smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CSC(=S)N1CCCCC1)Nc1nc2c(s1)CCCC2 1632344 HZICTKBQMOJVKO-UHFFFAOYSA-N 355.554 3.464 0 1 FGAF CO[C@@]12C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]3CCCC(=C31)C(=O)O2 6031448 JEVGBBFQRUXXBJ-DGTZSPGXSA-N 358.390 3.290 0 1 FGAF CCNC(=O)[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 61927459 ZFSXVLJIWJJACY-MRXNPFEDSA-N 355.438 3.028 0 3 FGAF COc1cc([C@H](OC(=O)c2ccc3c(c2)OCO3)[C@@H](C)[C@H](C)O)ccc1O 2356618463 UZPAQQKUESDTHD-SYTFOFBDSA-N 374.389 3.045 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(CO1)[C@@H]2CCC1=CCOC1=O 26578802 DQWMVEAMMROUQY-LPKWFMKBSA-N 362.466 3.415 0 1 FGAF COc1cc(-c2ccc3ncc(-c4cccnc4)n3n2)cc(OC)c1OC 74386065 WADFVTUBKVTVIF-UHFFFAOYSA-N 362.389 3.484 0 1 FGAF COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc(OC)c1OC 40423918 FQCMIMYFHWLFTJ-UHFFFAOYSA-N 364.401 3.234 0 1 FGAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CN)CC3=O 45283669 HDGSIJRYKZMEHD-LBPRGKRZSA-N 369.417 3.222 0 1 FGAF COc1cc2nc(NCCCCCO)nc(NCC(C)C)c2cc1OC 82136712 VITXELZNOYVXCE-UHFFFAOYSA-N 362.474 3.289 0 1 FGAF CCCc1c(Sc2ccc(OC)c(OC)c2)[nH]c2nc(N)nc(N)c12 40918454 CSCHNUJFQPALMJ-UHFFFAOYSA-N 359.455 3.243 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cccc(CN3CCCC3)c1)O2 40404764 JQQLVJYCQBTIHJ-OAQYLSRUSA-N 367.445 3.486 0 1 FGAF Cc1nc2cccnc2n2c(-c3cc(OC[C@H](C)O)ccc3Cl)nnc12 145709306 VOEFMCIEHPUNPS-JTQLQIEISA-N 369.812 3.061 0 1 FGAF COC(=O)c1nn(C(=O)c2ccsc2)c2ccc(Br)cc12 96273879 SZCWZRFAUIFTMJ-UHFFFAOYSA-N 365.208 3.335 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@H](O)[C@@]52C)[C@H]63)CC[C@@H]41 238748128 FZPHLBWCEDTNMR-DQRUQYNMSA-N 371.521 3.003 0 1 FGAF C=CC(=O)Nc1ccccc1-c1nc(N=c2cc[nH][nH]2)c2ccccc2n1 473086090 ARXFXYZAYWAJKH-UHFFFAOYSA-N 356.389 3.310 0 1 FGAF O=C([C@H](c1ccccc1)S(=O)(=O)O)N1CCC(Cc2ccccc2)CC1 653704163 DPVVWJQMAIBEJV-IBGZPJMESA-N 373.474 3.097 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(c4ccccc4OC)C1)[C@@H](C2)C3=O 587434546 AOFXDGJTJPKXJW-BTYIYWSLSA-N 351.402 3.100 0 1 FGAF COc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587237547 SRVQKGSUHLPDIN-UHFFFAOYSA-N 361.442 3.226 0 1 FGAF Oc1nccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001785 HAPNITSIHZVLOM-UHFFFAOYSA-N 358.199 3.018 0 1 FGAF O=C1CCc2cc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3cc2N1 587171597 PPQMAYCMPWCZSK-UHFFFAOYSA-N 353.353 3.044 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587259277 IEUGOPWKPYFFOJ-ZDUSSCGKSA-N 373.844 3.318 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c4nsnc14)[C@@H](C2)C3=O 587450173 FMGKNLKVJFXZDK-HXPMCKFVSA-N 367.430 3.255 0 1 FGAF CC(C)(CC(=O)O)Cc1nc2cccc(I)c2[nH]1 587956322 WYNAZCPXVIKNNC-UHFFFAOYSA-N 358.179 3.211 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 587108257 YMFHBXUJIMTZGC-PYDSDUHUSA-N 370.408 3.149 0 1 FGAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084166 IJJJMHQIJOMNNW-UHFFFAOYSA-N 371.249 3.182 0 1 FGAF CC(C)Cc1ccc([C@@]2(C3CCNCC3)c3nn(C)cc3CCN2C)cc1 963954100 GRZAFSFELGVFCN-HSZRJFAPSA-N 366.553 3.350 0 1 FGAF CC(C)C(=O)CC[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962645164 VCZQWLCZAMAWAQ-SJKOYZFVSA-N 373.371 3.405 0 1 FGAF O=C(O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1 146659910 ITIAJFABKUNVBR-UHFFFAOYSA-N 374.194 3.307 0 1 FGAF CC1=CC(=O)N(Nc2nc(-c3ccco3)nc3sc(C)c(C)c23)C1=O 1772614298 QBHLSUUVKJJDTA-UHFFFAOYSA-N 354.391 3.210 0 1 FGAF COc1cc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2C)ccc1O 13400223 KVBURIUCHVKRJG-DYZYQPBXSA-N 370.357 3.417 0 1 FGAF biogenic,in-vitro COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1O 13608683 LVVFFHGHABONDD-MRXNPFEDSA-N 359.378 3.292 0 1 FGAF CSc1nc(S[C@H](C(N)=O)C(C)C)nc2c1cnn2-c1ccccc1 13759702 NBIZBWLHOOZRHY-ZDUSSCGKSA-N 373.507 3.139 0 1 FGAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1 16040880 GZVNBNQJDZHRCV-GOSISDBHSA-N 351.406 3.382 0 1 FGAF biogenic Cc1cc(N)nc(CCc2cccc([C@H](O)Cc3cc(C)cc(N)n3)c2)c1 169333436 UYRPOLYEPACPCW-HXUWFJFHSA-N 362.477 3.319 0 1 FGAF CCCCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O 209697836 LAXPWGVONMIRGI-QGZVFWFLSA-N 370.449 3.203 0 1 FGAF Cn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)n1 1857766112 POEQUYMALBCRLE-UHFFFAOYSA-N 353.222 3.416 0 1 FGAF c1ccc2c(c1)OC[C@@H](CSc1n[nH]c3c4ccccc4nc-3n1)O2 103637711 LRVRNJOEAAORBA-NSHDSACASA-N 350.403 3.390 0 1 FGAF CCCC[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29464576 NHAKCBNDIGPYRC-MMDQIQEBSA-N 355.478 3.350 0 1 FGAF CC=C1[C@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13 2356677486 QZOWXKDNCYWNHV-YLBNWIERSA-N 368.477 3.208 0 1 FGAF COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@@]45CC[C@@]12[C@@H](C5)C(=O)C3 2356774234 SYRCRIJPTTXYFS-KPQYALRZSA-N 364.445 3.037 0 1 FGAF COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@@H](C)C2=O 14447716 NDCKQHZMIZHJRH-SMDDFHAHSA-N 370.401 3.137 0 1 FGAF biogenic C=CCCCCCCCCCC[C@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 13910506 ALOMKPFWZVIIET-RDTXWAMCSA-N 358.431 3.065 0 1 FGAF biogenic CCCN1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 45347399 OZRUDBBLRGELJB-FQEVSTJZSA-N 352.434 3.498 0 1 FGAF Cc1cc(OCc2nnc(SC3CC3)n2-c2cccnc2)ccc1CN 621485601 AFVNBLNVGRJXSR-UHFFFAOYSA-N 367.478 3.263 0 1 FGAF Oc1nc2sccc2c(N2CCOCC2)c1-c1nc2ccccc2[nH]1 299831751 REAARKJSKYURDJ-UHFFFAOYSA-N 352.419 3.382 0 1 FGAF COc1cc(CN(C)[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc(OC)c1OC 299845768 ZFZXJOHWFSRUAO-KIRHDFQKSA-N 355.478 3.291 0 1 FGAF CC[C@@H](C(=O)O)n1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587556644 BYZMHCAIWXFTFH-AWEZNQCLSA-N 364.361 3.093 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cnc(OC)c1OC)[C@@H](C2)C3=O 587422390 PJWFNTWQLFXCAD-QFYYESIMSA-N 361.781 3.250 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586938120 VBOXBSHXELHGTE-JTQLQIEISA-N 364.858 3.355 0 1 FGAF COc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccc1OCC(=O)NC(C)C 587220235 FTXQHTPOZWWAGO-UHFFFAOYSA-N 374.828 3.190 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cnccn23)N1 587773055 HOBNJMDKMFKAFA-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC1 587952926 YARHXIACENDGNP-HSBZDZAISA-N 366.483 3.044 0 1 FGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(O)c2[nH]1 