSGSA-N 350.466 2.919 0 1 FFAF O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] 28861777 GLLQQOCPLFPVOE-UHFFFAOYSA-N 358.272 2.557 0 1 FFAF NC(=O)c1cc([C@@H](O)CO)cc(-c2cccc(Oc3ccc(F)cc3)c2)n1 114603165 JSUVQJPBNZYCNJ-IBGZPJMESA-N 368.364 2.805 0 1 FFAF CCS(=O)(=O)[C@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 101400110 GTDDIUJHWPRGSU-FUHIMQAGSA-N 372.442 2.983 0 1 FFAF CCC[C@@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@H]2O1 2356336042 GYPXYJUUIBLXBA-WDBKCZKBSA-N 350.367 2.798 0 1 FFAF Cc1sc(-c2nccc(N)n2)nc1-c1ccc(OP(=O)(O)O)cc1 26158602 JVVRWWWRERDYBF-UHFFFAOYSA-N 364.323 2.629 0 1 FFAF CO[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 26248102 YQXCPFLBMFHCCM-GOSISDBHSA-N 370.405 2.985 0 1 FFAF CC1=C2[C@@H]3CC[C@@]4(C)C(=O)O[C@]3(C)[C@H]4[C@@H]3O[C@]23[C@@H](c2ccoc2)OC1=O 28537293 FYXJATHBHBXSBU-PVAGXYTJSA-N 356.374 2.693 0 1 FFAF CC[C@]12CCC(=O)N3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 1625202 OQLYVMALDCKIQD-QHAWAJNXSA-N 352.434 2.972 0 1 FFAF biogenic COc1ccc(CCNC(=O)C(=O)CCCc2ccccc2)cc1OC 1911581240 NNBYHRRMRFFJJK-UHFFFAOYSA-N 355.434 2.955 0 1 FFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 218913479 PNVARSSCFDDIRK-LLVKDONJSA-N 354.439 2.630 0 1 FFAF CNC(=O)c1ccc2c(c1)OCCc1sc(-c3ncnn3C(C)C)nc1-2 96269674 HBPSIRFHEWZMLF-UHFFFAOYSA-N 369.450 2.944 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@@]13COC(=O)C1=CCC[C@H]32 103289278 HCFZFECEGOZSEN-KYMCYIMRSA-N 358.390 2.534 0 1 FFAF biogenic FC(F)(F)COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccn1 587092661 YJSUGXMTWXOOPL-UHFFFAOYSA-N 361.287 2.542 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[C@H](N)C(=O)O)(c1ccccc1)O2 587389260 JOCRSRMUYXIMTQ-YWZLYKJASA-N 354.406 2.630 0 1 FFAF COCCN1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587768672 MBZNQGVNEIYMKH-MEDUHNTESA-N 357.267 2.670 0 1 FFAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(=N)[nH]cc2[nH]1 587112092 GVOWORBXLHFHMC-INIZCTEOSA-N 363.343 2.789 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1[C@H]1CCS(=O)(=O)C1 587864144 LSEGYKAYWVPRMQ-JTQLQIEISA-N 360.357 2.937 0 1 FFAF COC(=O)N1C(=O)[C@](Cc2ccccc2)(c2ccccc2)N1C(=O)OC 15924764 AHTCBKHTVIFTIY-IBGZPJMESA-N 354.362 2.717 0 3 FFAF CN(CCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Cc1ccccc1 169290294 JCQWKPHRUQWHIZ-QONVVCGCSA-N 350.462 2.562 0 1 FFAF Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311425 PWUMXBLOOZZPTL-NQXLBRQLSA-N 362.495 2.972 0 1 FFAF O=S(=O)(C[C@@]1(O)CN2CCC1CC2)c1ccc(-c2ccccc2)cc1 833498 YCVUUBXTXSXKRZ-FQEVSTJZSA-N 357.475 2.584 0 1 FFAF Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)O)C2=O)c1 3780386 NRULKSIEDTYWQA-MRXNPFEDSA-N 367.405 2.549 0 1 FFAF CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)CCCC1)C(=O)O 101091971 OLJFAUHUGYPHKD-RBSFLKMASA-N 352.475 2.598 0 1 FFAF Cc1nc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)sc1C 53150616 RTOJYNJWSUUREU-KRWDZBQOSA-N 356.495 2.757 0 1 FFAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356441239 LDEGOYLUSKGGRL-CABCVRRESA-N 365.437 2.508 0 1 FFAF Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)n(C)n1 66114170 HPSVJRBUHQCFRE-HNNXBMFYSA-N 353.401 2.861 0 1 FFAF COc1ccc(CC(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cc1OC 74377016 WCWLOKQZVMRMPD-QFBILLFUSA-N 366.417 2.508 0 3 FFAF C=C(C)C(=O)[C@H](OC(=O)CC)c1c(OC)c(OC)cc2ccc(=O)oc12 14589487 UASDBNCEGOBSLQ-LJQANCHMSA-N 360.362 2.950 0 1 FFAF biogenic CC(C)C[C@@H](NO)NC(=O)[C@@H](Cc1ccc(O)cc1)NCc1ccccc1 35280493 CTIWPWKPYDQLCB-WOJBJXKFSA-N 371.481 2.560 0 1 FFAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncnc1N1CCOCC1)O2 587379623 JROKJRLGYBXJAX-CQSZACIVSA-N 374.828 2.564 0 1 FFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 586950298 UDDKBSFNGDIEPE-UHFFFAOYSA-N 370.356 2.939 0 1 FFAF COC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349093 PHTCSSVUDAMQPG-MJGOQNOKSA-N 360.337 2.750 0 1 FFAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)N(C)C)nc2c1 587190626 IVVYFOXCUADEDC-VIFPVBQESA-N 354.248 2.995 0 1 FFAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)S1 962893932 GMTQQYQVBFNYQA-DZGCQCFKSA-N 374.441 2.954 0 1 FFAF O=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1 12474621 JVIRRTBYCZXOQN-QFIPXVFZSA-N 366.505 2.757 0 3 FFAF CC[C@@H](O)/C=C\C=C/C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 169622092 AOPOCGPBAIARAV-WUCYLNAVSA-N 350.455 2.905 0 1 FFAF O=C1N(c2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1ccccc1 1625508 GWUSSCXWEWTJSD-FGZHOGPDSA-N 372.380 2.863 0 1 FFAF COc1cc(C[C@H]2COC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 6483749 LDYVVKWGJMWITK-AVYPCKFXSA-N 360.406 2.654 0 1 FFAF biogenic,in-vitro Nc1ccccc1NC(=O)CCCCCNS(=O)(=O)c1ccccc1 117586861 MFBKZMORTOQYRB-UHFFFAOYSA-N 361.467 2.746 0 1 FFAF CC[C@@H]1N(C)C(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27989120 XPOYPEGICVZFLM-IBGZPJMESA-N 355.482 2.812 0 1 FFAF C[C@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)O)c1ccccc1 26377477 DWRFNATXFQHHDE-XOBRGWDASA-N 352.390 2.756 0 1 FFAF COc1cc(OC)nc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 61903029 WMCKFQIELRAHDA-LBPRGKRZSA-N 357.439 2.936 0 3 FFAF COc1cc([C@@H]2OC[C@@H](Cc3ccc(OC)c(OC)c3)C2=O)ccc1O 2356539377 MPBLTTLWUVPJRH-VLIAUNLRSA-N 358.390 2.917 0 1 FFAF CCCCO[C@@H]1C[C@@H]2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 2356583760 GEZHQZVRFGIEGQ-SFSAILNRSA-N 373.449 2.947 0 1 FFAF COc1ccc2c(CCN(C)C)cn(S(=O)(=O)c3ccccc3)c2c1 36093373 SYILXMORBUBUPM-UHFFFAOYSA-N 358.463 2.991 0 1 FFAF CNc1nc2[nH]c(-c3cccc([C@H](C)NC(C)=O)n3)cc2c2c1ncn2C 73158097 HJNOHXBEFNKEHY-JTQLQIEISA-N 363.425 2.750 0 1 FFAF COc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@@H]2C)cc1 653813433 VXXGLIVQSASNGZ-SNVBAGLBSA-N 366.450 2.912 0 1 FFAF CN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 586928433 BCFFOUCYUMWZOK-UHFFFAOYSA-N 372.784 2.710 0 1 FFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CN1C(=O)c2ccccc2C1=O 587651153 MCBCBKZJGOAUGN-UHFFFAOYSA-N 368.414 2.676 0 1 FFAF Cc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878571 AHFIXOKRXFLERI-UHFFFAOYSA-N 361.361 2.812 0 1 FFAF C[C@@H]([C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O)N(O)C=O 13490359 VJDIWGRVXNTKIX-HNAYVOBHSA-N 354.406 2.855 0 1 FFAF COc1ccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)nc1 13746119 WDLFLRDORRSKQU-VWLOTQADSA-N 356.451 2.650 0 1 FFAF Clc1cccc(N2CCN(CCCCN3C[C@H]4CCCN4C3)CC2)c1 19332312 HBNTXNSLNZMDEK-HXUWFJFHSA-N 362.949 2.980 0 1 FFAF CCOC(=O)C(=COC(=O)c1ccccc1)NC(=O)Cc1ccccc1 1857623200 JFGDJEPGHSCLDA-UHFFFAOYSA-N 353.374 2.607 0 1 FFAF CCn1c2ccccc2c2nnc(N3CCN(c4ccccn4)CC3)nc21 6781664 VGZDGSJJDALSGB-UHFFFAOYSA-N 359.437 2.721 0 1 FFAF O=C1c2cc(Br)ccc2O[C@@H](c2ccc3c(c2)OCO3)[C@H]1O 102319356 OFXFLYMEGZWBEJ-HOTGVXAUSA-N 363.163 2.855 0 1 FFAF O=C(NCC[C@@H]1CCCCO1)c1cc(COc2cncc(Cl)c2)on1 20110077 WARDFMFAEXIIJZ-ZDUSSCGKSA-N 365.817 2.991 0 1 FFAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H]2OC(=O)[C@@H](C)[C@H]2C(=O)C1 2356745356 UWAIXFGHQNPRSB-GWBBIWSLSA-N 350.455 2.798 0 1 FFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC=C[C@H]5NC4=C3C[C@H]12 2356843786 NPGZYYULZQXTPH-BLBBIFAFSA-N 350.418 2.533 0 1 FFAF CCn1ncc2c(NC3CCOCC3)c(C(=O)NC3CCCC3)cnc21 45496510 ZLEDFOJPRPLJAJ-UHFFFAOYSA-N 357.458 2.715 0 1 FFAF Cc1csc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1 223505044 RZFHODHLLPWBTO-UHFFFAOYSA-N 364.515 2.727 0 1 FFAF Cc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)s1 230528570 BHUGTDMADFUSRL-VMBOVVBDSA-N 358.463 2.937 0 1 FFAF CCOC(=O)[C@H]1CCCN(CCC(=O)N2CCCC23CCCCC3)C1 653769958 KUSLDZDWQMFSBV-KRWDZBQOSA-N 350.503 2.977 0 1 FFAF C[C@H](n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583165 UCUCBNNOCVBQTQ-MOFZMDFASA-N 351.362 2.965 0 1 FFAF COC1(OC)CCOC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836879 YJHSWKNPWTVHJE-MEBBXXQBSA-N 374.250 2.727 0 1 FFAF COC(=O)Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1 587105105 OSWVALKTRXNMLF-UHFFFAOYSA-N 370.368 2.878 0 1 FFAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962903209 WEBDZLFOMXRCKV-LAUBAEHRSA-N 371.408 2.794 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@@](CCC(=O)O)(c3ccccc3F)c3cccc1c32 963036335 XIUYRIYNEXGVCU-ASSNKEHSSA-N 368.408 2.987 0 1 FFAF CC[C@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764946 MERMEGNDOLFMAM-GFCCVEGCSA-N 358.442 2.853 0 1 FFAF COc1ccc2c(c1OC)C(=O)c1c3c-2c2c(cc3cc[n+]1C)OCO2 14619190 ABAKCJDWDGADKE-UHFFFAOYSA-N 350.350 2.622 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742846 KVFXBBSEFMIRDB-WHEQGISXSA-N 361.232 2.983 0 1 FFAF NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCCCC1 1857751080 RDMRYOCVRCBAOX-UHFFFAOYSA-N 359.879 2.611 0 1 FFAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cccc(O)c1 64446649 DJGBTKORUYROLC-FBMGVBCBSA-N 368.341 2.811 0 1 FFAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)OC(C)=O 2356737841 VURLZBDQVPJJTL-IHPCNDPISA-N 354.450 2.957 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1cccc(-c3ccc(F)cc3)n1)C2 213235681 YCGXOOIDVMCISN-OAHLLOKOSA-N 370.340 2.970 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95894127 XTQBSVCVYJLKNC-HBFSDRIKSA-N 365.433 2.804 0 1 FFAF COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@]21[C@@H]43 32180300 ZRSBOAUHWZBBQX-GBAJDQEWSA-N 370.493 2.699 0 1 FFAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccnc2N)N1 587748340 WIOKLDXSMXUGGW-ANRSDYALSA-N 351.223 2.758 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 587106123 IKGZRJIZIJVZKL-MNVSYLFESA-N 356.381 2.759 0 1 FFAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1[nH]nnc1=N 587628470 UBQYECAFDATVGP-UHFFFAOYSA-N 350.226 2.902 0 1 FFAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN(C)N[C@@H]1C(F)(F)F)CC2=O 587464081 ICMYHISOERCNEJ-PJODQICGSA-N 358.360 2.676 0 1 FFAF Oc1nc(O)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 586975388 FMPNJBLERLKHTN-UHFFFAOYSA-N 371.578 2.759 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]31)CC2=O 587488439 ZOFFKOMZMXRLIN-OOGJFVKTSA-N 359.422 2.521 0 1 FFAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)CCC(=O)OC)[C@@H]23 1772581240 SCAYGQJBDNEPIW-XLSPSMHOSA-N 350.503 2.831 0 1 FFAF C[C@H](O)COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772595599 CFCRNSAKJBYHMH-NWDGAFQWSA-N 355.398 2.600 0 1 FFAF N[C@@H](CC(=O)N1CCc2oc(C3CC3)nc2C1)Cc1cc(F)ccc1F 14949028 UDXLNEJSRGJBIP-CQSZACIVSA-N 361.392 2.675 0 1 FFAF CCOc1ccc2cc(-c3nn(CC4CNC4)c4ncnc(N)c34)ccc2c1 1857616596 JGBKZDBBHGWUNI-UHFFFAOYSA-N 374.448 2.847 0 1 FFAF O[C@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 1729381 DIYWRNLYKJKHAM-SIFCLUCFSA-N 356.374 2.510 0 1 FFAF endogenous,in-man Cn1c(CO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2F)nc2ccccc21 2356298767 AGCPBIPZUKESFH-MAUKXSAKSA-N 353.397 2.953 0 1 FFAF C[C@H](NC(=O)COc1ccccc1)c1onc(-c2cccnc2)c1C(=O)O 2356302222 PBQIKBIMTBCQNU-LBPRGKRZSA-N 367.361 2.691 0 1 FFAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C(=O)OC)C[C@@H](O)CCC1=O 2356347465 SMSSMOBWKOFJTJ-JXFKEZNVSA-N 366.454 2.886 0 1 FFAF COc1ccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@H]3C2)cc1 26169514 PLCZNYHLXWVWIC-LJQANCHMSA-N 350.418 2.667 0 1 FFAF C[C@H]1C=CC[C@H](COC(=O)C(C)(C)C)[C@H]1CC[C@@H](O)C[C@H](O)CC(=O)O 27560149 ZDGYEYUTPNFUFZ-BIVLZKPYSA-N 370.486 2.771 0 1 FFAF CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2C)CC1 28636172 UIAYDSCNHJXXHY-IBGZPJMESA-N 368.477 2.760 0 1 FFAF Cc1ccc(CNC[C@]2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 103264125 BUAVLZBGBXSSBR-VTYHHJSWSA-N 365.477 2.678 0 1 FFAF CC(=O)c1ccc(OCCCOc2ccc(OCC(=O)O)cc2)cc1O 37866937 NOUNRUOWMZXJJP-UHFFFAOYSA-N 360.362 2.906 0 1 FFAF CN1CCN(c2ccc(-c3cnc(N)nc3-c3ccccc3O)cc2)CC1 71296615 SSGOXZZURAYZGL-UHFFFAOYSA-N 361.449 2.850 0 1 FFAF CNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cccnc3)cc2n1 45298675 ULDPAUYYMDRQGQ-UHFFFAOYSA-N 359.393 2.913 0 1 FFAF O=C(c1ccccc1)N1CC[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 199266627 RQQQVHLGTOJHIM-APWZRJJASA-N 370.474 2.612 0 3 FFAF COc1cccc(C2=C(c3cn(C)c4cc(F)ccc34)C(=O)NC2=O)c1 49047000 ARSCWVMYFYXWGC-UHFFFAOYSA-N 350.349 2.893 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 195392751 JOYKNBJATCNRQR-QINHECLXSA-N 374.400 2.790 0 1 FFAF CC(=O)Nc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1 142622073 ZZRAXLZGRQLFFU-UHFFFAOYSA-N 351.370 2.756 0 1 FFAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95794712 WBEDKPBPLNSMOM-CTNGQTDRSA-N 368.452 2.777 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587232850 BYFDLQACMXMTFU-JGVFFNPUSA-N 352.826 2.531 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)nc1 587867487 FZJDTLOFKLCGIM-UHFFFAOYSA-N 364.283 2.762 0 1 FFAF O=C(OCc1ccccc1)N1CC[C@@H](c2nnn3cnc4[nH]ccc4c23)C1 1772649167 ZKJPYVRULXZTRF-CQSZACIVSA-N 362.393 2.732 0 1 FFAF O=C(NCC(F)(F)F)[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772603459 XSNPAGAPAAYSAH-MGCOHNPYSA-N 366.347 2.558 0 1 FFAF Cc1nc2c(s1)CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2 169711713 CPHDKMLWZMGOEN-CYBMUJFWSA-N 356.455 2.612 0 1 FFAF O=C(N[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166931247 KHBANOIHNONROY-GOSISDBHSA-N 369.396 2.892 0 1 FFAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc(F)cc2F)[nH]1 1857553731 JCIIGFSBSSJVES-UHFFFAOYSA-N 351.744 2.975 0 1 FFAF O=C(O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O 604256 MQIUPPGRSIDEQN-UHFFFAOYSA-N 360.373 2.700 0 1 FFAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4043508 VPIMZLABNPTKTM-PKOBYXMFSA-N 371.437 2.590 0 1 FFAF C[C@]1(O)CCN(Cc2ccncc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288474 DZYCLQIUDITBAR-SJBKTWHCSA-N 365.477 2.674 0 1 FFAF CCN(C(=O)c1c(O)c2c3c(ccc2n(C)c1=O)OCO3)c1ccccc1 100817529 UODJYZJOKPIRKX-UHFFFAOYSA-N 366.373 2.640 0 1 FFAF COC(=O)C1=C(O)/C(=C\c2cc3c(cc2Br)OCO3)N=C1C 103540412 HRZVGFCDIZGJMY-XCVCLJGOSA-N 366.167 2.978 0 1 FFAF COc1ccc2sc(N3CCNC[C@H]3COc3cccnc3)nc2c1 114579450 SDUABLPTWFDAHS-ZDUSSCGKSA-N 356.451 2.557 0 1 FFAF COCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 61905590 BEQBKRSWCKJHMH-AWEZNQCLSA-N 360.479 2.906 0 3 FFAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356305910 SERBDVPJCHKGDF-OLZOCXBDSA-N 359.401 2.594 0 1 FFAF CN1c2ccccc2N(C(=O)CNC(C)(C)C)c2ccccc2S1(=O)=O 28765594 AQDWGHBKWAIELG-UHFFFAOYSA-N 373.478 2.878 0 1 FFAF COc1ccc(-c2cc(CO)n(C[C@@H](O)c3ccc(OC)cc3)n2)cc1 66166624 OKIKTIZSCFCIIO-HXUWFJFHSA-N 354.406 2.793 0 1 FFAF O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@H]1C(=O)c1ccccc1 110929165 YCEIAWVKMIIBCY-RBUKOAKNSA-N 371.396 2.628 0 1 FFAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H](O)[C@@]1(O)C2=O 2356505775 PEWPCEZVXROTHG-JDMARGCISA-N 350.411 2.553 0 1 FFAF CC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1 71316431 XOVOMIOHGLZGJN-UHFFFAOYSA-N 374.408 2.803 0 1 FFAF CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196318 ZKQGLIUXAQKUOE-LBPRGKRZSA-N 368.437 2.843 0 1 FFAF CCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195064177 XXYXPBFLSNTPKS-MJZPSCMNSA-N 369.461 2.529 0 1 FFAF CNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82131750 PAJLBJGDGAUTJN-MRXNPFEDSA-N 368.437 2.859 0 1 FFAF Cc1nn(-c2ccccc2)c2cc(N3CC[C@@H](N4CCNCC4)C3)ccc12 147351270 JFNRGKDBJMDDEB-HXUWFJFHSA-N 361.493 2.818 0 1 FFAF CC(=O)Nc1noc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc12 142642550 CNQKNJPDKJSVSK-UHFFFAOYSA-N 351.370 2.756 0 1 FFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893457 HFPOQAGPQUDQGY-AQNXPRMDSA-N 357.498 2.945 0 1 FFAF COc1nccc2c1C(c1ccc(C(=O)N3CCOCC3)c(Cl)c1)=NC2 96176004 MVMDYNMFBYQQQF-UHFFFAOYSA-N 371.824 2.567 0 1 FFAF C[C@]1(c2ncc(CN(CC(=O)O)Cc3ccccc3)cn2)CCCCO1 299850458 HKFUXQFMSVJDHH-HXUWFJFHSA-N 355.438 2.979 0 1 FFAF CCCCOc1c(NCCNc2cc(OC)cc3cccnc23)c(=O)c1=O 653692012 DGESSWWROPVBGR-UHFFFAOYSA-N 369.421 2.542 0 1 FFAF Cn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N 587582595 QCFRBDJIWDZUJZ-KXBFYZLASA-N 351.362 2.585 0 1 FFAF CCN(CC)c1ccc(-c2nn(CCO)c(=O)c3ccccc23)c(O)c1 587665594 SQNVWTUWSLPOEV-UHFFFAOYSA-N 353.422 2.608 0 1 FFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Cl)c2[nH]1 586959943 UCROWDOQBRNJJK-OAHLLOKOSA-N 351.815 2.685 0 1 FFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)n1 587080593 WXLXLXUJDSZTCJ-MRVPVSSYSA-N 353.835 2.698 0 1 FFAF COc1ccc(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c1 587928514 IAODUUSIDHGUKF-UHFFFAOYSA-N 364.409 2.731 0 1 FFAF Cc1c(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cnn1C 11712448 VFOZAPOEPCTQPO-UHFFFAOYSA-N 352.394 2.671 0 1 FFAF O=C(Cc1ccccn1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 12387807 JHLZFZFMVNLURA-HXUWFJFHSA-N 364.493 2.780 0 1 FFAF C/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 14589654 RRPAUYJABCIHOM-LSTMSBHUSA-N 350.367 2.926 0 1 FFAF O=c1c(Cl)c(Cl)cnn1C[C@@H]1CN1Cc1ccnc2ccccc12 169328811 GVKFUXHFCRZTDK-BJDAYTSDSA-N 361.232 2.983 0 1 FFAF O=C(NCc1ccccc1F)[C@@H]1c2ccccc2CC(=O)N1CC1CC1 1857545181 NZYITNACBRISGU-FQEVSTJZSA-N 352.409 2.978 0 1 FFAF O=C(O)CCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2Cl)o1 1857590542 BFJBSUAICXEJSQ-UHFFFAOYSA-N 365.194 2.682 0 1 FFAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 2487219 JWTUUROJHZVMOV-QGZVFWFLSA-N 364.486 2.681 0 1 FFAF CCCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1CCCOC 4878218 QALQETXRGNVLAF-CQSZACIVSA-N 354.520 2.760 0 3 FFAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2ccccn2)cc1 2356515948 GOLJKUAVHUXEBN-NSHDSACASA-N 367.361 2.934 0 1 FFAF O=C(NCCCO)[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26509036 QAZJFVWJXZJTMB-UXHICEINSA-N 369.461 2.678 0 1 FFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCCCC3)C[C@H](O)[C@H]2CO)n1 2356741185 SFFIYDYBLKAOFA-OKYOBFRVSA-N 361.530 2.597 0 1 FFAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2n1 38278803 MVWCJZHWFGCEHO-GOSISDBHSA-N 352.438 2.531 0 1 FFAF CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Br)cc23)C1 73166677 MDJLWICNNSCSKS-SECBINFHSA-N 362.231 2.519 0 1 FFAF CC[C@@H](C)C(=O)OC[C@@](O)(COC(=O)C(C)C)c1ccc(C)cc1O 14588675 IHCGYZLHGZMPTF-KUHUBIRLSA-N 352.427 2.677 0 1 FFAF biogenic O=C(Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1)N1CCCC1 40393570 TYVAUJDHKZVDDN-UHFFFAOYSA-N 359.329 2.708 0 1 FFAF CC1(C)Oc2cc3oc(-c4ccccc4)c(O)c(=O)c3c(O)c2C[C@@H]1O 95554633 FORZKFDSRRLEKM-AWEZNQCLSA-N 354.358 2.946 0 1 FFAF biogenic O=C(c1ccccc1)c1sc(N2CCOCC2)nc1Br 96907303 DLHVAHGNRNOAQY-UHFFFAOYSA-N 353.241 2.973 0 1 FFAF C[C@]1(O)O[C@]23CC[C@H]1[C@@]2(C(=O)O)CC[C@H]1[C@H]3CC=C2C[C@@H](O)CC[C@@]21C 255211936 GFOKWOWCJVGEQX-JZSGDYNCSA-N 362.466 2.852 0 1 FFAF C[C@@H]1C(=O)N(C(=O)[C@H]2[C@@H](C)[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 254133152 UOZDCCIXXAQPLF-JDZKQYGKSA-N 370.449 2.673 0 1 FFAF Cn1cc(O)c(=O)cc1CNCCCNc1ccnc2cc(Cl)ccc12 299840500 XNIOCRQUHUNWMU-UHFFFAOYSA-N 372.856 2.884 0 1 FFAF COc1cc2c3c(c1)O[C@H](C1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]14)[C@@H](C2)C3=O 587444365 OJTBRPXTUAAIHH-MNUAXYBXSA-N 371.433 2.924 0 1 FFAF CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 587557262 HNOSGJAQYLVBRS-LJQANCHMSA-N 372.425 2.552 0 1 FFAF C/C(=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NCCO 587755045 LOAILVBYTDVGNR-WUGDXGSSSA-N 357.267 2.823 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1N(S(C)(=O)=O)CC3)O2 587408506 HBZJQTYKBZYIEW-QGZVFWFLSA-N 372.446 2.606 0 1 FFAF OC1(c2nc3c(S)nc(S)nc3[nH]2)CCC(C(F)(F)F)CC1 587126883 OEUOSZOVEZMMOZ-UHFFFAOYSA-N 350.391 2.870 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCNC2=O)N1 587790373 CNUAPJVVAZDFDX-ZYSBLVPFSA-N 355.251 2.864 0 1 FFAF O=C(O)c1cc(Br)cc2nc([C@H](O)c3cccc(O)c3)[nH]c12 586892020 QSFKYRJJRIRAEJ-CYBMUJFWSA-N 363.167 2.811 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425378 CFVRJZKXMFYTCW-SGTLLEGYSA-N 362.378 2.727 0 1 FFAF N=c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c[nH]1 586999840 DJVOEODUFVNZJO-NSHDSACASA-N 371.242 2.857 0 1 FFAF Cc1cc(F)c2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587203796 UKPKXLIBQDUDAB-OAHLLOKOSA-N 371.368 2.933 0 1 FFAF C=C(C(=O)O)c1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O 587938273 SVEXDIODBIHESW-UHFFFAOYSA-N 366.329 2.747 0 1 FFAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1C 587660476 FJAUZDUVWUEXJE-UHFFFAOYSA-N 362.364 2.933 0 1 FFAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587444040 RGIRBKZCGYYICU-AUUYWEPGSA-N 354.358 2.979 0 1 FFAF COc1ccoc1[C@@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638782 NPDVTNMRJREQQJ-NOZJJQNGSA-N 357.284 2.875 0 1 FFAF C[C@]1(c2ccc3oc(N)nc3c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230908 QUHJDXPIFKCGJF-LAUBAEHRSA-N 374.400 2.821 0 1 FFAF C[C@@H]1C(=O)OC=C[C@@]12c1cccc3c1C[C@@H](CNC(=O)OC(C)(C)C)N2C3 962630507 KAGSOCKOURORKR-CGSMKXTHSA-N 370.449 2.854 0 1 FFAF COc1cccc2c3c(cnc12)CCN[C@H]3C[C@@](C)(O)C1CCOCC1 963069555 SJCMLSBVKCZHCE-LAUBAEHRSA-N 356.466 2.998 0 1 FFAF CCOCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1851400 XSDOFGFKRPRVEC-UHFFFAOYSA-N 359.470 2.722 0 1 FFAF COc1cc2nc(NC3=NC[C@]4(CN5CCC4CC5)O3)sc2cc1OC 1772597099 HJUIQWYLMURDJZ-GOSISDBHSA-N 374.466 2.576 0 1 FFAF O=C(CCC1CCN(C2CSCCSC2)CC1)NC[C@H]1CCCO1 11841108 REZVOIHYNLDOFL-QGZVFWFLSA-N 372.600 2.622 0 1 FFAF O=S1(=O)c2cc(F)ccc2-c2ccc(N3CCN4CCC3CC4)cc21 169308795 TYQSTXACTJXVQJ-UHFFFAOYSA-N 358.438 2.923 0 1 FFAF O=C(c1cncc(F)c1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168077569 MFPOBUPGRRBHDF-UHFFFAOYSA-N 370.359 2.791 0 1 FFAF CN(C)C(=O)Oc1cccc2c1cc(C(=O)Nc1ccccc1)c[n+]2C 1857538686 DJGQKHHVVMWQAU-UHFFFAOYSA-O 350.398 2.977 0 1 FFAF CC(C)Cn1c2c(c(O)nc1=O)[C@@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 103635663 KBWJRBXBQOZOKP-ZDUSSCGKSA-N 371.368 2.762 0 1 FFAF NS(=O)(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1 103270364 YNLOXUUJKODKTM-UHFFFAOYSA-N 366.855 2.898 0 1 FFAF CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3)c(F)c2)C(=O)O1 27413242 FQQQPNDIJOYCRM-KRWDZBQOSA-N 369.396 2.807 0 1 FFAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)OCCCO[N+](=O)[O-])O2 28876864 IZFMQGLXSDIVDC-KRWDZBQOSA-N 353.371 2.543 0 1 FFAF O=C1O[C@H](Cc2cccc(C(=O)O)c2)C(c2cccc(C(=O)O)c2)=C1O 2356735180 ATAVEPUKLJDITJ-CQSZACIVSA-N 354.314 2.520 0 1 FFAF Cc1cc(O)c2c(c1Cl)[C@@]1(OC2=O)Oc2cccc(C(=O)O)c2C1=O 2356868446 XBSPICXSAXOFOV-KRWDZBQOSA-N 360.705 2.651 0 1 FFAF COc1cc(C[C@H]2COC[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 35982709 VVVNSDLMCOLBCY-GJZGRUSLSA-N 358.390 2.803 0 1 FFAF CCCNCC(=O)Nc1ccc([C@H]2NC(=O)[C@@H](C)c3ccccc32)cc1 33823670 RQORVHNEKKGADI-VBKZILBWSA-N 351.450 2.947 0 1 FFAF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C[C@@H]2C=C[C@H]1C2 34172218 JCBOOAVKBRDYMB-FYQPLNBISA-N 370.493 2.562 0 1 FFAF CC(C)c1nc(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)no1 72419591 MKYCMNXXGNEFQX-UHFFFAOYSA-N 355.398 2.623 0 1 FFAF CO[C@H]1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CC1(C)C 144329708 QRCXJTCUOWYLCL-INIZCTEOSA-N 357.360 2.542 0 1 FFAF COc1cc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)ccc1O 96909333 KURASNNMCFLVQC-UHFFFAOYSA-N 354.358 2.934 0 1 FFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1 144704526 JSYKEHXHVCQXML-GOSISDBHSA-N 363.335 2.530 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@@H]1C=CC[C@]23O 238737881 WUBXYSOSMBAKEM-FOQSWYGASA-N 358.390 2.534 0 1 FFAF CC1=NO[C@@H](CNC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1 261116366 IVQNQVKGKQQMLQ-CYBMUJFWSA-N 365.397 2.615 0 1 FFAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429374 BUBKWISSIQCCPW-VLIAUNLRSA-N 355.390 2.873 0 1 FFAF CCOC(=O)c1csc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587452051 QGLQDNBXRUXAHM-ADLMAVQZSA-N 359.403 2.991 0 1 FFAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587238591 DINKUZXPGVKYOL-UHFFFAOYSA-N 364.453 2.781 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)CC1(CN(C(=O)OCc3ccccc3)C1)O2 587393200 GQTNCWBUMPPDCU-UHFFFAOYSA-N 352.390 2.934 0 1 FFAF Cc1nn(C)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584314 ZQNKKYVLYDBPBH-CRAIPNDOSA-N 351.362 2.719 0 1 FFAF C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580263 BHXAWGJSZZUHHI-CBLJQSSYSA-N 351.358 2.509 0 1 FFAF COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 587150971 WOPHNEALACMBJF-LLVKDONJSA-N 358.348 2.761 0 1 FFAF COC(=O)c1cc2nc(-c3cccnc3SCC(=O)O)[nH]c2cc1OC 586969077 SIAMMUZETLLUQO-UHFFFAOYSA-N 373.390 2.597 0 1 FFAF O[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[C@H]1N1CCCCCC1 11818639 JDSXIMIGDRPHME-NHCUHLMSSA-N 354.498 2.684 0 1 FFAF Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Br 14974604 OVYYPFLCPREVTJ-UHFFFAOYSA-N 367.638 2.885 0 1 FFAF CC(C)(C)C(=O)NC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2)c1O 169691166 MIHKCTSWHSBRNT-XCLFUZPHSA-N 354.406 2.887 0 1 FFAF Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 164910837 CKHPZMGWWRIKOE-ZDUSSCGKSA-N 373.526 2.766 0 1 FFAF CCCNC(=O)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 1857561838 YJGZLWGHYHDFEN-AWEZNQCLSA-N 373.453 2.701 0 1 FFAF O=C1COc2ccc(C(=O)N3c4ccc(Cl)cc4C[C@@H]3CCO)cc2N1 1857562971 RNFNFRANQNBNSW-AWEZNQCLSA-N 372.808 2.625 0 1 FFAF CC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@@H]3CO)nc21 3952305 AYNMLENGSDFFOL-MRXNPFEDSA-N 366.469 2.980 0 1 FFAF N[C@H](C1CCCCC1)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27985995 