587093359 CSMJEYRFNBHNEC-YFKPBYRVSA-N 366.137 3.161 0 1 FGAF N[C@H]1CC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587245960 ACZWTCVXPPODIR-BQBZGAKWSA-N 350.138 3.429 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)cnc1N)[C@@H](C2)C3=O 587420343 FUBQSNYRLAAVLV-ZUZCIYMTSA-N 350.296 3.180 0 1 FGAF COc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 12763430 SGBBRFVSBJOQPA-IBGZPJMESA-N 372.509 3.173 0 3 FGAF c1ccc(-c2nnc3c4ccccc4c(OCc4cnccn4)nn23)cc1 13559991 OLKUNPKISSHQBO-UHFFFAOYSA-N 354.373 3.314 0 1 FGAF c1ccc2c(c1)OC[C@H](CN1CCN(c3cccc4ccoc34)CC1)O2 13738311 PZUUOYODGXEKIF-KRWDZBQOSA-N 350.418 3.395 0 1 FGAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1)C(F)(F)F 13760208 LNTIYGUDDGCZHR-MRXNPFEDSA-N 355.287 3.309 0 1 FGAF O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)C(F)(F)F)C1CC1 1365931 MUUQCTRJVGTFKT-CQSZACIVSA-N 358.360 3.323 0 3 FGAF Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)C(C)(C)C)c2=O)c1 2466762 WFPMTQZCJHBGNH-UHFFFAOYSA-N 370.474 3.446 0 1 FGAF CCc1c(C)sc(NC(=O)c2cc3ccccc3c(=O)o2)c1C(N)=O 2503176 GNXHPVSFURSXHQ-UHFFFAOYSA-N 356.403 3.077 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@@H](C)CCC[C@@H]2C1 3597510 IDNZRSXQOGDYGG-YNEHKIRRSA-N 351.878 3.066 0 1 FGAF COc1ccc(Br)cc1CNC(=O)c1cc2ccccn2n1 8600097 ZGJMNWNWYYELAP-UHFFFAOYSA-N 360.211 3.035 0 1 FGAF CCNC(=O)N1CC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 28896485 JOEVFNUJASIMNC-UHFFFAOYSA-N 370.844 3.104 0 1 FGAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100276053 RDDSSNCMUUKINF-SJORKVTESA-N 365.410 3.493 0 1 FGAF O=C1c2ccccc2[C@](O)(c2ccc(F)cc2)C2=NC3(CCCC3)CN12 27077661 MYIGLGUZQFHOHW-OAQYLSRUSA-N 350.393 3.242 0 1 FGAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1 61926251 WOSBZKCJWGKNSZ-OAQYLSRUSA-N 367.449 3.395 0 3 FGAF CC=C1CN2C[C@H]3c4c([nH]c5ccc(OC)cc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356696562 FXRTWGGDNHIYAH-ZSFPCNDZSA-N 352.434 3.386 0 1 FGAF C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 66258849 CFQZFXWCFBDZIK-DOMZBBRYSA-N 355.467 3.006 0 1 FGAF CC1=CC[C@H](O)C(C)(C)[C@H]1CC=C(CC(=O)c1cc(O)ccc1O)C(=O)O 2356841703 MGRJEAWMLFNPRE-LPHOPBHVSA-N 374.433 3.425 0 1 FGAF O=C(Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1)[C@H]1CCCN1 2130483 QMLZTDGIQCQRJN-QGZVFWFLSA-N 353.349 3.257 0 1 FGAF biogenic Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 218795352 WXTKQYNUESPTFK-SNVBAGLBSA-N 357.414 3.066 0 1 FGAF CCc1nc(C(=O)N[C@@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 82070021 JISKKDAZYJVIID-QGZVFWFLSA-N 363.527 3.467 0 1 FGAF O=C(O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143446868 NLQXHLJZRXJXNN-GOSISDBHSA-N 374.318 3.413 0 1 FGAF COc1cc2c(cc1Br)[nH]c1c(C3=C[C@@H](OC)CN3)nccc12 238760856 LNQYZIKAFFMNLV-SECBINFHSA-N 374.238 3.446 0 1 FGAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232568 LIKGCMDGEVAVQO-KGLIPLIRSA-N 357.479 3.114 0 1 FGAF biogenic Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccccc3)co2)n1 95574889 XGNQOORWHSAYSD-UHFFFAOYSA-N 353.403 3.283 0 1 FGAF Cc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)NCc2ccccc2)cc1 95599577 BPVBOXTVWNZWGT-OAQYLSRUSA-N 368.502 3.146 0 3 FGAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253638927 BNTIEMZWVNNNAF-VJANTYMQSA-N 356.466 3.309 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(C)C)c2ccccc21 587402068 WZXWUJZMFAISQY-OAQYLSRUSA-N 350.418 3.441 0 1 FGAF Cc1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1C 587921492 ZRHNQRJVSDENLF-UHFFFAOYSA-N 364.474 3.425 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587202201 GOCZJDGTJARCSR-LBPRGKRZSA-N 374.784 3.054 0 1 FGAF COc1cc2c3c(c1)O[C@@](C[C@H](C)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446644 CTPHVZFOKCNBER-SAZGQGMLSA-N 352.386 3.449 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043091 YATHDWJKBNMJDB-QZTJIDSGSA-N 366.490 3.211 0 1 FGAF Oc1nc(O)c2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2n1 587095425 YKBWXGWIRXDZNT-UHFFFAOYSA-N 364.205 3.469 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCC(=O)CC1 587234360 KGYHVYIVPPDKLD-UHFFFAOYSA-N 369.425 3.302 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C1=NS(=O)(=O)c2ccccc21 587871813 CBIHPIJHCLWGRK-UHFFFAOYSA-N 371.393 3.085 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587231528 PBKNSYIAZQOXPS-VHSXEESVSA-N 355.360 3.017 0 1 FGAF Brc1ccc([C@H](c2nc3cncnc3[nH]2)N2CCCC2)cc1 586985348 UULBWSQHDFVLKZ-CQSZACIVSA-N 358.243 3.301 0 1 FGAF CC(C)CN1C(=O)[C@@]2(NCCc3ccc(O)cc32)c2cc(Cl)ccc21 963328127 CDXOFLQJZXLILQ-FQEVSTJZSA-N 356.853 3.438 0 1 FGAF COc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 14968519 BTROHMUXWYCPAN-UHFFFAOYSA-N 354.250 3.468 0 1 FGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1c(C)noc1CC 169712568 NAVYPUKXFWOZSU-DOTOQJQBSA-N 362.426 3.120 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccc(F)cc2)nn1 203462318 PPUZTDUYYHTTRZ-UHFFFAOYSA-N 354.385 3.234 0 3 FGAF COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)NC2CC2)cc1OC 1857655279 BNRMMUDRCWPRJF-UHFFFAOYSA-N 367.327 3.072 0 1 FGAF CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2c1=O 103739918 YPRZFVCGNLNRSS-UHFFFAOYSA-N 367.449 3.401 0 3 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@@H]1c1cc(OC)ccc1OC 101934622 RUPNDQNZLDGKRC-IBOXJLQUSA-N 358.398 3.105 0 1 FGAF COc1ccc([C@H]2NC(=N)NC(c3ccc(C)cc3)=C2CC(=O)O)cc1 103262476 GYSQWKCKIPBCDM-LJQANCHMSA-N 351.406 3.058 0 1 FGAF Cc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(CC2CCCC2)n1 101550384 WYGCEDXALOACTP-UPIPTCTNSA-N 369.509 3.187 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CCC2)[C@H](C4)[C@@H]3[C@H]1C 101191731 HWXCULOUOMXWMG-ONIVQRGHSA-N 367.489 3.293 0 1 FGAF O=c1c(NCCC2CCCCC2)c(Nc2ccc3nnsc3c2)c1=O 101662823 LUBLRFOOZPRUAW-UHFFFAOYSA-N 356.451 3.413 0 1 FGAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc2N1CC1CC1 2356299553 KUUJBLQWPDOKNX-PKOBYXMFSA-N 362.429 3.105 0 1 FGAF CC(C)[C@@H](C(=O)NC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 28565041 IUEIGJIEOCJXOR-CYBMUJFWSA-N 353.850 3.414 0 1 FGAF COC(=O)[C@@H]1CC2=C3C=C[C@H]4C(=O)N(C[C@H]4C)C[C@@H]3CCC3=C2[C@H]1CC3 2356559411 ASXMVBHXTSDEQQ-MRFABTIASA-N 353.462 3.257 0 1 FGAF CC(C)n1cnc2c(N(C)c3cccc(Cl)c3)nc(NCCO)nc21 38824612 BMUXNLKQMJEFGS-UHFFFAOYSA-N 360.849 3.233 0 1 FGAF COc1cc([C@@H]2Oc3cc(C=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 15211457 QXUIUNFQZDLKHB-ADLMAVQZSA-N 374.389 3.435 0 1 FGAF biogenic CC(C)CCN1c2nc(Nc3ccc(O)cc3)ncc2N(C)C(=O)[C@@H]1C 1911582736 SYAVITDEMCFFQU-ZDUSSCGKSA-N 355.442 3.143 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 14441457 BURBOJZOZGMMQF-WZBLMQSHSA-N 356.374 3.205 0 1 FGAF biogenic CC(=O)NC[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45370943 ZNNRUQNYKOFUES-MRXNPFEDSA-N 353.447 3.442 0 1 FGAF COc1cc(C(=O)n2ccc3cc(CN(C)C)ccc32)cc(OC)c1OC 40919181 CFSOFNGQPZCHDN-UHFFFAOYSA-N 368.433 3.417 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(F)c1C)C2 225958529 RRJIHTIRVLVRFM-NSHDSACASA-N 365.412 3.210 0 1 FGAF C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 137614831 FAFFALJLKNGYLA-HFCIANAQSA-N 362.510 3.148 0 1 FGAF N=C1S/C(=C\c2c[nH]nc2-c2ccccc2F)C(=O)N1c1nncs1 40402800 ITCKOHCGEGGETA-USTFFRMGSA-N 372.410 3.123 0 1 FGAF C[C@](O)(CBr)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 148822792 KOXFWIPIAAWSEV-JTQLQIEISA-N 360.557 3.443 0 1 FGAF COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1OC 238782302 MSVSQZKROKIANT-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF C[C@]1(c2ccc(O)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346000 KTBWJSVQLGLNNV-AZUAARDMSA-N 366.348 3.301 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795237 IDQUPLKBJUGBQB-FVMDXXJSSA-N 356.235 3.291 0 1 FGAF COC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)CC1 587631658 GKJCMJMRXXVRHX-UHFFFAOYSA-N 352.793 3.294 0 1 FGAF CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586901510 REGBNAVHQNRYGJ-JTQLQIEISA-N 367.165 3.396 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(C)cc32)N1 587761761 VTEMCMLQWBYTPT-BTDLBPIBSA-N 364.262 3.436 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)O 587829075 VUDUDLWDINMVOO-RLJVQMDZSA-N 366.230 3.224 0 1 FGAF COC(=O)c1cc([C@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)c[nH]1 963341133 LCCJWDGSSDZPTH-NRFANRHFSA-N 366.392 3.084 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)CNC(=O)OC(C)(C)C 963029344 CIPAKCOQXPKDGM-HXUWFJFHSA-N 357.454 3.129 0 1 FGAF N=C(N)NCCCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1772623224 AULZTXFRTXPLHN-UHFFFAOYSA-N 353.514 3.381 0 1 FGAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 12459648 YFHCNIXNSQDCTN-KRWDZBQOSA-N 371.506 3.196 0 3 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2O[C@@H](CCCCC(=O)O)C[C@H]21 169692161 RJADQDXZYFCVHV-NOJLRPNISA-N 354.487 3.283 0 1 FGAF COc1ccc(N(CC(C)C)C(=O)NCCCn2cncc2C)cc1OC 1857614178 ZZBANAPZZKHBFN-UHFFFAOYSA-N 374.485 3.471 0 1 FGAF C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2 102373844 RECFXVBFQRDZOD-FMCLSXCISA-N 351.830 3.143 0 1 FGAF CN1C(=O)N=C(/N=c2\[nH]c(-c3ccccc3)c(-c3ccccc3)s2)C1=O 28902264 QTDQHYUSKUDZJV-UHFFFAOYSA-N 362.414 3.301 0 1 FGAF CC(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 23145436 HLNHYEAGIJAZIH-UHFFFAOYSA-N 367.371 3.333 0 1 FGAF CNC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1Cl 66066329 APPKRPXUNINZJS-IBGZPJMESA-N 357.841 3.468 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCc1ccccc1 26948643 LLXBJPLPRPPAGV-QGZVFWFLSA-N 359.466 3.159 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@H](C=C[C@@]12C)[C@]43O 2356631714 LRXSXOUROHJARD-FHCOFAHMSA-N 369.505 3.129 0 1 FGAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)OC)[C@@H](O)C[C@H]1O 2356654103 NVANLIMPYROZFD-VYJAJWGXSA-N 370.530 3.355 0 1 FGAF Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1 142921286 LKNAUMNSHGBEFF-SIKLNZKXSA-N 374.444 3.464 0 1 FGAF CC(=O)O[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@@]3(C)c4cocc4CC[C@H]32)[C@@]1(C)CO 85637528 RXAHIJGRSQAORT-RKYRPXKFSA-N 374.477 3.419 0 1 FGAF biogenic COc1cc(OC)cc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1 299825516 LCOPKCXWBQJHNZ-UHFFFAOYSA-N 370.340 3.073 0 1 FGAF C[C@]1(O)C[C@@](c2ccc(OC(F)(F)F)cc2)([C@@H](O)c2ccccn2)C1 653816311 COMFVLOAIUCJPR-YESZJQIVSA-N 353.340 3.496 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232422 WYEZRHLLEIZPOG-ZJUUUORDSA-N 371.268 3.301 0 1 FGAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)C2 586883552 BYQNPMMKXKISIQ-ULQDDVLXSA-N 351.450 3.034 0 1 FGAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533752 VBBVTVCAGDCJOS-KRWDZBQOSA-N 357.431 3.070 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]nc2ncccc12 587596758 RSTXUBVBHVISQT-HNAYVOBHSA-N 359.341 3.366 0 1 FGAF COc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(Cl)n1 587083664 FJIOUDYWXFCDSS-UHFFFAOYSA-N 357.845 3.039 0 1 FGAF N=c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc2[nH]1 587254259 QIEAKDUDNNUJMH-UHFFFAOYSA-N 358.174 3.487 0 1 FGAF COC(=O)c1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587175580 ZUOCSXOLYRPWFR-IBGZPJMESA-N 354.337 3.117 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCO3 586984295 PQCRHLVNJHVLQJ-LLVKDONJSA-N 360.211 3.297 0 1 FGAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)c1cccc(Br)c1CCN2C 963278857 CTEHYUAMHJZUKZ-APPDUMDISA-N 366.255 3.157 0 1 FGAF COC(=O)c1ccc(O)cc1[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962641693 TZCOTKOJWLOREI-FKIZINRSSA-N 371.433 3.162 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C(F)F)[C@@H]1CCCCC1=O 963630126 BRZIPWLGOVETSE-CENXUZMRSA-N 353.409 3.458 0 1 FGAF C=C1CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C=O)[C@@]2(C)C(=O)O)[C@H]1C(=O)OC 13405022 KFYJZWWYZBXOMJ-IJONRSMUSA-N 350.455 3.474 0 1 FGAF biogenic O=C(O)c1cc(CCNS(=O)(=O)c2ccccc2)c2cccccc1-2 13826261 TWPYYNMRMADJRV-UHFFFAOYSA-N 355.415 3.011 0 1 FGAF COc1ccccc1C1(c2c(OC(C)C)c(=O)c2=O)SCCCS1 1860379 ZXWYPCKHYUODLL-UHFFFAOYSA-N 364.488 3.150 0 1 FGAF COc1ccc2c(c1)OC[C@]21C(=O)N(Cc2ccccn2)c2ccccc21 103200095 QRUWQQJWZOBGEN-JOCHJYFZSA-N 358.397 3.316 0 1 FGAF O=C(c1ccccn1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100105858 FXKSXMUQYOCEFO-ZBYYUNFXSA-N 373.431 3.468 0 1 FGAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(Cl)ccc23)c1 28711522 FTNZDHVMPBZNQR-UHFFFAOYSA-N 362.838 3.370 0 1 FGAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3)CC2)nn1 28655310 BWZBUOKMQZWMNT-UHFFFAOYSA-N 368.481 3.300 0 1 FGAF O=C(Cc1cccs1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356765188 