ABXBCVWIDFNIFI-CVEARBPZSA-N 359.297 2.921 0 1 FFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(Cc3ccccc3)ccnc21 27705972 HREWYTQCVRLKBH-UHFFFAOYSA-N 357.413 2.734 0 1 FFAF O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCCn1ccnc1 26388784 VPSPPYOHUVONNE-UHFFFAOYSA-N 366.343 2.776 0 1 FFAF COc1ccc(OC[C@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29484587 HIBWPNXNPBVABM-LJQANCHMSA-N 356.466 2.647 0 1 FFAF Cn1ncc(N2CCC(CNC3CC(c4ccccc4)C3)CC2)cc1=O 23128581 OCWDZVPZFPCKLG-UHFFFAOYSA-N 352.482 2.533 0 1 FFAF CC[C@@H](C)C(=O)C(=O)NCCn1c(-c2ccccc2)[n+](C)c2ccccc21 29470099 GTJAGPSIVCMDOY-MRXNPFEDSA-O 364.469 2.864 0 1 FFAF COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@H]([C@H](O)CO)OC2 66167276 IVJQHPFJFSRCHY-ZKXJTTJSSA-N 356.418 2.753 0 1 FFAF C[C@H](O)[C@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([C@@H](C)O)C3)cc2)C1 29550074 KNEWNBNAHYOQNG-VVIORFSUSA-N 360.542 2.872 0 1 FFAF CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(=O)O)c2n1 66100317 BZGYKXPDINZMSN-UHFFFAOYSA-N 372.429 2.742 0 1 FFAF C[C@@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)CC1CCCC1 61908212 VTMBANFDELQMKB-FQEVSTJZSA-N 358.438 2.603 0 3 FFAF COC(=O)C1=NN(c2ccccc2)C2=CN=C3NC(c4ccccc4)=C[C@@H]3N21 73155977 VYKDCFWDCIPFQP-KRWDZBQOSA-N 371.400 2.519 0 1 FFAF C/C=C\C1=Cc2ccccc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC 73072943 KIFSNTZKPAYVOZ-SBSDFTTDSA-N 359.378 2.689 0 1 FFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 473150208 LISXDUQJNICNAT-LZJOCLMNSA-N 365.385 2.577 0 1 FFAF CCOC(=O)Cc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586963024 WSJBOKKQFPJQCM-VIFPVBQESA-N 373.438 2.600 0 1 FFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2N1 587125649 SHIYNKBEZRFIOB-WRWORJQWSA-N 364.331 2.833 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(F)cnc(Br)c2[nH]1 587095123 YEFMWNLEELMIIU-SCSAIBSYSA-N 369.116 2.989 0 1 FFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)cc2[nH]1 586960533 ZLTLUCKTXAUSPA-HNNXBMFYSA-N 351.815 2.685 0 1 FFAF CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447365 VUYSXYHJEIPUTG-AWEZNQCLSA-N 368.861 2.856 0 1 FFAF O=C(NC1CC1)C1=C[C@@H](c2c[nH]c3ccccc23)C[C@@H](OCCCCO)O1 13657367 QYVUOYZSVCUIOS-VLIAUNLRSA-N 370.449 2.950 0 3 FFAF Cn1c(=O)c(Nc2ccc(C(=O)Nc3ccon3)cc2)nc2ccccc21 13982624 IMWUFTOZSQRFON-UHFFFAOYSA-N 361.361 2.917 0 1 FFAF COC(=O)/C=C/c1ccc2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)cc1)O2 6006627 OHPHDTVMEYVQCA-NSEXEMKPSA-N 354.358 2.969 0 1 FFAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2=O 6484697 YMHBIMMCQPKHPJ-MOPGFXCFSA-N 360.362 2.749 0 1 FFAF CC=C(C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)O[C@H](C(C)(C)O)C3 2356427874 PWBQERDUTAUICC-INIZCTEOSA-N 374.389 2.582 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@@H](O)C=Cc1ccc(O)cc1)[C@H](O)CC2 2356432716 KAYRJPGARKNUEX-WAOWUJCRSA-N 356.418 2.874 0 1 FFAF CC(=O)O[C@@H]1C[C@H]2[C@H](C)[C@H](OC(C)=O)CC(=C(C)COC=O)[C@H]2C=C1C 2356598834 CGWKVECDFVHISA-NIOVVQFOSA-N 364.438 2.962 0 1 FFAF CN(CC[C@@H]1CN(C(=O)c2ccno2)CC[C@@H]1CC(=O)O)c1ccccc1 2356814337 CAKJYGVHEYUTOE-HZPDHXFCSA-N 371.437 2.754 0 1 FFAF O=C1C2=c3[nH]c4cc(Br)ccc4c3=CCN2c2ccccc21 2356839534 LVKQJAQNGFBPBY-UHFFFAOYSA-N 351.203 2.536 0 1 FFAF Cc1cccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)c1 35279665 JLKHMSUYQUHJJS-UHFFFAOYSA-N 370.478 2.868 0 1 FFAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1C1=C(Cl)c2ccccc2OC1 1911576558 LEYCLMJVTHBZIK-OAHLLOKOSA-N 364.781 2.808 0 1 FFAF CNc1nc2cnc(Nc3ccc(OC)c(OC)c3)cc2n1CCOC 82083015 MFIHAEMGUKNUPP-UHFFFAOYSA-N 357.414 2.880 0 1 FFAF COc1ccc2c(c1OC)C=[N+]1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 238739660 WKHHUUHBLCUHDN-HNNXBMFYSA-N 368.409 2.726 0 1 FFAF CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F 299839926 TZSIHWMJWFXHPV-UHFFFAOYSA-N 355.406 2.577 0 1 FFAF CNc1ncc(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)c(CC2CC2)n1 653740452 NRAHNTZNUUEGAH-HDJSIYSDSA-N 354.458 2.643 0 1 FFAF Cc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1cccnc1 653677677 VEBUKNYMVIOHDY-UHFFFAOYSA-N 360.373 2.831 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1c(N)ccc(OC)c1OC)[C@@H](C2)C3=O 587432384 LFLSYMRHAJUKKX-YUNKPMOVSA-N 355.390 2.957 0 1 FFAF Cn1nccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655922 DMYIDGZTGCLBEW-UHFFFAOYSA-N 366.327 2.764 0 1 FFAF CCn1nccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587870040 SYPITHGMNWCJSX-UHFFFAOYSA-N 365.315 2.877 0 1 FFAF COCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790317 FVUFZWBGUHNDKW-QFYYESIMSA-N 374.250 2.917 0 1 FFAF CC[C@@H](C)n1ncc(I)c1-c1nc2ncc[nH]c-2n1 587180301 GJWWUVHOBCUWRQ-SSDOTTSWSA-N 368.182 2.744 0 1 FFAF c1coc(CN2CCc3sccc3[C@@]2(CN2CCNCC2)C2CC2)c1 962720535 ZTXLQEZCOXNBEK-HXUWFJFHSA-N 357.523 2.910 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CC1OCCO1)c1ccco1 963604671 DXOGSYVTFLCTTH-RBZFPXEDSA-N 359.422 2.838 0 1 FFAF Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(NC(=N)N)cc3)ccc12 1772588571 DSXYQDDUDKTHDL-UHFFFAOYSA-N 350.378 2.588 0 1 FFAF Cc1ccc(-c2ccc(C(=O)N[C@@H](CN)c3ncc(CO)s3)[nH]2)cc1F 1772609461 NRGUFSUZRVPWQZ-INIZCTEOSA-N 374.441 2.508 0 1 FFAF CN1c2ccsc2C(=O)[C@H](/C(S)=N/c2ccccc2)S1(=O)=O 17526000 LVGVPWQVNRUEHB-CYBMUJFWSA-N 352.462 2.739 0 1 FFAF COc1cc(OC)cc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726079 FZVGEJMLVMKKAZ-HOTGVXAUSA-N 352.415 2.935 0 1 FFAF CNC(=O)c1sc(N2C[C@H]3C[C@H]2CO3)cc1OCCc1ccccc1 1857642466 JQHMYDKRDRXLNM-LSDHHAIUSA-N 358.463 2.707 0 1 FFAF O=C1CCc2cc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc(O)c21 1857646088 AIHAERGWJRICAS-CYBMUJFWSA-N 357.337 2.645 0 1 FFAF CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204806 HYHDIQKLLBSXLB-SMDDNHRTSA-N 354.838 2.947 0 1 FFAF CC(C)CNC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 21639040 VWJNCGVZXUZRLN-UHFFFAOYSA-N 367.858 2.922 0 1 FFAF CN1CCN(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1 22934055 RFZOLFWPOCFJJB-HXUWFJFHSA-N 350.462 2.536 0 1 FFAF COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C(=O)O 2356664461 VURGZLDGPWHDST-ONJUXYOISA-N 362.466 2.854 0 1 FFAF CCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1CC 2356816963 DFVLTSKUBDWYEV-CVEARBPZSA-N 352.500 2.640 0 1 FFAF Cc1ccc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)c(C)c1 72110405 QAFYSPUGUYPYOV-UHFFFAOYSA-N 360.435 2.991 0 1 FFAF NC1=N[C@@H](C2CCCCC2)NC(NCCCOc2ccc(Cl)cc2)=N1 71281236 VNHKPJQCTHHUIF-MRXNPFEDSA-N 363.893 2.879 0 1 FFAF CCCc1nc2c(NCC(C)C)ncnc2n1CCCN1CCCC1=O 82178152 KHFWLELTLAHAQT-UHFFFAOYSA-N 358.490 2.859 0 1 FFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1 144718433 MGWLMLAJIWEVCJ-GOSISDBHSA-N 363.335 2.938 0 1 FFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=O)N=C(N)[C@H]32)cc1 253917684 JOYKNBJATCNRQR-JXXFODFXSA-N 374.400 2.790 0 1 FFAF COc1c(C[C@@H]2c3cc4c(cc3CCN2C)OCO4)ccc2c1OCO2 38288464 XKWJDLVBBYZLBF-OAHLLOKOSA-N 355.390 2.924 0 1 FFAF biogenic CCn1cc(Br)c(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)n1 586999943 GCLPZLLAROYWII-AWEZNQCLSA-N 363.219 2.856 0 1 FFAF COC(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2n1 587233035 IDRGWJGYUVUHCZ-QWRGUYRKSA-N 360.414 2.905 0 1 FFAF Clc1ccc(C2=C[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)ON2)cc1 587074995 ATBJZABQQVPDQC-MRXNPFEDSA-N 365.784 2.809 0 1 FFAF COCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790316 FVUFZWBGUHNDKW-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 587216674 JBLKSNNZBBKNCU-INIZCTEOSA-N 373.434 2.538 0 1 FFAF O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)(F)F 587369061 SLAGOAAVRBSSAB-UHFFFAOYSA-N 350.256 2.604 0 1 FFAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1F)(c1nccn1C)NCC2 962925269 YNJUTEYSAOZCAS-FQEVSTJZSA-N 353.445 2.854 0 1 FFAF COCC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 12719100 CBSHANBHKOSSCM-QGZVFWFLSA-N 350.503 2.833 0 3 FFAF Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 1857603383 YBZVDNCTFDEZJA-UXBLZVDNSA-N 373.430 2.675 0 1 FFAF N#CN1CCC[C@@](F)(C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)C1 1857612206 XENQDMHLRQRNNF-KRWDZBQOSA-N 370.413 2.910 0 1 FFAF Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C 1857763408 BJHFEXZSRFMCIE-CYBMUJFWSA-N 367.453 2.623 0 1 FFAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)s1 142490780 LFVBPBWMEWDRAV-BEFAXECRSA-N 365.458 2.853 0 1 FFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC 4152397 LTQHZLOFQMWPTR-YJLNNSPDSA-N 372.421 2.657 0 1 FFAF COc1cc([C@H]2OC[C@@H]3[C@@H]2C(=O)O[C@H]3c2ccc3c(c2)OCO3)ccc1O 6453823 ADTULSGZUFJGNI-NVAWSTJUSA-N 370.357 2.731 0 1 FFAF Cc1c(N2C[C@@H](C)O[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 27518173 CJUOVSIYAKUZJX-GHMZBOCLSA-N 371.437 2.539 0 1 FFAF c1cc(CN2CCOCC2)cc(-c2cnc3cnc(-c4cn[nH]c4)cn23)c1 103215333 WKDZILDTJKBFQU-UHFFFAOYSA-N 360.421 2.619 0 1 FFAF CC[C@H](C)C(=O)NC(=O)c1coc([C@@H](OC(C)=O)c2ccccc2)cc1=O 2356787072 TYALAHHUSALVLR-SGTLLEGYSA-N 371.389 2.595 0 1 FFAF CCc1cnc(N2CCN(Cc3cc(F)ccc3-c3cn[nH]c3)CC2)nc1 66080436 UJTDHFJJKQHTJH-UHFFFAOYSA-N 366.444 2.890 0 1 FFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61905355 DWNDWCDIXOJSFW-KRWDZBQOSA-N 372.387 2.710 0 3 FFAF COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82153009 QGKAFUUKWOQMBF-UHFFFAOYSA-N 372.444 2.895 0 1 FFAF NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1 84605317 IFRUMWOKOKWYRB-UHFFFAOYSA-N 374.857 2.686 0 1 FFAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)co2)cc1 82070809 NKNJQKWDHPEIRO-OAHLLOKOSA-N 373.453 2.653 0 1 FFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3F)cc2)CC1 96172304 LZFRWXLRNSUUGF-CTNGQTDRSA-N 367.468 2.712 0 1 FFAF O=C(C(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1 95604553 ITPIQGIASAFSFE-UHFFFAOYSA-N 373.250 2.981 0 3 FFAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(C)(OC)C2)n1 653679383 QIROXJISGBCKAU-UHFFFAOYSA-N 365.384 2.510 0 1 FFAF COc1ccc(-c2nc3c(N)ccnc3[nH]2)c(I)c1 587179633 CVEHMVWKPSYOHS-UHFFFAOYSA-N 366.162 2.820 0 1 FFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c[nH]1 587061604 WEBWPFBGQUWSCP-UHFFFAOYSA-N 371.813 2.537 0 1 FFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587232318 WQTQTSWQDCWXBW-KBPBESRZSA-N 373.453 2.761 0 1 FFAF C[C@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587153897 BENHLZBDENATDV-GOSISDBHSA-N 373.409 2.897 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(O)nc(O)n1 587863141 RXCZDINNCNNZDB-UHFFFAOYSA-N 352.272 2.768 0 1 FFAF Clc1ncnc2[nH]c(-c3cncc(I)c3)nc12 587185828 XZZVRAXAUQQURU-UHFFFAOYSA-N 357.542 2.673 0 1 FFAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=N)N)cc2[nH]1)C[C@@H]1CCCO1 587196967 DQNUWMFKQAQGMR-ZDUSSCGKSA-N 373.457 2.763 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(Cl)ncc2[nH]1 587566314 GHJZRFNYBYQVQR-UHFFFAOYSA-N 355.822 2.530 0 1 FFAF COc1ccc2c(c1)[C@@H](C1=C(C)N=C3N=CNN3[C@H]1C)N(C(C)C)CC2 962090421 KYGJBXNTEQRYDW-LIRRHRJNSA-N 353.470 2.883 0 1 FFAF COc1cc(C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)c(O)cc1O 13539008 SHIUJCRFHIXGCI-UHFFFAOYSA-N 360.362 2.963 0 1 FFAF C[C@]1(CC(=O)O)c2ccc(OC(F)(F)F)cc2-c2nc(O)c(O)nc21 13558313 OVTYRSXQQLOYOY-AWEZNQCLSA-N 356.256 2.548 0 1 FFAF NC1=N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1COCC[C@@H]12 168725412 BGRWOLNAPSRJIS-FNHZYXHNSA-N 371.824 2.740 0 1 FFAF Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nnn(CC(=O)O)n2)cc1 1857559134 PCOFCZKKVKTLEN-UHFFFAOYSA-N 360.377 2.586 0 1 FFAF Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@H]3N)cc3c2C(=O)NCC3)c1 1857574020 MCKWNSLSBBIMNO-SJORKVTESA-N 365.481 2.523 0 1 FFAF COc1cccc(CCN[C@H](CO)c2ccc(O)c3nc(O)ccc23)c1 1857770082 YCKZXQWAUYNOTL-QGZVFWFLSA-N 354.406 2.520 0 1 FFAF CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1 920423 RDYJAMAFSMVSCM-UHFFFAOYSA-N 364.405 2.692 0 3 FFAF Cc1cc2c(cc1C)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccccc1)[n+]2[O-] 1663402 PZDDPPQVVOLKQK-UHFFFAOYSA-N 362.307 2.973 0 1 FFAF CC1=C[C@H]2C=C(C)[C@H](C)[C@H]3[C@@H](CC(C)C)NC(=O)[C@@]23[C@@]2(O)C[C@@H](O)C[C@@H]12 2356328683 YRFACIIPVMVLPW-CCTVBGCASA-N 359.510 2.808 0 1 FFAF CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc21 4969137 LJVMOWDCTMATCW-XJKSGUPXSA-N 350.484 2.843 0 1 FFAF COc1ncccc1CNC[C@@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 2356299743 NWBHDJYXVWEIIG-GOSISDBHSA-N 364.449 2.951 0 1 FFAF CCN1CCCC[C@@H](NC(=O)c2cc3nnn(C(C)C)c3cc2OC)C1 29570067 DYTLRAFIXKZLJB-CQSZACIVSA-N 359.474 2.625 0 1 FFAF COc1nccc2[nH]nc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)c12 114772948 NQZQTTIBSUIKNW-UHFFFAOYSA-N 372.812 2.759 0 1 FFAF COc1ccc(S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938140 KYZSAIKOCXDHKT-ICSRJNTNSA-N 374.506 2.682 0 1 FFAF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 14710245 UHOKSUGCIDKRQZ-TWILYEHCSA-N 356.466 2.895 0 1 FFAF biogenic CN(C)c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 34136723 IJYFQAUVWBRZIV-LEWJYISDSA-N 364.493 2.583 0 1 FFAF COCc1c(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)noc1C 72133173 WORYELQAKMLUBO-QGZVFWFLSA-N 357.454 2.866 0 1 FFAF O=C(NC12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2)NC12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2 1911583109 XNHXFTNBQCLCDR-PNGDVXIPSA-N 356.466 2.581 0 1 FFAF COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1OC1CC1 49033399 FQYHBJSDSWBZOW-YRNVUSSQSA-N 352.390 2.987 0 1 FFAF Cn1c(SC[C@H](O)CO)nc(-c2ccc(F)cc2)c1-c1ccncc1 40866349 QMSCAASWXAIQKP-OAHLLOKOSA-N 359.426 2.734 0 1 FFAF Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1 195338163 FDKJSJGIAQCACZ-UDCWSGSHSA-N 365.429 2.652 0 1 FFAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCCCC2)C1 140132746 CTEJNTPNKSPWKX-UHFFFAOYSA-N 362.437 2.583 0 1 FFAF Cc1nnc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)o1 261102290 GPDCFLSYOJXISU-FMGDLQRFSA-N 366.393 2.691 0 1 FFAF CS(=O)(=O)c1ccc(CN2CC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 51076724 UNCWZFPXTXUCEP-OAHLLOKOSA-N 355.463 2.956 0 1 FFAF biogenic CCOc1nn(-c2ncc(CC)cn2)c(C)c1I 299871713 ZBERAHDIQQGOKX-UHFFFAOYSA-N 358.183 2.536 0 1 FFAF COc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587234538 OOYCGNADVGDFNK-UHFFFAOYSA-N 360.414 2.830 0 1 FFAF Cc1nc(=N)[nH]cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747042 OSVRVQMUJQPGAG-VPTHRUTESA-N 365.250 2.897 0 1 FFAF CCN=c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587753690 HVQGKIAAOGZBQN-RFAUZJTJSA-N 365.250 2.856 0 1 FFAF Cn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2c1=O 587875155 GSYHIIWFSZBGAH-UHFFFAOYSA-N 362.320 2.730 0 1 FFAF COC[C@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755971 CEPLZZIOVAGXAO-MGPLVRAMSA-N 368.250 2.746 0 1 FFAF O=C(O)CSc1ncccc1-c1nc2c(Br)nccc2[nH]1 586967223 RCBZFUWJBRDEGJ-UHFFFAOYSA-N 365.212 2.959 0 1 FFAF CC(=O)NC1(c2nc3nc(Br)c[nH]c-3n2)CCC(C)CC1 587234516 OFXZVZWNAULWFD-UHFFFAOYSA-N 352.236 2.609 0 1 FFAF CC(C)c1ccc([C@@]2(O)CCc3nc4nc(O)nc(O)c4cc3C2)cc1 587561508 SBVCONWIHWAFMB-HXUWFJFHSA-N 351.406 2.936 0 1 FFAF N=c1[nH]ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587017313 KZYDMQZKCXRZOE-UHFFFAOYSA-N 365.418 2.856 0 1 FFAF CC1=C(c2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)NNC(=O)C1 587244577 PTOLTGSFVBHSQB-KTKRTIGZSA-N 373.416 2.970 0 1 FFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc3ccccn3n2)N1 962976745 OFYLTOZMQNUHNZ-XJKSGUPXSA-N 363.751 2.954 0 1 FFAF COc1ccc(C[C@H]2COc3c(C)c(OC)c(C=O)c(O)c3C2=O)cc1 13327539 BOLJCTQPTZJTBQ-ZDUSSCGKSA-N 356.374 2.964 0 1 FFAF biogenic CCCn1c(=O)cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731406 XOUOEUATRAFRCX-MQVJKMGUSA-N 353.466 2.767 0 1 FFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169295304 ZGINMMAZDQRTDJ-ZWYGMHHESA-N 353.462 2.960 0 1 FFAF CCCc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC 169328569 ITYNHVFRTVFAMY-UHFFFAOYSA-N 374.462 2.934 0 1 FFAF Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](O)CCN2C3=O)n1 118083094 WRGCIIZAMUATHO-DOMZBBRYSA-N 352.394 2.686 0 1 FFAF COC(=O)[C@H](CO)[C@@H](O)CCCC[C@H](C)CC(C)=CC(C)=CC(=O)O 2356711379 WKPLWDFQTVJLIX-XKQJLSEDSA-N 356.459 2.693 0 1 FFAF COc1ccc(C=CC(=O)NCCCCC(=O)O)cc1Br 2356796192 MYLDQRMKMYARSW-UHFFFAOYSA-N 356.216 2.842 0 1 FFAF Cc1cc(Nc2nn(C(C)C)c(=O)c3ccc(N4CCOCC4)cc23)n[nH]1 34612217 SCEZRTKACKYOHE-UHFFFAOYSA-N 368.441 2.589 0 1 FFAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(F)ccc1F 40938127 ZIYTUSSWQZSCKL-UHFFFAOYSA-N 362.357 2.974 0 1 FFAF CCOC(=O)c1cc2ccc3c(C(=O)OCC)n(C)c(C)c3c2oc1=O 40915715 XXJOBPSRXKWGPY-UHFFFAOYSA-N 357.362 2.947 0 1 FFAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 149359528 UWKRYKVCCZEOQP-AWEZNQCLSA-N 359.170 2.797 0 1 FFAF C[C@@H](c1ccccc1)n1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12 95587568 XOILFTDAJVOQGJ-INIZCTEOSA-N 373.460 2.668 0 1 FFAF Cn1cccnc1=NCCCCCCCCCCN=c1ncccn1C 377605754 DJVSHVQOHCOKOT-UHFFFAOYSA-N 356.518 2.776 0 1 FFAF CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@@H]32)cc1 36363454 IBWAXUTWMYRZKV-CIAFKFPVSA-N 368.477 2.594 0 1 FFAF biogenic CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](O)[C@H]1c1ccc(C)cc1 653883156 RMNQJZHCXIMRHQ-AQNXPRMDSA-N 367.445 2.661 0 1 FFAF CC(=O)Nc1cccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587241822 BDANIEYAPDGIHZ-UHFFFAOYSA-N 363.465 2.864 0 1 FFAF FC(F)(F)COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccn1 587091029 FIDJPMBUAIWYSW-UHFFFAOYSA-N 359.358 2.933 0 1 FFAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895636 QTGJWUBTZZUSIU-UHFFFAOYSA-N 359.451 2.801 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CCC(=O)O)C(=O)C1)CC2=O 587481880 YAUSUSLUYUQZRM-FQEVSTJZSA-N 373.405 2.660 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nn2)N1 587793132 JWYFVBZVVKDHAW-VXJOIVPMSA-N 352.207 2.882 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncnn2C)(C2CC2)N1 587756022 CMXTVSMHSZDPNG-JDNHERCYSA-N 365.250 2.905 0 1 FFAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N 587552307 PWAKUVMRHPZYLT-MLGOLLRUSA-N 371.780 2.895 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587441399 SQXZQBCBEUFFLL-GIMINZRKSA-N 363.413 2.703 0 1 FFAF C[C@@H]1CC(=O)[C@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@@H]1C 962694726 HQMYYQKFAQIOPW-JVOAHATLSA-N 359.319 2.884 0 1 FFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C)N([C@@H](C)C(=O)O)C(=O)C2)N1 962941906 FLDJUFHVGVZNIN-DGCWBMGLSA-N 367.449 2.897 0 1 FFAF Cc1ccc([C@]2(c3ncc[nH]3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963492474 RCEHFMUGUNMPCZ-UWJYYQICSA-N 363.417 2.623 0 1 FFAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 12356195 YSLMGFFVMWWPSA-UHFFFAOYSA-N 373.472 2.657 0 1 FFAF COc1ccc([C@H](c2c(O)oc(C)cc2=O)c2c(O)cc(C)oc2=O)cc1 13154470 VQEHVVPVXUJOOJ-INIZCTEOSA-N 370.357 2.810 0 1 FFAF biogenic CCC[C@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712473 AIAPAYZPHQDMIC-YXZMJPADSA-N 362.514 2.879 0 3 FFAF c1cncc(-c2cc(N3CCn4ccnc4C3)nc(-c3ccncc3)n2)c1 1857533653 JICRXPPSYFDIAC-UHFFFAOYSA-N 355.405 2.817 0 1 FFAF c1ccc(-c2cc(Cn3cc(Cn4ccc5cncnc54)nn3)on2)cc1 1857535401 QUMLPLVGSJYRPF-UHFFFAOYSA-N 357.377 2.774 0 1 FFAF CC[C@H]1CCCCN1C(=O)c1sc2ncn(CCOC)c(=O)c2c1C 8662467 BWLIJOKUCWIFBY-ZDUSSCGKSA-N 363.483 2.818 0 1 FFAF NC(=O)CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28020126 WLUBUOCSDSVUKG-AZUAARDMSA-N 371.431 2.644 0 1 FFAF CC[C@@H](C)[C@H]1CNCCN1CCCc1cc(OC)c(OC)c(OC)c1 22929339 JIUQFBUFVPSWHU-NVXWUHKLSA-N 350.503 2.965 0 3 FFAF CC[C@@H]1CN(C)[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356496608 LSPIQIBHDWRLMO-RLZYYMHESA-N 356.466 2.598 0 1 FFAF COc1cc(OC)c(C(=O)O)c(C(=O)c2cc(C)cc(OC)c2OC)c1 2356518917 HERQJTORZHUWCB-UHFFFAOYSA-N 360.362 2.959 0 1 FFAF CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)[C@H](C)c3ccccc32)cc1 33823673 RQORVHNEKKGADI-VLIAUNLRSA-N 351.450 2.947 0 1 FFAF O=C(O)c1cc2cc(Br)cc(NC(=O)C3CCNCC3)c2o1 71294199 PNOFQFZFLHUHOU-UHFFFAOYSA-N 367.199 2.832 0 1 FFAF CCCc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 38358157 WALOBABDZFRRRA-KRWDZBQOSA-N 365.433 2.929 0 1 FFAF Fc1ccc2c(c1)nc(N1CCN(Cc3c[nH]cn3)CC1)c1cccn12 45245703 BRNJLENJYHXKEL-UHFFFAOYSA-N 350.401 2.672 0 1 FFAF O=c1[nH]c2ccc(N3CCOCC3)nc2nc1CSCc1ccccc1 82231529 LTQYUEULNQHHBG-UHFFFAOYSA-N 368.462 2.588 0 1 FFAF C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 95912781 VXIXIHJLRHFDIK-SMBUSNGSSA-N 350.455 2.634 0 1 FFAF biogenic,in-vitro COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@@H]2CO 95877911 MNEPSXDACLWTKA-WEYGHZABSA-N 366.461 2.700 0 1 FFAF Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(C)cc1N1CCCC1=O 95590355 XAKBMVVEBVZAFE-HNNXBMFYSA-N 350.484 2.993 0 1 FFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]([C@H](O)CO)CC[C@H]12 255244698 NGYONPIMXAHRCT-XXBJMLFBSA-N 350.499 2.538 0 1 FFAF O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)OCc1ccccc1 377612359 XPBLPKRVVWXJIP-UHFFFAOYSA-N 369.788 2.669 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CNC(=O)C[C@H]3C2)N1 587791146 FNXMHLZOFZRGPY-RSNHQYPWSA-N 367.262 2.864 0 1 FFAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(N)=O)cc2[nH]1 587065281 NCUUABKMOHXMQD-UHFFFAOYSA-N 359.769 2.715 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3cc(C(=O)O)nn3c1C)O2 587395005 MZGYXNQUUFQJNR-LJQANCHMSA-N 366.377 2.507 0 1 FFAF COC(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1OC 587961679 NOEUIBSCILJCPY-UHFFFAOYSA-N 354.362 2.576 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 587392838 DOLUAAIFNKLPSE-HZPDHXFCSA-N 362.426 2.547 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NC[C@@H]3CCCO3)nc1)O2 587387107 NCTGUXHZBAKEEU-SUMWQHHRSA-N 354.410 2.665 0 1 FFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 587233771 AMJRNFJCDIRIHB-NTSWFWBYSA-N 373.048 2.937 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747040 OSVRVQMUJQPGAG-BCTVWOGZSA-N 365.250 2.897 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCOCC2)N1 587769966 ZVSGTEVMHUJCMW-BDJLRTHQSA-N 357.267 2.670 0 1 FFAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)NCCc2c(C(=O)O)cccc21 963126650 WKNVXQDZKPUWIM-NRFANRHFSA-N 353.418 2.954 0 1 FFAF Cc1ccc2c(c1)[C@@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)N2C 962776018 ZTJPYUAXYDRREC-HNAYVOBHSA-N 374.362 2.861 0 1 FFAF Cn1ncc2c(NC[C@@H]3CCCO3)nc(Nc3ccc(F)c(F)c3)nc21 1772578102 YJVNZGOCFSAYAH-NSHDSACASA-N 360.368 2.976 0 1 FFAF CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(F)cc3)c3c(N)ncnc32)C1 1772651763 VNDXRZGCISXGHY-CQSZACIVSA-N 368.416 2.788 0 1 FFAF Cn1cc2c(nc(NC(=O)Nc3ccco3)n3nc(-c4ccco4)nc23)n1 13683606 JFYMKBXIBSTVJQ-UHFFFAOYSA-N 364.325 2.508 0 1 FFAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12 1857619365 RCFAUUVPQUZGST-UHFFFAOYSA-N 369.373 2.716 0 1 FFAF COc1cc(CN(CCCCO)Cc2ccc(O)c(OC)c2)ccc1O 1857765623 VXKXSMUECJMFTG-UHFFFAOYSA-N 361.438 2.890 0 1 FFAF CCc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O 100885628 JLKVLMZGGJSAFO-IKVWTGGYSA-N 355.434 2.735 0 1 FFAF COc1ccccc1NC1=NS(=O)(=O)c2cc(Cl)cc(O)c2N1 28822732 OQRMXVGSPSGCDH-UHFFFAOYSA-N 353.787 2.637 0 1 FFAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 29488756 KPYLTXHXALSGPG-HHXXYDBFSA-N 356.466 2.718 0 1 FFAF COc1cc([C@H]2Oc3cc4c(cc3O[C@@H]2CO)CC=CO4)cc(OC)c1O 2356565026 MHEZAZVUYYHZAE-UYAOXDASSA-N 372.373 2.731 0 1 FFAF CC(=O)N1c2ccccc2[C@]23CCN(C)C=C4[C@H](C)OC[C@H]([C@H]12)[C@H]4CC3=O 2356669339 XZIACDKZDCVKKQ-HFQNMUIESA-N 366.461 2.503 0 1 FFAF C[C@@H]1C[C@H]2OCC3=CCC[C@H]([C@]1(C[C@@H](O)c1ccoc1)C(=O)O)[C@]32CO 36378736 IMVOSSZWEWPSNK-YHSNKNIWSA-N 362.422 2.528 0 1 FFAF OC[C@H]1O[C@@H](CCOCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O 49067663 MONANRYKMPEKTM-FNAHDJPLSA-N 372.461 2.689 0 1 FFAF C[C@H]1C[C@@H](O)[C@H]2C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(O)C1=O 136766946 BAEMUVUHSXFRBX-FMVSEYOSSA-N 364.526 2.927 0 1 FFAF Cn1cc2c(n1)C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 49073469 BABOQEGKYAFVTC-BLLLJJGKSA-N 351.859 2.914 0 1 FFAF NCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O 221289237 VEVKRSYMUOOKLR-UHFFFAOYSA-N 369.852 2.782 0 1 FFAF C[C@@H](Nc1cc(N2CCOCC2)[nH]c(=O)n1)c1cccc2ccccc12 95573113 HAQACYJAMKDIEN-CQSZACIVSA-N 350.422 2.933 0 1 FFAF NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OC1CCC1 299861513 IICBALNTECZZCG-UHFFFAOYSA-N 358.423 2.584 0 1 FFAF O=C(Cn1cccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657270 STXBASQKDPXQFZ-UHFFFAOYSA-N 366.327 2.879 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCC(=O)O)[C@@H](C2)C3=O 587440642 PSWXPDGJIMAWBE-DJJJIMSYSA-N 370.357 2.656 0 1 FFAF COC(=O)C[C@]1(C(C)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520412 AOHPYUIKBMKXLH-FQEVSTJZSA-N 362.422 2.842 0 1 FFAF COc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 587197886 WWZPYIRSPQFGCC-LBPRGKRZSA-N 362.430 2.883 0 1 FFAF FC(F)(F)c1ncc2nc(CSc3nnc(S)s3)nc-2[nH]1 587025471 MUKLLQJKORAPHN-UHFFFAOYSA-N 350.376 2.756 0 1 FFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C)nc3[nH]2)cc1 587228232 KLGQQQVXZUFPCD-UHFFFAOYSA-N 353.382 2.765 0 1 FFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc[nH]c(=N)c3[nH]2)cc1 587039498 FXZLRADGLGRICE-AWEZNQCLSA-N 369.450 2.657 0 1 FFAF COC(=O)c1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)s1 962930492 LNZBAAMRLQWNHO-LJQANCHMSA-N 358.463 2.646 0 1 FFAF COc1cc(OC)c(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1OC 5915435 SHONUJDWRZAHCQ-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic,in-vitro Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3[nH]ccc3c2)c(C)c1 1857601446 WZLNSCCFWWPHGL-UHFFFAOYSA-N 358.419 2.669 0 1 FFAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nccs1 3788947 NACAADVHQHZGOW-CYBMUJFWSA-N 363.464 2.552 0 1 FFAF COc1ccc(CCCCCCC(=O)O)cc1Cc1cnc(N)nc1N 3641200 PFSOPZHDFBSZSZ-UHFFFAOYSA-N 358.442 2.818 0 1 FFAF Cc1cccc([C@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)c1 103635745 MGUYOQSOZCRMDK-AWEZNQCLSA-N 367.405 2.931 0 1 FFAF COCCCNC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1 8599782 CPGCHWIFGZWLAR-UHFFFAOYSA-N 350.850 2.585 0 1 FFAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@@H]2C=C[C@]1(O)C(=O)O2 104371207 AALLCALQGXXWNA-ZQFDCJIWSA-N 358.390 2.533 0 1 FFAF in-man COC(=O)CSCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O 26024852 KHODXOPCYKZTAP-YFBAIUBQSA-N 357.472 2.584 0 1 FFAF CCN1CCC[C@@H]1CN(Cc1ccoc1)CC1CCN(CCOC)CC1 20538140 VZNQKXPKGXAFOM-OAQYLSRUSA-N 363.546 2.924 0 1 FFAF CCO[C@@H]1CO[C@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@H](OC)C[C@]12C 2356504396 PTLYLXSSWBSQTJ-JTUAFKSASA-N 358.475 2.783 0 1 FFAF CCN1C[C@@]2(C)CC[C@H](OC)[C@]34[C@H]2C[C@H]([C@@H]13)[C@@]12C[C@H](OC)[C@H]3C[C@]41[C@H]2C3=O 2356520374 KTRDIFVAXQUGKI-DFZXJWGLSA-N 371.521 2.752 0 1 FFAF Cc1ccccc1C1=N[C@@](C)(CC(=O)NCCOc2ccccc2)ON1C 74374136 FJGYJZUJDVYSIA-OAQYLSRUSA-N 367.449 2.920 0 3 FFAF Cc1ccccc1C(=O)OC[C@]1(CO)C/C(=C/c2ccccc2)C(=O)O1 40845315 DBNWTJRIQYQCPN-DGJFXRHUSA-N 352.386 2.913 0 1 FFAF CN/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 138413091 KEBWYQMWNWNPMT-GDNBJRDFSA-N 350.809 2.997 0 1 FFAF CC(C)Oc1cc2c(-c3cc(N4CCN(C)CC4)ncn3)n[nH]c2cc1F 221209939 CXJJUWFBBHXBII-UHFFFAOYSA-N 370.432 2.698 0 1 FFAF COc1ccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)cc1 95582429 MYGNMPNPSLIBHM-UHFFFAOYSA-N 355.375 2.636 0 1 FFAF Nc1ncc(-c2ccc(CCC(=O)O)cc2)cc1C(=O)Nc1ccncc1 149976927 XXDNMKSTCJGGQP-UHFFFAOYSA-N 362.389 2.995 0 1 FFAF c1cc2c(c(OC3CCOCC3)n1)C(c1cnn(C3CCOCC3)c1)=NC2 96176065 PSBFEBKKUSDNSF-UHFFFAOYSA-N 368.437 2.538 0 1 FFAF Cc1ccc(C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cn1 299842953 KYDYDIUINAUDSJ-IEBWSBKVSA-N 355.413 2.507 0 1 FFAF Fc1ccc(-c2noc([C@H]3CCc4c(nnn4[C@H]4CCOC4)C3)n2)cc1 653768984 XYTZQUCMUFIGKB-JSGCOSHPSA-N 355.373 2.701 0 1 FFAF COCCN1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587768756 MKKHRTXVKXZNLT-BDJLRTHQSA-N 357.267 2.670 0 1 FFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([C@H](N)N=O)cc3[nH]1)C2 587246027 CMUZDKROQWHALA-IEBWSBKVSA-N 351.410 2.638 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O 587451932 LQBOODBGSVINEB-RNODOKPDSA-N 370.474 2.990 0 1 FFAF Cc1c(F)ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587226653 DLVYFFQZCUHGPK-UHFFFAOYSA-N 370.384 2.553 0 1 FFAF COc1cc2c3c(c1)O[C@H](c1cnc(NC[C@@H]4CCCO4)nc1)[C@@H](C2)C3=O 587432326 KOAPAIWXWVTBGK-ZUEVXXBESA-N 367.405 2.565 0 1 FFAF O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(F)(F)F 13477153 BUCDFNRRQGAPCD-OAHLLOKOSA-N 351.324 2.924 0 1 FFAF CC(C)(O)[C@@H]1Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@H]1O 205384164 BEELJZPOZYDTHN-RTBURBONSA-N 354.358 2.731 0 1 FFAF CN(C)C1(CNc2nc(-c3ccncc3)nc3cnccc23)CCOCC1 1857582376 HIYCWXLYNZFJAZ-UHFFFAOYSA-N 364.453 2.610 0 1 FFAF Clc1nc(NCCN2CCOCC2)c2ccn(Cc3ccccc3)c2n1 1857651662 AEMLGXSIYPMVLH-UHFFFAOYSA-N 371.872 2.877 0 1 FFAF CC(C)COc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 1494259 SSIHAOHQIDQQSN-UHFFFAOYSA-N 363.361 2.724 0 1 FFAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCO)nc21 3834090 GOWKLVGETIDUTE-UHFFFAOYSA-N 365.220 2.707 0 1 FFAF COc1ccc2c(c1)CN(C(=O)Cc1ccccc1)CC[C@@H]1COC(=O)N21 2356290120 JYDLSSPVYSQMKQ-QGZVFWFLSA-N 366.417 2.995 0 1 FFAF CC(C)Cn1c(=O)n(C)c(=O)c2c3ncn(Cc4ccccc4)c3ccc21 28101386 IBZKWUXHQHCWAX-UHFFFAOYSA-N 362.433 2.754 0 1 FFAF NC(=O)[C@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 29128410 CNBKXUUHTVVJEP-LJWDBELGSA-N 362.904 2.504 0 1 FFAF CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@@H](O)[C@H]1O 2356509945 HRRWPOOLLFZIQU-RTBURBONSA-N 354.358 2.731 0 1 FFAF COc1cccc2[nH]c3c([C@@H]4[C@H](C(C)(C)O)CC[C@]4(O)CO)nccc3c12 2356603736 NDJNRBQJLNVWPV-JRQSSSKMSA-N 370.449 2.713 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)[C@H]1CC=C[C@@]23O 2356607606 NCBODEBWXNRTHV-WDHWYFMBSA-N 358.390 2.534 0 1 FFAF COC(=O)c1ccccc1S(=O)(=O)Nc1cc(O)c2ccccc2n1 66103609 APHZRAFGGRCPHC-UHFFFAOYSA-N 358.375 2.528 0 1 FFAF C[C@H](CC(=O)O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356719227 RFCUQENFPAOEMH-SNVBAGLBSA-N 352.390 2.984 0 1 FFAF CC1=C(C[C@@H]2OC(=O)C3=CCC[C@H](O)[C@@]32C)C(=O)O[C@@H](C2=CCC=C2)C1 2356779496 UGXXCRBYJNNERL-OEMYIYORSA-N 356.418 2.908 0 1 FFAF COc1cc2c(cc1OC)[C@H]1[C@@H](CO)c3ccc4c(c3CN1CC2)OCO4 31771565 QDPATENPRXQNAO-JXFKEZNVSA-N 369.417 2.621 0 1 FFAF COc1cc(C)c(C(=O)Oc2c(C)cc(O)c(C)c2O)c(O)c1C(=O)O 13433618 WSTILCLQPLCYEH-UHFFFAOYSA-N 362.334 2.655 0 1 FFAF biogenic COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 74388238 BHOLUKKMDIXKFV-CQSZACIVSA-N 360.479 2.906 0 3 FFAF CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1 72112229 YOOPYOPIAKCHQH-UHFFFAOYSA-N 353.426 2.666 0 1 FFAF CCN1CCN(c2nc(NCC(C)C)c3cc(OC)c(OC)cc3n2)CC1 82136518 FVWMQJXAFRWFEB-UHFFFAOYSA-N 373.501 2.857 0 1 FFAF CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(CC)n1 82072845 FYAHSEXXJHKGMB-HNNXBMFYSA-N 367.515 2.633 0 1 FFAF Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C 299824648 BHMCEZLZQQHWJW-INIZCTEOSA-N 358.463 2.778 0 1 FFAF COC(=O)Nc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cn1 587244030 AFZLRYIQGIKZJZ-UHFFFAOYSA-N 355.398 2.744 0 1 FFAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 587558361 REVSEIOGTOWEIS-YPMHNXCESA-N 372.425 2.865 0 1 FFAF C[C@@]1(c2cccnc2N)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962719062 RQIDIOQQANDPBO-BBRMVZONSA-N 369.318 2.684 0 1 FFAF C[C@@H]1CCc2nn(CC(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 5148481 VAFNVTASHKRPRQ-QGZVFWFLSA-N 366.509 2.789 0 1 FFAF C[C@H](NC(=O)n1sc2ncccc2c1=O)c1ccc2c(c1)OCCO2 169711326 LJKOPLPVHJQRIM-JTQLQIEISA-N 357.391 2.548 0 1 FFAF CCOc1cc(NC(=O)[C@@H]2CCCO2)c(OCC)cc1NC(=O)C1CC1 881451 CIDHIBVPARGWCY-HNNXBMFYSA-N 362.426 2.950 0 3 FFAF Cc1cccc(OCCOc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 29218584 QYEMDAVEYDQKJW-UHFFFAOYSA-N 367.453 2.638 0 1 FFAF COCCCNC(=O)c1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1C 28330445 JDAIVEQWIJZUDL-UHFFFAOYSA-N 369.425 2.562 0 1 FFAF NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OC(F)(F)O4)s2)CC1 66136668 DDLCYSXDTSCUGY-UHFFFAOYSA-N 367.377 2.833 0 1 FFAF CN1CCN(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 33346585 NNVQBCNICICYMD-UHFFFAOYSA-N 374.655 2.564 0 1 FFAF CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 34409969 UOQYIXROQIKTLQ-JYMLRBTQSA-N 371.485 2.937 0 1 FFAF CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O 49112635 QWFUAOOOLIDWBY-UHFFFAOYSA-N 371.384 2.883 0 1 FFAF CN1CCC=C([C@H]2CN(C(=S)Nc3ccccc3Cl)CCO2)C1 40896995 ZGISMGAEOZRHAF-MRXNPFEDSA-N 351.903 3.000 0 1 FFAF CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C)C(=O)c1ccccc12 95568721 AHHVMYHFWQZNMY-NQIIRXRSSA-N 351.402 2.879 0 3 FFAF CC(C)N1CCC(N2CCN(C3CCCCCC3)C[C@H]2CCO)CC1 248014170 SFYYFZVMJHYYOX-OAQYLSRUSA-N 351.579 2.951 0 3 FFAF COc1ncnc(N)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743378 DOVLJZYIHDERFP-FUXBKTLASA-N 367.222 2.593 0 1 FFAF N=c1[nH]cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc-2[nH]1 587116913 MGPUFNLAJMTQLR-UHFFFAOYSA-N 371.754 2.706 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)OCCO4)[C@@H](C2)C3=O 587454736 WNUTZLPEZPESDR-RBZFPXEDSA-N 354.358 2.964 0 1 FFAF c1ccn2c3c(nc2c1)CCN[C@H]3c1cc(-c2ccc3c(c2)OCO3)no1 962982711 JMFISWCBULMDHF-IBGZPJMESA-N 360.373 2.953 0 1 FFAF NC(=O)[C@]1(c2c(O)[nH]c3ccccc23)c2c(F)cccc2C[C@H]2CCCN21 963107941 KMCXDBNYUIGVAA-LRTDBIEQSA-N 365.408 2.762 0 1 FFAF Cn1c(-c2cn(Cc3cc(=O)oc4cc(O)ccc34)nn2)nc2ccccc21 1772651559 JQOSYXBUGRICHK-UHFFFAOYSA-N 373.372 2.692 0 1 FFAF CC(C)c1cc(C(=O)N2CC[C@@H](n3cc(Br)cn3)C2)n[nH]1 1772640548 JFPBFPWCRUXYRC-LLVKDONJSA-N 352.236 2.579 0 1 FFAF Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccc(O)cc3)nn12 13493986 NVZPXCAHWZJVHG-UHFFFAOYSA-N 371.404 2.672 0 1 FFAF O=C(N[C@H]1CCNC1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1 13588776 XINNQVHBRVROQD-INIZCTEOSA-N 372.428 2.768 0 1 FFAF COC(=O)[C@@H](c1ccc(I)cc1)[C@@H]1CCCCN1 13747223 KYFGACYORZGXNM-STQMWFEESA-N 359.207 2.690 0 1 FFAF c1cc2c(cc1O[C@H]1OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]31)OCO2 14690462 ZZMNWJVJUKMZJY-RYMBOPBQSA-N 370.357 2.883 0 1 FFAF endogenous,in-man CCOC[C@@H]1COc2cc3[nH]cc(C(=O)OCC)c(=O)c3c(Cl)c2O1 169345494 PBVICYKWRNWPMZ-SECBINFHSA-N 367.785 2.535 0 1 FFAF NC(=O)Nc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1 169704635 YPDUSLRZSVCPSB-UHFFFAOYSA-N 363.356 2.670 0 1 FFAF CC(C)[C@H](CO)NCc1nc([C@H]2CCCC3(C2)OCCO3)ccc1F 204411189 TWSHSSAWCVJHQY-KSSFIOAISA-N 352.450 2.728 0 1 FFAF Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4315486 PJQBNQWXRQYSNG-IEZWGBDMSA-N 357.431 2.550 0 1 FFAF COC(=O)N1CC=C[C@]1(C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1 7992752 CJPYQWRKBOACCR-OAHLLOKOSA-N 360.307 2.858 0 3 FFAF COC(=O)[C@H](c1ccccc1Cl)N1CCC(S)=C(CC(=O)O)C1 100390714 CXPJTQJWJQRBOF-HNNXBMFYSA-N 355.843 2.918 0 1 FFAF in-man COc1ccccc1NC(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523343 POIZEQOOLWQOTB-UYAOXDASSA-N 366.465 2.917 0 1 FFAF CC=C(C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@@]12C 2356489364 UXXJAHJNHYCPJW-BEKAIBRUSA-N 350.455 2.559 0 1 FFAF CC=CC(=C[C@H](C=C[C@@H](C)O)c1cc(NC(C)=O)c(OC)cc1O)CO 2356831908 JSTRQEVJCFDTEN-CJNGLKHVSA-N 361.438 2.875 0 1 FFAF Cc1ccnc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 27315662 KSUYYLXTGGKINZ-INIZCTEOSA-N 371.462 2.799 0 1 FFAF COc1cc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc(O)c1OC 14437204 UXCXGTLNNWIBBM-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@@H]1[C@@H]2C(=O)OC 138945352 GZTGPKOSHVZHKN-YNRLTXHDSA-N 356.466 2.893 0 1 FFAF CCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1 82148868 YTXQVAWZFVHZNO-UHFFFAOYSA-N 356.382 2.754 0 1 FFAF CCCCNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(=O)c1ccccc1 199243486 SODDILARJPTKRR-GOSISDBHSA-N 352.434 2.893 0 3 FFAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccc(F)cc1 199214053 YMGGKJJWVUFFTA-FQEVSTJZSA-N 365.412 2.898 0 3 FFAF CCO[C@H]1CO[C@@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@H](OC)C[C@@]21C 238751292 PTLYLXSSWBSQTJ-MYWJPXJKSA-N 358.475 2.783 0 1 FFAF COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@H](O)[C@H]2C 263621322 YZZBBYUVOSVRJT-FCWWMMNESA-N 350.499 2.680 0 1 FFAF in-vitro Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(C)c(=O)c12 653838770 IICWNJPHHWGZMB-UHFFFAOYSA-N 361.405 2.745 0 1 FFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 586962715 GWPXWSLVHAGCOB-LURJTMIESA-N 366.497 2.978 0 1 FFAF CN(c1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(=N)[nH]c(=N)c2n1 584905242 JEGBSKQTMYWCPV-UHFFFAOYSA-N 350.304 2.516 0 1 FFAF in-vitro Cc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1 587204190 VPVTUJKZSOPQGV-CQSZACIVSA-N 354.366 2.709 0 1 FFAF Nc1ccnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587000922 ALXLRVMPWVIPGI-UHFFFAOYSA-N 357.215 2.895 0 1 FFAF CC(C)(C)OC(=O)N1CC(C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654672 MYGXDKOHEWZSDU-UHFFFAOYSA-N 363.801 2.557 0 1 FFAF O=C(Cc1ccccc1)NCCc1nc2c(Br)ccnc2[nH]1 587228544 NVMWWPFDOFSSIK-UHFFFAOYSA-N 359.227 2.622 0 1 FFAF O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccc(F)cc1 587167831 XRUIROPNVURXGW-AATRIKPKSA-N 352.325 2.685 0 1 FFAF C[C@H](O)[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976803 OHNFAQAUHXRIHL-FGJULOEWSA-N 373.808 2.903 0 1 FFAF Cc1c(CC(N)=O)c2cc(NCCC(=O)O)ccc2n1Cc1ccccc1 13446146 LOMVGGZBOOQGAI-UHFFFAOYSA-N 365.433 2.912 0 1 FFAF COc1cc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)cc(OC)c1OC 4388431 DPZUOKSTXUEZST-ZXFUBFMLSA-N 374.481 2.990 0 3 FFAF CC[C@H](C)[C@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2356538205 VMYWFCHFKKXGGP-BGFJZZDESA-N 369.421 2.703 0 1 FFAF C[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]1(C)C[C@H](O)c1ccoc1 39160167 TWSKOIUXIBVCDJ-SRVJNQFMSA-N 350.455 2.861 0 1 FFAF Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O 34282361 FZPYWVVOFIWWAQ-GOSISDBHSA-N 366.396 2.559 0 1 FFAF CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82176078 KBMYAKCBICPBFA-UHFFFAOYSA-N 355.373 2.794 0 1 FFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](CC)N2 82213050 SHJYPPJBLIEIOD-MRXNPFEDSA-N 371.485 2.506 0 1 FFAF CN(c1ncc(C#N)cc1Cl)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143215330 XTLMMEQIPWSWQW-GFCCVEGCSA-N 353.817 2.593 0 1 FFAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261149007 OMSAEBUIHWCGKQ-IYARVYRRSA-N 373.497 2.622 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]13COC(=O)C1=CCC[C@]23O 85692940 FQBCRRIWNZDHQS-TTYHFUOFSA-N 356.374 2.599 0 1 FFAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)c(N)c1)O2 587400493 QEQQEBLKSJVTLL-OAQYLSRUSA-N 367.449 2.877 0 1 FFAF COCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791412 IGDVGJLQUQFBCX-MGPLVRAMSA-N 374.250 2.917 0 1 FFAF CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C 587239669 MYRYRQHWJMSKKP-CRTZDJKQSA-N 373.457 2.860 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NCc1ccco1 587870650 OOBKEAIRUPOIRV-UHFFFAOYSA-N 357.341 2.638 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CS(=O)(=O)CC3 586994165 OCWDUJOYMGJVRC-UHFFFAOYSA-N 351.383 2.623 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=CN(CCOC)[C@@H](C)C2=O)N1 962958546 UPUNMGSCNNMHLV-ZSDSOXJFSA-N 353.466 2.721 0 1 FFAF C[C@H](N)C[C@]1(c2ccc(F)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034249 QZAHVOKWWMYTOC-DGCWBMGLSA-N 353.441 2.860 0 1 FFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@H](C)O)c12 1772641676 HRBVXJZQWVKRPG-MNOVXSKESA-N 355.398 2.903 0 1 FFAF CSc1ccccc1OCc1cc(C(=O)N(C)Cc2nonc2C)no1 12297276 XYLNUSXVNRTGDC-UHFFFAOYSA-N 374.422 2.939 0 3 FFAF O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1 12566058 KXTMJDDBLNXRRA-SPLQCWDRSA-N 365.408 2.914 0 1 FFAF O=C(NCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 13441912 YZDWVMJXMVQMKL-IBGZPJMESA-N 372.490 2.687 0 1 FFAF N=C(N)c1ccc(NC(=O)c2ccc3c(c2)N[C@@H](CC(=O)O)CCC3)cc1 13782916 QZWBJRINIZUQSO-MRXNPFEDSA-N 366.421 2.814 0 1 FFAF COc1c2cc(c(O)c1OC)CCCC[C@@H](O)[C@@H](O)Cc1ccc(O)c-2c1 169516207 HIWDVUYHQYGBCH-MSOLQXFVSA-N 374.433 2.773 0 1 FFAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C#N 206134567 FINRCSOWWRQIKA-UHFFFAOYSA-N 360.421 2.993 0 1 FFAF O=C(NCc1cccnc1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166379868 PQEMTAYTMIRGEZ-UHFFFAOYSA-N 373.416 2.954 0 1 FFAF CCS(=O)(=O)NCc1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1 204970204 IYEKWDPGPALGOX-UHFFFAOYSA-N 374.441 2.852 0 1 FFAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21 1857559907 JGOYFMKFLPWVBR-UHFFFAOYSA-N 358.463 2.731 0 1 FFAF C[C@@H]1CNC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644823 SNEKQIGUUXKDQP-BXUZGUMPSA-N 359.376 2.847 0 1 FFAF CO[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857758002 FPDPQXHQERKGIO-LIRRHRJNSA-N 374.387 2.681 0 1 FFAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298921 FHIJKNWWQFBSTL-NXHRZFHOSA-N 373.545 2.735 0 1 FFAF biogenic O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 3378570 YMTWNUQMSIPQAH-HOSYDEDBSA-N 351.305 2.702 0 1 FFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289202 RGSGFNKWHNQFME-HAGHYFMRSA-N 369.509 2.680 0 1 FFAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2)c1 61926046 HUFJCZXXWKUJCQ-NRFANRHFSA-N 368.433 2.876 0 3 FFAF N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)ccc1O 118267005 UEYSRRKRVVEIKC-QGZVFWFLSA-N 362.389 2.550 0 1 FFAF CC(C)CCN1CC(=O)N(C)c2cnc(Nc3ccc(O)c(F)c3)nc21 1911582510 DQKBXSPQZBCQMB-UHFFFAOYSA-N 359.405 2.894 0 1 FFAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427516 QXQGOIGWEXCMOW-QAPCUYQASA-N 372.428 2.565 0 1 FFAF biogenic Cc1n[nH]cc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175540 UQAOJVOXRQBBJW-UHFFFAOYSA-N 374.408 2.672 0 1 FFAF CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@](C)(O)[C@]21CC[C@]2(COC(=O)C2)O1 238741945 ONWXEYIMXRNVDW-FUKJZSEISA-N 350.455 2.778 0 1 FFAF COc1ccc(C[C@@H]2CO[C@H](O)[C@H]2Cc2ccc3c(c2)OCO3)cc1OC 257564490 VHLUROMCVXTWNM-XFQAVAEZSA-N 372.417 2.799 0 1 FFAF endogenous,in-man CC(C)(O)[C@H]1Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 59728640 ASFWAKDAUOGISP-QGZVFWFLSA-N 354.358 2.946 0 1 FFAF biogenic CC(C)C1=C(O)C(=O)C2=C(CC(=O)[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1=O 85914122 XOEIXXQFEVEJIA-YSIASYRMSA-N 360.406 2.773 0 1 FFAF biogenic O=C(Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12)NC1CCCCC1 299834741 TYFPZRYPVUUVBV-UHFFFAOYSA-N 370.369 2.537 0 1 FFAF N=c1nc(O)c2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2[nH]1 587164577 WXUMDGZQAKIVEJ-UHFFFAOYSA-N 364.340 2.529 0 1 FFAF O=C(O)[C@]1(c2cccc(Cl)c2)CCc2nc3nc(O)nc(O)c3cc2C1 587368837 PPHMYEXCXZGTHT-GOSISDBHSA-N 371.780 2.601 0 1 FFAF C/C(=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NCCO 587758628 YOHWQGXEOIYNKR-WUGDXGSSSA-N 357.267 2.823 0 1 FFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccncc2)(c2ccc(O)cc2)N1 962903429 USNLMRFFLGMACS-GHTZIAJQSA-N 364.376 2.817 0 1 FFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C)N([C@@H](C)C(=O)O)C(=O)C2)N1 962941925 FLDJUFHVGVZNIN-PXIJXODZSA-N 367.449 2.897 0 1 FFAF O=C(NCCCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O 1772596694 GWBRUFXAFPGUAJ-UHFFFAOYSA-N 353.374 2.957 0 1 FFAF COc1ccc2c(c1)O[C@]1(C)C[C@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 13139557 OABCLKMPOUYXKO-FYINFDKHSA-N 367.401 2.915 0 1 FFAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(c1ncccn1)CC2 13492036 JWTPTEHWQUNGQF-UHFFFAOYSA-N 362.368 2.594 0 1 FFAF Cc1c[nH]c(CN(C)C(=O)c2cc(COc3c(F)cccc3F)on2)n1 15961769 NAJRBRUKMFECAV-UHFFFAOYSA-N 362.336 2.836 0 3 FFAF Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 169685430 WMJNGKAPGOFTSV-BBRMVZONSA-N 374.416 2.612 0 1 FFAF O=C(NCCc1ccccc1)c1nc2c(OC3CCNCC3)cccc2o1 1857538676 CGLXLNMOKDXLHH-UHFFFAOYSA-N 365.433 2.931 0 1 FFAF O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1N=CC[C@@H]1c1ccccc1 1857562807 IIVRDQFOCAQQAZ-CQSZACIVSA-N 353.344 2.747 0 1 FFAF O=c1cccc2n1[C@@H]1C[C@H](C2)CN(C[C@@H](O)CCCc2ccccc2)C1 1857638970 MCMLLYNXDSNKTO-TYPHKJRUSA-N 352.478 2.651 0 1 FFAF N=c1[nH][nH]c(-c2ccccc2)c1-c1nc(O)c2cnn(-c3ccccc3)c2n1 1857774082 FLVVPIQBAGPJSD-UHFFFAOYSA-N 369.388 2.991 0 1 FFAF CCOC(=O)Nc1cc2c(c(N)n1)N[C@@H](CN(C)c1ccccc1)CN2 1559599 JPRNYYRJWRLWGZ-GFCCVEGCSA-N 356.430 2.575 0 1 FFAF COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 8612943 BLGXFZZNTVWLAY-MUKCLNALSA-N 354.450 2.647 0 1 FFAF CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 9821969 XTYKBTNQJNTKBY-QGZVFWFLSA-N 358.825 2.813 0 1 FFAF O[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]21 66258396 AWLJZFUREZNLGG-YNDNJQNWSA-N 370.357 2.538 0 1 FFAF OCCc1c([C@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccccc12 2356467830 GTKKLIYNQCXJMH-WOJBJXKFSA-N 350.418 2.669 0 1 FFAF CN1O[C@@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1F 74373308 WZIRMUJJERIWIW-FQEVSTJZSA-N 355.413 2.915 0 3 FFAF COc1ccc(C[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 38318591 AZFMHDQOOUSFJX-CKJXQJPGSA-N 372.417 2.971 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=CCC[C@]32O 139032924 LKBDFALVRKSVEK-FWBITCJASA-N 358.390 2.678 0 1 FFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)co1 82070505 YQJXMIQLWIIQON-ZDUSSCGKSA-N 353.378 2.678 0 1 FFAF CCC[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149294992 PCABGJMPWSJFMR-BBRMVZONSA-N 367.243 2.567 0 1 FFAF CO[C@H]1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C 143757302 NOMGKGZJPSIDLO-KRWDZBQOSA-N 355.825 2.918 0 1 FFAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]12 146608187 YWULOMNQOWMRFL-DIHAYXGESA-N 368.433 2.884 0 1 FFAF COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@]2(O)O3 238738517 WWKLZOFMEXWTLT-YSRMBRMJSA-N 362.466 2.861 0 1 FFAF CC(=O)CC[C@H]1C(C)(C)CCC[C@]1(C)[C@@]1(O)CC[C@](C)([C@H](O)CO)O1 238777968 IDKBXCBUWFRPAZ-KRFUXDQASA-N 356.503 2.799 0 1 FFAF COc1cc2oc(C)c(C(=O)N[C@@H](CO)Cc3ccccc3)c2cc1O 621430402 USAWMMCAIHFHGW-CQSZACIVSA-N 355.390 2.789 0 1 FFAF O=C(O)[C@@]12CCCN(Cc3ccsc3)C[C@@H]1CN(c1ccccn1)C2 299843227 ORSAEAXNLNJTKV-VQIMIIECSA-N 357.479 2.946 0 1 FFAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587938635 XZESQTOAUZOLST-APPDUMDISA-N 360.435 2.812 0 1 FFAF N=c1nc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c(Cl)[nH]1 587231377 AGSLTJRHGTWIKT-UHFFFAOYSA-N 354.801 2.969 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCN(C)C1=O)O2 587394796 JBJRJHMOCMHDFR-HRAATJIYSA-N 350.418 2.916 0 1 FFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CC[C@@H]3N)[nH]c2c1 587246971 RCVLSXXQOYTGGS-STQMWFEESA-N 372.450 2.577 0 1 FFAF C[C@@H](F)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 587126766 YJGAQLVPJAMQCK-WUJLRWPWSA-N 352.005 2.841 0 1 FFAF O=C(c1ccc(O)nc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660863 ULSGVVKLNQULBL-UHFFFAOYSA-N 361.332 2.992 0 1 FFAF O=C(O)c1cc2c(cc1F)[C@]1(CCC2)NCCc2c(C(=O)O)cccc21 963130546 JLYGEYHJKJGSOS-HXUWFJFHSA-N 355.365 2.948 0 1 FFAF COC(=O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(OC)cc1)[C@@H]23 1772658158 WIYFOKJSFFBTLO-RYTRXMBJSA-N 372.509 2.933 0 1 FFAF CCCCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1 13823402 XBWXPGDFGTXJHJ-UHFFFAOYSA-N 361.419 2.797 0 1 FFAF COCCCC1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 15073647 YPARERXHXVIBJN-KRWDZBQOSA-N 350.503 2.833 0 3 FFAF COc1ccc(NC(=O)c2[nH]cnc2C(=O)N(C)Cc2ccccc2)cc1 15952237 ZCCUEXNTOAHARK-UHFFFAOYSA-N 364.405 2.943 0 3 FFAF CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 19867347 GGAYKOPTOLHDON-OKYOBFRVSA-N 370.534 2.599 0 1 FFAF COc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857758295 IWUMZJCKPCCMLT-LLVKDONJSA-N 352.387 2.583 0 1 FFAF CC[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O 1361927 KEGWPWFYKXQYCG-MRXNPFEDSA-N 370.405 2.847 0 3 FFAF O=C(O)C[C@@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356305754 CIEXWVZQAWOCGE-LSDHHAIUSA-N 357.454 2.697 0 1 FFAF O=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2cccs2)CC1 2498780 NOTMGBJUIXCXDC-UHFFFAOYSA-N 370.540 2.892 0 3 FFAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 4051919 WVKPIMVEQYNNEJ-UYAOXDASSA-N 366.417 2.646 0 1 FFAF CC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 6893640 ONWXYYRMSBKIJS-UHFFFAOYSA-N 369.531 2.944 0 3 FFAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@@H]1CN1CCN(c2ccccn2)CC1 28635530 SWGWTBOZTKJVHF-DENIHFKCSA-N 365.477 2.643 0 1 FFAF COC(=O)c1cc(OC)c(Cl)c(O)c1C(=O)c1c(O)cc(C)cc1O 14761012 OBRJGCZFPGAOSK-UHFFFAOYSA-N 366.753 2.791 0 1 FFAF biogenic COC(=O)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2CO 13380981 SIZFHMVDXZLUER-RBUKOAKNSA-N 363.417 2.538 0 1 FFAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3)[C@H]1C2 72184193 DGYQFSRCYSJUTM-KSSFIOAISA-N 353.447 2.881 0 1 FFAF O=C(NCCNc1nccc(-n2ccc3cccnc32)n1)c1ccccc1 1911579066 GSOYPMLEOYNHEQ-UHFFFAOYSA-N 358.405 2.657 0 1 FFAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccco4)nc3c21 40940551 BMIFXBMMKCRBEC-UHFFFAOYSA-N 354.341 2.656 0 1 FFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95894014 XGOBDDATJGVWJO-DYXWJJEUSA-N 354.425 2.911 0 1 FFAF N=C1N[C@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1 473136103 XDMHBNONUZHFDP-XKQJLSEDSA-N 365.886 2.649 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2N)N1 587747387 QBIQGNNSHFNMDQ-AYVTZFPOSA-N 351.223 2.758 0 1 FFAF COc1ccc2c(C)c(CCc3nc4cnnc(O)c4[nH]3)c(=O)oc2c1C 586918515 NGOKTUPDFWGBHL-UHFFFAOYSA-N 366.377 2.576 0 1 FFAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CN1C 587582464 LKIDIESMZYJPOP-FXAWDEMLSA-N 351.358 2.511 0 1 FFAF COc1cc(-c2nc3c(C)nccc3[nH]2)ccc1OCC(=O)NC(C)C 587223072 LVVQISWHFBPVMA-UHFFFAOYSA-N 354.410 2.845 0 1 FFAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587116907 MEBXTWXTWRVUGE-UHFFFAOYSA-N 368.710 2.611 0 1 FFAF CS(=O)(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587608169 PPJGLNCXXCCQEV-GPMSIDNRSA-N 374.414 2.690 0 1 FFAF CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587432991 UMWQHNIYWCBQNB-RJQFULPZSA-N 367.449 2.938 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ncccc1C)[C@@H](C2)C3=O 587432385 LFRJEFIIGGHBPT-VBKZILBWSA-N 352.390 2.934 0 1 FFAF O=C(O)c1cc(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 586892024 QSFKYRJJRIRAEJ-ZDUSSCGKSA-N 363.167 2.811 0 1 FFAF CCOC(=O)c1sc(-c2cccc(OC)c2)cc1NC(=S)NN 958021762 HTSOOMLVCAPSLU-UHFFFAOYSA-N 351.453 2.761 0 1 FFAF Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(C(F)(F)F)cc12 11536193 DXMRTFOZJATGPZ-UHFFFAOYSA-N 358.297 2.676 0 1 FFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2F)cc1)C(C)C 13534688 ZHFFEAWPDKTWSZ-KRWDZBQOSA-N 365.426 2.969 0 1 FFAF Nc1nc(N)c2cc([S@@](=O)c3cccc(C(F)(F)F)c3)ccc2n1 