ZZSAERRCOKEFOD-CQSZACIVSA-N 360.410 3.187 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)C(C)(C)C)C2)O1 96019025 IUWSQUGQPQJZFY-UZLBHIALSA-N 352.519 3.221 0 3 FGAF CCn1c(=O)n([C@@H]2CCN(CC3CCCCC3)C[C@H]2CO)c2ccccc21 96902434 CMJSRERWDZNRKI-RBUKOAKNSA-N 371.525 3.259 0 1 FGAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]3C1 253663427 IJNLAPNMNMHBJS-GLQQBBBESA-N 369.505 3.452 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594616 NGFLXURMIKNZSE-RXVVDRJESA-N 367.401 3.125 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccncc3)c(C(=O)C(F)(F)F)c2c1 587648890 IXOBCCFTCNZNOD-UHFFFAOYSA-N 368.336 3.378 0 1 FGAF O=C1C[C@@]2(CS(=O)(=O)c3ccccc32)Oc2c1ccc1c2CCCC1 587534494 ZNBXZPSQIVDWFK-FQEVSTJZSA-N 354.427 3.213 0 1 FGAF O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587600937 BZITYTUFYHFYFH-YWEHRLLKSA-N 350.370 3.482 0 1 FGAF COC(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006178 FAYXQVKTXFYTOU-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586966916 LDEFJKXJUWIOME-UHFFFAOYSA-N 365.317 3.270 0 1 FGAF Cc1cc(C)n(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587579664 FETSVSUPQUWWCU-ZWKOTPCHSA-N 350.374 3.236 0 1 FGAF CN1CC[C@@](C)(O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586987721 DDRSANMOJCEYAW-QMHKHESXSA-N 374.440 3.322 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3CCOCC3)nc1)O2 587393780 MFBOIMVKEHZBLL-GOSISDBHSA-N 354.406 3.237 0 1 FGAF Cc1nccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774804 XXLWBZYPNMZNJR-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccncn4)s1)[C@@H](C2)C3=O 587454704 ZUQPDZFYPIESJV-GTNSWQLSSA-N 351.387 3.097 0 1 FGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1 587244749 LHSUIAGSUQITII-UHFFFAOYSA-N 368.784 3.097 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCOCC1)[C@@H](C2)C3=O 587443257 LVAZIJWHCSHTLY-KKSFZXQISA-N 351.402 3.021 0 1 FGAF CCCCc1nc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Cl)[nH]1 962894302 IMRCOHQCNMFGAC-SMDDNHRTSA-N 351.809 3.233 0 1 FGAF Cc1cc(C(=O)O)nn1Cc1cccc2sc(N3CC=CCC3)nc12 208127498 ITBHEDIUYBDMQP-UHFFFAOYSA-N 354.435 3.314 0 1 FGAF COc1cc(Cc2c(C)nc(N)nc2N)ccc1OCc1ccccc1 13532930 XUXCUUNKVTWVAK-UHFFFAOYSA-N 350.422 3.128 0 1 FGAF CCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641929 XCFCFGDFIJDQNG-AWEZNQCLSA-N 369.240 3.402 0 1 FGAF CC(C)(C)[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCc2ccc(CO)cc2)C1 13657375 QCEBQIDHHTZZEI-QFBILLFUSA-N 359.466 3.267 0 3 FGAF CC1(C)CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729826 HCJGBVOQKBZSBO-OAHLLOKOSA-N 362.857 3.363 0 1 FGAF CNc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857552822 GWNNAXLBTUZVHG-UHFFFAOYSA-N 359.476 3.143 0 1 FGAF c1ccc(-c2c[nH]c(=NCCCN=c3[nH]cc(-c4ccccc4)[nH]3)[nH]2)cc1 1857756234 YPZFTEFDYJOQQC-UHFFFAOYSA-N 358.449 3.225 0 1 FGAF COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccco2)cc1 1381067 BFJARIUJWKGQDG-KRWDZBQOSA-N 355.346 3.096 0 3 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](C[C@@H](O)[C@H]12)C3 103110027 AOAFJPDZCFYCLO-SHMOPJGCSA-N 350.499 3.152 0 1 FGAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@@H](O)C[C@H]1O 2356435050 PJDMFGSFLLCCAO-VYJAJWGXSA-N 368.514 3.131 0 1 FGAF O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648181 OKDFDEMTBGQHLA-NVXWUHKLSA-N 353.422 3.034 0 1 FGAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cccc(Cl)c1 28520505 QIBBYLQIAZIKKE-UHFFFAOYSA-N 360.822 3.350 0 1 FGAF CN1CC[C@H](N2C(=O)CN=C(c3ccccc3F)c3cc(Cl)ccc32)C1 27755381 KEHXHBQNUQZXMX-AWEZNQCLSA-N 371.843 3.367 0 1 FGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)C[C@H](O)CC(=O)O 2356562333 QVYJIEVLAGBEIH-OTWHNJEPSA-N 352.471 3.129 0 1 FGAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC 28572108 ZIGZMEZHXMZEPZ-ZWJPJJENSA-N 356.418 3.271 0 1 FGAF COc1ccc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@@H]2C)cc1OC 13340378 CPAGSSOMSLQZRD-OCBHBYCGSA-N 374.433 3.364 0 1 FGAF biogenic COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1)CSCC3 218325031 KYOYTGGOMCXSQC-INIZCTEOSA-N 367.474 3.458 0 1 FGAF O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccn2)CC1 49111727 KXXXIKKXBFGUQQ-UHFFFAOYSA-N 365.355 3.417 0 1 FGAF CN(CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)O)c1ccccc1 20463502 DOMKWKYHLRXQKF-IRXDYDNUSA-N 370.449 3.359 0 1 FGAF biogenic COCOc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 84705975 STSMSPOAFPZOFC-MRXNPFEDSA-N 366.460 3.351 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@H](C4)[C@@H]3[C@H]1C 40646417 HWXCULOUOMXWMG-YTWQNYLRSA-N 367.489 3.293 0 1 FGAF Nc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(N)n1 95597531 SWWZTVKMVRSWMG-UHFFFAOYSA-N 357.849 3.147 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)ncc-3c2c1 299872718 RAISMWIMTRYFHV-JJRVBVJISA-N 366.465 3.491 0 1 FGAF O=C(O)/C=C1/CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1SO 299853172 GRUGUUKMIXOMMR-IKTMDDPPSA-N 365.426 3.137 0 1 FGAF O=C(C[C@H]1C(=O)Nc2ccccc2[C@@H]2CCCN12)OCc1ccccc1 473128617 CXNGRDVKBQHCLE-OALUTQOASA-N 350.418 3.278 0 1 FGAF C=C(C(=O)O)c1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O 587947019 QIJVGFVOXPVOFM-UHFFFAOYSA-N 374.412 3.048 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN1CCC[C@@H]12 587591910 XJHKZFVLDYIJSQ-LQWHRVPQSA-N 351.402 3.351 0 1 FGAF C[C@@]1(c2c[nH]c(=N)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330555 CAGLJYLASHOCKO-LPHOPBHVSA-N 354.337 3.206 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586964066 UBGYHUWFCOZCJJ-GFCCVEGCSA-N 362.386 3.448 0 1 FGAF COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440661 AIKRSOGAEPQUPX-JKSBSHDWSA-N 364.397 3.074 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3C)N1 587757643 HFJRIEMKZOHVMR-QGHHPUGFSA-N 364.262 3.436 0 1 FGAF Fc1cnc(Cl)c2[nH]c(-c3cncc(I)c3)nc12 587184029 AUQNPLMVUORBGY-UHFFFAOYSA-N 374.544 3.417 0 1 FGAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439465 UJQIATJXDQHZEA-IUSZMWJPSA-N 357.450 3.383 0 1 FGAF CC(C)CCOc1cc2nc(COCCN)[nH]c2cc1Br 587245832 ZITCVCOWQXJCSD-UHFFFAOYSA-N 356.264 3.226 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ncc[nH]c-3n1)N2 587031525 OHUSGRRYBCOSDA-ZFZMKPAXSA-N 372.479 3.431 0 1 FGAF N=C(N)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043150 