169315057 LTXVJYOHHWHLHF-DEOSSOPVSA-N 352.341 2.980 0 1 FFAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccc(C)cc2)C(=O)O1 169727393 HIWZCLFUHRGLDL-FMQUCBEESA-N 373.412 2.553 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=CC[C@H]1O[C@]132 202804374 SMMSXOZXNSYYCP-BTJAMIPZSA-N 356.374 2.695 0 1 FFAF Cc1cnc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc1 1857535866 KJNVTDOIKOJPQR-UHFFFAOYSA-N 364.453 2.793 0 1 FFAF CCNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1 1349965 GASXTRAPCWRQAH-UHFFFAOYSA-N 362.524 2.835 0 3 FFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C(=O)C3CCCC3)CCN21 2356302805 BYKHGTQCQJSEMQ-LJQANCHMSA-N 369.509 2.624 0 1 FFAF CCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 4034726 YAIXJKZQJNOCPD-PDOICOKGSA-N 374.868 2.538 0 1 FFAF CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 4612158 YHIPHJQGXRCDFI-HUUCEWRRSA-N 368.499 2.549 0 1 FFAF COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccccn1 7992820 GKKBQWBMYKIGPV-GHTZIAJQSA-N 365.433 2.706 0 3 FFAF CC(C)CNC(=S)NCCCCn1nc(-c2ccccc2)ccc1=O 27208984 GSAJTVMHFDOXNW-UHFFFAOYSA-N 358.511 2.811 0 1 FFAF C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 28001160 UJVJESYKEHAJNS-BGPARIOWSA-N 362.466 2.883 0 1 FFAF c1ccc(CCCN[C@@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@@H]32)cc1 2356821381 GACJMTBHCAXEIS-GXRSIYKFSA-N 353.462 2.960 0 1 FFAF O=C(OCc1ccccc1)[C@@H]1COC(c2cncc(Br)c2)=N1 49112219 GCLHDNHFQIRXDI-AWEZNQCLSA-N 361.195 2.733 0 1 FFAF CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1 43010969 UQEVQFAMCLYPTJ-UHFFFAOYSA-N 368.884 2.747 0 1 FFAF Cc1noc(C)c1-c1nc([C@@H]2CCCN(Cc3c[nH]cn3)C2)ccc1CO 257279092 OEZQLWMDWHCSLU-OAHLLOKOSA-N 367.453 2.948 0 1 FFAF N[C@H](CCc1cccnc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 299835163 LWRKOPLMYMXZKW-SJORKVTESA-N 362.366 2.513 0 1 FFAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccn1 653837910 NXJNSTYOCLZQNL-UHFFFAOYSA-N 353.407 2.774 0 1 FFAF O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1 653697073 FFWRGYRSPAHYGH-UHFFFAOYSA-N 360.461 2.787 0 1 FFAF CCOC(=O)Cc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587249042 FIJAZHUFFROSRY-UHFFFAOYSA-N 353.378 2.540 0 1 FFAF COc1ccc(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 587925348 MXVNSINZHDHFCX-UHFFFAOYSA-N 364.409 2.731 0 1 FFAF COC(=O)c1ccnc2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc12 587157902 VJWCOKDZZPDINX-GOSISDBHSA-N 354.341 2.675 0 1 FFAF CC(C)OC(=O)C1(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC(F)(F)C1 587131854 VOLOPXUCHOIMJE-UHFFFAOYSA-N 365.380 2.883 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(F)(F)F)N1 587707260 VBEGIACVCRJDCD-DYEAUMGKSA-N 356.113 2.965 0 1 FFAF COC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757869 HXODUPNWKHHENH-MGPLVRAMSA-N 368.250 2.746 0 1 FFAF O=C1C[C@@H]2N(CC3CC3)CC[C@@]34CC(=O)[C@@H]1C[C@@]23Cc1ccc(O)cc14 169291554 WWZJATZYCGKHLQ-SEPFQZFQSA-N 351.446 2.609 0 1 FFAF NC(=O)[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 165918908 LIJVDSICFNWJFS-AWEZNQCLSA-N 353.407 2.553 0 1 FFAF COc1ccccc1N1CCN(c2nc(O)c3c(n2)CC[C@@H](C)C3)CC1 1857536175 UEQBNHNPGWISOI-CQSZACIVSA-N 354.454 2.642 0 1 FFAF COc1c(C)cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1C 1857557266 FVXMIEXJXLWTRO-UHFFFAOYSA-N 361.405 2.755 0 1 FFAF COc1ccc(-c2noc(C)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 774137 UGJUNPYJFNIBKR-QGZVFWFLSA-N 366.417 2.992 0 1 FFAF Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)o1 1480297 NICRJXXZPLAFMD-WDMOLILDSA-N 374.340 2.753 0 1 FFAF CC1=CCC[C@](C)(O)[C@H](O)CC[C@](C)(O)C=C2OC(=O)C(C)=C2CC1 2356450630 CJOCJMYRALTVRM-HOJAQTOUSA-N 350.455 2.907 0 1 FFAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@@H]1Cc1nccc3c4ccccc4n2c13 2356490409 HPBUEEAIZGVXAY-GQWLDOHISA-N 364.401 2.525 0 1 FFAF CN(c1ccn(C)n1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118869827 ZJNITCLAIAJHPN-ZDUSSCGKSA-N 356.401 2.592 0 1 FFAF CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)c1 73157166 FUTUTLPXDGYCPP-CALCHBBNSA-N 366.465 2.777 0 1 FFAF O[C@@H](c1ccc2c(c1)OCO2)[C@H]1COC[C@@H]1Cc1ccc2c(c1)OCO2 45298462 DQAKTWJMKAIIDV-AVYPCKFXSA-N 356.374 2.683 0 1 FFAF COC(=O)Cc1cc(O)cc2oc(-c3ccc(OC)c(O)c3)cc(=O)c12 84653776 POJFYICLFUVYDX-UHFFFAOYSA-N 356.330 2.595 0 1 FFAF C[C@@H]1CCCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)C1 247907754 KJCWKGGMKKAAJS-MNEFBYGVSA-N 360.473 2.899 0 3 FFAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)[C@H]1C[C@H]2CC[C@H]1C2 299849745 VHOQUFMDTFRUCM-ZWOKBUDYSA-N 366.509 2.795 0 1 FFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)cnc4[nH]3)CC2)cc1 586955824 WTCWAGVQLDEONH-UHFFFAOYSA-N 374.441 2.974 0 1 FFAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1)N1CCC1 586954959 JXCCKBWVZBGTCV-UHFFFAOYSA-N 363.826 2.983 0 1 FFAF COC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2n1 586950523 INQMTWDMMDIOGK-UHFFFAOYSA-N 374.422 2.562 0 1 FFAF CCOC(=O)CNc1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 587225766 SXTGXSDNPIFLHH-UHFFFAOYSA-N 351.366 2.787 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)C2)N1 587844734 OWDAUFCRIDPDPH-XPTSAGLGSA-N 362.264 2.526 0 1 FFAF O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)O1 13558353 VFCRZEZCDQPTLX-IEBWSBKVSA-N 357.431 2.680 0 1 FFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cncs1 169171990 ZGYLEPMRUCBOIN-UHFFFAOYSA-N 366.446 2.948 0 1 FFAF CC(C)[C@@H](CN1C[C@@H](C)C[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857748521 XYXSWMHKNSFHGK-VAKZPMALSA-N 373.541 2.525 0 1 FFAF Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 1645750 AXDQWOUUBIAQQJ-KBXCAEBGSA-N 362.861 2.872 0 1 FFAF C[C@@]1(CO)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2)CO3)O1 2356397530 ONCSDMGQHWYRHA-VLIAUNLRSA-N 354.358 2.613 0 1 FFAF CN1C=CCC(C(=O)NCCc2ccc(I)cc2)=C1 100018692 WGKJHLQCMOZBEZ-UHFFFAOYSA-N 368.218 2.683 0 1 FFAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@H]2CCC[C@]1(C)O 2356308170 WNRWNWFOYJAQIH-KNMUDHKVSA-N 360.406 2.854 0 1 FFAF O=C(NCc1ccno1)Nc1nnc(CCC(=O)c2ccccc2)s1 20778837 VNFWAWLVNLAORX-UHFFFAOYSA-N 357.395 2.663 0 1 FFAF COc1cc([C@H]2OC[C@H]3[C@@H]2C(=O)O[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356518214 JOVBAVJQHJYOID-OZOSWLFCSA-N 372.373 2.717 0 1 FFAF COC(=O)C1=C(N2CCC[C@H]2C)[C@H]2c3ccccc3S[C@@]12C(=O)OC 34819609 KUBUYDVTPCZEOX-FRGNPEFRSA-N 359.447 2.713 0 1 FFAF C/C=C1/CN2CC[C@]34C(=Nc5c(OC)cccc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC 238755138 RQUBWQXSISZUEA-KWNRMMIHSA-N 352.434 2.862 0 1 FFAF CN1CC(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1 96929119 YDTKBAVBHFZIQT-SFHVURJKSA-N 357.845 2.505 0 1 FFAF C[C@H]1CCCN(C(=O)C2=Cc3cc(Br)ccc3S2(=O)=O)C1 473157268 UYKYPECRBGYJQN-JTQLQIEISA-N 370.268 2.836 0 1 FFAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586915335 CYQFIDMHAYAUCD-BMLIUANNSA-N 357.801 2.587 0 1 FFAF CC[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582041 NHJSEAAPIGVBDZ-KXBFYZLASA-N 351.362 2.788 0 1 FFAF O=C([C@@H]1CCN1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587654250 JPGFXSVUAXKYGK-KRWDZBQOSA-N 353.809 2.965 0 1 FFAF COc1cc(C2(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC2)ccc1C 587926997 MHIAVUBKVLZRCP-UHFFFAOYSA-N 357.435 2.607 0 1 FFAF CN(C)C(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924065 GDTXHXUJPYTDAW-KHPPLWFESA-N 355.419 2.709 0 1 FFAF COc1ccc([C@@H](C)NC(=O)Cn2cc(NC(=O)c3ccco3)cn2)cc1 11909648 CJLNMBSRJDVCGD-CYBMUJFWSA-N 368.393 2.614 0 1 FFAF CC(C)(C)SC(=O)C[C@@H]1NS(=O)(=O)OC[C@H]1Cc1ccccc1 12472508 ASMGDVCRGGCZJF-KGLIPLIRSA-N 357.497 2.527 0 3 FFAF O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 169327495 OHNAGFMKBFJYRG-CHWSQXEVSA-N 367.188 2.570 0 1 FFAF CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1cccs1 207329483 DWVYPFWKBZGMPD-NUXNZHGMSA-N 372.494 2.523 0 1 FFAF CCOCn1c(Cc2ccc(-c3ccccc3)cc2)c(C)c(=O)n(O)c1=O 1857769368 RVYPRDPBIIDLCD-UHFFFAOYSA-N 366.417 2.808 0 1 FFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 2356298043 OVLJPFVDUKLKNT-ZMSDIMECSA-N 350.532 2.922 0 1 FFAF CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O 102094506 JLKVLMZGGJSAFO-XKGFGPFHSA-N 355.434 2.735 0 1 FFAF COc1ccccc1[C@@H](O)CNCCOc1ccc(-n2ccnc2)cc1 26730223 VZOPMLJIWFNIAS-IBGZPJMESA-N 353.422 2.583 0 1 FFAF COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)COC3)c(F)c2)c1 28524486 ACVVUDHOLXYRNS-UHFFFAOYSA-N 357.337 2.851 0 1 FFAF C[C@@H]1CCCN(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)C1 101692026 KJCWKGGMKKAAJS-ATZDWAIDSA-N 360.473 2.899 0 1 FFAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N[C@H](Cc1ccccc1)C(=O)O 58487627 PUONKJCAZBJHHL-FZTCOJCTSA-N 365.385 2.797 0 1 FFAF CC(C)Oc1ccc2c(c1)[C@@]1(CCC2)CC(=O)N(CCCN(C)C)C1=O 27562196 ZXSCVBLSCROKBF-OAQYLSRUSA-N 358.482 2.759 0 1 FFAF CC[C@@]12CC[C@@]3(CO)[C@@H](CCC4=C5[C@@H](CC4)[C@@H](C(=O)OC)C[C@]531)CN2O 2356518541 UPUSDFICAYQOLV-JJGBUQAHSA-N 361.482 2.908 0 1 FFAF CC(C)(O)[C@@H]1Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 2356619504 IKHVEPGZVCECES-WBVHZDCISA-N 372.373 2.584 0 1 FFAF COc1cc([C@H]2CC(c3ccc(N)cc3)=NN2C(C)=O)cc(OC)c1OC 64361275 UXONERPOABEBOV-QGZVFWFLSA-N 369.421 2.992 0 1 FFAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64453640 FDDPSZVKVPUOOD-FIKGOQFSSA-N 359.385 2.868 0 1 FFAF O=C1c2cc(Br)ccc2O[C@H](c2ccc3c(c2)OCO3)[C@@H]1O 72141811 OFXFLYMEGZWBEJ-HZPDHXFCSA-N 363.163 2.855 0 1 FFAF Cc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)oc1C 72474364 MIPHVHWTFOJVRS-QGZVFWFLSA-N 360.454 2.574 0 1 FFAF Cc1c(CCC(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cn1 49049210 KJDBKYUMMLVJEK-UHFFFAOYSA-N 366.377 2.551 0 1 FFAF Cc1ccc(OC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CCO2)cn1 40762498 JQPBGRKMTKYABC-VAMGGRTRSA-N 352.434 2.800 0 1 FFAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@@H]1COc2ncsc21 220866097 LPXUIBGYWUGOJI-SNVBAGLBSA-N 359.234 2.735 0 1 FFAF O=C1N[C@H](c2ccccc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45254472 NZVFNEJFUHOFKP-SJLPKXTDSA-N 360.417 2.721 0 1 FFAF CC[C@@]12C[C@H]3CN4CCc5c([nH]c6ccc(OC)cc56)[C@@](C3)(C(=O)O1)[C@@H]42 238770370 MIEUJODFTDUMNU-ASHMLNKQSA-N 352.434 2.770 0 1 FFAF C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473087994 NCMBUSUTMQZIAP-SNVBAGLBSA-N 351.305 2.834 0 1 FFAF COC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807674 XSJUFTQDWFIYQT-CPFSXVBKSA-N 368.206 2.722 0 1 FFAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC 587394282 SUHOTWAFTUSEJA-LJQANCHMSA-N 358.394 2.879 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@@H]3C(=O)O 587206029 GQXRYTFSHAUQNA-PXAZEXFGSA-N 359.337 2.871 0 1 FFAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21NCCc2nc3ccccn3c21 962988782 YSQDQAHXNRJELH-LRTDBIEQSA-N 363.417 2.694 0 1 FFAF CC(=O)[C@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963508710 LTDBWUZQCADZKI-QFBILLFUSA-N 359.809 2.786 0 1 FFAF COC(=O)c1ccc(N)c([C@@H]2NCCc3cnc4c(OC)cccc4c32)c1 963034116 LMNYPPWSOVDHFB-FQEVSTJZSA-N 363.417 2.847 0 1 FFAF CC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O 13116536 ZMMWYAPTLFITFU-UHFFFAOYSA-N 359.451 2.818 0 3 FFAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 15066182 UBUICMFQQZPMHK-CYBMUJFWSA-N 364.829 2.522 0 3 FFAF CCN1CCN(C(=O)c2sc3c([nH]c(=O)c4ccccc43)c2C)CC1 169352956 WXFGNEQQWVQXJG-UHFFFAOYSA-N 355.463 2.829 0 1 FFAF CC(C)[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C(N)=O 204421182 KUSSVTUKEHBPSL-HNNXBMFYSA-N 370.350 2.901 0 1 FFAF CCNC(=O)c1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1 1857774058 WYUZYYZHYYWOQB-UHFFFAOYSA-N 364.449 2.583 0 1 FFAF CC(C)c1cccc(C(C)C)c1NC(P(=O)(O)O)P(=O)(O)O 13673770 KFZIZMGWCGBBGR-UHFFFAOYSA-N 351.276 2.984 0 1 FFAF O=C1N(Cc2ccccn2)C[C@@H]2CN(Cc3c[nH]c4ccccc34)CCN12 2356299647 GMLACUWURJXVAU-SFHVURJKSA-N 361.449 2.685 0 1 FFAF CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccccn1 2457372 QDMANWBXMCTCCC-UTKZUKDTSA-N 373.497 2.930 0 1 FFAF CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)CC1 21262338 CWPAESITHANDLQ-UHFFFAOYSA-N 357.527 2.547 0 1 FFAF COc1cc(C(=CCO)Oc2ccc(CCCO)cc2OC)ccc1O 2356468281 WYJQHJRXHTZJFV-UHFFFAOYSA-N 360.406 2.747 0 1 FFAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COCC(N)=N1 68248416 BBTMSQSMAGSWCB-KRWDZBQOSA-N 362.792 2.729 0 1 FFAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5OC(C)=O 2356784636 PLBDWNDRQQBXTQ-CGFGQKBYSA-N 350.462 2.727 0 1 FFAF COC(=O)c1ccccc1OCC(=O)NCCOc1ccc(Cl)cc1 7096873 ZOKYQTNGGOGQMW-UHFFFAOYSA-N 363.797 2.701 0 1 FFAF biogenic Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@H]31 36378289 DJBZJHHPGHHHCA-KYNGSXCRSA-N 364.449 2.938 0 3 FFAF CC1(N)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1 1911576655 WNFIWADQGMQPQN-UHFFFAOYSA-N 364.906 2.763 0 1 FFAF CC(C)S(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72100807 AOYBYDSYSKBPHT-CQSZACIVSA-N 359.373 2.913 0 1 FFAF COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1N 40918836 DDCHDAHCWLEFJM-UHFFFAOYSA-N 356.382 2.551 0 1 FFAF CCC[C@@H](N)[P@](=O)(O)C(=S)NCc1ccc(C(=O)OCC)cc1 49067681 MFLYFSPXIIZVPN-ZDUSSCGKSA-N 358.400 2.593 0 1 FFAF CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@H]3NN=C[C@H]23)c2ccc(F)cc2O1 299828928 JNPIMNXZTQZGNE-FVQBIDKESA-N 356.401 2.755 0 1 FFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@H]2CO 473168002 JANQRZPKOJJOQL-DXJMHBRLSA-N 368.477 2.616 0 1 FFAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)n4ccnc41)[C@@H](C2)C3=O 587436136 MCKXQVVCSXYCJQ-YCRPNKLZSA-N 358.353 2.585 0 1 FFAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)cnc2[nH]1 587182243 NIHIBAQKUBOWCZ-ZETCQYMHSA-N 371.157 2.816 0 1 FFAF CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(F)ccc21 587429656 WEWTZNLNINZKHL-VLIAUNLRSA-N 353.349 2.844 0 1 FFAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2n1 587244211 BLPSDXALPMXILK-UHFFFAOYSA-N 353.382 2.791 0 1 FFAF O=C(O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577739 ORNSPLVQUAORFM-XLIONFOSSA-N 365.341 2.981 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](O)CC(=O)O)[nH]c3c2)cc1 586890977 PWRBCHGGVWLXIG-GFCCVEGCSA-N 370.361 2.520 0 1 FFAF NC(=O)Nc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587242302 PWOKJLQZENSBSR-UHFFFAOYSA-N 351.410 2.553 0 1 FFAF CC(=O)SCCC(=O)c1c(CO)oc2cc(Br)cnc12 587275552 BOPPRHABZGHUNI-UHFFFAOYSA-N 358.213 2.935 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CC1OCCO1)c1ccco1 963604680 DXOGSYVTFLCTTH-XCLFUZPHSA-N 359.422 2.838 0 1 FFAF C[C@]1([C@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)CCCO1 962636109 OZWWTKDOFMGPHV-HFBAOOFYSA-N 359.344 2.968 0 1 FFAF CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C1 5852456 ZURLLGTYXODNBE-GFCCVEGCSA-N 373.428 2.610 0 1 FFAF CC(C)N(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1nccn1C 11664765 JCOSUYUOJNAQFF-UHFFFAOYSA-N 353.426 2.950 0 1 FFAF CNc1nc(Nc2ccc3c(c2OC)CN(C)C3=O)ncc1C(F)(F)F 169704568 GQYFSYZGBIUQLB-UHFFFAOYSA-N 367.331 2.875 0 1 FFAF Cc1ccc(-c2nn(Cc3cn(Cc4ccccc4F)nn3)c(=O)o2)cc1 1857570317 PURLSMSJYNPWIS-UHFFFAOYSA-N 365.368 2.639 0 1 FFAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CC1)C(=O)N2CC(=O)O 1857744714 GRGGHHLZUQKHJW-MRXNPFEDSA-N 356.378 2.937 0 1 FFAF COc1ccc([C@@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)O)cc1OC 1645050 AAAGUOJHUURVQP-HNAYVOBHSA-N 355.390 2.869 0 1 FFAF CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCC1 2938971 XLRYYNHSKBBNBQ-PBHICJAKSA-N 352.500 2.747 0 1 FFAF NC1=N[C@@]2(CS1)c1cc(-c3cccnc3F)ccc1O[C@@H]1CCOC[C@H]12 103253343 MSQPQQDUMJTMKR-OGWOLHLISA-N 371.437 2.942 0 1 FFAF Cc1nn(CC(=O)O)c(C)c1NS(=O)(=O)c1cc2ccccc2s1 55042305 UYLQHKHXJANHMN-UHFFFAOYSA-N 365.436 2.600 0 1 FFAF COC(=O)CCCCCCc1ccc(OCCOCC(=O)OC)cc1 2356810079 AWCKHGHJGUQVSR-UHFFFAOYSA-N 352.427 2.921 0 1 FFAF OCCN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn23)CC1 61925678 DCLGIXKDFMYUIM-UHFFFAOYSA-N 373.460 2.664 0 3 FFAF CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC 72119744 LFTRJEGVGRCFEP-INIZCTEOSA-N 361.467 2.514 0 1 FFAF O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1 43025742 MXCLECXWSGNJLS-UHFFFAOYSA-N 357.376 2.909 0 1 FFAF COc1c(O)ccc2c1C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 14442096 BXLGLBCDUIMUFL-QZTJIDSGSA-N 369.373 2.570 0 1 FFAF biogenic NCCC[C@H](Cc1cn([C@H]2CC[C@H](Oc3ccncc3)CC2)cn1)C(=O)O 261184461 WYBOFISFENYTDE-KBAYOESNSA-N 372.469 2.823 0 1 FFAF CCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 261164746 RPQBBMRWRGCDDO-KBXCAEBGSA-N 370.453 2.730 0 1 FFAF NCCC[C@@H](Cc1cn([C@H]2CC[C@H](Oc3ccncc3)CC2)cn1)C(=O)O 261184463 WYBOFISFENYTDE-SZMVWBNQSA-N 372.469 2.823 0 1 FFAF C[C@@H]1CC(=O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 299816490 BQTZQFAWZXWIHI-XVYTYHMNSA-N 357.450 2.959 0 1 FFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)cnc2[nH]1 586964815 GCOJWFBWFXPSAV-UHFFFAOYSA-N 368.470 2.723 0 1 FFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 587872452 NIEXHWBZNYOUGB-RDJZCZTQSA-N 359.401 2.591 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc(Cl)c1N 587868047 ITBUAJKJYRVONG-UHFFFAOYSA-N 370.722 2.987 0 1 FFAF O=C1C[C@H](c2cnc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587518303 FFNUYHOIOMDJEP-LJQANCHMSA-N 365.433 2.899 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@@H]2CCO)N1 587762308 SHSWIZKYTCUJQV-BTJLNZGRSA-N 371.294 2.652 0 1 FFAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 586915108 AWIGUMAWAFYRMC-MGPUTAFESA-N 374.404 2.755 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3ccc(F)cc31)O2 587386370 XTGWEKVULQLJDQ-SFHVURJKSA-N 361.394 2.754 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cnc(-c3ccncn3)s1)NCC2 962934052 IWKPALGIDCOXTR-KRWDZBQOSA-N 365.462 2.537 0 1 FFAF CN(CCc1ccc(C(C)(C)C)cc1)C1CCN(c2nc(N)n[nH]2)CC1 1772619236 IVVWECVNHGBUAT-UHFFFAOYSA-N 356.518 2.828 0 1 FFAF CNc1n[nH]c2cc(NC(=O)N[C@@](C)(COC)c3ccccc3)ncc12 1772640127 XCAMMLNFXVRZFJ-SFHVURJKSA-N 354.414 2.683 0 1 FFAF CCN(CC)C[C@H](O)CNc1ncc(C)c2c1c1cc(O)ccc1n2C 5139347 XYHNANURZLXZDK-OAHLLOKOSA-N 356.470 2.855 0 1 FFAF COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)CC(C)C)C3)nn1 12099156 BWDVWTQMTNVUEK-OAHLLOKOSA-N 355.438 2.926 0 1 FFAF CN(C)C(=O)CNCCc1cccc(OCC(F)(F)C(C)(F)F)c1 1857537273 BQETYKDISHDCOA-UHFFFAOYSA-N 350.356 2.576 0 1 FFAF Cn1nccc1-c1coc(C(=O)N[C@H]2CNCC[C@@H]2c2ccccc2)c1 1857549574 KRSXEEUTIGGBEL-SJORKVTESA-N 350.422 2.556 0 1 FFAF CCCCn1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(Cl)[nH]c(=N)nc21 1857612343 RGOBXIPHRILFRR-UHFFFAOYSA-N 357.805 2.913 0 1 FFAF O=c1c2ccccc2nc2n1CC[C@]2(O)[C@@H]1c2ccccc2N=C2CCCN21 2356375389 BEDKDIQIUJUEML-UGKGYDQZSA-N 372.428 2.869 0 1 FFAF COc1cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2CO)ccc1O 2356375484 FHYQIQMSODIFCP-IFXJQAMLSA-N 372.373 2.717 0 1 FFAF COc1ccc2nc(C[C@@H]3CN(CC4CC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305749 CFZHGUFVESMBFX-LSDHHAIUSA-N 357.454 2.937 0 1 FFAF O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 28007412 IQRVVSJZXLQUGR-WMLDXEAASA-N 364.873 2.821 0 1 FFAF O=C(COc1ccccc1F)Nc1nnc(-c2ccc3c(c2)OCO3)o1 66129280 DTTXJQBKPHFCLS-UHFFFAOYSA-N 357.297 2.622 0 1 FFAF COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2C1=O 26387674 YMAVEYCFYXTMQW-CQSZACIVSA-N 357.406 2.564 0 1 FFAF CC(=O)O[C@@H]1CC=C(C)[C@H](OC(C)=O)C[C@H]2[C@H](C)C(=O)O[C@H]2C=C1C 2356544859 GOGQNNWYPKCAMI-IHXXTUNLSA-N 350.411 2.714 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H](O)[C@]2(C)O 2356565434 CEDNNIXKNUOVGD-HSZRPRSMSA-N 354.487 2.733 0 1 FFAF Cc1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1 72183164 UDYLXYFIJLPZAV-LJQANCHMSA-N 363.446 2.544 0 1 FFAF CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)C1 73165499 UAVONERZWNDZBW-MRVPVSSYSA-N 351.332 2.775 0 1 FFAF COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 49949673 NSGBLDXWYROQLS-IBGZPJMESA-N 369.421 2.585 0 1 FFAF O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2ccsc2c1=O 49072029 WIWJJEQYHCZEJN-UHFFFAOYSA-N 351.387 2.995 0 1 FFAF Cc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2cc(O)cc(O)c12 45369766 OCJXIELEBZVHMT-UHFFFAOYSA-N 370.380 2.978 0 1 FFAF COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O 42889297 KAYBXJOOGCABPL-UHFFFAOYSA-N 370.814 2.875 0 1 FFAF CNc1nc(N2CCN(C)CC2)c2cc(-c3ccc(F)cc3)n(C)c2n1 95597993 LFLWAGUKOBXGQS-UHFFFAOYSA-N 354.433 2.568 0 1 FFAF COC(=O)C[C@H]1Oc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C 299861435 LKEPJYDAGWEIRC-CQSZACIVSA-N 351.358 2.818 0 1 FFAF O=c1c2cccnc2ncn1Cc1noc(CCc2ccc(Cl)cc2)n1 653735443 FWYRYRIWMHHWCG-UHFFFAOYSA-N 367.796 2.661 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC[C@H](N)C(=O)O)(c1ccccc1)O2 587389258 JOCRSRMUYXIMTQ-MGPUTAFESA-N 354.406 2.630 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn(C)c2=O)N1 587775112 QNKGPUJNRWELHG-BJOHPYRUSA-N 351.219 2.911 0 1 FFAF CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)o1 586931361 RUHFXRKZYOOFQC-UHFFFAOYSA-N 361.210 2.775 0 1 FFAF CC[C@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587759706 MEKXGKRXXJBALW-PSLIRLAXSA-N 353.239 2.905 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(F)CCOC2=O)N1 587722531 SHDGFLQHYIFMFU-KBOAJJQZSA-N 360.198 2.993 0 1 FFAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nc(S)nc3[nH]2)s1 587023871 QUAWTRDZQUFGKU-UHFFFAOYSA-N 366.428 2.818 0 1 FFAF CCc1cc(O)nc(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)n1 586967050 SKLUTVVYIXWQTA-UHFFFAOYSA-N 357.439 2.615 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C)N1 587766144 FQCJYBPWGHYEIO-XODPVKTHSA-N 369.278 2.811 0 1 FFAF COc1cc(Sc2cccc3nc(N)nc(N)c23)cc(OC)c1OC 5888836 SKAUOJONUSQFNW-UHFFFAOYSA-N 358.423 2.971 0 1 FFAF Cc1c(CNc2ccc(Br)cc2)cnc2nc(N)nc(N)c12 5891488 XPCJHZXMQUMYFF-UHFFFAOYSA-N 359.231 2.872 0 1 FFAF CCN(CC)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C 13832074 YQPKPBAXJUYWHH-UHFFFAOYSA-N 360.454 2.659 0 1 FFAF COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 14723717 KAYRJPGARKNUEX-AKMLYSQKSA-N 356.418 2.874 0 1 FFAF endogenous,in-man CC(C)c1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1cc(Cl)ccc1Cl 1857540986 HFMVMRPRLVCNID-UHFFFAOYSA-N 352.225 2.851 0 1 FFAF O=C1NC(=O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1C1=CN2CCCC3=CC=C[C@@H]1[C@H]32 1857573879 CXLGDSFMCPYYAM-ZEWNOJEFSA-N 371.440 2.998 0 1 FFAF CC(C)[C@H](Nc1nc2ccccc2c(=Nc2cccc(CN)c2)[nH]1)C(=O)O 1857747283 SBAJWMCMBZQORT-KRWDZBQOSA-N 365.437 2.775 0 1 FFAF C[C@@H]1C[C@H](O)[C@H](C=CC=Cc2cc3c(Cl)c(O)cc(O)c3c(=O)o2)O1 2356348992 OQCHWPMKMLHBAH-LYSGOOTNSA-N 364.781 2.965 0 1 FFAF CCN1CCC[C@H]1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C 7005337 QWYNKDMUUZXLJJ-INIZCTEOSA-N 363.483 2.721 0 1 FFAF CC(=O)c1ccc(N2CCN(CC[C@@H](O)COc3ccccc3)CC2)cc1 29484670 WGZYTWYDNQPWQQ-OAQYLSRUSA-N 368.477 2.841 0 1 FFAF Cn1cc(-c2cnn3c(N)c(-c4ccccc4)c([C@H]4CCCNC4)nc23)cn1 60327277 BPTHRKUALRLORQ-HNNXBMFYSA-N 373.464 2.846 0 1 FFAF c1ccc(-c2n/c(=N\CCN3CCOCC3)sn2-c2ccccc2)cc1 101506360 DUDNZBPCJBAIFT-QZQOTICOSA-N 366.490 2.834 0 1 FFAF CCc1nc(N)nc(N)c1-c1ccc2[nH]c(-c3ccc(F)cc3)[n+]([O-])c2c1 101487674 FYWOQISAGSZCGO-UHFFFAOYSA-N 364.384 2.791 0 1 FFAF COc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1OC 28889927 TXLNOFRGNOWXJK-UHFFFAOYSA-N 367.409 2.697 0 1 FFAF C[C@@H]1CC[C@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 64586081 MVTNSOOORIFBMO-KJEVXHAQSA-N 354.244 2.508 0 1 FFAF COc1ccc([C@@H]2CC(c3ccc(S(C)(=O)=O)cc3)=NN2C(C)=O)cc1 66262135 UYIIURKRIHGLNP-IBGZPJMESA-N 372.446 2.796 0 1 FFAF N[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CC1c2ccccc2Oc2ccccc21 26938896 PEXNVLBTVVVKBD-QCSYZSNVSA-N 353.374 2.673 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C(=O)CO)CC[C@H]12 2356549108 RHQQHZQUAMFINJ-UETWMYIBSA-N 350.499 2.538 0 1 FFAF COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 36011792 GMWLCSUIZDDHPL-QUCCMNQESA-N 373.424 2.612 0 1 FFAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1O 14760258 JSRLRXYURNHHDK-CABCVRRESA-N 356.374 2.704 0 1 FFAF biogenic CC(C)c1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231392 HAOWMRDZBCRGTM-UGSOOPFHSA-N 352.438 3.000 0 1 FFAF CNCc1cc(S(N)(=O)=O)ccc1Cc1ccc(Cl)c(Cl)c1 40935205 FFJCCOLDJHZNND-UHFFFAOYSA-N 359.278 2.951 0 1 FFAF CCOP(=O)(OCC)[C@H](O)c1cc2cc(C)ccc2n2nnnc12 49051544 BNPPOVMHAYPBDV-HNNXBMFYSA-N 350.315 2.843 0 1 FFAF C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1 141965118 ZXENUOPVCDPWKD-VIFPVBQESA-N 357.237 2.715 0 1 FFAF CC1=C2[C@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@@H](O)[C@@H]2O)OC1=O 238744779 UBMHMIZHPPOKIP-ZTBAOBPYSA-N 350.455 2.654 0 1 FFAF N[C@@H](c1ccsc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587025920 SOZRDXRITKCSGK-LBPRGKRZSA-N 352.423 2.732 0 1 FFAF COC(=O)c1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cn1 587080493 DHWRHLCNWQFZLH-UHFFFAOYSA-N 358.785 2.999 0 1 FFAF CS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075742 JVTDFPHZNMHPGY-UHFFFAOYSA-N 373.825 2.868 0 1 FFAF Cc1cnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 587183443 YWOJZVPZCFPSLZ-SECBINFHSA-N 367.194 2.985 0 1 FFAF O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O 586989313 DOXXKWALUWGZEI-GXFFZTMASA-N 356.381 2.928 0 1 FFAF CC(=O)OCC[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962638727 MHXNBRZFJWNLKF-UXHICEINSA-N 356.422 2.502 0 1 FFAF NC(=O)N1CCc2sccc2[C@@H]1c1cc(I)c[nH]1 962709965 KZSQRSOGXRFJRM-LLVKDONJSA-N 373.219 2.707 0 1 FFAF O=C(O)CCCCCC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1 13440549 CQAFKURLWJZDPS-UHFFFAOYSA-N 359.470 2.936 0 1 FFAF C[C@@H]1C(=O)N(C(=O)C(C)(C)C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443207 UTUGGFICDHIGEE-CWRNSKLLSA-N 358.438 2.817 0 1 FFAF CCN(CC)CCCCn1cnc2c(=O)nc(Nc3ccccc3)[nH]c21 13644870 TWNRXMZBBMQYIO-UHFFFAOYSA-N 354.458 2.985 0 1 FFAF COc1ccc([C@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC 14642222 BQRGYTVSAXRQKZ-CKJXQJPGSA-N 372.417 2.971 0 1 FFAF COc1cc2c(cc1OC)[C@@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 14723721 KAYRJPGARKNUEX-VQSFYLIISA-N 356.418 2.874 0 1 FFAF endogenous,in-man Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@H]3F)cc2c[n+]1[O-] 169700124 CKFKKGDOSWBOHE-GXTWGEPZSA-N 356.332 2.674 0 1 FFAF CC(C)[C@H](CO)NCc1nc(-c2cnc(C(F)(F)F)nc2)ccc1F 204412770 JUBPVQKUBPQQPG-AWEZNQCLSA-N 358.339 2.803 0 1 FFAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1cccc(-c3ccc(F)cc3)n1)C2 209500090 BAXMCINBPOCTBO-CYBMUJFWSA-N 356.313 2.832 0 1 FFAF CN(C)c1nc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cs1 1857533611 VVMWEGQGLRGNFP-UHFFFAOYSA-N 365.462 2.806 0 1 FFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(CC(=O)O)cc3)sc2n1 1857586670 ZSVMAHCKAXAIFE-UHFFFAOYSA-N 369.446 2.787 0 1 FFAF COc1ccc(-n2cnc3cc(C(=O)NC[C@H]4CCCO4)ccc32)cc1 2926117 AOKSTIKZNVHVCR-QGZVFWFLSA-N 351.406 2.943 0 3 FFAF CN1CCC(NC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)CC1 2356300924 ZROHYBZTCHXMEV-QGZVFWFLSA-N 360.889 2.786 0 1 FFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCC2CC2)O3)cc1 61904150 LXERCYALRJSJAI-NRFANRHFSA-N 365.433 2.927 0 3 FFAF COC(=O)[C@@H]1c2cc(C(=O)O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12 2356643393 RLVRXRFSOZQLOI-XWYPRVOQSA-N 360.406 2.892 0 1 FFAF CCOC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 136845307 ZGOHPVFFWMLVKD-KRWDZBQOSA-N 366.465 2.924 0 1 FFAF Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)nc3cc[nH]c(=O)c23)c1 45324203 AHCXENWSIKCTSI-CQSZACIVSA-N 350.426 2.534 0 1 FFAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1ccccn1 49036799 IKQJYEKVFJCZMM-KGLIPLIRSA-N 368.824 2.518 0 1 FFAF CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1 40423480 IXMNYLMWWGRTJQ-UHFFFAOYSA-N 352.398 2.698 0 1 FFAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 82083942 IRHQXNPGPLLLSF-LBPRGKRZSA-N 371.418 2.702 0 1 FFAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)cn1 149136348 CAVPDUPKFCVXKI-UHFFFAOYSA-N 369.428 2.940 0 1 FFAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)C2CC2)c1=O 25208389 FUYGLAKLDKIWRU-HIFRSBDPSA-N 371.481 2.579 0 1 FFAF biogenic C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(CC)C(C)=O)cc1 95895500 WZZBQVBPQMPBSP-CWOBBREISA-N 370.493 2.653 0 1 FFAF CCC[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149295208 PCABGJMPWSJFMR-CJNGLKHVSA-N 367.243 2.567 0 1 FFAF CCCO[C@H]1CCCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)C1 92028830 PRTSAMADSFDOMJ-LBPRGKRZSA-N 362.455 2.645 0 1 FFAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12 95602511 HFEZTZIGAQWZAW-LBPRGKRZSA-N 350.371 2.576 0 1 FFAF COc1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2n1 587218151 GHDNXQISKAOWAB-UHFFFAOYSA-N 370.409 2.546 0 1 FFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(O)ncn1 587657075 SKPZXCLRZARFIK-UHFFFAOYSA-N 352.300 2.827 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccnc2)N1 587776962 ZIJXSTZYYKQZDE-JDNHERCYSA-N 365.202 2.846 0 1 FFAF CCCCc1cc(=O)oc2cc(OCc3nc4c(N)ncnc4[nH]3)ccc12 586918047 HOBFVVYMJCFJOO-UHFFFAOYSA-N 365.393 2.963 0 1 FFAF COC(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517731 TXASYRHMMNLKJB-HXUWFJFHSA-N 354.406 2.723 0 1 FFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc2c(nc1O)CCOC2 963608360 KRBHHCCWDXGGLD-WYRIXSBYSA-N 356.422 2.501 0 1 FFAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@]2(CCOC[C@H]2F)N1C3 962639424 QJYDWOSVWLAQGJ-NQYLQCIDSA-N 362.445 2.905 0 1 FFAF c1ccc([C@H](CN2CCN(c3cnccn3)CC2)NCc2ccccn2)cc1 198335626 LOVBLJSWLYAHPR-NRFANRHFSA-N 374.492 2.525 0 1 FFAF CCNc1n[nH]c2cc(NC(=O)NCc3c(F)cccc3OC)ncc12 1772649857 CBAUYLGXQCFNEO-UHFFFAOYSA-N 358.377 2.859 0 1 FFAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccccc12 12343979 IBKOYZAYWVWDQR-UHFFFAOYSA-N 351.387 2.682 0 1 FFAF C[C@H]1C(=O)CCCCCCCCC[C@@H]2[C@@]1(N1CCOCC1)CS2(=O)=O 13143513 SHVUHSCYXGXOEY-QXAKKESOSA-N 371.543 2.584 0 1 FFAF CCCn1cc2c(nc(NC(=O)NC(C)C)n3nc(-c4ccco4)nc23)n1 13672056 FHWNGTHQIYXIFD-UHFFFAOYSA-N 368.401 2.674 0 1 FFAF CCOC(=O)[C@](O)(c1ccc(/N=c2\ccccn2C)cc1)C(F)(F)F 17921294 ZMIOOEURGBTSBE-ZFMLPXDISA-N 354.328 2.571 0 1 FFAF COC(=O)C1=C[C@@]23C=C(C)CC[C@H]2[C@@]2(C)[C@@H]1C(=O)[C@H](C(C)C)C[C@@]2(O)O3 166406946 HGYRHUKDRSSJDP-VKCVDHNXSA-N 360.450 2.781 0 1 FFAF Cc1cccc2oc(=O)c3c(c12)CCN(C(=O)c1ccc(C(=O)O)cc1)C3 1857536164 CEKSFWSPRIFGTB-UHFFFAOYSA-N 363.369 2.998 0 1 FFAF COCC(=O)N1CCC2(CCCN(C(=O)Nc3cccc(F)c3)C2)CC1 3956172 GOGARFLJGUUVRK-UHFFFAOYSA-N 363.433 2.709 0 1 FFAF COc1cc2c(c(OC)c1OC)-c1ccc(N(C)C)c(=O)cc1[C@@H](N)CC2 6437359 QLWPRMAGTWQOGJ-HNNXBMFYSA-N 370.449 2.752 0 1 FFAF CCN(Cc1ccccc1)C[C@H](O)COc1cc(F)c2[nH]c(=O)ccc2c1 27182782 HIEDBRBKDLSOKS-KRWDZBQOSA-N 370.424 2.929 0 1 FFAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4F)C[C@@H]2N3)cc1 100109019 USVXCIRVBCJGRA-MVLDVHMKSA-N 372.465 2.987 0 1 FFAF COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(Cl)ccc2n1 28817367 PDHCDIHAAMNZSD-HUUCEWRRSA-N 352.818 2.965 0 1 FFAF COc1ccc(C(=O)N2C[C@H]3CN(c4cccc(C)n4)C[C@@H]3C2)c(OC)c1 116821620 VCUXGBUTMCUPAO-HZPDHXFCSA-N 367.449 2.616 0 1 FFAF CCCCO[C@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O 28530850 GYPDRBBZPZEGBL-YJBOKZPZSA-N 361.467 2.828 0 1 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@@H]2C[C@@H]2COC(=O)[C@@]21O 2356646914 TVGJRQSGUWVHFC-OQFKKKJMSA-N 358.390 2.534 0 1 FFAF c1coc(CNc2nc(NCCN3CCOCC3)nc3ccccc23)c1 66075744 IWVMUECTOVYBFK-UHFFFAOYSA-N 353.426 2.579 0 1 FFAF COc1ccc2c(c1)CCN(Cc1cc(C(=O)O)c(=O)n3ccccc13)C2 66076956 MCNAYSUFEHOMHV-UHFFFAOYSA-N 364.401 2.565 0 1 FFAF CC(C)(C)n1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1 218310820 UOZDZDWZIHAEJG-UHFFFAOYSA-N 365.437 2.979 0 1 FFAF O=C1NC(=O)C(c2c[nH]c3cc(O)ccc23)=C1c1c[nH]c2cc(O)ccc12 13372394 UDSNXTIQGIGPLE-UHFFFAOYSA-N 359.341 2.628 0 1 FFAF biogenic CCC(=O)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1 71317817 NOXPNJISIJGPOB-UHFFFAOYSA-N 352.398 2.569 0 1 FFAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)nc2)cn1 49125061 SDCDPMVLBHJOLH-UHFFFAOYSA-N 366.402 2.605 0 1 FFAF C[C@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142943426 CFSZGVBQVHHAJP-SECBINFHSA-N 374.338 2.917 0 1 FFAF COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2C 299868163 RAQZTPGLYCRCFJ-UHFFFAOYSA-N 370.405 2.535 0 1 FFAF CCS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154479 PXFQBEFSTRTKNO-SCLBCKFNSA-N 359.426 2.837 0 1 FFAF CC1=C(c2ccc3nc([C@H](C)Sc4ncccn4)[nH]c3c2)NNC(=O)C1 586963730 OADCUQUOMZHWEA-NSHDSACASA-N 366.450 2.962 0 1 FFAF CCOC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587129424 YWSYJHBFONLUEV-UHFFFAOYSA-N 358.308 2.782 0 1 FFAF NS(=O)(=O)c1ccc(CCc2nc3ccc4ncccc4c3[nH]2)cc1 586930781 XXAGQAMSWDHMSL-UHFFFAOYSA-N 352.419 2.544 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C)c(=O)c2)N1 587775407 RREHIFIIFGTKFB-XXFAHNHDSA-N 351.219 2.911 0 1 FFAF C[C@@]1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587153898 BENHLZBDENATDV-SFHVURJKSA-N 373.409 2.897 0 1 FFAF CC(C)c1nn(C)c2c1[C@H](c1cn(CC(=O)O)c3ccccc13)NCC2 962917596 FZUFLWTXMPDPLV-FQEVSTJZSA-N 352.438 2.818 0 1 FFAF NS(=O)(=O)c1ccc(-c2ccc([C@H]3NCCc4ccc(O)cc43)o2)cc1 963330329 WYZLMNNBNCDVNN-IBGZPJMESA-N 370.430 2.535 0 1 FFAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(Sc4nc[nH]n4)o3)c3cccc1c32 963026847 NIHVJBLLXYHCDQ-QGHHPUGFSA-N 367.434 2.692 0 1 FFAF CC(C)n1ncc2c(O)nc([C@H](C)N3CC(Oc4ccccc4)C3)nc21 1772645142 ACGQEEIBQUHXCU-ZDUSSCGKSA-N 353.426 2.937 0 1 FFAF COc1ccc(CC(=O)NCCN2Cc3cc(C)ccc3O[C@H](C)C2)cc1 11841682 ICQPMIALNSTGFZ-QGZVFWFLSA-N 368.477 2.945 0 1 FFAF CCc1ccn2c(=N)c(S(=O)(=O)c3ccccc3)c(SC)nc2c1 13528552 BOCANXVJTHCSDS-UHFFFAOYSA-N 359.476 2.931 0 1 FFAF Cc1nn(C)c(OC[C@H](O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1 13555929 YQVOTAMVRSXTIR-GOSISDBHSA-N 373.497 2.818 0 1 FFAF C[C@@H](O)C[C@H]1O[C@@H]1/C=C\C=C\c1cc2c(Cl)c(O)cc(O)c2c(=O)o1 14637336 CAMTVDHHRVKTTB-GTMNPGAYSA-N 364.781 2.965 0 1 FFAF COCCOCC(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207731967 AZIFYJOMKBTQNY-UHFFFAOYSA-N 362.470 2.919 0 1 FFAF COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C 770345 WQMDPWQKDSBDFJ-ICSRJNTNSA-N 367.449 2.941 0 1 FFAF Cc1cc(C)cc(-n2ccn3c(CC(C)(C)CC(=O)O)nnc3c2=O)c1 8830861 OPGGQPSVDSGJPF-UHFFFAOYSA-N 354.410 2.540 0 1 FFAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@H](C4)[C@@H]3[C@H]1C 101742696 ILXJSQQEACLYCI-XPQBCPPTSA-N 353.462 2.903 0 1 FFAF CNC(=O)c1ccc(C)c(Nc2nc(N)nc3c2cnn3-c2ccccc2)c1 29048652 FCRBCMOVJUGGHZ-UHFFFAOYSA-N 373.420 2.809 0 1 FFAF COC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)S(C)(=O)=O 36383020 JIKDSFSEIUYVNJ-SFHVURJKSA-N 361.463 2.541 0 1 FFAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)n1 8622921 UAQDQCLPDPZLNI-UHOSZYNNSA-N 352.482 2.688 0 1 FFAF biogenic CC[C@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 73403681 LUPCHAFIKZSOOK-HUBLWGQQSA-N 373.482 2.565 0 1 FFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1 73196421 NQGIVGGFNIKUAD-CQSZACIVSA-N 365.499 2.563 0 1 FFAF CCCc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 72107772 GDJZCYJKHCZKAI-UHFFFAOYSA-N 360.435 2.936 0 1 FFAF COc1cc2nc(N3CCC(O)CC3)nc(NCC(C)C)c2cc1OC 82127679 WZYLIANTIXZFKV-UHFFFAOYSA-N 360.458 2.676 0 1 FFAF CN(C)CCN1C(=O)c2cccc3cc(N4CCSCC4)cc(c23)C1=O 40862562 SFJSJTXGOGHESG-UHFFFAOYSA-N 369.490 2.551 0 1 FFAF CC(C)C[C@@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C 96020528 CPMFQIWHIQLAIV-CQSZACIVSA-N 370.540 2.667 0 3 FFAF O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25429906 BXZSQDVQQXWGOT-ZBFHGGJFSA-N 372.465 2.707 0 1 FFAF biogenic COc1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565558 ICIOFWMMRXLUJM-UHFFFAOYSA-N 362.788 2.863 0 1 FFAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O 144315414 XSTMCTGXVAPZAT-MRVPVSSYSA-N 350.371 2.654 0 1 FFAF CN(CCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Cc1ccccc1 253664933 JCQWKPHRUQWHIZ-GFLQDLJJSA-N 350.462 2.562 0 1 FFAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)N3CCN(C)CC3)cc2)C1 261181596 WGDBSIUKEGGNAD-PXNSSMCTSA-N 371.529 2.529 0 1 FFAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 586890307 OCXYSQFKLSXPHB-SCLBCKFNSA-N 373.478 2.959 0 1 FFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(N)ccnc2[nH]1 586985628 WVJNWADBLDYLTK-ZDUSSCGKSA-N 374.242 2.723 0 1 FFAF COC(=O)c1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cn1 586997023 LNUZIEPBNDOENP-CYBMUJFWSA-N 362.183 2.589 0 1 FFAF CCOC(=O)CCOCCCOCCc1nc2cc(C)c(F)cc2[nH]1 587566945 CJSKRJMHCGNLFL-UHFFFAOYSA-N 352.406 2.929 0 1 FFAF FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cnc2ncnn12 587128551 OSZOJZNGVOKOSZ-UHFFFAOYSA-N 366.234 2.927 0 1 FFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 587786985 UAJFAICGZLTSKL-VHSXEESVSA-N 358.448 2.874 0 1 FFAF COc1ccoc1[C@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962648358 ZOGPVXMOPNBKTL-YPMHNXCESA-N 357.284 2.875 0 1 FFAF C[C@]1(c2cccnc2N)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962719064 RQIDIOQQANDPBO-CZUORRHYSA-N 369.318 2.684 0 1 FFAF COc1cccc([C@@H]2NCCc3c(C(=O)O)cccc32)c1OCCN(C)C 963132675 RTEYTYKJXUAIKF-LJQANCHMSA-N 370.449 2.569 0 1 FFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4cc(C)ccc4C3)n2)c1 1772578271 SXWIFHCRAKZNLT-UHFFFAOYSA-N 374.448 2.846 0 1 FFAF CCN1c2ncc(CCc3cncnc3)cc2C(=O)N(C)c2cccnc21 5842347 CCLSSWNMCMQYPS-UHFFFAOYSA-N 360.421 2.800 0 1 FFAF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 17105162 RGXKJLTVROJBKZ-ZQRMUBBMSA-N 354.450 2.815 0 1 FFAF COc1ccc(S(=O)(=O)Nc2cncc(C(=O)O)c2)c2ccccc12 1857653817 AJVJYAHSMXJDHB-UHFFFAOYSA-N 358.375 2.742 0 1 FFAF Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 1857747815 QJRUWJLIWPWNRQ-OAQYLSRUSA-N 352.526 2.954 0 1 FFAF COc1ccc([C@@H]2C(=O)NC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 1857760426 KNJVDOCKBBRPTC-MRXNPFEDSA-N 372.377 2.519 0 1 FFAF O=C1CCc2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc21 1149165103 JAFWBQRYWNPFPG-UHFFFAOYSA-N 364.401 2.507 0 1 FFAF COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1ccccc1)c1ccc(OC)c(OC)c1 1645073 NCBACGVNPSVGJA-JXFKEZNVSA-N 369.417 2.957 0 1 FFAF O=C(COC(=O)Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2 4005171 DTKWCGWPGQXIBD-UHFFFAOYSA-N 373.478 2.567 0 3 FFAF COc1cc(Cc2cnc(N)nc2N)cc2c1N[C@@](C)(CF)C=C2CF 29564739 XGIOTZBUWCNJCW-GOSISDBHSA-N 361.396 2.747 0 1 FFAF CCCCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2107820 HIHACWBACTXZNO-OAQYLSRUSA-N 369.465 2.809 0 1 FFAF biogenic C=C(C(=O)OC)C1=C[C@]2(O)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1=O 13337150 LOBYRCPBPVLZQV-WRXHGITGSA-N 362.466 2.559 0 1 FFAF biogenic CC(=O)CC[C@@H]1C(C)(C)CCC[C@]1(C)[C@]1(O)CC[C@@](C)([C@H](O)CO)O1 13378504 IDKBXCBUWFRPAZ-CJGGRQNCSA-N 356.503 2.799 0 1 FFAF biogenic CCN1CCN(c2ncc(C)c(N[C@@H](C)[C@H]3CCC[C@@H](OC)C3)n2)CC1 82202680 JPVIQWFSMNSFQB-OKZBNKHCSA-N 361.534 2.933 0 1 FFAF C/C1=C\CC[C@@](C)(O)[C@H](O)C[C@@H]2CC[C@](C)(OC(=O)[C@H]2C)[C@H](O)CC1 238786507 JYRNLNBXLZDLIM-GWGBSKBXSA-N 354.487 2.718 0 1 FFAF COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]2C 263621323 YZZBBYUVOSVRJT-OZTXFIFESA-N 350.499 2.680 0 1 FFAF in-vitro C[C@@H]1CCc2cc(C(=O)N3CCC3)ccc2N1C(=O)c1ccc(O)cc1O 653667296 JMIVUIMGDJZLIG-CYBMUJFWSA-N 366.417 2.925 0 1 FFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC(C(=O)O)=C2)N1 587832347 JOPUWAPUYXZSBE-AYVTZFPOSA-N 354.175 2.830 0 1 FFAF Nc1ncnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183173 BJBIGFIGWBLWSN-SNAWJCMRSA-N 363.162 2.710 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C1)CC2=O 587485761 QUTZTCOPXJVATI-MAHKOILQSA-N 359.422 2.521 0 1 FFAF CCOc1cc(-n2c(O)cc(CCC(=O)O)c2O)c(Cl)cc1C(=O)O 587942187 WAGUYAFWEMHUHS-UHFFFAOYSA-N 369.757 2.656 0 1 FFAF Cc1c(-c2nc3ccc(C(N)=O)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073563 JUEAEBLWODEKMB-UHFFFAOYSA-N 366.812 2.930 0 1 FFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587205195 ZINGZPGSJZYAGB-LBPRGKRZSA-N 372.347 2.540 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 587793700 KJYGRBYLVBHSQP-KWKYVRJSSA-N 368.206 2.807 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 587771179 FQCJYBPWGHYEIO-JCKZUZKGSA-N 369.278 2.811 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 587028724 ZOIZPYZIQGIYHU-HNNXBMFYSA-N 364.496 2.703 0 1 FFAF CCOC(=O)C(=O)[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441374 KEIBMBQJCAOKMK-ARGWCVDVSA-N 358.390 2.504 0 1 FFAF CC[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582040 NHJSEAAPIGVBDZ-HNAYVOBHSA-N 351.362 2.788 0 1 FFAF COc1cc(C(N)=O)ccc1NC(=O)NC(=O)c1ccc(F)cc1Cl 13673949 RUXRAQIUUGFIFU-UHFFFAOYSA-N 365.748 2.549 0 1 FFAF CC(C)COC(=O)[C@@H]1C(=O)Oc2ccccc2[C@@H]1C(=O)NC1CCCCC1 205523651 OCZYDCSUZZQPKY-ZWKOTPCHSA-N 373.449 2.954 0 1 FFAF CN(C)CCOc1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2 205633735 KZPIDNROXKCUQP-UHFFFAOYSA-N 369.446 2.956 0 1 FFAF O[C@H](CNc1ccc(Br)cc1)Cn1nnnc1-c1ccccc1 6786274 ROQYYSKGAUFACS-OAHLLOKOSA-N 374.242 2.576 0 1 FFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100640795 YQNZUKAKYJMEFE-KEIZBESESA-N 374.440 2.792 0 1 FFAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@H](O)C1(C)C 27769470 FTIQBISGSZPQKG-AMRPNQTASA-N 357.494 2.997 0 1 FFAF Cn1cnc2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc21 28950567 DKRWNOCNKJWJED-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF N[C@H]1CN(c2cnc3cccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707342 MRIUJCURPDUJHH-BMIGLBTASA-N 359.355 2.763 0 1 FFAF O=CN(C=CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 4267644 ZYWJIUGHHYWMLI-UHFFFAOYSA-N 369.377 2.684 0 1 FFAF biogenic COc1cc2c(cc1O)CCN(C)[C@H]2[C@@H]1OC(=O)c2c1ccc1c2OCO1 14414501 IDRRBLYLLIIGSH-QZTJIDSGSA-N 369.373 2.570 0 1 FFAF biogenic CCCCCC(=O)C[C@@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN12 14919645 RKTWGMYTKBSCLV-RBUKOAKNSA-N 363.546 2.805 0 1 FFAF biogenic CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 82163324 ZAOWLVUQRXWTSO-UHFFFAOYSA-N 351.410 2.963 0 1 FFAF CN1CCN(c2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)CC1 586906310 KZPDRBLPSYUHEJ-CPNJWEJPSA-N 360.417 2.983 0 1 FFAF CCOC(=O)[C@H]1CCSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454498 XGKDKGCJHBJPGJ-PJIJBLCYSA-N 362.447 2.888 0 1 FFAF O=C(c1cc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658780 UIMWDKSFYKNVTM-UHFFFAOYSA-N 352.300 2.753 0 1 FFAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc[nH]c(=N)c2[nH]1 587113721 STZRAHMYENANPE-MRXNPFEDSA-N 363.343 2.789 0 1 FFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)ncnc2[nH]1 587198883 UVGVKIPYFSHLQN-UHFFFAOYSA-N 360.377 2.584 0 1 FFAF Cc1cc(Br)cnc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909227 KUHZODOAEWIFIQ-WFASDCNBSA-N 365.202 2.980 0 1 FFAF Cc1c(O)ccc2c1[C@H](c1nccnc1-c1cccs1)N[C@H](C(=O)O)C2 963474547 WDGTUERGSUMKAM-YVEFUNNKSA-N 367.430 2.907 0 1 FFAF Nc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccn1 962709742 RLYCRYHEBKAAOR-GXTWGEPZSA-N 355.291 2.510 0 1 FFAF O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 13560176 OATZTRPAOPUZBS-UHFFFAOYSA-N 370.280 2.655 0 1 FFAF CCc1cc(CNC(=O)c2ccc(OC)c(OCCN3CCCC3)c2)on1 169303457 JPUKWFXWYMVMGS-UHFFFAOYSA-N 373.453 2.650 0 1 FFAF CN(C)CCCOc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1 164781912 QIZHAKZFDHTVCE-UHFFFAOYSA-N 363.425 2.741 0 1 FFAF COc1ccc(CNC(=O)c2sc3c(c(C)cc4ncnn43)c2N)cc1 1857588059 LHLOJCZIPPOOFM-UHFFFAOYSA-N 367.434 2.773 0 1 FFAF O=C1NS(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 602422 ROGLPPVVAYRNNA-UHFFFAOYSA-N 357.218 2.988 0 1 FFAF Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 1645749 AXDQWOUUBIAQQJ-KDOFPFPSSA-N 362.861 2.872 0 1 FFAF Oc1ccccc1Oc1ncc(Br)c(N2CCOCC2)n1 2488754 PFSOSTBHAWTKKQ-UHFFFAOYSA-N 352.188 2.574 0 3 FFAF COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 6484683 GHTLZEXBRLQMFS-OAHLLOKOSA-N 369.373 2.604 0 1 FFAF COc1ccc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2CO)cc1OC 2356375672 IATWXYMZKVGQLC-JXFKEZNVSA-N 372.417 2.928 0 1 FFAF CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C 7005335 QWYNKDMUUZXLJJ-MRXNPFEDSA-N 363.483 2.721 0 1 FFAF O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@@H]2C[C@@H]12 103260425 HIOMOGJGDYPGSP-RTBURBONSA-N 353.466 2.942 0 1 FFAF COc1cc2c(cc1O)[C@@H](O)[C@@H](c1ccc(OC(C)=O)cc1OC)CO2 2356556494 CZKYGETXMUWXNW-AUUYWEPGSA-N 360.362 2.544 0 1 FFAF C=C=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356672393 IBSJROLODHILHS-AOIWGVFYSA-N 352.434 2.580 0 1 FFAF Cc1cccc(-n2ccnc2CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 36385789 OXIBARUOZWKJQP-OAQYLSRUSA-N 368.525 2.992 0 3 FFAF CCCNc1nc(S(C)(=O)=O)nc2c1cnn2/C=C\c1ccccc1 71316497 PQVNKMZSDXTGQJ-LUAWRHEFSA-N 357.439 2.680 0 1 FFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](NS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 84689887 QLIJDTTVUNSTPX-LUJOEAJASA-N 368.543 2.760 0 1 FFAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3cccc(F)c3)ncnc21 82184719 FXKMQNVKLWUVAR-UHFFFAOYSA-N 368.416 2.591 0 1 FFAF COc1ccc(-n2cnc3c(sc4ncnc(NC5CC5)c43)c2=O)cc1 95563489 DBUMITZHDMTTNX-UHFFFAOYSA-N 365.418 2.973 0 1 FFAF in-vitro CC(=O)N[C@@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1 586985717 QOJDGYQUQDRWOM-LBPRGKRZSA-N 360.215 2.535 0 1 FFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nn2)N1 587793128 JWYFVBZVVKDHAW-AYVTZFPOSA-N 352.207 2.882 0 1 FFAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 587198497 HDPOUSJSWDXVIS-INIZCTEOSA-N 352.504 2.852 0 1 FFAF Oc1nncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999017 RZWZNLBVHIMOJP-OWOJBTEDSA-N 361.155 2.720 0 1 FFAF Cc1nc(=N)[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577919 UUZNHRVAZRODNU-OXQOHEQNSA-N 363.373 2.780 0 1 FFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1COCCO1 587863254 WHGZNJQSQUHIJW-CYBMUJFWSA-N 356.300 2.633 0 1 FFAF COc1nccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587039502 YEHAGEIXMYGFLI-SECBINFHSA-N 370.438 2.714 0 1 FFAF N=c1[nH]cc2nc(-c3sc4cc(Br)ccc4c3N)nc-2[nH]1 587032954 WHPJVPNZDGPCCY-UHFFFAOYSA-N 361.228 2.943 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCNC2=O)N1 587791063 DZFFQVQDPGYKMQ-ZYSBLVPFSA-N 355.251 2.864 0 1 FFAF O=C(O)CCN(CCc1nc2c(Cl)ncnc2[nH]1)Cc1ccccc1 587193190 DOXVWTWRNRPMHL-UHFFFAOYSA-N 359.817 2.526 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587449442 JPSJACFNTBWXET-IFTWRKMESA-N 370.401 2.661 0 1 FFAF COc1ccc(CCNc2nc3cc(N(C)C)ccc3c(=O)n2C)cc1 1772649457 MXPMMMQVHCUTAT-UHFFFAOYSA-N 352.438 2.663 0 1 FFAF Cc1cc(C)c2c(=O)n(CN3C[C@H]4Nc5ccccc5[C@@H]4C3)sc2n1 5596698 WPBHZIGUJVFMIY-GOEBONIOSA-N 352.463 2.926 0 1 FFAF CCCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O 13776415 KPUHIKPUMZDPAD-CMDGGOBGSA-N 358.829 2.668 0 1 FFAF O=C(OCCc1cccc(O)c1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833615 GTLKHUCYVNUDSM-UHFFFAOYSA-N 359.765 2.992 0 1 FFAF CC(=O)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1O 1857628017 QWTLFDPRQQXISB-UHFFFAOYSA-N 369.465 2.971 0 1 FFAF Cc1c(OCCN2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 1894412 CVOITCRVIKSUNV-UHFFFAOYSA-N 372.465 2.803 0 1 FFAF CCN(CC)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2009695 CCHIICCEKRYUNR-UHFFFAOYSA-N 351.450 2.824 0 1 FFAF C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@]32CO 6031426 XLVPVNMSPILFPC-UBKYOJNUSA-N 358.390 2.534 0 1 FFAF COc1ccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c(OC)c1 6815633 BZBQTTRDFYWLMJ-UHFFFAOYSA-N 368.389 2.742 0 3 FFAF COCC(=O)N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1 27746484 YTALCDLEGRVNKP-UHFFFAOYSA-N 359.514 2.569 0 1 FFAF Cc1nn(C)c(NC(=O)[C@H](C)N2CCCC2)c1C(=O)c1ccccc1F 29342323 WOBOCNUFGSNYDE-ZDUSSCGKSA-N 358.417 2.521 0 1 FFAF COc1ccc(COC[C@@H](Cn2ccnc2)OCCC/C=C/C(=O)O)cc1 29483392 ZQONXMQXCXPTML-MEDHRJKHSA-N 374.437 2.915 0 1 FFAF C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C3CCCCC3)CCN21 2356443701 VWNYOBZHWDCYFB-FCHUYYIVSA-N 357.542 2.572 0 1 FFAF CC=C(C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C 2356498152 KKDRQZCQNSHBHY-MRXNPFEDSA-N 374.389 2.582 0 1 FFAF COc1cc(-n2cnc3ccsc3c2=O)ccc1OCCN1CCCC1 40810680 FEVXPFVKPUAAIQ-UHFFFAOYSA-N 371.462 2.930 0 1 FFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccco1 43527560 TZVKSWXJWOOGRX-GUDVDZBRSA-N 365.477 2.783 0 1 FFAF biogenic COc1ccc(CN2CCC3(CC(Nc4ccncn4)C3)C2)c(OC)c1 299850833 RTWFYMGFEYBKGB-UHFFFAOYSA-N 354.454 2.960 0 1 FFAF C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473087993 NCMBUSUTMQZIAP-JTQLQIEISA-N 351.305 2.834 0 1 FFAF CN(Cc1ccco1)c1cc(-c2nccs2)nc(NCCC(=O)O)n1 653751717 NFCGWDASKAGXBI-UHFFFAOYSA-N 359.411 2.716 0 1 FFAF CCOC(=O)c1nnn(-c2c(C)[nH]c3cc(F)ccc23)c1C(=O)OCC 587635434 HXMHCHRSMHVPGW-UHFFFAOYSA-N 360.345 2.550 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3c(F)cccc31)O2 587385219 ARIUBSOKZRHNNB-GOSISDBHSA-N 361.394 2.754 0 1 FFAF Cn1ncnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344108 VWZDABHBWJJQIN-VQIMIIECSA-N 353.353 2.934 0 1 FFAF O=S(=O)(Cc1nc2cnccc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950650 IXVKBLDRUPHSBF-UHFFFAOYSA-N 371.466 2.890 0 1 FFAF CCC(=O)Nc1ccccc1[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587385534 CYSFQVQUKDIIAV-FQEVSTJZSA-N 368.389 2.871 0 1 FFAF COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)CCOC4)[nH]c3c2)cc1 587248561 UEBUNWADQULYLV-IBGZPJMESA-N 353.378 2.716 0 1 FFAF CC1(C)[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)[C@@]1(C)C[C@H]2OC(=O)CO 1772613464 VCKZIYZXFFQHIP-YWAAZFOTSA-N 358.434 2.972 0 1 FFAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N)cn3)nc2n1C1CCCC1 1772630350 TYNITKPOXXXYIY-UHFFFAOYSA-N 365.441 2.969 0 1 FFAF CC1(C)O[C@H]1Cc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O 14762921 LSWDODWEFUHTNQ-WBMJQRKESA-N 372.373 2.588 0 1 FFAF biogenic CC(=O)N1CCC(NC(=O)N[C@@H]2C3C[C@H]4C5CC6C[C@@H]4C2[C@H](C6)[C@H]5C3)CC1 1857586517 WIKPLERXRBKKHT-UDSASZOOSA-N 371.525 2.613 0 1 FFAF CC1=C[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CCC(C)=CCC[C@](C)(O)[C@@H](O)CC1 255208870 FCPVMRGLYDLISU-GXUNQHPWSA-N 352.471 2.590 0 1 FFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)CC[C@@]1(C)O 2356289231 RRIHQSNLTJIVGZ-SFHLNBCPSA-N 370.424 2.669 0 1 FFAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2 100390361 IBOZZWGMZPMXBO-AAVRWANBSA-N 371.218 2.688 0 1 FFAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(C)c(C)cc3nc2-1 26656247 NNFRIADVLHUVES-QFIPXVFZSA-N 360.413 2.765 0 1 FFAF O=C(Nc1cc(Cl)ccc1N1CCC(O)CC1)c1cnn2cccnc12 113655687 ZKTVNTWYZUEZQP-UHFFFAOYSA-N 371.828 2.596 0 1 FFAF CC[C@@H]1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@@H]1C3=Nc2ccccc21 2356623123 BMRYZKSXVDMCAO-QFAJNWLDSA-N 354.450 2.511 0 1 FFAF C[C@H](C[C@@H](C)[C@@H](O)[C@H](C)C=CC(=O)O)[C@@H](O)CC(=O)c1ccc(N)cc1 2356637165 