PLRRNOWNXQPHDM-AWEZNQCLSA-N 371.853 3.156 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587234297 YYSLZCAHGVNQSP-WDEREUQCSA-N 372.425 3.055 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(F)cc4c1=O)[C@@H](C2)C3=O 587428945 REFDXACOSDHQTR-RNODOKPDSA-N 352.317 3.429 0 1 FGAF Cc1nc2[nH]c(CSc3nnc(S)s3)nc2cc1Br 587025353 LUYKVEIKYFMKKE-UHFFFAOYSA-N 374.314 3.461 0 1 FGAF COC(=O)c1cc([C@H]2NCCc3cc4cccc(OC)c4nc32)cs1 963051796 ZHWFCEPWYOZNDB-QGZVFWFLSA-N 354.431 3.327 0 1 FGAF COc1c2c(cc3occc13)OC(C)=C[C@@]21N[C@H]2Cc3c1ccnc3C2=O 963289970 SLDSKYZUSDKYMB-QKKBWIMNSA-N 360.369 3.087 0 1 FGAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1cccc(Cl)c1)N1CCCC[C@@H]13 1772643605 LPFBCSODRHOXCX-ODZKNYGOSA-N 357.837 3.162 0 1 FGAF COc1ccc(CCNc2cc(Cc3ccccc3)nc3ncnn23)cc1 1772642912 PEHHHAXXDYDBJT-UHFFFAOYSA-N 359.433 3.378 0 1 FGAF C/C(=C\Cc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 13380854 WTAGIHGECXTWAX-CEDAXXPESA-N 368.385 3.212 0 1 FGAF CC(C)(C)C(=O)OC[C@@]1(CO)CC(=Cc2ccc(Cl)c(F)c2)C(=O)O1 1857624404 AMMIKVRYXNRYLI-SFHVURJKSA-N 370.804 3.130 0 1 FGAF CSc1ncccc1C(=O)OCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 3233131 LBCQHZZBHNPKDB-DJJJIMSYSA-N 362.495 3.388 0 1 FGAF CCOc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](C(=O)c2ccccc2)C(=O)N1 102730704 LVIVJMRIVLLFNL-CEQIKUNHSA-N 351.402 3.297 0 1 FGAF Cc1nc(OC2CCC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247208 ANGVJJZRHLEHBP-OXALQPNKSA-N 362.495 3.052 0 1 FGAF C[C@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559098 ZLWHBJIIEMDIFM-YUTCNCBUSA-N 361.463 3.086 0 1 FGAF CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12 28528324 RQXVUPSTCKJSED-UHFFFAOYSA-N 358.482 3.120 0 1 FGAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cccc(OC(F)(F)F)c1 61905922 HYFGEOGUITXRTM-MRXNPFEDSA-N 358.360 3.106 0 3 FGAF COc1cc(-c2oc3c(C)c(O)c(C)c(O)c3c(=O)c2OC)ccc1O 14641580 UTOJBBXYXTWQDE-UHFFFAOYSA-N 358.346 3.211 0 1 FGAF biogenic CCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224819733 BTNZUGSQNZTTTP-UHFFFAOYSA-N 357.410 3.326 0 1 FGAF O=C(c1cccc(Cn2cnc3ccccc32)c1)N1CC[C@H](N2CCCC2)C1 45365750 BJRWWLOJTDJEIH-FQEVSTJZSA-N 374.488 3.395 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)N(C)CC[C@@]341 194956563 RWBGTUPTUTZUOU-SUUIZWKSSA-N 369.505 3.452 0 1 FGAF CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3ccc(C)cc3nc2Cl)S1 98084827 HVMNZFLPJJLELS-HNNXBMFYSA-N 362.842 3.198 0 1 FGAF O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1nc(Cl)c2ccccc2c1O 95588435 QZRXYSFKUSQNIL-AWEZNQCLSA-N 370.792 3.020 0 1 FGAF Cc1ccccc1N1CCN(CC[C@H](OC(N)=O)c2ccccc2)CC1 95578371 SAFRUOMVORAUIK-FQEVSTJZSA-N 353.466 3.344 0 1 FGAF CCOC(=O)Cc1cc(O)cc2oc(CCCCC[C@H](C)O)cc(=O)c12 43025568 NRXGHYGIYHFZNK-ZDUSSCGKSA-N 362.422 3.088 0 1 FGAF biogenic C[C@@H]1OC(=O)[C@@](CC(=O)c2ccoc2)(c2cccc3c2COC3=O)[C@H]1C 85844382 RQRKBQRRGRWHRG-JOOBJXAISA-N 354.358 3.042 0 1 FGAF biogenic CCNS(=O)(=O)c1ccc(NC2CCCC2)c(NCc2ccncc2)c1 653717555 SHADHHAMQVRIDY-UHFFFAOYSA-N 374.510 3.346 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568638 IAFYVHQIYQNVGV-QAPCUYQASA-N 354.337 3.276 0 1 FGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3ccccc3cc2[nH]1 586959117 OQGZXULDKXIEHH-LJQANCHMSA-N 367.430 3.185 0 1 FGAF Clc1cc(I)cc(-c2nc3ncc[nH]c-3n2)c1 587184205 QEHRZDUWLUWYQJ-UHFFFAOYSA-N 356.554 3.230 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)n2ccnc21 587490922 PZNUJIJFZZHSBV-QFIPXVFZSA-N 374.396 3.452 0 1 FGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(N)ccnc2[nH]1 587198091 GGTQUVOQJHXRSQ-UHFFFAOYSA-N 358.405 3.066 0 1 FGAF O=C(O)c1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1F 586912114 FEMQPCTZGVVOFJ-UHFFFAOYSA-N 356.353 3.202 0 1 FGAF CCOC(=O)COc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398837 FLMGBUYDLGOHGN-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2O)N1 587771572 MMPZGPAJQNASST-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587438721 QCPJPVFSMQLFJG-SZNDQCEHSA-N 369.417 3.480 0 1 FGAF Nc1ccc(-c2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)cc1N 587249799 NITHLTDENUOBQM-UHFFFAOYSA-N 373.416 3.271 0 1 FGAF Cc1nc(C)c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)o1 962659191 DTMOUZTUWXSEMQ-SFTDATJTSA-N 365.433 3.202 0 1 FGAF CC1(C)CNC(=O)C[C@@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962696449 FJGJZQYJXOLOMR-JLTOFOAXSA-N 362.514 3.321 0 1 FGAF Cn1cncc1CNC(=O)c1cccc(-c2cccc(C3CCNCC3)c2)c1 1772627840 MGQQUZJSPHUHPQ-UHFFFAOYSA-N 374.488 3.484 0 1 FGAF CC1(C)C[C@H](O)c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 13383658 LNOUAWTWAHZUJH-ZDUSSCGKSA-N 354.358 3.466 0 1 FGAF biogenic CC1(C)C[C@H](C(=O)NC[C@H]2Cc3cccc(-c4ccncc4)c3O2)CCO1 14882275 IMWGMFCLKRLJIQ-QZTJIDSGSA-N 366.461 3.374 0 1 FGAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 19901267 DHMPJIFRFGHPSP-KRWDZBQOSA-N 358.463 3.415 0 1 FGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccccc2F)n[nH]1 150229892 IXTAMBXLVLCGEZ-LJQANCHMSA-N 366.396 3.129 0 1 FGAF CCN1CCN([C@H](CCc2ccccc2)C(=O)NC2CCCCC2)CC1 169341153 KZOHOEXIFASONT-OAQYLSRUSA-N 357.542 3.074 0 3 FGAF CN(C(=O)N1CCCc2ccc(C=O)nc21)c1ccc(C(F)(F)F)cn1 1857773861 PNDSIKANVDMZGY-UHFFFAOYSA-N 364.327 3.317 0 1 FGAF CC[C@H](C)NC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 8598905 ILOHYLSENRGWPB-AWEZNQCLSA-N 353.422 3.415 0 1 FGAF O[C@@H](c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccccc1Cl 26008611 ANLXICFIPWEMIN-IRXDYDNUSA-N 364.232 3.206 0 1 FGAF CSc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C 100814262 MDZPOCCEFWZVGN-UHFFFAOYSA-N 354.431 3.243 0 1 FGAF COc1cc(C)ccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21 29478263 LXKKWVUFNOOKIM-UHFFFAOYSA-N 365.359 3.276 0 1 FGAF O=C(OCC1=CCN2CC[C@@H](C(=O)Oc3ccccc3)[C@@H]12)c1ccccc1 2356630946 LLISWLUHXODGLO-WOJBJXKFSA-N 363.413 3.080 0 1 FGAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1sc(C)nc1C 2356763850 VBPWYAZDDLZORQ-IRXDYDNUSA-N 365.543 3.113 0 1 FGAF COc1cccc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c1 49109548 AKGYFGPTGCPJOY-UHFFFAOYSA-N 366.804 3.408 0 1 FGAF O=C1Nc2ccc(F)cc2[C@@]12CC(c1ccc(Br)cc1)=NN2 84633931 MQXIUZLBNOJAGS-INIZCTEOSA-N 360.186 3.133 0 1 FGAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(C(N)=O)cc4)cc3)nc2c1 