JELLOIMREUHSKD-PPXKYTHZSA-N 363.454 2.503 0 1 FFAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1 2356790493 FQQOZLHPNGWWQX-CQDKDKBSSA-N 359.426 2.551 0 1 FFAF COc1ccc2occ([C@H](CC(=O)O)[C@H]3N(C)C(C)=C(C)N3O)c(=O)c2c1 2356817314 DJRQHIBPDZMJRN-DJJJIMSYSA-N 374.393 2.574 0 1 FFAF CCSC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1 26381773 XXLSGOZSZYOOLC-IFUGULHKSA-N 365.476 2.564 0 1 FFAF COc1cc(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)cc(OC)c1 71332209 VMIQAQMSMUMUKP-VOTSOKGWSA-N 363.435 2.880 0 1 FFAF CC(=O)NC[C@@H]1CCC2(CCN(c3nccc(C4CCCC4)n3)CC2)O1 71764723 KOZBZARUZDJFHX-KRWDZBQOSA-N 358.486 2.788 0 1 FFAF CC(C)CN1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 15672176 PVMZXVJPXTXTJH-WOJBJXKFSA-N 360.498 2.687 0 1 FFAF biogenic CC(=O)Nc1cc(N2CCc3ccccc3C2)nc(-n2nc(C)cc2C)n1 40380566 BJIHXFIZELWLCM-UHFFFAOYSA-N 362.437 2.800 0 1 FFAF O=S(=O)(O)c1ccc(Cc2cnc(Cc3ccc(O)cc3)cn2)cc1 238788576 OLPVGVMEZANELF-UHFFFAOYSA-N 356.403 2.611 0 1 FFAF CN(CCc1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12)N=O 587650678 QSUPXUUBIWWCLA-UHFFFAOYSA-N 358.423 2.789 0 1 FFAF FC(Br)(Br)c1nc2c(S)nc(S)nc2[nH]1 587087979 ZYSOCCPVXIRWJD-UHFFFAOYSA-N 374.058 2.800 0 1 FFAF N=c1[nH]c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)nc-2c(Cl)[nH]1 587119949 ZPVOYSQSFIEGLR-UHFFFAOYSA-N 357.727 2.511 0 1 FFAF CCCOc1cc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br 587236134 SVPYFZFMYRBUDA-DTWKUNHWSA-N 352.232 2.964 0 1 FFAF OCc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587111222 CMJUDKCSRBADSG-UHFFFAOYSA-N 374.326 2.776 0 1 FFAF N=C(N)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161879 SGWXXGOEERYSHA-UHFFFAOYSA-N 369.791 2.946 0 1 FFAF Cc1ccnc2c1CCN[C@]21CSC2(CN(C(=O)OC(C)(C)C)C2)C1 963078503 XWMILASTYGHHHG-LJQANCHMSA-N 361.511 2.857 0 1 FFAF O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 13151336 DUFGBXZQCBTAOV-IDCJVQTKSA-N 368.433 2.774 0 1 FFAF COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccn2)n(C)c1=O 13473209 CRGWLDXEAXCBBI-UHFFFAOYSA-N 350.374 2.910 0 1 FFAF CCCCCOc1cccnc1NC(=O)c1cnc2ccccn2c1=O 169313141 IGCHRSMZFGQXNX-UHFFFAOYSA-N 352.394 2.911 0 1 FFAF Cc1nc(-n2ncc(C(=O)N3c4ccccc4C[C@H]3C)c2C)nc(O)c1C 1857598322 CWIAUQJHHZYIQI-LLVKDONJSA-N 363.421 2.885 0 1 FFAF CCCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12 2942724 QUGLTFPRNHDPOE-UHFFFAOYSA-N 351.406 2.924 0 3 FFAF Cc1nc(NC[C@H]2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1 4388650 QPOOAQMYHZFERF-CYBMUJFWSA-N 358.833 2.822 0 3 FFAF C[C@@H](CCc1ccccc1)NC[C@H](O)c1cc(C(N)=O)c2[nH]ccc2c1 6020676 DEXHZSZLIVQAPC-LIRRHRJNSA-N 351.450 2.911 0 1 FFAF Cc1ccc2c(c1)cc1c(=O)n(CC(=O)N3CCCCCC3)nc(C)n12 6749660 CONGOTKWMRBINY-UHFFFAOYSA-N 352.438 2.669 0 1 FFAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)[C@H]1C(=O)c1ccco1 100276041 QVKBSDQFAPAQBF-DLBZAZTESA-N 365.341 2.730 0 1 FFAF CC(=O)c1ccc(OC[C@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29481867 OZHKKQOIWZSAFZ-OAQYLSRUSA-N 368.477 2.841 0 1 FFAF CC/C=C/C[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O 33954017 OYPPJMLKAYYWHH-KQXXBUPUSA-N 368.470 2.545 0 1 FFAF in-man O=c1[nH]c2nonc2nc1Nc1ccc(OCCCC(F)(F)F)c(F)c1 1911583697 KEDQDSIVHKBJPE-UHFFFAOYSA-N 373.266 2.910 0 1 FFAF COc1ccc([C@]2(C3CCCCC3)N=C(N)N(C3CCOCC3)C2=O)cc1 218701318 PUTUTRXGZDKHGL-NRFANRHFSA-N 371.481 2.807 0 1 FFAF COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC)cc1OC 14437078 MBOJUFZHGKKHLS-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic CC[C@H](C)C(=O)OC[C@](O)(COC(=O)C(C)C)c1ccc(C)cc1O 14588678 IHCGYZLHGZMPTF-IFXJQAMLSA-N 352.427 2.677 0 1 FFAF biogenic C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)C1=CC[C@@H](O)[C@@H]32 85669666 ITUZNSCWKHPONF-PNSJOKRPSA-N 358.390 2.534 0 1 FFAF biogenic COc1cc(NCc2ccncc2)c(C(=O)Nc2cnccn2)cc1OC 40766665 PBGJWZJYRNHCHD-UHFFFAOYSA-N 365.393 2.753 0 1 FFAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@H]1COc2ncsc21 220866160 LPXUIBGYWUGOJI-JTQLQIEISA-N 359.234 2.735 0 1 FFAF CCN1C(=O)N(C)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95566101 XNYLTQNQSISMDG-NSHDSACASA-N 363.767 2.731 0 1 FFAF COc1cc(C[C@H]2COC(=O)/C2=C/c2ccc3c(c2)OCO3)ccc1O 238771120 GXUFGVFUODGOIH-UUINEXAVSA-N 354.358 2.929 0 1 FFAF COC(=O)c1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cn1 586950297 FFRUWWNBZXHVSX-UHFFFAOYSA-N 374.422 2.562 0 1 FFAF COc1cc2c3c(c1)O[C@@](C)(c1c(N)ccc(OC)c1OC)[C@@H](C2)C3=O 587432383 LFLSYMRHAJUKKX-FKIZINRSSA-N 355.390 2.957 0 1 FFAF NC(=O)N1CCc2sccc2[C@]1(CC(=O)CCC(=O)O)c1ccccc1 962712071 NOVQXJSEAJINGM-IBGZPJMESA-N 372.446 2.753 0 1 FFAF Cc1cccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c1 219562671 XAMCCSYNPOEISO-IRXDYDNUSA-N 364.453 2.786 0 1 FFAF CC/C=C/C[C@@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496559 OYPPJMLKAYYWHH-WMWYBTOLSA-N 368.470 2.545 0 1 FFAF endogenous,in-man CC1(C)C(C(=O)N2CCc3c([nH]c4cccc5c(=O)[nH]nc3c45)C2)C1(C)C 150097460 QKFJKUSURHTDNT-UHFFFAOYSA-N 364.449 2.971 0 1 FFAF Nc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)o1 1857753597 WZJBFIJGYPICQR-UHFFFAOYSA-N 366.406 2.926 0 1 FFAF COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccn2)c2ccccc12 1857772137 UMXFZLMRUUBYBR-UHFFFAOYSA-N 358.375 2.742 0 1 FFAF O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 3956201 UFWPFYMWLIRXMQ-GOSISDBHSA-N 371.466 2.698 0 1 FFAF CCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 4533541 VJNLGMWQPLGEQF-ROUUACIJSA-N 370.449 2.996 0 1 FFAF C[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O 4972143 UAHFHTIOAHTTLT-MRXNPFEDSA-N 361.445 2.882 0 1 FFAF CNC[C@@]1(C)CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27525945 BKDXLSJIQAABDJ-HXUWFJFHSA-N 373.428 2.610 0 1 FFAF C[C@]1(O)CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356515014 VZYXNEBEPOYJPB-VWPQPMDRSA-N 365.477 2.674 0 1 FFAF COc1cc(C[C@@H]2COC[C@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14642017 LDYVVKWGJMWITK-SXGZJXTBSA-N 360.406 2.654 0 1 FFAF biogenic COc1c(O)cc(-c2cc(=O)c3c(OC)cc(O)c(OC)c3o2)cc1O 14437201 XMRJJEOBZBQPSR-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic CC(C)CCC[C@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 85593589 GCJJPODJRMDCOL-XLIONFOSSA-N 362.422 2.872 0 1 FFAF biogenic,in-vitro C[C@@]1(O)C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 95918718 ADWWSTLDHHDKTM-DYGTYFQGSA-N 357.494 2.590 0 1 FFAF biogenic,in-vitro CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CCN4C(=O)NC(C)(C)C4=O)cc32)C1 257971626 VUTRHRVGOKNTJD-SHTZXODSSA-N 368.481 2.848 0 1 FFAF CCN1C[C@@H]2CC[C@H](OC)[C@]34[C@@H]2C[C@H]([C@H]2C[C@H](OC)[C@H]5C[C@@H]3[C@@H]2C5=O)[C@@H]14 255204659 CWTDIQWAPGCRFL-SMTBQDLLSA-N 359.510 2.608 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(F)(F)F)N1 587708530 YRKHAZIGPJTQKA-GCXOYZPQSA-N 356.113 2.965 0 1 FFAF CS(=O)(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609433 VTGIEOWIFSASSY-QFBILLFUSA-N 374.414 2.547 0 1 FFAF CCOC(=O)Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587516634 DLWHAHVUQJBYAF-HXUWFJFHSA-N 369.421 2.601 0 1 FFAF Cc1nn(CCO)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579567 DRQZMZPWUOJUTH-XLIONFOSSA-N 366.373 2.592 0 1 FFAF COC(=O)[C@](C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352916 PPBHJDHJZWTKHR-FFZOFVMBSA-N 374.364 2.573 0 1 FFAF COCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587790315 FVUFZWBGUHNDKW-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CN1C 587582467 LKIDIESMZYJPOP-YLJYHZDGSA-N 351.358 2.511 0 1 FFAF NS(=O)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1 215565331 KPOFRWYZAASAIZ-VQTJNVASSA-N 372.490 2.865 0 1 FFAF Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C 13802984 VYJSEMNZGPEKAE-UHFFFAOYSA-N 351.450 2.957 0 1 FFAF O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12 13860743 QUBABKJOUGUHAK-UHFFFAOYSA-N 369.377 2.821 0 1 FFAF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)C2=C2OC(=O)C(C(=O)OC)=C21 1857762417 UIWDXZFIJLEIFD-LLVKDONJSA-N 364.401 2.761 0 1 FFAF CN[C@H]1C[C@H]2c3cc(-c4ccccc4)ccc3CCN2C(=O)[C@H]1[C@H](C)O 61923983 DAGISASTOSKSAN-CXTHYWKRSA-N 350.462 2.768 0 3 FFAF CCCC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)c1nc2ccccc2o1 64539661 WNHLSUXSXXFTRC-HZPDHXFCSA-N 371.437 2.696 0 1 FFAF CCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](C)[C@@H](O)[C@H]1O 38142747 PWFPFJATJGPVDV-MBQMLJSQSA-N 360.241 2.804 0 1 FFAF O=C(O)c1cn(Cc2ccc3c(c2)CC[C@H]3O)c2cccc(F)c2c1=O 71341533 AUISFPQBEJOBIF-QGZVFWFLSA-N 353.349 2.867 0 1 FFAF CC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 587186822 VVTBGIFLUULCLX-UHFFFAOYSA-N 364.146 2.827 0 1 FFAF C[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343361 KGPGICRCVYRGFW-FPOVZHCZSA-N 371.408 2.981 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccc(N3CCOCC3)cc1)O2 587399999 NAPROJADRAPKAW-LJQANCHMSA-N 366.417 2.631 0 1 FFAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(O)nc(S)nc2[nH]1 587109903 WNRQBIOCVXKBED-UHFFFAOYSA-N 356.285 2.731 0 1 FFAF COc1cc2c3c(c1)O[C@@H](c1cnc(NC[C@@H]4CCCO4)nc1)[C@@H](C2)C3=O 587432324 KOAPAIWXWVTBGK-RFUYNDQBSA-N 367.405 2.565 0 1 FFAF COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581227 LAPAPRVFBUFMTP-PXNSSMCTSA-N 366.373 2.938 0 1 FFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccnc1)c1ncc[nH]1 963614171 WQGLRPNOQOFJFR-RBZFPXEDSA-N 350.422 2.648 0 1 FFAF COc1cc(CN2CC[C@]3(CCCN(C)C3=O)C2)cc(Cl)c1OC 12204140 HLQYKWWOQUTYBR-GOSISDBHSA-N 352.862 2.802 0 1 FFAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1CO 206134443 WIEJYJKDNYOPRH-UHFFFAOYSA-N 365.437 2.614 0 1 FFAF NC[C@@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205247206 OAFGYLXZSSMPQW-AWEZNQCLSA-N 371.448 2.867 0 1 FFAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)c1ccccc1 26973896 XIZHNLIZWUXBNK-LJQANCHMSA-N 361.401 2.583 0 1 FFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCC1CC1 2356287116 CLKDDOJGSFAXNU-NLWGTHIKSA-N 360.429 2.931 0 1 FFAF Cn1c(SCC(=O)N2CCCCC2)nc2c3ccccc3nc-2c1O 100616853 SNSUKFWFXYULLK-UHFFFAOYSA-N 356.451 2.883 0 1 FFAF N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Nc1ccccc1)C(=O)O 58534536 PWMZFDAURAUTAR-SJORKVTESA-N 362.366 2.740 0 1 FFAF O=c1c2ccc(Cl)cc2nc(O)n1S(=O)(=O)c1ccc(Cl)cc1 28894187 ZENSSHAETXPASI-UHFFFAOYSA-N 371.201 2.646 0 1 FFAF COc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1cncnc1C 114037240 IZPKUSZUVXMCKF-UHFFFAOYSA-N 361.345 2.765 0 1 FFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2c1NON2 66075736 XEAVDDGTTWTWSB-INIZCTEOSA-N 373.409 2.730 0 1 FFAF CCCc1c(OC)c(=O)c([C@H]2OC(=O)c3cc(OC)cc(OC)c32)cn1C 2356730451 IJABLVFJXHOHPJ-GOSISDBHSA-N 373.405 2.623 0 1 FFAF CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356765045 JWJKVCPVNRZJKQ-LSDHHAIUSA-N 372.469 2.876 0 1 FFAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCCCC[C@@H](O)[C@H](CO)C(=O)O 2356831297 JNZQQYUOGYYQLO-XOKHGSTOSA-N 356.459 2.994 0 1 FFAF CC(C)CN1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 2356849361 PVMZXVJPXTXTJH-VQTJNVASSA-N 360.498 2.687 0 1 FFAF CCC=C(C)C=CCC(C)=C[C@H](OC(C)=O)C(=O)N1CC[C@@H](O)[C@H]1OC 2356857005 SFNSKDBKWXOASY-WSTZPKSXSA-N 365.470 2.733 0 1 FFAF COc1ccc([C@@H](c2c(O)oc(C)cc2=O)c2c(O)cc(C)oc2=O)cc1 2356866992 VQEHVVPVXUJOOJ-MRXNPFEDSA-N 370.357 2.810 0 1 FFAF CNC(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1 66251532 WDLBWWINQSYDNG-AESZEHBQSA-N 373.501 2.598 0 1 FFAF COc1cccc2c1[C@@H](c1ccc3c(c1O)C(=O)C[C@H](C)[C@H]3O)OC2=O 36374949 MOOPAAHERXFVGI-VWTWREEESA-N 354.358 2.917 0 1 FFAF Cc1cc(=O)c2c3c(c4c(c2o1)[C@H](O)[C@H](O)C(C)(C)O4)C=CC(C)(C)O3 13404292 FJUWPFOBWFPQGG-KSSFIOAISA-N 358.390 2.851 0 1 FFAF biogenic Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O 82150110 HTFPNFFVMNUPNX-UHFFFAOYSA-N 354.454 2.628 0 1 FFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 89469230 NDOCIMFSMXVIQA-QGZVFWFLSA-N 365.437 2.675 0 1 FFAF CC1=C(c2ccccc2)C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O 40866541 VOKJFQSOPRHDDM-UHFFFAOYSA-N 372.299 2.746 0 1 FFAF CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 82224512 VLBUNAYLQRAIDF-GFCCVEGCSA-N 354.410 2.936 0 1 FFAF COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O)ccc1OCc1ccccc1 96927461 VDSXVQGCVJHTKK-SFHVURJKSA-N 368.389 2.987 0 1 FFAF COC(=O)[C@@H]1CC[C@@]2(C)[C@H]([C@@H]3C=C[C@@]2(O)C(=O)O3)[C@@]1(C)/C=C/c1ccoc1 238772007 WGJYPUWQDZUODK-LEEDKTBMSA-N 372.417 2.731 0 1 FFAF COC(=O)C1=CNC=C([C@@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 86020431 LRVNKWMVNDXIIY-DOMZBBRYSA-N 363.417 2.800 0 1 FFAF biogenic O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]31 587108322 ZPLQIQDQWAXUFZ-DJYLGPGLSA-N 356.381 2.759 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn(C)c2=O)N1 587775545 SZXBMXCWKQPMOP-PSLIRLAXSA-N 351.219 2.911 0 1 FFAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)NCCc2ccc(O)cc21 963344092 YJJJCJUKGCBUNZ-FQEVSTJZSA-N 373.836 2.957 0 1 FFAF Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C 221819192 SEMYSGKNTPMQMN-UHFFFAOYSA-N 357.414 2.606 0 1 FFAF Cc1ncc([N+](=O)[O-])n1CCN1C(=O)S/C(=C\c2ccccc2)C1=O 34082301 IMANMSZSFSLTNW-LCYFTJDESA-N 358.379 2.836 0 1 FFAF Cc1csc(CNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 12074427 IYGLQMLDALBKDX-KRWDZBQOSA-N 371.506 2.939 0 3 FFAF O=c1c2c([nH]c3ccccc13)[C@H](c1cc(CO)co1)N(c1ncccn1)C2 1857643640 KNZDLUCLAWNBEQ-SFHVURJKSA-N 360.373 2.513 0 1 FFAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CN 1892611 FWCRWOGLPQTJMO-WAYWQWQTSA-N 372.421 2.789 0 1 FFAF c1ccc(CN2CC[C@H](NCCN3CCN(c4ccccc4)CC3)C2)cc1 1255099492 HKHVEZFMKVJVKP-QFIPXVFZSA-N 364.537 2.673 0 1 FFAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)c1 2356300363 UPJUDMPMNHWUDB-MAUKXSAKSA-N 356.401 2.706 0 1 FFAF CN(C)C(=O)c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1 4267076 IDQZAPBYHVKWKL-UHFFFAOYSA-N 362.433 2.835 0 1 FFAF Cc1ccccc1[C@@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2)n1 101564278 GEZIYVGLJVGBTP-MRXNPFEDSA-N 365.389 2.832 0 1 FFAF COc1ccc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 114573482 OVJTVDMKFSMIMQ-ZDUSSCGKSA-N 356.451 2.557 0 1 FFAF CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 27083727 LZFGLWWNBKSJRY-CYGZGYCASA-O 360.522 2.999 0 1 FFAF CC[C@H](C)C(=O)NC(=O)c1coc([C@H](OC(C)=O)c2ccccc2)cc1=O 2356787070 TYALAHHUSALVLR-KPZWWZAWSA-N 371.389 2.595 0 1 FFAF CCOc1cc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)ccc1OC 40406090 IRYSEMPQXFLMBJ-OAHLLOKOSA-N 369.373 2.906 0 1 FFAF COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)C[C@H]2O 31459897 DPVUITDUDZIAQO-QWHCGFSZSA-N 357.406 2.661 0 1 FFAF biogenic Cc1nc2cnc(Nc3ccnc(N4CCC(O)CC4)n3)cc2n1C(C)C 653755588 CETLUXCQLCEHTG-UHFFFAOYSA-N 367.457 2.815 0 1 FFAF CCS(=O)(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154477 PXFQBEFSTRTKNO-ACJLOTCBSA-N 359.426 2.837 0 1 FFAF CCOc1n[nH]c(-c2nc3ccc(CCO)cc3[nH]2)c1Br 586979318 AXIWOWQTUPODMZ-UHFFFAOYSA-N 351.204 2.649 0 1 FFAF COC(=O)c1ccnc2[nH]c(-c3ncc(Br)cc3F)nc12 587158323 WIAGNWGSHOSRTI-UHFFFAOYSA-N 351.135 2.708 0 1 FFAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc[nH]c(=N)c41)[C@@H](C2)C3=O 587434688 YMQSLEZDOMMQQA-FKIZINRSSA-N 351.406 2.513 0 1 FFAF COc1c(C=O)cc(C)cc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963028251 LVUUXHMPSWHGGH-RNODOKPDSA-N 350.418 2.959 0 1 FFAF CCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O 142883961 XBUYXFOWZZAWON-UHFFFAOYSA-N 369.421 2.561 0 1 FFAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(c2cncnc2)C1 1772580084 VZTGHOXKKCCFNO-GFCCVEGCSA-N 365.441 2.597 0 1 FFAF COCCc1ncc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)cn1 11702276 GAHLMNLBWKXEFS-OAQYLSRUSA-N 358.530 2.754 0 1 FFAF COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1 13740985 TVCKSRUQZAILGQ-UHFFFAOYSA-N 359.495 2.617 0 1 FFAF NCc1nc(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)cs1 1857582291 JABPBFJPMQEUAC-UHFFFAOYSA-N 374.443 2.800 0 1 FFAF O=C1COc2ccc(Cc3cc(O)n4nc(C5CCC5)cc4n3)cc2N1 103524993 WZFYEMOQYYBMKD-UHFFFAOYSA-N 350.378 2.624 0 1 FFAF Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C 28826111 CDTUMOAUIVWZCB-OALUTQOASA-N 364.449 2.723 0 1 FFAF Cc1cnc2c(NCCN)nc3cc(-c4ccccc4CO)sc3n12 28950724 XGFBARHKTYXMCA-UHFFFAOYSA-N 353.451 2.782 0 1 FFAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@H]2[C@@H]1O 2356497849 AXROAUMWRUGWDE-SCRQKLCCSA-N 366.546 2.819 0 1 FFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@H]1C 2356566701 QDAPAVNNGPQYEF-TXRZWFJJSA-N 373.497 2.891 0 1 FFAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1O 27754520 ASQGYQGTQANYLC-UHFFFAOYSA-N 372.373 2.894 0 1 FFAF CN(C(=O)Cc1ccc(CN)cc1)[C@H](CN1CCCC1)c1ccccc1 28472219 IUANQSFTMZCPED-OAQYLSRUSA-N 351.494 2.983 0 1 FFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@@]1[C@@]3(O)[C@@H]2CNC1CCCC1 2356778810 DULRAFVTZYWWOW-MHTADTOLSA-N 352.478 2.692 0 1 FFAF COc1ccc2nc(C)cc(-n3cc(CNC(=O)C4CCC4)nn3)c2c1 71280707 UKYXAJHHFKAIJP-UHFFFAOYSA-N 351.410 2.549 0 1 FFAF COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3C(=O)c2ccccc2)cc1 40394729 SALSUQFUZCTTOY-QUCCMNQESA-N 364.445 2.753 0 1 FFAF C[C@H]1CCCN1c1ccc2c(c1)O[C@H](C)CCN(C1CC1)S2(=O)=O 96019156 JUARTUCENLEXHH-UONOGXRCSA-N 350.484 2.999 0 3 FFAF CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 261497625 OYPPJMLKAYYWHH-NRVIWUMXSA-N 368.470 2.545 0 1 FFAF endogenous,in-man COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803462 AWBDRAPGNWZTMH-FWTOCNMZSA-N 372.234 2.716 0 1 FFAF O=C(O)COCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587563302 QODHZXKMCGBCDJ-UHFFFAOYSA-N 369.093 2.825 0 1 FFAF O=C(O)[C@H]1C(c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]1C(=O)O 587969817 AHFLQOHZNRCLNR-GJZGRUSLSA-N 352.346 2.641 0 1 FFAF CCOC(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 587230119 FKPJOTJFDWTZKO-LSDHHAIUSA-N 373.453 2.776 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]31)CC2=O 587482835 JRUOTIYWJRAOKE-QZBDDJNGSA-N 359.422 2.521 0 1 FFAF CC(C)C(=O)[C@@H]1C(=O)c2ccccc2[C@@]12NCCc1c(C(=O)O)cccc12 963136173 YZNPWIMOYVZRBW-XMSQKQJNSA-N 363.413 2.812 0 1 FFAF CCNC(=O)N(CCOC)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12507509 HMMSTUTWZZJMJY-QGZVFWFLSA-N 359.514 2.544 0 3 FFAF CC[C@H](Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759701 CTAZJMUKYKCOMY-LBPRGKRZSA-N 359.480 2.893 0 1 FFAF CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccc(OC)c(OC)c1 169303479 DWMAYQMTCVBGKX-LJQANCHMSA-N 373.457 2.528 0 3 FFAF CC(C)n1nc(-c2cccc(C(=O)NC3=NCCC3)c2)c2c(N)ncnc21 209732411 RWRBSEISHUTNQL-UHFFFAOYSA-N 363.425 2.579 0 1 FFAF N#CN1CC[C@@H](NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)C1 1857562327 VBQNSOUPOJHGMR-GFCCVEGCSA-N 350.300 2.646 0 1 FFAF CCN(CC)C[C@H](O)COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 2272587 DLYMFOLYIKQMOC-PZJWPPBQSA-N 363.498 2.700 0 3 FFAF CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356387258 NBVWSQGSERBFMY-UONOGXRCSA-N 372.469 2.876 0 1 FFAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4048986 LTPRHQFXAUPTQK-QSFXBCCZSA-N 351.450 2.845 0 1 FFAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206327 SHXDZTNHAUJFPI-ZOBUZTSGSA-N 362.813 2.912 0 1 FFAF COC(=O)c1cncn1[C@H](C)c1ccc(I)cc1 29054711 KECBLXVYTIVCTG-SECBINFHSA-N 356.163 2.884 0 1 FFAF investigational COc1c(O)c2c(c3c1[C@H](O)COC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 14816261 VLSCNAWMSGINHJ-IDFMNXDXSA-N 374.433 2.814 0 1 FFAF biogenic CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4nonc4c3)c2)cc1 84707664 OWGDTOVENOXMQG-UHFFFAOYSA-N 366.402 2.938 0 1 FFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@H]43 85996964 IKGCNOXJYOBUNZ-XYEHWOGUSA-N 370.493 2.786 0 1 FFAF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)nc(S)n1 587613047 MNRFYWRQCLZCLR-PBHICJAKSA-N 368.370 2.879 0 1 FFAF CCOCCOCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587778291 JQEXJUPXDKGWDF-UHFFFAOYSA-N 357.204 2.665 0 1 FFAF CS(=O)(=O)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586924822 ATTAKALPAMXSAN-UHFFFAOYSA-N 356.382 2.958 0 1 FFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CO)on2)N1 587793176 KDCUWUBYNATDFY-ANRSDYALSA-N 355.207 2.866 0 1 FFAF Cc1cc(F)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 586955617 QCDNSESNYYSFNY-UHFFFAOYSA-N 374.441 2.577 0 1 FFAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(F)cnc(Cl)c2[nH]1 586949849 CSWDBBZUADLZRT-UHFFFAOYSA-N 354.794 2.713 0 1 FFAF CN(C)C(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587043220 IZUHQNTZKYFPOC-UHFFFAOYSA-N 352.419 2.976 0 1 FFAF COc1ccc(-c2cnc3sc(NCCc4ccccn4)nn23)cn1 117606617 LYKGZCFFNLGGNZ-UHFFFAOYSA-N 352.423 2.911 0 1 FFAF Cn1ncc2c(NC[C@H]3CCCO3)nc(Nc3ccc(F)c(F)c3)nc21 1772578101 YJVNZGOCFSAYAH-LLVKDONJSA-N 360.368 2.976 0 1 FFAF CC(=O)N1CCC[C@@H]1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772649640 LCOZHFLISQGCLX-GOSISDBHSA-N 365.437 2.658 0 1 FFAF COCC[C@@H]1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1 12307681 JUHGLYPSDFAUKP-HNNXBMFYSA-N 359.426 2.988 0 3 FFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](O)C[C@H]1CN1CCCC1 13449249 WSBAWNBRLVNTEK-GJZGRUSLSA-N 371.308 2.984 0 1 FFAF COc1cccc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)c1 169326476 UKFMRRGYBVMPRS-UHFFFAOYSA-N 351.366 2.908 0 1 FFAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccco2)cc1OC 169729708 XKEVFYBJHFXTIW-DLBZAZTESA-N 372.377 2.882 0 1 FFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1)c1ccccc1 168140350 YHVCLADWMFBQMX-UHFFFAOYSA-N 360.417 2.887 0 1 FFAF CCN(C)C(=O)Oc1cc([C@H](C)N2CCN(C)CC2)cc2cccnc12 1857548075 UOQFVMNZVYSSHQ-HNNXBMFYSA-N 356.470 2.994 0 1 FFAF COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 1857552136 GWNABLDNNOYTMC-FGZHOGPDSA-N 368.477 2.974 0 1 FFAF O=C(c1cccnc1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857591154 UHTCFJKEPZIKTE-IBGZPJMESA-N 362.433 2.893 0 1 FFAF Cc1cnc2c(c1)C(=O)N(c1ccc(Br)cc1)S2(=O)=O 1654024 OGKUJFVMWFFLCD-UHFFFAOYSA-N 353.197 2.502 0 1 FFAF CC1=C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 100899214 BDYVYNKEWLPLCY-SNEFRUTKSA-N 355.478 2.510 0 1 FFAF in-vitro CNC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2Cl)C2=C(COC2=O)C1 28127088 KOXAFXLUAWCQLZ-ZDUSSCGKSA-N 368.216 2.981 0 1 FFAF COc1cc(O)c(OC)c(OC)c1-c1coc2cc(O)cc(O)c2c1=O 14437395 SPVPCROZEFMFBN-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)c1O 14436575 YMRJXXIGZWXVNA-UHFFFAOYSA-N 374.345 2.906 0 1 FFAF biogenic NC(=O)N1CCCc2cc(-c3cncc([C@H](O)C(F)(F)F)c3)cnc21 221409271 STFOWNMXAVNANZ-ZDUSSCGKSA-N 352.316 2.571 0 1 FFAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 82181225 WTQDMVZBDMLBRL-UHFFFAOYSA-N 356.455 2.513 0 1 FFAF COc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)SCC4)cc1 49403636 UJBDIGIKORUAGK-UHFFFAOYSA-N 353.403 2.763 0 1 FFAF CCOC(=O)c1nn(CC)c(=O)c2nn(-c3ccccc3Cl)c(C)c12 49112588 PADQBOCDWXQDKL-UHFFFAOYSA-N 360.801 2.741 0 1 FFAF Cc1cccc(-n2nnc(CCCCO)c2-c2ccc3nccnc3c2)n1 95584918 ZRNCKGONRSWEPN-UHFFFAOYSA-N 360.421 2.896 0 1 FFAF COc1cc2c(c(OC)c1)-c1c3c(c(OC)c4c1[C@H](C2)NCC4)OCO3 28641553 AQOBGOYAGNVUIN-ZDUSSCGKSA-N 355.390 2.851 0 1 FFAF biogenic CC[C@]12CCCN3C(=O)C[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 85982290 YGSZHGCBNWBWPD-ACRUOGEOSA-N 352.434 2.972 0 1 FFAF biogenic CN1CCN(c2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)CC1 586899522 PORQSAHJGLFVSG-UHFFFAOYSA-N 354.498 2.899 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 586950783 MBGWJBCIZGMBQN-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCNC4=O)c1)[C@@H](C2)C3=O 587440808 BVRINQMSLKOPLI-HRAATJIYSA-N 364.401 2.888 0 1 FFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]31)CC2=O 587482834 JRUOTIYWJRAOKE-GLRCHQFTSA-N 359.422 2.521 0 1 FFAF Cc1c(Br)cnc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc12 587249869 OPBHKSQARUBVAT-UHFFFAOYSA-N 361.199 2.900 0 1 FFAF CN1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(F)(F)F)N1 587502336 DRVWGPAPVMTZGQ-UNEWFSDZSA-N 354.372 2.896 0 1 FFAF C[C@@]1(c2cccnc2N)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962719063 RQIDIOQQANDPBO-CJNGLKHVSA-N 369.318 2.684 0 1 FFAF O=C(c1n[nH]c2c1CCNC2)N1CCC(c2cccc(F)c2Cl)CC1 1772573510 PJUXIWWOLCCJBG-UHFFFAOYSA-N 362.836 2.868 0 1 FFAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@H]1CCCN1 1772597372 GTDOWKUTGWWIFA-IHWMJMDHSA-N 368.412 2.954 0 1 FFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccncc1 168462085 LUWWMXWJDNQLSW-UHFFFAOYSA-N 360.417 2.887 0 1 FFAF CC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1 1857591517 VTTSGEFPLPXNHH-UHFFFAOYSA-N 353.257 2.745 0 1 FFAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(CO)n3)ccc12 1857606613 XXEFQJPWQPILSV-UHFFFAOYSA-N 369.373 2.503 0 1 FFAF O=C1O[C@H](c2cccc3c2OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 2356347940 SGWLAVZUOVBYOW-GQAVTEOGSA-N 368.341 2.746 0 1 FFAF CC(C)c1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O 2499502 HAOWMRDZBCRGTM-SCLBCKFNSA-N 352.438 3.000 0 1 FFAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc([C@@](O)(c3ccccc3)C(F)(F)F)nn1)C2 100597522 IWEPPUGDWPKTDZ-IVSAIRAKSA-N 366.387 2.874 0 1 FFAF CCOC(=O)c1c(C)cc2cnn(-c3ccc(C(=O)O)cc3)c(=O)c2c1C 28757909 KWHLYXNLBNECLF-UHFFFAOYSA-N 366.373 2.877 0 1 FFAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1 66251870 DQHFFFCZUKEEDS-GOSISDBHSA-N 360.410 2.927 0 1 FFAF CCOC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72186282 PLQHZDFOKKJAIW-QGZVFWFLSA-N 360.845 2.994 0 1 FFAF CCCCCCN1CCN([C@@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 72139567 FMJYOBZXQSQQOH-LJQANCHMSA-N 371.591 2.531 0 3 FFAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc(O)c1OC 14437199 XGIUYVCQIWQCCU-UHFFFAOYSA-N 360.318 2.603 0 1 FFAF biogenic COc1ccc(-n2c(C)nnc2N2CC(Oc3cccc(F)c3C)C2)cn1 49067249 JUFRUJUEPUECPC-UHFFFAOYSA-N 369.400 2.694 0 1 FFAF CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1 49113464 NEUBWALUOOQMFO-OAHLLOKOSA-N 353.831 2.647 0 1 FFAF Cc1ncc(C)n2nc(CCc3nc4c5cccnc5ccc4n3C)nc12 141305598 BHYRFKDBQRBVEU-UHFFFAOYSA-N 357.421 2.961 0 1 FFAF in-vitro COc1cc2c(cc1OC)C(=O)Cc1cc3c(cc1CN(C)CC2)OCO3 238765704 LKWIHAPCSFPLJZ-UHFFFAOYSA-N 369.417 2.846 0 1 FFAF C[C@@H]1CN(C)C(=O)c2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95662204 CXEKBWSCCPFRDF-MLGOLLRUSA-N 363.458 2.605 0 1 FFAF CN1CCCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95576694 RFPXHAIJTDKSBT-KRWDZBQOSA-N 366.469 2.560 0 1 FFAF CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O 95566400 XKNJTKNNKDTVRX-FDARSICLSA-N 371.481 2.925 0 3 FFAF COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C(=O)C2 85914126 OMOJYWBCXLIBOL-HLAWJBBLSA-N 374.433 2.861 0 1 FFAF biogenic CCN(CC)S(=O)(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 587954951 FPWMFPQKANTGBN-UHFFFAOYSA-N 367.471 2.637 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cnn4cccnc34)n2)cc1 587924291 QFHPVUKVBNKCPI-UHFFFAOYSA-N 371.447 2.891 0 1 FFAF Cc1cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1F 587202803 LNSOSWMVVXPTJP-MRXNPFEDSA-N 371.368 2.933 0 1 FFAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587436441 RAYOKHXQFDTACG-XCLFUZPHSA-N 353.374 2.930 0 1 FFAF CC(C)COc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586889808 LOUSQHDEYWOZMC-VIFPVBQESA-N 371.231 2.738 0 1 FFAF CC(C)NC(=O)c1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933201 SLMJREUMRQGYLQ-FQEVSTJZSA-N 365.477 2.762 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3=O)c2cn1)c1ccccc1 1772639574 NOTMGFROLQEGPV-GFCCVEGCSA-N 364.409 2.967 0 1 FFAF Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 150148584 HPLSCEVPHLQHEB-HXUWFJFHSA-N 367.493 2.841 0 1 FFAF COc1cc([C@@H]2CC(c3ccccn3)=NN2C(C)=O)cc(OC)c1OC 169328251 WNWOZKDQRYOVFG-INIZCTEOSA-N 355.394 2.805 0 1 FFAF COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl 1857609484 VPFBARSDFBCPKU-LLVKDONJSA-N 373.844 2.604 0 1 FFAF NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3cccnc3)cc2n1 1857609694 MKMFXQXRCJMEMC-UHFFFAOYSA-N 361.380 2.815 0 1 FFAF COc1cc2c(N[C@H](C)Cc3cc(C)[nH]n3)ncnc2c(OC)c1OC 1857638388 IGUMOIRRKNFJCZ-SNVBAGLBSA-N 357.414 2.730 0 1 FFAF CC(=O)c1c(OCCCCN2CCOCC2)ccc2c(C)cc(=O)oc12 1857752331 NYMWTSCHGRASHI-UHFFFAOYSA-N 359.422 2.795 0 1 FFAF CC(C)=C[C@@H]1c2[nH]c3cc(O)ccc3c2C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N21 2356462004 BLBXRRKAPHRFGY-KURKYZTESA-N 365.433 2.639 0 1 FFAF Cc1cc2c(=O)n(CC(=O)Nc3cnc4ccccc4c3)cnc2s1 2927686 RPENIOITRLGENO-UHFFFAOYSA-N 350.403 2.953 0 1 FFAF O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 6019734 UIPQDOWYNRWNGN-RCUQFMMVSA-N 368.341 2.746 0 1 FFAF O=C(O)C1=C(/C=C/c2ccc(O)cc2)NC(=S)N[C@H]1c1ccc(O)cc1 103187823 ACOSXDAQEQNHHE-QYSIDVQXSA-N 368.414 2.669 0 1 FFAF C[C@@H](CN(C)C)N(C)c1cnc(C(=O)NCC(C)(C)c2ccccc2)cn1 28882483 MNOBEKKSMSWRBO-INIZCTEOSA-N 369.513 2.571 0 1 FFAF COc1cc(C[C@@]2(O)c3ccccc3C3=NCCCN32)cc(OC)c1OC 26251740 LDLCQVOWBDOSGO-OAQYLSRUSA-N 368.433 2.566 0 1 FFAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(C#N)c2)c1 116578182 NZTLCNHMKJUVOB-UHFFFAOYSA-N 370.409 2.517 0 1 FFAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356835645 KTRFAYDIKHWOAQ-KBAYOESNSA-N 367.497 2.925 0 1 FFAF O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 73168680 VKOGQLTYKMJQJB-UHFFFAOYSA-N 366.512 2.869 0 1 FFAF COc1ccc2c(c1)[C@H](O)[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 13380778 FTFWEINCEBLJFT-SJORKVTESA-N 355.390 2.676 0 1 FFAF biogenic COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1C[C@H](O)C(C)(C)O 14696950 UNAHBFVKPGDHSP-KRWDZBQOSA-N 362.422 2.821 0 1 FFAF biogenic Cc1ccsc1-c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1 199000281 QPQGACWPKGGROH-KRWDZBQOSA-N 365.458 2.945 0 1 FFAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\CCCCCCCO)C(=O)O1 45357095 SWMBURPVXGGAJC-XATQLNLPSA-N 356.459 2.513 0 1 FFAF Cc1cccc2cc([C@H](C)Nc3cc(N)nc(N)n3)n(C3CC3)c(=O)c12 88345720 ISBNADRWBMFNJS-NSHDSACASA-N 350.426 2.772 0 1 FFAF c1cncc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)c1 82180710 NBPYCTICNDRMHV-HNNXBMFYSA-N 350.426 2.889 0 1 FFAF COCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1 618007106 ASGIWPIJGDJJAR-KRWDZBQOSA-N 371.481 2.933 0 1 FFAF CCOC(=O)C[C@]1(C(OCC)OCC)CC(=O)c2cc(C)cc(N)c2O1 587402236 WFWGPUOEJYWGAJ-IBGZPJMESA-N 365.426 2.634 0 1 FFAF COc1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2cc1Cl 587142339 VUTIHFLCLPHQCQ-UHFFFAOYSA-N 355.778 2.678 0 1 FFAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(N)cc1)[C@@H](C2)C3=O 587431458 GGUZUNRJHUMWQE-YWZLYKJASA-N 353.374 2.785 0 1 FFAF CCOC(=O)CCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C1 13475008 DBQZRVQSIMTCRY-CVEARBPZSA-N 353.846 2.872 0 1 FFAF N=C(N)c1ccc(COc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)cc1 13802318 NKRWILYYDJVOHQ-OAHLLOKOSA-N 352.390 2.769 0 1 FFAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 17105164 RGXKJLTVROJBKZ-OBUDHIQFSA-N 354.450 2.815 0 1 FFAF COc1cc([C@H]2Oc3ccc(C=CCO)cc3[C@H]2CO)cc(OC)c1OC 2356332454 FKFHXYWDVKLRMA-OXQOHEQNSA-N 372.417 2.928 0 1 FFAF NC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243523 GLNKGTPRCAPYNV-UHFFFAOYSA-N 359.765 2.890 0 1 FFAF COc1cc(/C=C2\CCCN3C(=O)CON=C23)ccc1-n1cnc(C)c1 68205888 OUGPFPUBTIPZKQ-OVCLIPMQSA-N 352.394 2.539 0 1 FFAF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 73295587 SMBYDPDNDOHTHQ-KRWDZBQOSA-N 362.382 2.557 0 1 FFAF O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085181 MLPYOBWVADBUMU-CQSZACIVSA-N 371.418 2.917 0 1 FFAF CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1OC 617957257 BJHMBAYFJHTNQZ-MRPLLJTBSA-N 352.412 2.519 0 1 FFAF O=C(Nc1cccc(CO)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653740712 PEDNSWRLVHWPEG-OAHLLOKOSA-N 352.394 2.899 0 1 FFAF CC1=C(c2ccc3nc([C@@H](C)Sc4ncccn4)[nH]c3c2)NNC(=O)C1 586963727 OADCUQUOMZHWEA-LLVKDONJSA-N 366.450 2.962 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)O)cc3c1OCOC3)O2 587408034 KQJLGMUGBTVDCH-INIZCTEOSA-N 355.346 2.848 0 1 FFAF CC(=O)N[C@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512657 OBFOPDFOVGZATO-FGZHOGPDSA-N 365.429 2.881 0 1 FFAF COC[C@@]1(CC(=O)OC(C)(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963630109 BOAIERKWVMJERY-ZUOKHONESA-N 365.470 2.812 0 1 FFAF CC(C)(C)NC(=O)Nc1ncnc2c1cnn2CCN1CCCCCC1 143202824 FZYPSCWQRUZING-UHFFFAOYSA-N 359.478 2.622 0 1 FFAF CC(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1 1772578912 GWKXOGQGYRPLDL-UHFFFAOYSA-N 369.400 2.601 0 1 FFAF O=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)c2ccccc2)c1 5091182 XYVLKWSIGXVUBP-UHFFFAOYSA-N 374.443 2.715 0 1 FFAF CC(C)C[C@@H](C(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 12492148 NLCPOHSSOCXNRV-CENPHQPOSA-N 352.434 2.847 0 1 FFAF O=C1C[C@H](C(=O)Nc2cc(C3CCCCC3)n(-c3ccccc3)n2)CN1 169706982 RLAGHNUFXXFUAJ-HNNXBMFYSA-N 352.438 2.995 0 1 FFAF CSc1nc(N)c2c(n1)N=C1COC(=O)[C@H]1[C@H]2c1cccc(Cl)c1 1857598048 RSROVWGACPSMNX-GHMZBOCLSA-N 360.826 2.825 0 1 FFAF O=C1[C@@H]2C[C@H]2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640902 NOOIIOJGBZCOSW-NILFDRSVSA-N 356.372 2.912 0 1 FFAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 758520 TXTRGIUXMATJEY-FUHWJXTLSA-N 374.481 2.530 0 1 FFAF CCn1ccc2c(OCC(=O)NCc3ccc(F)cc3)cccc2c1=O 4584118 YTSODXZAGHFHAK-UHFFFAOYSA-N 354.381 2.856 0 1 FFAF CN1C[C@H]2C[C@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 101271236 XXWOCVWJOICKHA-FFZOFVMBSA-N 351.446 2.948 0 1 FFAF COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1O 28567902 DIXZDARMTLSDFY-UHFFFAOYSA-N 357.366 2.674 0 1 FFAF O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 29220534 LCEHMKFPACVQAI-OCKXMSAZSA-N 370.474 2.768 0 1 FFAF CC[C@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 218887729 OZKSTTVUQRWBIO-ZDUSSCGKSA-N 372.429 2.851 0 1 FFAF Cc1nc(N)nc(-n2c(Nc3ccc4cn[nH]c4c3)nc3ccccc32)n1 71296903 GOVRODSIEWESJN-UHFFFAOYSA-N 357.381 2.721 0 1 FFAF CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)NC2CCCC2)c1 35504004 GDLKBLHGFYBFAG-UHFFFAOYSA-N 364.449 2.808 0 1 FFAF Cc1[nH]c(C(=O)NC2CCNCC2)cc1Cc1ccc(C(F)(F)F)nc1 1911572744 LVWQQYHBAWRKPC-UHFFFAOYSA-N 366.387 2.810 0 1 FFAF C[C@]1(CO)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 14637750 VXHLKWUURGGYHM-HXUWFJFHSA-N 368.341 2.733 0 1 FFAF biogenic Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)co1 82070835 IPVQVOMJRLTRHJ-OAHLLOKOSA-N 373.453 2.653 0 1 FFAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2c1ccc(Cl)cc1 143342520 SOXBWWXKFGIPHB-NSHDSACASA-N 373.844 2.985 0 1 FFAF COc1cc(O)c2c(c1)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 238785277 QBZWSCYKPATVSZ-UHFFFAOYSA-N 351.314 2.898 0 1 FFAF O=C(OCc1ccsc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377391284 YLRURIRIQRAQJJ-UHFFFAOYSA-O 361.790 2.802 0 1 FFAF CCN(CC)[N+](=O)NOCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 471915181 PGBJDXABICCNFP-HNNXBMFYSA-N 352.455 2.961 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)N(C)[C@H]1C 587393745 LEIIZBLYTUITNA-RNODOKPDSA-N 351.406 2.563 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3ccccc3s1)(C(O)O)O2 587415470 SYYGIUJYBYCWLN-IBGZPJMESA-N 355.415 2.963 0 1 FFAF COC1(OC)CCOC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606480 DETNYBDTDCGGKB-QFBILLFUSA-N 372.373 2.502 0 1 FFAF COC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354601 VGHVAAZIDLADTK-YLJYHZDGSA-N 372.348 2.781 0 1 FFAF COc1ccc(NC(C)(C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587201869 XWNDFHPNOMNBTF-UHFFFAOYSA-N 360.439 2.566 0 1 FFAF COC(=O)c1ccnc2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc12 587787331 OIDIWCHWABJAPT-UHFFFAOYSA-N 353.378 2.877 0 1 FFAF CCS(=O)(=O)c1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1 587254791 ZQIOXIKNUPKPRB-UHFFFAOYSA-N 352.419 2.984 0 1 FFAF COc1cc2c3c(c1)O[C@](C)(COC(=O)c1ccccc1N)[C@@H](C2)C3=O 587427550 DODSUARBZABJMS-VBKZILBWSA-N 353.374 2.641 0 1 FFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@@H](O)CF)c2cn1)c1ccccc1 1772577120 RYSUXHZCXKIDIQ-YPMHNXCESA-N 373.388 2.550 0 1 FFAF CC(C)CC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 1772599399 XREXUEYFLJRYOD-GOSISDBHSA-N 370.497 2.782 0 1 FFAF C[C@@](O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730900 INVDAXJKYDQCMS-LJQANCHMSA-N 362.424 2.565 0 1 FFAF COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)c2c1 1072813 KBVZYVDFFQIVIW-FUOYASODSA-N 350.418 2.835 0 1 FFAF CC(C)(C)OC(=O)n1cc(-c2ccc(NC(=O)[C@H]3CCCN3)cc2)nc1N 103267334 WQPNBTUHZVKISV-CQSZACIVSA-N 371.441 2.606 0 1 FFAF Cc1ccc(N2CCN(C(=O)c3nc(-c4ccncc4)no3)CC2)c(C)c1 9405753 BBCWKVWMUOILAE-UHFFFAOYSA-N 363.421 2.711 0 1 FFAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100797249 ZYHSHBUXMTUHNX-XSYGEPLQSA-N 361.482 2.699 0 1 FFAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCSc1ncccc1O)C(=O)O 26020919 OYQQOAPDCGGIRP-MDUDVEDUSA-N 350.440 2.790 0 1 FFAF O=C(O)c1c(CN2C(=O)Cc3cc(Cl)ccc32)ccc2c1OCCO2 66166930 KBLBOZBAVQRJSU-UHFFFAOYSA-N 359.765 2.899 0 1 FFAF in-vitro CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1cccc(NCC(=O)O)c1 63882360 QNUIMJRCFVOTTC-GOSISDBHSA-N 355.438 2.558 0 1 FFAF CC(C)(O)[C@@H](O)Cc1c(O)ccc2c(=O)cc(-c3ccc(O)cc3)oc12 15115133 ANTDQLWDPMSOHB-SFHVURJKSA-N 356.374 2.546 0 1 FFAF biogenic O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@@H]1c1ccccn1 39229182 ZGSKSRVTFKPQSY-MAUKXSAKSA-N 352.438 2.727 0 1 FFAF CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1 299822587 CYOZTHHVFZGBFX-UHFFFAOYSA-N 369.433 2.967 0 1 FFAF O=C1c2ccccc2CN1C1CCN(C[C@H](O)COc2ccccc2)CC1 473145538 WNTURYBMEBLEJN-IBGZPJMESA-N 366.461 2.547 0 1 FFAF C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652104 KYODTIAIJKNCDF-SNVBAGLBSA-N 372.764 2.886 0 1 FFAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 587650824 USFRBYNIRKKTTH-LQPMFNLWSA-N 374.462 2.562 0 1 FFAF CC[C@H]1C(=O)C[C@@H]2[C@H]3CC[C@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 685935947 JHBBZIAPXDEPET-MWIKYUIJSA-N 350.499 2.537 0 1 FFAF biogenic,in-vitro CC(C)C(=O)[C@H]1C(=O)c2ccccc2[C@@]12NCCc1c(C(=O)O)cccc12 963136171 YZNPWIMOYVZRBW-PGRDOPGGSA-N 363.413 2.812 0 1 FFAF Cc1nc(N)sc1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759116 AUPHSVNUPMMLMZ-NHYWBVRUSA-N 355.385 2.943 0 1 FFAF CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)c1ccccc1)c(C)n2O 200047698 HNANZGUBUSVERU-UHFFFAOYSA-N 353.354 2.509 0 1 FFAF Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 1857579772 XZBHHMXMBIDGTB-CQSZACIVSA-N 371.466 2.772 0 1 FFAF O=C(c1cc(C(F)(F)F)no1)N1CCO[C@@H](c2cc3ncccc3[nH]2)C1 1857606802 LEIMWPHCQNXKKM-CYBMUJFWSA-N 366.299 2.783 0 1 FFAF COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C 770347 WQMDPWQKDSBDFJ-AZUAARDMSA-N 367.449 2.941 0 1 FFAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049498 KXCNGHBAKLLPMA-RDJZCZTQSA-N 362.788 2.679 0 1 FFAF COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccccn1 7992824 ZGRLNDYJXKQQSA-IERDGZPVSA-N 365.433 2.706 0 1 FFAF O=C(c1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 100107012 VTQZOYHAVYTRRS-WKCHPHFGSA-N 356.429 2.724 0 1 FFAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(Br)ccc21 61943355 BHDLZPJXKWGQPM-ZDUSSCGKSA-N 368.252 2.731 0 3 FFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccccc2)CC1 2356670142 AZLCTTXLMHPKNM-HBMCJLEFSA-N 355.526 2.859 0 1 FFAF COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1 114019802 HACNKVZFEWDXCA-TZMCWYRMSA-N 364.405 2.604 0 1 FFAF O=S1(=O)N=C(NCc2ccccc2Cl)Nc2c(O)cc(Cl)cc21 28822803 IRWOIYOJJPHOJF-UHFFFAOYSA-N 372.233 2.959 0 1 FFAF COc1ccc([C@@H](O)CN2CCC3=C(C2)NC(=C2C=C[CH]S2)N3C)cc1 2356841647 YOKOTRHTALXWIJ-SFHVURJKSA-N 370.498 2.815 0 1 FFAF Cn1cc(-c2cnn3c(Nc4ccccn4)cc([C@H]4CCCNC4)nc23)cn1 66101698 JABANGKXVZEAJQ-AWEZNQCLSA-N 374.452 2.735 0 1 FFAF CCOC(=O)c1ccc(OCC[C@H]2CN(c3ccc(C)nn3)CCO2)cc1 72126997 SOGNSBBKLSTULS-SFHVURJKSA-N 371.437 2.636 0 1 FFAF CCn1cnc2cnc(Nc3ccnc(N4CCC(OC)CC4)n3)cc21 222708322 UYZYANPFOAPRFB-UHFFFAOYSA-N 353.430 2.600 0 1 FFAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccn3)nn2)ON1C 82153871 YILSWFLHAMIHBK-LSDHHAIUSA-N 367.346 2.698 0 1 FFAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2ccncc2)C1 140224332 NFZXEOCZRFLMNJ-UHFFFAOYSA-N 356.389 2.655 0 1 FFAF COc1cc(C)c2c(c1C=O)Oc1c3c(c(O)c(C)c1OC2=O)C(=O)OC3 238754512 RWGDJPIBGCVKFH-UHFFFAOYSA-N 370.313 2.825 0 1 FFAF C[C@@H]1C[C@@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 238731691 ZYJCMELXLDUBCU-IQEQQKLMSA-N 358.390 2.534 0 1 FFAF CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 250687226 HHSFJHANGGIQHQ-ASTRLGPVSA-N 356.466 2.752 0 1 FFAF O=C(Nc1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)cc2nc[nH]c12 621477584 CYSZVPMNJBULPW-UHFFFAOYSA-N 373.298 2.810 0 1 FFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN[C@H](C)[C@]12CC[C@H]2C 299805859 PERXRZUOQHGJMN-FQISQEPUSA-N 351.878 2.827 0 1 FFAF CC[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582038 NHJSEAAPIGVBDZ-BEFAXECRSA-N 351.362 2.788 0 1 FFAF CCOC(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 587230114 FKPJOTJFDWTZKO-CABCVRRESA-N 373.453 2.776 0 1 FFAF NC(=O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041770 FEUQQDWPRMQYNC-ZDUSSCGKSA-N 372.837 2.971 0 1 FFAF Cc1ccc2c3c(cc(CN4C(=O)COCC4=O)nc13)-c1ccccc1C2=O 587097278 MWWVXAHTHDSZCO-UHFFFAOYSA-N 372.380 2.640 0 1 FFAF CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21 13745301 UFPKEXXCLVTSBS-UHFFFAOYSA-N 368.372 2.940 0 1 FFAF CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1 17917244 RXPVMDMIDFRLFK-UHFFFAOYSA-N 370.434 2.881 0 1 FFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccccc2)C1 767178 ALCHWCWPKGFQHT-QRWLVFNGSA-N 373.453 2.553 0 1 FFAF COc1cc(C(=O)N[C@H]2CCC[C@H]3CN(C)CC[C@H]23)cc(OC)c1OC 2012423 QZGOPRYNEGQTLA-BPUTZDHNSA-N 362.470 2.563 0 1 FFAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4052603 KDIJDWNBCDDYQN-DOTOQJQBSA-N 358.463 2.975 0 1 FFAF COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1ccccc1F)N(C)C2=O 4563249 WPMCPAWLVWCAPO-IRXDYDNUSA-N 359.353 2.838 0 1 FFAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 8661211 WZJDWCJBFDFSLU-DLBZAZTESA-N 356.447 2.517 0 1 FFAF NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 28949343 GZWWIOYEXMRCSJ-ZDUSSCGKSA-N 365.393 2.504 0 1 FFAF COc1ccccc1OC[C@H](O)CCN1CCN(c2ccccc2)CC1 29481060 BAWIGKXFHFQKOL-LJQANCHMSA-N 356.466 2.647 0 1 FFAF CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(/C(O)=C/C(=O)O)c2C1 111967051 ICXRSMFOBZJOEB-OKHBPPCESA-N 360.362 2.654 0 1 FFAF COc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948148 BGCGXOOJJMGOQV-CPGUEHHYSA-N 353.466 2.894 0 1 FFAF COc1cccc([C@](O)(COc2ccccc2C)CN2CCN(C)CC2)c1 73156790 VXPILWLRLIZERK-JOCHJYFZSA-N 370.493 2.518 0 1 FFAF CC(C)=CCn1cc(C[C@@H]2NC(=O)[C@@H](C(C)C)NC2=O)c2ccccc21 13430505 MGOFATRHLJYLQK-PKOBYXMFSA-N 353.466 2.789 0 1 FFAF biogenic O=C(Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21)c1ccccc1 139093762 BRCCFROHQOTLLQ-UHFFFAOYSA-N 373.368 2.799 0 1 FFAF Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1 139581267 MMXJQTHNGSUJMR-KRWDZBQOSA-N 357.414 2.967 0 1 FFAF CC/C=C\CCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094945 PKPXVGIKUXUYEF-TZNMXKOXSA-O 358.499 2.747 0 1 FFAF in-vitro CCCCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CCN1 148515931 KSHMXPLRJFLYJK-ROUUACIJSA-N 351.535 2.986 0 1 FFAF C[C@@]12[C@H]3C[C@@](C)(O)[C@]45C[C@H](c6ccoc6)O[C@H]4O[C@@H](CC[C@H]15)[C@@H]2C(=O)O3 238785878 WFNOPFDDUYBCLS-WDXCKDFGSA-N 360.406 2.565 0 1 FFAF CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 250687240 HHSFJHANGGIQHQ-WMIGDMCZSA-N 356.466 2.752 0 1 FFAF Cc1cc(C(=O)O)nc(N2CCN(c3ccccc3C(F)(F)F)CC2)n1 473089049 KCJJZNLXEHBNFR-UHFFFAOYSA-N 366.343 2.829 0 1 FFAF CCn1cc(Br)c(Cc2nc3ccc(C(=O)OC)cc3[nH]2)n1 587000344 MHUVWDWSUCQRAQ-UHFFFAOYSA-N 363.215 2.919 0 1 FFAF CC(=O)N[C@H](Cc1nc2cc(=N)[nH]cc2[nH]1)c1ccc(Br)cc1 586986034 UVPLMLYTADANJG-GFCCVEGCSA-N 374.242 2.553 0 1 FFAF CN1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(F)(F)F)N1 587502331 DRVWGPAPVMTZGQ-UKPHBRMFSA-N 354.372 2.896 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CS(=O)(=O)C1 587494440 XGIBOLASWQCPFB-SFHVURJKSA-N 352.452 2.893 0 1 FFAF N[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1COC1 587255498 IGDHUNPMFDBQSA-SECBINFHSA-N 366.137 2.870 0 1 FFAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnnc(O)c2[nH]1 586999593 AGQOKZSHVJSQSO-JTQLQIEISA-N 373.214 2.545 0 1 FFAF Cc1nn(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c(C)c1Cl 587064807 HKUPPRRWESYFJO-UHFFFAOYSA-N 356.773 2.887 0 1 FFAF COCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990019 TZTHROFGYJRBAS-UHFFFAOYSA-N 363.369 2.884 0 1 FFAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435934 KMWYDABSNIEMMS-YWMUFLPLSA-N 367.401 2.943 0 1 FFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(Br)c2[nH]1 587256760 RCMSZAHGRXPYEX-SNVBAGLBSA-N 354.248 2.927 0 1 FFAF Clc1cc(Cl)c2c(c1)[C@@H](c1cnc(N3CCOCC3)nc1)NCC2 963102772 FPJJFUPGNCPBAI-MRXNPFEDSA-N 365.264 2.855 0 1 FFAF NC(=O)N1CCCc2cc(-c3cncc(COC4CCOCC4)c3)cnc21 1772612777 AMZUOSIKTKQMGO-UHFFFAOYSA-N 368.437 2.671 0 1 FFAF CC(C)CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 150338619 QSPUODWHQMJTCS-YIOZNXECSA-N 361.463 2.619 0 1 FFAF CC(C)(CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165828723 GQRJWSGQKIVAQV-UHFFFAOYSA-N 353.422 2.735 0 1 FFAF O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21 1857568206 WZAVJOVXKFCADI-UHFFFAOYSA-N 353.357 2.904 0 1 FFAF Cn1cc(-c2cnc3nc(O)n(Cc4ccc5ncccc5c4)c3n2)cn1 1857579754 QGPZKYOFMRFGKB-UHFFFAOYSA-N 357.377 2.529 0 1 FFAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C 2356401390 BUMAUDJEGAOISB-WEKABJADSA-N 354.487 2.733 0 1 FFAF O=C1CC([C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 6575106 GNUPHLQTBKINMV-IBGZPJMESA-N 353.418 2.841 0 1 FFAF O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 103464864 OKSUXSKEZHORAD-INIZCTEOSA-N 362.271 2.700 0 1 FFAF O=C(NC[C@@H]1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118673711 VYRHSZRZVBIDCD-NSHDSACASA-N 356.451 2.869 0 1 FFAF O=C(O)c1ccc(CN2CCN3C(=O)N(Cc4ccccc4)C[C@@H]3C2)cc1 2356503999 BPWNCGHZFPPPNK-IBGZPJMESA-N 365.433 2.507 0 1 FFAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13CC[C@@]14COC(=O)C1=CC[C@H](O3)[C@H]42 2356530199 HQXPEPNOBAUHLR-FMLPJPNWSA-N 356.374 2.695 0 1 FFAF COc1ccc([C@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251498 CZLTUGLGNAYFFF-CYBMUJFWSA-N 359.378 2.905 0 1 FFAF CN(C)C(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185967 KFGCMHFYLHWNHX-KRWDZBQOSA-N 359.861 2.519 0 1 FFAF NCCNC(=O)c1cncc(-c2cnc(Nc3cc(Cl)ccn3)s2)c1 84605314 BOAVXSFJTVSKNR-UHFFFAOYSA-N 374.857 2.686 0 1 FFAF Cc1noc(C)c1-c1ccc2c(=O)n(C)n3c2c1OC[C@H]3c1cccnc1 223113083 JIWZXZCQZJYFQM-INIZCTEOSA-N 362.389 2.989 0 1 FFAF CCOP(=O)(OCC)[C@@H](O)c1cc2ccc(OC)cc2n2nnnc12 49125557 QJCKRDJQKCURGZ-OAHLLOKOSA-N 366.314 2.543 0 1 FFAF C/C(=C/C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O 238737497 CEDNNIXKNUOVGD-PYJMUDTRSA-N 354.487 2.733 0 1 FFAF O=C(NCc1cncnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271693 LUKGDWAOTYXHEM-UHFFFAOYSA-N 368.418 2.631 0 1 FFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1N 299840691 YQBZRMIWFZUIFI-UHFFFAOYSA-N 364.785 2.691 0 1 FFAF CCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C(F)(F)F 587652049 UZVLJQLRGSBKAN-UHFFFAOYSA-N 370.718 2.974 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CO)c2ccccc21 587489935 XDLZKOUVBZEDDW-HXUWFJFHSA-N 353.374 2.502 0 1 FFAF CCC(=O)N[C@@H](O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386870 MLJUFZRPQJJVOU-LEWJYISDSA-N 368.433 2.591 0 1 FFAF N=c1cc[nH]cc1-c1nc2c(I)cnc(Cl)c2[nH]1 587248743 CVHSHGXAYYAAIV-UHFFFAOYSA-N 371.569 2.690 0 1 FFAF Cc1cn(C)nc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691299 CCGWBPGUBJLMBA-JSGCOSHPSA-N 357.307 2.575 0 1 FFAF CCOC(=O)COc1ccccc1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962912648 AGRCKNVSXDGAMU-OAQYLSRUSA-N 371.481 2.895 0 1 FFAF C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)S1 962893936 GMTQQYQVBFNYQA-ZFWWWQNUSA-N 374.441 2.954 0 1 FFAF Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O 220614214 BLOUPYAWOJLXAX-UHFFFAOYSA-N 355.221 2.760 0 1 FFAF COc1cc(NC(=O)C(=O)N(C)c2ccccc2)ccc1-c1cnco1 13441238 KCOQUQDKFZDZHO-UHFFFAOYSA-N 351.362 2.952 0 1 FFAF COc1cc([C@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)cc2c1OCO2 14436419 OPMVFPLFBRWXER-LLVKDONJSA-N 360.318 2.550 0 1 FFAF endogenous,in-man C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12 591708 WJXFRKFRTLXOPO-MRVPVSSYSA-N 351.382 2.716 0 1 FFAF COCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1 4881583 YKGIEHUMLGLFHI-UHFFFAOYSA-N 370.434 2.659 0 3 FFAF COc1ccc(-n2cncn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938167 UEVAJSKRFJXQKF-FPOVZHCZSA-N 363.465 2.859 0 1 FFAF Clc1cnc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 114581101 OEEVLYURDVGDRZ-LBPRGKRZSA-N 361.858 2.597 0 1 FFAF COc1cc(OC)cc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)c1 28567731 VREIKAZIFHWEAP-UHFFFAOYSA-N 371.393 2.977 0 1 FFAF C[C@@]1([C@@H](O)CCO)C=C2CC[C@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@@H]2CC1 70455256 GNPDLQDXTKVGFC-SVMVYQPLSA-N 352.515 2.642 0 1 FFAF biogenic,in-vitro COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1N 40404007 VKMMSKMOFCQNBK-UHFFFAOYSA-N 356.382 2.551 0 1 FFAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 45321356 WSFPEOPUUJFNEF-CBPXPLCBSA-N 371.569 2.967 0 1 FFAF Nc1nc(C2CC2)nc2c1nnn2C[C@H]1CCCN(Cc2ccccc2)C1 84690849 CDUYOUZHJFOBBX-HNNXBMFYSA-N 363.469 2.593 0 1 FFAF O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)O[C@H](CCO)CC3 85569496 IEYZRXXFPOGRTP-LBPRGKRZSA-N 370.357 2.653 0 1 FFAF biogenic,in-vitro COC(=O)[C@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccccc1 95598902 CHRDGZNZQDOXEM-MJGOQNOKSA-N 357.431 2.960 0 3 FFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCCOC4)ncc23)ccn1 261089803 DGSILWJRDTVIQN-ZDUSSCGKSA-N 352.398 2.629 0 1 FFAF O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 299845122 CHIDLXWKQGTIMW-ODYMNIRHSA-N 370.430 2.639 0 1 FFAF COc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587585950 IXSHVCDMANNAFQ-YJBOKZPZSA-N 350.330 2.894 0 1 FFAF CC(=O)NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC(C)CC1 587233864 FMXVMTGSJKVCIK-UHFFFAOYSA-N 370.497 2.937 0 1 FFAF COc1cc2c3c(c1)O[C@@](c1cc4ccccc4s1)(C(O)O)[C@@H](C2)C3=O 587454711 ZXEKVBREYXPSBY-RBZFPXEDSA-N 368.410 2.864 0 1 FFAF CCCc1c(O)ccc2c1O[C@](C)(C1CCS(=O)(=O)CC1)CC2=O 587489102 AVDOBGWZNGJSCW-SFHVURJKSA-N 352.452 2.893 0 1 FFAF Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2nc(O)[nH]c2c1 1772631333 NCPGRDOVYIYSQY-UHFFFAOYSA-N 358.361 2.749 0 1 FFAF O=c1[nH][nH]c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 169352768 RQMGEKVSMOZQRU-UHFFFAOYSA-N 361.386 2.655 