95920500 LDAVGTBIUFWUTM-UHFFFAOYSA-N 355.401 3.280 0 1 FGAF in-vitro CC(C)(C)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 586929747 ICIXJFBWIPLZKA-UHFFFAOYSA-N 357.479 3.293 0 1 FGAF COC(=O)[C@@H]1C=C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587810220 UDROWZPBOCRPIZ-ZXLZKYRFSA-N 354.219 3.067 0 1 FGAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COC(C)=O 587398156 CPEJXQVVFHQISQ-LJQANCHMSA-N 355.390 3.355 0 1 FGAF Cc1cnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 587119496 XCXLZIJKIIEDQL-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443265 NCVFWORUEQCHIC-OIAISFKWSA-N 366.413 3.233 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586983599 FODOVEIRUCBDNC-SWLSCSKDSA-N 374.242 3.292 0 1 FGAF COC(=O)[C@H](N=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586988519 KBEOZZPLYZBQMK-GOSISDBHSA-N 362.341 3.441 0 1 FGAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(N)ncnc3[nH]2)c(F)c1 587145474 XPRMFLKOQWVFDE-UHFFFAOYSA-N 363.352 3.415 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc(O)nc1S)CC2=O 587492217 NRKMQFWDDHHATQ-GOSISDBHSA-N 360.435 3.318 0 1 FGAF C[C@]1([C@@H]2COCCO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644128 RATLADLQDPEMDQ-AKIFATBCSA-N 364.489 3.064 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]314 169294697 PAXDZHPBDVTZOB-WDUIVCLNSA-N 367.489 3.350 0 1 FGAF CCN(CC)CCOc1c(NC(C)=O)c(OC)c2ccoc2c1OC 1845007 OMUOVWVLZSDHSZ-UHFFFAOYSA-N 350.415 3.129 0 1 FGAF Cc1cccc(N2CCN(C3=NC(=O)[C@H](Cc4ccccc4)S3)CC2)c1 4063825 NHJVGEWVBXYWQH-IBGZPJMESA-N 365.502 3.358 0 3 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(O)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632227 DSRXSTGJFQEAOY-SJCJKPOMSA-N 368.458 3.066 0 1 FGAF COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(C)=O)cc2c1 8677490 RKRISZFRMDOHMV-UHFFFAOYSA-N 350.418 3.128 0 3 FGAF NCCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27322335 UMOGHJBZGCLIJG-UHFFFAOYSA-N 372.259 3.426 0 1 FGAF CCC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2 100911859 NPUPASYITYXDSJ-IXYNUQLISA-N 369.246 3.494 0 1 FGAF COC(=O)c1ccccc1/C(=C/S(=O)(=O)c1ccc(C)cc1)N(C)C 103183588 GFGPOMASKCGKED-AQTBWJFISA-N 359.447 3.116 0 1 FGAF C[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004915 GCOQFQIJJUXURI-OALUTQOASA-N 360.816 3.471 0 1 FGAF CS(=O)(=O)Nc1ccc(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1 28640204 RGQBWWUZZZBQLU-UHFFFAOYSA-N 363.822 3.179 0 1 FGAF Nc1nc(N)c2cc(CN3c4ccccc4C=C[C@H]4C=CC=C[C@H]43)cnc2n1 64468975 GLHUKNIVNLLYHN-CRAIPNDOSA-N 368.444 3.333 0 1 FGAF CC(C)(C)OC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 63629840 DGUZBYFBJUDRQM-UHFFFAOYSA-N 368.480 3.066 0 1 FGAF C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1N(C)c1ncnc2[nH]ccc12 66258851 CFQZFXWCFBDZIK-IUODEOHRSA-N 355.467 3.006 0 1 FGAF CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O 210451021 NPDVBBRDXJPEMJ-UHFFFAOYSA-N 364.398 3.044 0 1 FGAF COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1OC 14647621 QDTWCMYTGUKQLY-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12 96908239 DDHXSHRUWMYUJU-UHFFFAOYSA-N 358.486 3.447 0 1 FGAF CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143065852 GQMDHXHNOLFLHG-CQSZACIVSA-N 370.844 3.354 0 1 FGAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OC)c(Br)c1 621471882 RXEFQESHGFFLKE-NPRUJURCSA-N 371.256 3.264 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 587092747 GNQNQWHKSQGZNV-UHFFFAOYSA-N 368.340 3.461 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587398735 HILVJTWUKDWKPM-LHSJRXKWSA-N 351.402 3.488 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)c[nH]1)O2 587387770 WPANHJGCMCAHPT-ZDUSSCGKSA-N 368.174 3.216 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnncc3[nH]1)N2 587033062 XPFVJLJAFLTGBH-TZZQWBKVSA-N 372.479 3.480 0 1 FGAF Cc1cnc(N)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748176 VOISIDFORQFEDU-BJOHPYRUSA-N 350.235 3.497 0 1 FGAF N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587158924 ZCYXQSZBDGSHLS-VXJOIVPMSA-N 365.181 3.340 0 1 FGAF C=C1NC(=O)C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)=C(C)N1 587105614 AZEFYMNLCFCAGN-UHFFFAOYSA-N 353.381 3.368 0 1 FGAF FC(F)(c1ccccn1)c1nc2cc(I)cnc2[nH]1 587090748 XAPIVSWUAGNVQF-UHFFFAOYSA-N 372.116 3.098 0 1 FGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccncc41)[C@@H](C2)C3=O 587435323 DVDIDPBTPQBPEK-GAJHUEQPSA-N 369.376 3.326 0 1 FGAF CCOC(=O)C1(C(=O)OCC)CC[C@]2(C1)NCCc1c2sc(C)c1C 963032997 WEAIKPWCPAYGMG-LJQANCHMSA-N 365.495 3.002 0 1 FGAF Cc1cc2c(cc1O)[C@]1(CCCC[C@@H]1[C@H]1CCCCCN1)N[C@H](C(=O)O)C2 963550159 KIPXDULDCKBHAW-NSAZKJPHSA-N 372.509 3.217 0 1 FGAF Cc1ccc(C)c(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1 5066543 UGGCIAYFLSKZNJ-UHFFFAOYSA-N 350.418 3.197 0 3 FGAF CC(C)C[C@H](O)C1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 13595300 OELDEPZICGTLNG-SFHVURJKSA-N 371.481 3.315 0 3 FGAF C/C=C(\CC)c1c(O)cc2c(c1O)[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 14587083 LNOFDVSWGARPID-TVMKOSESSA-N 358.390 3.145 0 1 FGAF CCCCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)O 14819851 RZCPXIZGLPAGEV-NZPNELMESA-N 354.487 3.043 0 1 FGAF CC1CCC(n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)CC1 169729838 WQOSDXBJXIOTHM-UHFFFAOYSA-N 362.857 3.363 0 1 FGAF COC(=O)c1cc(F)c(F)cc1NC(=O)CCN1CCc2ccccc2C1 1857570796 RBVDZULSUVDNNM-UHFFFAOYSA-N 374.387 3.138 0 1 FGAF COc1ccc2c(c1)nc1n2[C@H](CNCc2cnc3ccccc3c2)COC1 2356299539 KMEWRISBXHUIRV-QGZVFWFLSA-N 374.444 3.454 0 1 FGAF O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 2458806 KLXBLUVDOJTELI-UHFFFAOYSA-N 356.422 3.357 0 1 FGAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 4049209 IENGNHVIPVKNPZ-ICSRJNTNSA-N 352.434 3.010 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4050129 PYHHITMSNPSEHN-DFEOGRTESA-N 370.474 3.260 0 1 FGAF COc1cccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)c1 4938582 WDMUZMGSDONAPM-UHFFFAOYSA-N 361.401 3.291 0 1 FGAF CC(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O 100523232 FVHQJBVEYBAJNW-UHFFFAOYSA-N 350.326 3.462 0 1 FGAF C[C@@H](NC(=O)COC(=O)c1ccc2ccccc2n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101496982 NMAMANILFJYJBL-MUIFIZLQSA-N 352.434 3.333 0 1 FGAF