0 1 FFAF COc1ccc([C@@H](C)NC(=O)n2sc3ncccc3c2=O)cc1OC 169711331 LTXBHPWMOKGCHN-SNVBAGLBSA-N 359.407 2.794 0 1 FFAF COCC(=O)N[C@@H](C)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857755628 VOULVIQHGFMFNG-VHSSKADRSA-N 353.422 2.647 0 1 FFAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)Nc1ccccc1 2356316335 XFZLBUZZVUKTDB-XGFOFXRLSA-N 361.482 2.562 0 1 FFAF COc1cc([C@@H]2Oc3ccc(C=CCO)cc3[C@H]2CO)cc(OC)c1OC 2356332455 FKFHXYWDVKLRMA-UZLBHIALSA-N 372.417 2.928 0 1 FFAF O=C(Nc1nncs1)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 100658288 XQDADCZTRZQWHN-AWEZNQCLSA-N 366.377 2.982 0 1 FFAF NC(=O)c1cccc2c(N[C@@H](Cn3ccnc3)c3ccccc3)ncnc12 114345718 ZOAQMCSHCNWYTR-KRWDZBQOSA-N 358.405 2.779 0 1 FFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C(C)C)n1 2356499331 BTOLLRDJMUUBFJ-BQJUDKOJSA-N 369.509 2.599 0 1 FFAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCC(=O)O)c1 28463260 NLXKZEFUHHGBMM-UHFFFAOYSA-N 371.389 2.551 0 1 FFAF CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nccs1 34136541 GRFGENPMKNLCRJ-RAXLEYEMSA-N 361.448 2.982 0 1 FFAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1 71329466 NVZFTEWCKUYXCM-UHFFFAOYSA-N 365.418 2.673 0 1 FFAF CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21 49033494 WKKRJIVFCWLDCU-UHFFFAOYSA-N 370.497 2.519 0 1 FFAF CC(C)NC[C@@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224568586 IFQNGQJMZUVKDY-CQSZACIVSA-N 374.460 2.870 0 1 FFAF CC[C@H](O)/C=C\C=C/C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 231931466 JQFGUBLRJFEKMI-QKMKOKNRSA-N 350.455 2.905 0 1 FFAF O=C(NCc1ccc(CN2CCCC2)cc1)c1csc2nc[nH]c(=O)c12 96933970 HVAFXYJJYGKBLB-UHFFFAOYSA-N 368.462 2.510 0 1 FFAF N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)[n+]3[O-])cc2c1 473153704 CMQOQSPVFQTXTQ-UHFFFAOYSA-N 350.422 2.904 0 1 FFAF O=C1OCC2=C1[C@H](c1cccc3c1OCO3)c1cc3c(cc1N2)OCO3 653821695 QPQGJTILLOSEOH-MRXNPFEDSA-N 351.314 2.512 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)O2 587403566 IRQXXWYQNQYXIH-MNAOLDLYSA-N 371.433 2.697 0 1 FFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587516953 YFBUOFIIDNQTFH-HXUWFJFHSA-N 354.406 2.861 0 1 FFAF O=S(=O)(Cc1ccccc1-c1nc2cncnc2[nH]1)c1ccccc1 586920954 AKQQYUXCGPUGSJ-UHFFFAOYSA-N 350.403 2.994 0 1 FFAF O=C(O)CCc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O 587944067 YJNAZWIJOOSCIM-UHFFFAOYSA-N 362.126 2.946 0 1 FFAF COC[C@]1(c2ccnn2C)c2cccc(Br)c2CCN1C 963279847 JTEWSOKZIPIQES-MRXNPFEDSA-N 350.260 2.561 0 1 FFAF CCc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239609 XIVIKCCQGQNPRN-KNQAVFIVSA-N 373.412 2.592 0 1 FFAF CCCC[C@@]1(C2CCCC2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215442 ALAVDZNZDUERLH-XGHQBKJUSA-N 370.497 2.743 0 1 FFAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NC3CC3)n2)n2n1CCC2 13560995 UBGIJAMGCVSDSG-UHFFFAOYSA-N 351.385 2.891 0 1 FFAF O=C(NCc1ccc(Cl)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205681192 STKRPQBTVZSWNF-UHFFFAOYSA-N 373.771 2.865 0 1 FFAF CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 4058298 XECIQQVBKABCHR-GDLCADMTSA-N 363.357 2.606 0 1 FFAF CCCNC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 27654280 UKYYMRINEKZAAX-WJPUGNRLSA-N 372.465 2.994 0 1 FFAF NC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 113652704 WEVVXJFJOURPCJ-UHFFFAOYSA-N 370.844 2.563 0 1 FFAF CCc1nnc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)s1 26439875 DLKYYKCXGYDUHW-UHFFFAOYSA-N 365.890 2.515 0 3 FFAF C[C@]12C[C@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@@H]2C[C@H]2COC(=O)[C@@]21O 2356646913 TVGJRQSGUWVHFC-HWUXIDNTSA-N 358.390 2.534 0 1 FFAF O=C(Nc1ccccc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356737828 USIZACMOZWPLRT-SFHVURJKSA-N 368.412 2.980 0 1 FFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCC2CCCCC2)n1 2356844677 NXWGAMKHRLVUSY-RWQQGDIJSA-N 374.529 2.891 0 1 FFAF CC(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(C)c(O)cc2O)cc1 49803751 WNKKHZSNKDFQFQ-UHFFFAOYSA-N 365.389 2.929 0 1 FFAF CC1(C)OC[C@@H](CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)O1 199391041 DGMGDNSVAQHTAV-LLVKDONJSA-N 369.343 2.977 0 3 FFAF O=C(CCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1 84670849 ITMQGDDPFZOVDW-UHFFFAOYSA-N 367.478 2.871 0 1 FFAF CN1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3Cl)CCO2)C1 40896992 ZGISMGAEOZRHAF-INIZCTEOSA-N 351.903 3.000 0 1 FFAF COc1cc([C@H]2C[C@]2(CO)C(=O)Nc2ccccc2)cc(OC)c1OC 95594323 QOJRMWXYWWUAQY-FOIQADDNSA-N 357.406 2.817 0 1 FFAF C[C@@H]1C(=O)N(C(=O)[C@@H]2[C@@H](C)[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 254133157 UOZDCCIXXAQPLF-LAEBKXJHSA-N 370.449 2.673 0 1 FFAF CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc2c(c1)OCO2 299825443 COACAQXAKJVJDT-UHFFFAOYSA-N 351.362 2.899 0 1 FFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@@H]2CCO)N1 587762311 SHSWIZKYTCUJQV-ZUCKAHLUSA-N 371.294 2.652 0 1 FFAF CCOC(=O)c1cn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517644 RPGNLCOXFDPTGN-FQEVSTJZSA-N 369.421 2.758 0 1 FFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587784818 JTHVBXSSVJQASG-STQMWFEESA-N 363.373 2.837 0 1 FFAF COC(=O)[C@@H]1SCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854937 DZHBTASUQJPCCN-IIRLODAESA-N 374.275 2.996 0 1 FFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586940859 IJNVAXOKWUZLQA-VOTSOKGWSA-N 371.418 2.690 0 1 FFAF CN(C)[C@H](Cn1c(O)cc(C(=O)O)c1O)c1cccc(Br)c1 587939718 KUTWENAIVSNGPA-GFCCVEGCSA-N 369.215 2.663 0 1 FFAF NC(=O)Nc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587243026 BFZWCZUXKSIMFO-UHFFFAOYSA-N 351.410 2.553 0 1 FFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)O2 587385210 AOJNJHRJDMTHLZ-RDTXWAMCSA-N 350.390 2.870 0 1 FFAF COc1ccc(CN=c2[nH]c(N3CCC[C@H]3CO)nc3ccccc23)cc1 1857614216 IHUSICOIARTGJM-INIZCTEOSA-N 364.449 2.634 0 1 FFAF CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114345216 LAJUPICIRDRINN-HNNXBMFYSA-N 355.829 2.755 0 1 FFAF CC(C)NC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 21639035 BFHCYHIOMWRUNC-UHFFFAOYSA-N 353.831 2.674 0 1 FFAF Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1CCc1ccccc1 34717858 IUWOBILYJWQZQU-UHFFFAOYSA-N 364.449 2.683 0 1 FFAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](NC(=O)[C@@H]4CC4(F)F)CC3)c12 1911577616 OWAGRTBSGRSEOG-NHCYSSNCSA-N 350.369 2.770 0 1 FFAF CCN1CCN(c2ncc(C)c(N[C@@H](C)[C@@H]3CCC[C@H](OC)C3)n2)CC1 82202672 JPVIQWFSMNSFQB-KSZLIROESA-N 361.534 2.933 0 1 FFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 139137001 BTZIDJQRUXBZIL-SMOSDQRPSA-N 361.397 2.942 0 1 FFAF OC[C@@H]1[C@@H](COCc2ccccc2)C[C@H]1n1cnc2c(Cl)ncnc21 40602229 JDMXELSBXFFVRB-RBSFLKMASA-N 358.829 2.866 0 1 FFAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95566850 KDPAURVWQDWNAY-LJQANCHMSA-N 354.406 2.801 0 3 FFAF CC1(C)COCN1C(=O)c1ccc(OC(F)(F)F)c(OCC2CC2)n1 146301618 WEBQDSSOWLKLLA-UHFFFAOYSA-N 360.332 2.978 0 1 FFAF CC(C)(C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O 299860703 GZOPZNBLHBZYEP-UHFFFAOYSA-N 361.271 2.689 0 1 FFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(OC)cc3[nH]2)cc1 586937454 DZKHLQWDJAAKIH-NSHDSACASA-N 360.439 2.710 0 1 FFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nccc1C 587869673 MNGCQKIAFDHQFP-UHFFFAOYSA-N 365.315 2.818 0 1 FFAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 586918068 WAIMVXFVMSRVDF-DYZYQPBXSA-N 356.407 2.564 0 1 FFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 587106100 IEARJBAZFKBQSB-WAWZGNHOSA-N 356.381 2.759 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C 586932829 JLBCEKYPVCRPPD-GJZGRUSLSA-N 367.475 2.703 0 1 FFAF COc1cc2c(cc1[C@@H]1NCCc3c1c(C(C)C)nn3C)OCCCO2 962922388 WKCUADUZNLWUDH-FQEVSTJZSA-N 357.454 2.949 0 1 FFAF CC(=O)OC[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225332 DCOOMIGNDNLXKM-PXNSSMCTSA-N 356.422 2.638 0 1 FFAF Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)CN(C)C 1772655017 YCLIQQCEYGFVMM-UHFFFAOYSA-N 353.451 2.985 0 1 FFAF CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cnc(N)nc3)C2)c1 12711573 WVFICROTKIKORC-QGZVFWFLSA-N 354.454 2.941 0 1 FFAF COc1cccc(C[C@H]2COc3c(OC)c(O)c(C)c(OC)c3C2=O)c1O 13481981 VYQRDDWHTRSYGE-LBPRGKRZSA-N 374.389 2.866 0 1 FFAF biogenic O=P(O)(O)C(Nc1ccc(F)c(-c2ccccc2)c1)P(=O)(O)O 13678566 GYJMOIAZSFBVFH-UHFFFAOYSA-N 361.202 2.544 0 1 FFAF Cc1[nH]c2cc([C@@H]3CCN(Cc4cccc(F)c4F)C3)nn2c(=O)c1C 19556047 NGXDPRPZKQRMAZ-CYBMUJFWSA-N 358.392 2.907 0 1 FFAF O=C([C@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1)N1CCSC1 1492689 QZYIRGJJFRDKBY-MAUKXSAKSA-N 358.507 2.706 0 1 FFAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNC(C)C)O3)no2)cc1 2356312743 JEBNURKFIPMVIQ-NSHGMRRFSA-N 360.454 2.799 0 1 FFAF O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)N1CCOCC1 3040644 DPHSVNDBIJMJLQ-UHFFFAOYSA-N 368.458 2.798 0 3 FFAF Cn1cc(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)cn1 103242968 HMPOJRZNFPUIOX-UHFFFAOYSA-N 360.465 2.909 0 1 FFAF O=c1c(Br)c(NC[C@H]2CCCO2)cnn1-c1ccccc1 103235327 GUMPAXGRKZYKRL-GFCCVEGCSA-N 350.216 2.586 0 1 FFAF Nc1nc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n[nH]1 27650642 NEKSUNNGESTBDF-QGZVFWFLSA-N 368.872 2.952 0 1 FFAF COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@@]4(O)CO)nccc3c12 103250825 NDJNRBQJLNVWPV-QKAVXHIFSA-N 370.449 2.713 0 1 FFAF CCOC[C@@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)[C@@]3(C)CNC(=N)NC 2356424336 OFXXABHJXYDTNN-NTLNUMAZSA-N 363.502 2.610 0 1 FFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@H]2C(=O)CO 2356549107 RHQQHZQUAMFINJ-JKVYTPNFSA-N 350.499 2.538 0 1 FFAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2ccco2)nn1C 2356818014 DPSKJSAYDSPXAH-BZUAXINKSA-N 372.469 2.994 0 1 FFAF CN(C)CCN1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 39223508 OBPVGZCQIXQUBB-RBBKRZOGSA-N 352.478 2.641 0 1 FFAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@]2(O)C(=O)O1 43510535 AALLCALQGXXWNA-CGVQXABUSA-N 358.390 2.533 0 1 FFAF CC(=O)N(C)CCOc1cnc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144835598 RIKUJZDSSCNABB-QGZVFWFLSA-N 366.339 2.717 0 1 FFAF CC[S@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(F)cc1F 96930148 BYGKUAPBOBUHDD-XZOQPEGZSA-N 365.467 2.814 0 1 FFAF COc1cc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc3c(c2)OCO3)ccc1O 238769309 WTGJOVWSHSCACR-QEEYODRMSA-N 358.390 2.668 0 1 FFAF COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3[C@@H]2CO)ccc1O 238741073 UVDICCHWGJQZBX-JBNOMKJRSA-N 358.390 2.625 0 1 FFAF CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 261150520 OVICWRANQXMJNG-BVGQSLNGSA-N 366.490 2.832 0 3 FFAF O=C1C[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587530878 WHVWEFTWTHXDRL-MBRPKMFXSA-N 370.401 2.711 0 1 FFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(F)cnc2[nH]1 587202168 GGOSKFQUYSNTOB-ZDUSSCGKSA-N 358.329 2.539 0 1 FFAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(N)ncnc3[nH]2)c(O)c1 587240531 KDBQAPUTEHRCEK-UHFFFAOYSA-N 374.404 2.797 0 1 FFAF COC(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1OC 587926714 NTRXLYBNQUYDMI-UHFFFAOYSA-N 356.378 2.966 0 1 FFAF CCOC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794842 HJOJPYRBZJCPDO-HWPZZCPQSA-N 374.250 2.917 0 1 FFAF COc1ccc(OC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587945436 LPHLEFXLIDCRJX-UHFFFAOYSA-N 374.397 2.965 0 1 FFAF O=C(NCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cc2c(s1)CCC2 587034758 LFPUMYRVOQQFID-UHFFFAOYSA-N 359.382 2.880 0 1 FFAF CN(C)C(=O)c1ccc2c(c1)[C@@](C[C@@H]1CCCN1)(c1ccccc1)NCC2 962927495 RHQRDVHQPZDNIV-NZQKXSOJSA-N 363.505 2.920 0 1 FFAF COCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)OC)[C@H]1C 13816426 RSVJFSYTDHCFMC-SWHYSGLUSA-N 374.359 2.596 0 3 FFAF COc1cc2ncnc(N3CC[C@@H](Oc4ccccn4)C3)c2cc1OC 14956467 CEPHQHUNHIGGLV-CYBMUJFWSA-N 352.394 2.700 0 1 FFAF O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1C[C@@H](C(=O)O)CC2 169339713 DWJDJEWATJGLSP-QMMMGPOBSA-N 354.284 2.779 0 1 FFAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NC[C@H](O)CO 776315 BXMXXYKDMUJHRZ-JTQLQIEISA-N 370.808 2.515 0 1 FFAF C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cccc5[nH]ccc45)nc3c21 118541827 SJVMQWGTFUTOOH-GFCCVEGCSA-N 373.416 2.985 0 1 FFAF CC[C@@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356498286 PQNOCJMPOHKMIT-UBXFFTSVSA-N 364.526 2.927 0 1 FFAF O=C1N[C@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ncccc21 61921468 BWVQORVRMBWHOK-GOSISDBHSA-N 368.396 2.808 0 3 FFAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 34629924 OPICQGZFKRRTAK-UHFFFAOYSA-N 371.481 2.686 0 1 FFAF CC(C)Oc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 49014025 BMTKUMNAVZOJQX-UHFFFAOYSA-N 360.479 2.531 0 1 FFAF CN(CC(=O)OC[C@@H]1CCCN1C)C(=O)c1csc(-c2ccccc2)n1 82073982 MVGIVJGHYSYHKH-HNNXBMFYSA-N 373.478 2.520 0 1 FFAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1COCC[C@@H]12 98208343 BGRWOLNAPSRJIS-UCLAIMLFSA-N 371.824 2.740 0 1 FFAF in-vitro 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CC(C)C[C@H]1COCn2nncc2CC[C@@H](Cc2ccccc2)C(=O)N1 95599091 DBONWOYYEUOBEW-ROUUACIJSA-N 356.470 2.588 0 1 FFAF CC(C)Cn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1 96937456 ODYAJWNOJDWIDV-UHFFFAOYSA-N 353.474 2.755 0 1 FFAF CCn1ncc2c(C)cc(-c3ccc([C@@]4(C)CCNC4=O)c(O)n3)cc21 474607161 JQMSNOYFFJVKQT-HXUWFJFHSA-N 350.422 2.910 0 1 FFAF CC(C)(C)NC(=O)OC1CCN(CCc2cccc3c2CC(=O)N3)CC1 299871895 ZJSBMQNEIWWHQB-UHFFFAOYSA-N 359.470 2.713 0 1 FFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([C@@H](N)N=O)cc3[nH]1)C2 587246024 CMUZDKROQWHALA-HKUYNNGSSA-N 351.410 2.638 0 1 FFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(=N)[nH]cc4[nH]3)c2)c1 587235848 QPCJRJADWXCODW-UHFFFAOYSA-N 357.417 2.988 0 1 FFAF CCOC(=O)[C@]1(c2cnc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 587394298 SZEMPSGIGQYJNF-HXUWFJFHSA-N 365.389 2.649 0 1 FFAF CS(=O)(=O)Nc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 586951061 RVCCNUCYQXYURT-UHFFFAOYSA-N 367.228 2.759 0 1 FFAF Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)s2)cn1 587020735 APVWYLYFTHNHRK-UHFFFAOYSA-N 350.407 2.972 0 1 FFAF COC(=O)[C@@H]1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC 587527647 XMTSWRUMNMVLLI-HZPDHXFCSA-N 372.417 2.642 0 1 FFAF COC(=O)CC[C@]1(c2ccccc2N)CC(=O)c2cc(C)cc(N)c2O1 587392382 YMCDOTFVIXOSQG-HXUWFJFHSA-N 354.406 2.973 0 1 FFAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587559487 JECRAKMKPQALGI-UHFFFAOYSA-N 355.350 2.519 0 1 FFAF O=C(O)C/C=C1\Nc2sc3c(c2C(=O)N1C[C@@H]1CCCO1)CCCC3 958059153 RLERDTLWHOFJPM-NGPAHMQLSA-N 362.451 2.990 0 1 FFAF Cc1c(F)ccc2c1[C@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)NCC2 962378820 URGWJIKNSFLTAH-LIRRHRJNSA-N 366.433 2.863 0 1 FFAF CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@H]2[C@H](/C=C/1C)OC(=O)[C@@H]2C 13323203 OHMAVTDVTQMMMR-JSJMNNOOSA-N 350.411 2.714 0 1 FFAF in-man Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 169685428 WMJNGKAPGOFTSV-CJNGLKHVSA-N 374.416 2.612 0 1 FFAF CCOc1ccc(CCN(CCO)[C@@H]2CCCC[C@@H]2O)cc1OCC 261304926 IJYNVBGHMBDWGD-MSOLQXFVSA-N 351.487 2.624 0 1 FFAF O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1162183 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O=C1NC(=O)[C@@H]2c3c[nH]c4cccc(c34)Oc3[nH]c4cc(O)ccc4c3[C@@H]12 2356722981 VLBHCPDDRYCSDJ-WBVHZDCISA-N 359.341 2.984 0 1 FFAF N[C@H](Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1)C(=O)O 70718949 XLORGUWSSAQWLO-QGZVFWFLSA-N 371.414 2.562 0 1 FFAF CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 82224270 CTZIIJXEMAQFOC-HNNXBMFYSA-N 360.433 2.792 0 1 FFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@H](c2ccccc2)C1=O 40810482 UPFMWWOGIXICKQ-WSTZPKSXSA-N 371.525 2.772 0 1 FFAF O=C(O)CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 40977468 JVJHQJJIFHNNGH-UHFFFAOYSA-N 351.362 2.625 0 1 FFAF COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587609579 NXJXYRRGACQCQK-LPHOPBHVSA-N 356.374 2.918 0 1 FFAF N=c1[nH]ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587003700 WNCUXCLEPPWZRC-UHFFFAOYSA-N 357.215 2.725 0 1 FFAF COc1ccc(Br)c2c1Cc1cc3c(O)nc(O)nc3nc1-2 587365498 DEZVHRGIVUQZEX-UHFFFAOYSA-N 360.167 2.778 0 1 FFAF CN(C)CCOc1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154755 GMVSBKZNMIQCGS-FOIQADDNSA-N 354.429 2.984 0 1 FFAF Oc1ccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCOCC2)cc1 586913882 SBIAMFXREWXJKP-UHFFFAOYSA-N 350.378 2.947 0 1 FFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(N)=O)cc1)CC2=O 587470904 PCOXYDGIXIVYTE-GOSISDBHSA-N 355.390 2.915 0 1 FFAF O=C1c2ccccc2-c2cc(CN3C(=O)CCC3=O)nc3ccc(O)c1c23 586988205 MWRYYRZWHDLEKH-UHFFFAOYSA-N 358.353 2.801 0 1 FFAF COC(=O)c1cccc2c1CC[C@@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963021405 GVICCBNHBKSREZ-MCMMXHMISA-N 362.429 2.716 0 1 FFAF O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)O1 13558360 XYXGDUIBPDKZQY-RHSMWYFYSA-N 363.460 2.742 0 1 FFAF O=S(=O)(N[C@@H]1CCc2ccccc2C1)c1ccc2c(c1)CN[C@H](CF)C2 13581923 SNXPPNROWQROND-MOPGFXCFSA-N 374.481 2.506 0 1 FFAF CC(=O)N1CC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167382927 FZGRHHSSRINYHI-IBGZPJMESA-N 366.421 2.629 0 1 FFAF Cc1ccc2c(c1)nc1n2[C@H](CNC(=O)COc2ccccc2)COC1 2356299244 CLADDTQKTMCKQS-OAHLLOKOSA-N 351.406 2.611 0 1 FFAF CCNC(=O)Nc1nc2cc(-c3ccc(N)nc3)cc(-c3ncccn3)c2[nH]1 102265300 AWMVEUSHEKMMCW-UHFFFAOYSA-N 374.408 2.806 0 1 FFAF c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(-c2cn[nH]c2)n1 114773216 NGKZEHUBRCMYIH-UHFFFAOYSA-N 362.393 2.968 0 1 FFAF O=C1[C@H]2CCCN2C(=O)N1CCCCCNC[C@@H]1CCc2ccccc2O1 73277206 ZWHWNKJCWDLNRI-ZWKOTPCHSA-N 371.481 2.567 0 1 FFAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O 35942506 SCACHXWSWJBIHG-UKRRQHHQSA-N 369.473 2.986 0 1 FFAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)COCc2ccccc2)cn1 74387764 DCTFIHRCURXIRJ-UHFFFAOYSA-N 372.469 2.690 0 3 FFAF CC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1Br 40891819 VRJBEDSEECBGEL-UHFFFAOYSA-N 363.259 2.928 0 1 FFAF CCNc1nc(NCCCn2ccnc2)nc2cc(OC)c(OC)cc12 82131835 BXOSYTDMCYJGJV-UHFFFAOYSA-N 356.430 2.778 0 1 FFAF O=C(O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95584488 WSIYNWLKUZHEOF-UHFFFAOYSA-N 374.356 2.938 0 1 FFAF COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2OC)ccc1O 238738256 NOULHEAGJYQCHF-MJGOQNOKSA-N 356.330 2.992 0 1 FFAF CC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]21 25425520 CVRIVDAUUGHHAY-ZWKOTPCHSA-N 365.389 2.525 0 1 FFAF biogenic C=CS(=O)(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 618020272 WEDRHVKNVPDBNY-UHFFFAOYSA-N 364.389 2.613 0 1 FFAF CCOC(=O)[C@@H]1CCCN(CCC(=O)N2C(=O)CCC23CCCCC3)C1 653762732 CXXJEQHEDYBGIW-MRXNPFEDSA-N 364.486 2.504 0 1 FFAF Fc1ccc2c(c1)-c1cc(n(-c3ncc(F)c(N4CCOCC4)n3)n1)O2 587873994 RQGCJGUWIUBDEJ-UHFFFAOYSA-N 357.320 2.550 0 1 FFAF Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@H]1C[C@@H]1CO 584905174 CJDCZVBFZVDWJU-ABAIWWIYSA-N 360.410 2.878 0 1 FFAF in-vitro CC1=C(c2ccc3nc([C@@H](C)n4cc(Cl)cn4)[nH]c3c2)NNC(=O)C1 587082792 WQCYRCCRLWEWOO-SNVBAGLBSA-N 356.817 2.778 0 1 FFAF Cc1ccnn1CCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924007 YJDGKLRNWZBAHH-UHFFFAOYSA-N 362.480 2.929 0 1 FFAF COc1cc2c3c(c1)O[C@]1(C[C@@]4(C(N)=O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587431836 HXCAQOJARHWDMX-MXTMVPOJSA-N 355.434 2.883 0 1 FFAF CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 5954489 GFEUNVMURRUASI-YDBSYXHISA-N 354.450 2.961 0 1 FFAF CCOP(=O)(CCCCn1cc(Cn2ccccc2=O)nn1)OCC 103279813 MKZSJBBJTADYJJ-UHFFFAOYSA-N 368.374 2.534 0 1 FFAF O=C(NCCc1cc(=O)[nH]cn1)c1sc2cccc(F)c2c1Cl 23478800 DZJNTHDAFPJWQI-UHFFFAOYSA-N 351.790 2.750 0 1 FFAF CCOC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 26380642 XBVSBRYDVKCWPK-UHFFFAOYSA-N 372.377 2.873 0 1 FFAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccccc2F)Oc2ccccc21 2356589539 JBFVJHSWWGWLJS-QFBILLFUSA-N 370.424 2.841 0 1 FFAF COc1ccc(C(=O)N[C@@H]2CN(CC3CCCCC3)CCC[C@@H]2O)cc1 2356828866 ILVKZXWWVPBIDB-UXHICEINSA-N 360.498 2.831 0 1 FFAF CCOC(=O)c1cccc(Nc2nc(N)n(C(=O)c3ccccc3F)n2)c1 64559470 XUADBUYNWROMGU-UHFFFAOYSA-N 369.356 2.608 0 1 FFAF COC(=O)[C@H]1[C@H]2C[C@H]3c4c(c5ccccc5n4C)CCN3C[C@H]2CC[C@H]1O 504581643 WJFAYJMSIIWXBX-WFKPPMRMSA-N 368.477 2.658 0 1 FFAF biogenic Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12 73221681 XVPZIZMCZVRQNF-UHFFFAOYSA-N 359.393 2.949 0 1 FFAF COc1cc(N)c2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 219796813 MOFZFRDMVCVTNZ-ZDUSSCGKSA-N 356.422 2.752 0 1 FFAF CCCc1cc(OC)c(O)c(C(=O)NC[C@H]2CCCN2CC)c1OC 34343079 DLPRWZRVRSUBEK-CQSZACIVSA-N 350.459 2.576 0 1 FFAF O=C1NCC2(CNC2)c2[nH]c3c(c21)CCc1cnc(-c2ccccc2F)cc1-3 72108128 QMNKSAQTHXFFCG-UHFFFAOYSA-N 374.419 2.566 0 1 FFAF NC(=O)C12CC3C[C@@H](C1)C(N1CC[C@H](Cc4ccccc4)C1=O)[C@H](C3)C2 36286407 GRPWDRHUGPCUBI-LCWGPSMESA-N 352.478 2.758 0 1 FFAF COCCNc1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40913619 KPAYJFLMBSTEAN-UHFFFAOYSA-N 369.473 2.544 0 1 FFAF CSc1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 84670380 YFSZGWVRIQQFOB-UHFFFAOYSA-N 353.425 2.635 0 1 FFAF CCC(=O)N(Cc1cccc(OC)c1)c1cc(F)cc(-c2nnn[nH]2)c1 84712410 BBDSQBYQDMNAJL-UHFFFAOYSA-N 355.373 2.958 0 1 FFAF CCCCNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(=O)c1ccccc1 199243499 SODDILARJPTKRR-SFHVURJKSA-N 352.434 2.893 0 3 FFAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccc(F)cc1 199214043 YMGGKJJWVUFFTA-HXUWFJFHSA-N 365.412 2.898 0 3 FFAF Nc1nc(CSc2ccccc2)nc2c1nnn2C[C@H]1CCCCO1 84688763 KQMKVTQGWRJHQS-GFCCVEGCSA-N 356.455 2.665 0 1 FFAF O=C1C[C@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 40862136 GQRXUEXACDINRE-AWEZNQCLSA-N 356.397 2.622 0 1 FFAF NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncc3ccnc-3[nH]2)cn1 653849058 DIORUIRIBIFPEM-OAHLLOKOSA-N 353.430 2.846 0 1 FFAF O=C(NCCc1nc2cc(C(=O)O)c(F)cc2[nH]1)OCc1ccccc1 587228326 OBDVQUCPZNXICI-UHFFFAOYSA-N 357.341 2.869 0 1 FFAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C 586933947 ZUQCPWCAWOQUFJ-HNNXBMFYSA-N 369.487 2.997 0 1 FFAF CCCc1c(O)ccc2c1O[C@@]1(CCCn3nc(C(=O)O)cc31)CC2=O 587485930 SDOYTEJCLMVXSV-IBGZPJMESA-N 356.378 2.894 0 1 FFAF Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 587745459 JSEKHWCNOOESPJ-JKYUHCHBSA-N 351.223 2.723 0 1 FFAF COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@@H]32)cc(OC)c1OC 5699799 UYANHVOBUOWDLZ-VNQPRFMTSA-N 362.470 2.563 0 1 FFAF N=C(N)Nc1ccc([C@@H]2CC/C(=C\I)OC2=O)cc1 13651062 CGPGVVPPKRKSTH-HUYFXPKMSA-N 371.178 2.689 0 1 FFAF COc1ccc(C[C@H](N=O)C(=O)NCCSC)cc1Br 169727943 BJRSTBYHGUJTNG-NSHDSACASA-N 361.261 2.614 0 1 FFAF COC(=O)c1cc2c(OC[C@H](N)Cc3ccccc3)ccc(OC)c2n1C 103224960 VTLYZHJVNBGNAZ-OAHLLOKOSA-N 368.433 2.922 0 1 FFAF Cc1cccc(-n2ccnc2CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 20201715 OXIBARUOZWKJQP-NRFANRHFSA-N 368.525 2.992 0 3 FFAF COc1cccc([C@@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)c1 73198125 LXWIQAQEDNMEBO-IBGZPJMESA-N 354.362 2.706 0 1 FFAF C[C@@]12C(=O)N(Cc3cccs3)CC(=O)N1CCc1c2[nH]c2ccccc12 2111053 WQDAKQMFDOJUHP-HXUWFJFHSA-N 365.458 2.872 0 1 FFAF biogenic CC(=O)NCCn1c(CC(C)C)nc2c(NCc3ccccc3)ncnc21 82178558 XXDAIBZMPQHNBM-UHFFFAOYSA-N 366.469 2.773 0 1 FFAF C[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C)C1 141965338 ZXENUOPVCDPWKD-SECBINFHSA-N 357.237 2.715 0 1 FFAF Cc1cccc(CCc2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)c1 149407552 XXKXSECDGZWWRS-JOCHJYFZSA-N 364.445 2.729 0 1 FFAF CS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1 230509532 TVEZMOFHBJTSJU-UHFFFAOYSA-N 365.418 2.938 0 1 FFAF O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2 238758688 NKMRIFKDNNKEFL-JAUPQWLUSA-N 354.358 2.735 0 1 FFAF CC[C@]12C=CC(=O)N3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 86039200 GQTPVPFEACGBJK-QHAWAJNXSA-N 350.418 2.748 0 1 FFAF biogenic CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cc2)cc1 299839691 SIHGQXZVZBAKAC-UHFFFAOYSA-N 373.356 2.969 0 1 FFAF COc1cccc(CN2C[C@H]3COC[C@@]3(COCc3ccncc3)C2)c1 299843762 XSVBCXGPJRSHRE-FPOVZHCZSA-N 354.450 2.755 0 1 FFAF CC[C@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587759710 MEKXGKRXXJBALW-VFZGTOFNSA-N 353.239 2.905 0 1 FFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccnc(Br)c2[nH]1 587094178 LSFXCFBLPUSYDL-RXMQYKEDSA-N 351.126 2.850 0 1 FFAF O=C(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cc2c(s1)CCC2 587034216 DKYJZNDRWJCIPZ-UHFFFAOYSA-N 367.356 2.804 0 1 FFAF COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2C[C@H]1C(=O)O 587212901 SCGCFERTXMRLDD-LXIYXOSZSA-N 366.417 2.590 0 1 FFAF O=S(=O)(O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157950 QMHGSLQPEPVNNR-UHFFFAOYSA-N 372.175 2.773 0 1 FFAF COC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587728 HLOAODISEKNVAD-KBXCAEBGSA-N 366.329 2.605 0 1 FFAF COc1ccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1CO 963029071 MWCRLZVBZGQDRG-LRTDBIEQSA-N 352.434 2.504 0 1 FFAF O=S(=O)(c1cccnc1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 11821694 OGGYXWUOVKOCMY-ZDUSSCGKSA-N 353.394 2.625 0 3 FFAF N=C(N)c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F 13444369 YLUBBMAMBPRAKF-JTQLQIEISA-N 370.384 2.916 0 1 FFAF NC(=O)c1cc([C@@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 169334897 KAJMGOVCKGGONI-BMIGLBTASA-N 367.371 2.918 0 1 FFAF CN(C)CCCOc1ccc(-c2n[nH]c3ccc(-c4nnn[nH]4)cc23)cc1 167656981 MCKLIRMMKYCDQA-UHFFFAOYSA-N 363.425 2.741 0 1 FFAF