CCNc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12 115625433 LGYSFUQOFLOUBT-UHFFFAOYSA-N 364.449 3.189 0 1 FGAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccccc1 118618678 JMRVJHACGJMVJK-SJORKVTESA-N 361.380 3.094 0 1 FGAF Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 61904612 UMRIBGKTVDLHRG-LJQANCHMSA-N 372.446 3.071 0 3 FGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cnc4c3CCCC4)c(F)c21 26283606 LKDYVRVFFRJANC-UHFFFAOYSA-N 373.359 3.062 0 1 FGAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2)on1 61927389 ZGZBAKIFRSJLDL-KRWDZBQOSA-N 371.437 3.190 0 3 FGAF CC=C1CN2CC[C@@]3(c4ccccc4N)c4nc(S)ncc4[C@H]1C[C@@H]23 2356765080 NAURKPLAIVYWHF-ZLXGRDSLSA-N 350.491 3.155 0 1 FGAF O=C(O)c1ccc(Cl)cc1S[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 34044890 YGQUWMQYUYJEOL-QPPBUOOMSA-N 369.870 3.362 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2=O)cc1 4260686 BNMIRIAPRHBQIM-AEFFLSMTSA-N 371.481 3.272 0 1 FGAF biogenic CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)C1 73196012 RTYCWHGGZAEBPU-SECBINFHSA-N 367.400 3.244 0 1 FGAF COc1ccc(-c2cc(=O)[nH]c(=S)n2CCOC(C)C)c(OC)c1 221861721 DXIQTQJXBHFBHK-UHFFFAOYSA-N 350.440 3.015 0 1 FGAF CCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147542058 SCRMJJVUVNFMCZ-UHFFFAOYSA-N 357.431 3.310 0 1 FGAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)Nc1nccs1 25427723 OCAOOGJCWJGGTM-UONOGXRCSA-N 358.467 3.055 0 1 FGAF biogenic C/C=C1/CN2C[C@H]3c4c(n(C)c5ccc(OC)cc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC 238751097 JNZLOSHKINQZJQ-UKCAUPGPSA-N 366.461 3.396 0 1 FGAF COc1cc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CO)cc(OC)c1 254042291 DQYCNHBELXAHGU-NJYVYQBISA-N 356.418 3.278 0 1 FGAF O=C(N[C@@H](CCc1ccccc1)C(=O)N=c1cc[nH]cc1)C1CCCCC1 621429212 FQSQYILAUQIDEM-FQEVSTJZSA-N 365.477 3.140 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006772 RRFCIHPEQPKSKS-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF COc1cc(OC)c2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc2c1 587216422 BHSNJEWGZAVNAE-INIZCTEOSA-N 353.422 3.308 0 1 FGAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587088813 SBRXGEGNCWGVFV-CQSZACIVSA-N 362.424 3.145 0 1 FGAF COC(=O)c1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2n1 587228929 KGAUEMBJHHERMO-UHFFFAOYSA-N 354.410 3.106 0 1 FGAF CC[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583385 VUNXEPHNEJHNRR-PXNSSMCTSA-N 350.374 3.393 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586920297 HIOVAFFKMGIJEC-UHFFFAOYSA-N 372.233 3.247 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(O)c2[nH]1 586984294 JDDKHUKDPBJQJB-AWEZNQCLSA-N 374.238 3.451 0 1 FGAF O=C(O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149650 OROQZBOYVLIBEK-LBPRGKRZSA-N 371.343 3.055 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2O)N1 587773911 SCZUBNMVOYIARJ-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CC1=C[C@@]2(C=C(C(=O)O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587830876 GKGZCJJWVBQFQV-PWJLMRLQSA-N 368.202 3.220 0 1 FGAF Cn1nnc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587582481 LMRONXIXQVQTSH-NQIIRXRSSA-N 373.368 3.377 0 1 FGAF CC(C)[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582373 PAEDLVUHCHQTIN-PXNSSMCTSA-N 365.389 3.040 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587042917 NMZARWUWIQQGGI-CQSZACIVSA-N 358.467 3.068 0 1 FGAF Cc1ccnc2c1CCN[C@@H]2c1cccc(OCCCN2CCCC2)c1 963073600 WBXLYESMMBWJNV-OAQYLSRUSA-N 351.494 3.490 0 1 FGAF COc1cccc([C@@]2(C(O)O)NCCc3cc(-c4ccccc4)ccc32)c1 962669175 PFZBWRIAYADTLQ-HSZRJFAPSA-N 361.441 3.062 0 1 FGAF Cc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1-c1cn[nH]c1 1772654634 DCKFOWBHBAGPRR-UHFFFAOYSA-N 374.444 3.207 0 1 FGAF Cc1c(Cl)cccc1-n1c(CSC(=N)N)nc2ccccc2c1=O 169316422 RLMAESVXXRMKIE-UHFFFAOYSA-N 358.854 3.474 0 1 FGAF O=C(c1ccccc1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857618544 WWGCWYOBGRLVFI-FQEVSTJZSA-N 361.445 3.498 0 1 FGAF COc1cc(=O)n(C)nc1-c1cc(NC(C)=O)ccc1Oc1ccccc1 217389752 SDPNDCCECZLTLA-UHFFFAOYSA-N 365.389 3.207 0 1 FGAF Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1 596605 HMUPZJIZTXUIKI-UHFFFAOYSA-N 368.784 3.080 0 1 FGAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@H](O)Cc1ccccc1 3979801 WMEUGWYECRHASZ-OALUTQOASA-N 361.482 3.396 0 1 FGAF O=C(O)c1cc2n(Cc3ccccc3)c3ccc(Cl)cc3c(=O)n2n1 27852779 NXODTVKCBYDNJF-UHFFFAOYSA-N 353.765 3.049 0 1 FGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C[C@H]2CC=CCC2)CC1 117377011 TVWRSURMNYXPIC-CVEARBPZSA-N 367.493 3.123 0 1 FGAF COC(=O)CCNC(=O)c1cccc(OCc2ccc3ccccc3n2)c1 29222134 NKYRVVDJMFPPKW-UHFFFAOYSA-N 364.401 3.107 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356516231 PSCHPNOCVHDNMF-RBPMXDMOSA-N 359.510 3.050 0 1 FGAF CC(=O)O[C@@H]1CO[C@@H]2C3=C[C@@H]4OC(=O)[C@]5(C)CCC[C@](C)([C@@H]3CC[C@]12C)[C@H]45 2356824806 GYYXRBVTJTWJGT-RDUKLKAISA-N 374.477 3.411 0 1 FGAF O=c1[nH]ccn1-c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1 211846749 QKMUSFWDOZLWDK-SFTDATJTSA-N 361.445 3.306 0 1 FGAF COC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3C)n2)cc1 82069893 MMDWLTWTTOOZPT-UHFFFAOYSA-N 350.374 3.367 0 1 FGAF O=C(c1coc(-c2cccs2)n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 82081419 ZXPSBPDPSULKDR-CQSZACIVSA-N 373.478 3.268 0 1 FGAF CCN(CC)CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)no1 95554933 DWONIEGSMHGNHG-UHFFFAOYSA-N 355.360 3.318 0 1 FGAF O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)[nH]1 261130029 KXTYCYFHUXYZOR-WKILWMFISA-N 368.412 3.287 0 1 FGAF N=C1N[C@](CF)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[C@@H]2C[C@@H]2O1 473194851 SUUKHIFMZQJKSQ-QIIPPGSGSA-N 374.803 3.095 0 1 FGAF O=C(O)Cc1cc(CC(=O)O)cc(-c2ccc(Br)s2)c1 653837586 CATUSNYZGRROPM-UHFFFAOYSA-N 355.209 3.432 0 1 FGAF CC1(C)OCc2c(Nc3n[nH]c(Cl)c3Cl)nc(-c3cn[nH]c3)nc21 653705994 JCYJEGMUKHOEDZ-UHFFFAOYSA-N 366.212 3.406 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1nc(O)cc(-c2ccccc2)n1 587652348 CKABJMNYLYVPBH-UHFFFAOYSA-N 350.765 3.202 0 1 FGAF COC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592220 JKNLOJQPRCUDOV-RISOHXOYSA-N 354.358 3.066 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(O)c2)N1 587772614 OOKVGSGZZOTMAE-JDNHERCYSA-N 351.219 3.487 0 1 FGAF Nc1ccnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 587018974 DIIPVEISAIOHMY-UHFFFAOYSA-N 365.422 3.231 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ncc2[nH]1 587193963 KAEUWWRCSVTGFP-SNVBAGLBSA-N 353.854 3.129 0 1 FGAF O=C(NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587569967 HPRMUNXIPRPAEH-SJLPKXTDSA-N 367.401 3.029 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 587786802 RRXSVZGPURHIMC-UHFFFAOYSA-N 362.769 3.393 0 1 FGAF CCOC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587438717 QCPJPVFSMQLFJG-SPLOXXLWSA-N 369.417 3.480 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397378 AJOVGWAKZCFKTA-HKMRUAMVSA-N 358.438 3.168 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC)ccc3[nH]2)cc1 586939377 NNESHSHPXSCSKR-LBPRGKRZSA-N 359.451 3.315 0 1 FGAF CCN1/C(=C/c2ccc3c(O)nc(O)nc3n2)Sc2ccc(OC)cc21 587563940 MGTBKEXMRWNEKQ-NVNXTCNLSA-N 368.418 3.375 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CCCC2)N1 587754876 LLXLLYWIONPMBQ-YGRLFVJLSA-N 369.278 3.470 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)s1)[C@@H](C2)C3=O 587453209 WAQXVDDVKYSIOJ-VBKZILBWSA-N 371.458 3.256 0 1 FGAF COC1=C[C@]2(C[C@H](C(=O)O)C1)c1cccc(Br)c1CCN2C 963278863 CTEHYUAMHJZUKZ-PIGZYNQJSA-N 366.255 3.157 0 1 FGAF Cn1cc(-c2cc3ccccn3c2[C@H]2NCCc3nc4ccccn4c32)cn1 962987196 UZTDLIDDFPJZEM-HXUWFJFHSA-N 368.444 3.223 0 1 FGAF F[C@@H]1COCC[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961772 WBVVBKFHOFFPGM-RHSMWYFYSA-N 359.363 3.311 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccccc1N1CCOCC1 963638696 UNPZDJHWQNBWPT-NYHFZMIOSA-N 368.477 3.164 0 1 FGAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C/[C@@H](COc2ccccc2)O1 169366109 ZWESPJLQSOQNEF-VHRXFUOLSA-N 372.461 3.022 0 1 FGAF COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C 169687178 IGXVWJWCUSMRHI-RBUKOAKNSA-N 365.429 3.303 0 1 FGAF CC(=O)[C@]1(C(=O)NC2CCCC2)CC(c2ccccc2C(F)(F)F)=NO1 201487049 AOJLWGRYWRECTB-KRWDZBQOSA-N 368.355 3.216 0 3 FGAF COc1ccc(Cn2c(C)c(CCN)c3cc(OC(C)=O)ccc32)cc1 4213523 FEPRMHVEXSXGPN-UHFFFAOYSA-N 352.434 3.433 0 1 FGAF in-man Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CC2CC2)cc1 225921174 KCJJYCIVFYDIRB-UHFFFAOYSA-N 361.384 3.341 0 1 FGAF CCOc1ccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1 101697699 DMCZJPNTAVYVIL-ACJLOTCBSA-N 351.468 3.222 0 1 FGAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)NCc1ccccc1)C2 2356290264 NKWLZZHZSQQAOP-GOSISDBHSA-N 365.433 3.436 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3CC3CCCCC3)n2)=CN1 2356861831 GYSGZHNAAZUAJY-KRWDZBQOSA-N 356.494 3.338 0 1 FGAF Cc1c(C(=O)NCc2ccc(F)cc2)sc(=O)n1Cc1ccccc1 61905331 XQWWLFKPCBYBHG-UHFFFAOYSA-N 356.422 3.336 0 3 FGAF O=C(O)CCCCCCCNC(=O)c1cc(Br)ccc1O 35996720 POISOOGDIHABAG-UHFFFAOYSA-N 358.232 3.310 0 1 FGAF Cc1ccc(-c2cc(C(=O)NCCc3ccc4c(c3)OCO4)no2)cc1 72170948 VTGAZQDJLUWDAU-UHFFFAOYSA-N 350.374 3.351 0 1 FGAF Cc1cc2nc(C)c(CN3CCN(c4ccc(F)cc4)CC3)n2c(C)n1 43012562 RTYGYVMXTLAVMS-UHFFFAOYSA-N 353.445 3.116 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H](C)N2CCCC[C@@H]2C1 40631409 GOIFKVIKBPQYGJ-FRRDWIJNSA-N 351.878 3.066 0 1 FGAF CC[C@H](C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F 135673438 CBTYCWPUILXVCP-GAFUQQFSSA-N 372.416 3.141 0 3 FGAF COCCN(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 221627054 JMYLLNWIZCPIHQ-UHFFFAOYSA-N 367.424 3.218 0 1 FGAF CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1 40380162 DBMLVCUNAVGNRI-UHFFFAOYSA-N 374.901 3.104 0 1 FGAF CCN(C)CCc1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40860181 XOYDABHRJOIFTH-OAQYLSRUSA-N 369.461 3.384 0 1 FGAF Cc1nc(NCc2ccccc2)cc(NC[C@H](O)c2ccc(O)cc2)n1 45323560 KDMMOVNIUQGUSV-SFHVURJKSA-N 350.422 3.248 0 1 FGAF CO/C=C(/C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C 263638605 WAVDUDGTTMFJQX-XICRDNKTSA-N 354.450 3.426 0 1 FGAF CCOc1nn(-c2ccc(C(=O)OC)cn2)c(C)c1Cc1ccccc1 474609529 QPBNFRGRNFHPLK-UHFFFAOYSA-N 351.406 3.352 0 1 FGAF CSCC(C)(C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586968638 GTKQTQIWPJQMAR-UHFFFAOYSA-N 352.403 3.497 0 1 FGAF COC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039717 DURDWBFVUSSVBS-SJORKVTESA-N 353.447 3.296 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 586944877 PHVYGHFBISDVPT-UHFFFAOYSA-N 353.831 3.142 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ncon3)cc1)O2 587396335 ZWWLVCBBTQHVQH-KRWDZBQOSA-N 351.362 3.246 0 1 FGAF Brc1cc(/C=C/c2nc3cnncc3[nH]2)cc2c1OCCO2 587000643 JHKNFYMWJPNRDB-OWOJBTEDSA-N 359.183 3.057 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586962023 AHHOQHVLMOXNKD-QMMMGPOBSA-N 370.360 3.371 0 1 FGAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2c(C(=O)O)cccc12 587638712 OOYXKUKIXCVGAW-UHFFFAOYSA-N 367.739 3.427 0 1 FGAF COc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 587002350 KBKGQPTVQQILRP-UHFFFAOYSA-N 372.226 3.321 0 1 FGAF CCn1ncc(Br)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414178 UIROQVBMPJDYHL-HWPZZCPQSA-N 363.211 3.163 0 1 FGAF CS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036926 PMIAVIBASIZGSW-AWEZNQCLSA-N 350.490 3.407 0 1 FGAF CCS(=O)(=O)NCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586943496 BTJQFEJFAKWCLM-UHFFFAOYSA-N 373.478 3.014 0 1 FGAF COc1ccc(C=O)c(-c2nc3cnc(Br)cc3[nH]2)c1OC 587786162 IWZSPUSIKQRBIX-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF CCOc1nc2sccn2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453680 RWHMNAGWCULXBS-BDJLRTHQSA-N 356.403 3.292 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(OCC(=O)O)cc1)O2 587402291 WVSADZFTURQZIK-NRFANRHFSA-N 369.417 3.397 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C=C[C@H]2C[C@H]1C(=O)O 587820204 AMKFFVYRWKYSMJ-FSSZQWERSA-N 366.230 3.224 0 1 FGAF CC(C)c1nn(C)c2c1[C@@H](c1cn(Cc3ccc(Cl)cc3)nn1)NCC2 962918332 IFFLLILQARYRPW-LJQANCHMSA-N 370.888 3.072 0 1 FGAF c1ccc2c(c1)C[C@H]2CN1CCN(c2cccc3c2OCCCO3)CC1 13743693 ZCYSEQYIHFPUAG-SFHVURJKSA-N 350.462 3.310 0 1 FGAF CNC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C 13745323 IQLCOIMRBVMJIE-UHFFFAOYSA-N 364.409 3.194 0 1 FGAF Cc1c(-c2ccc3c(c2)CN(C(C)C)C3=O)nnn1-c1cccnc1F 14210660 ZUWMBBZBDLJVHD-UHFFFAOYSA-N 351.385 3.141 0 1 FGAF in-vitro CCOc1ccc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)cc1 169325845 CHHWDFJNJCGGKA-UHFFFAOYSA-N 365.393 3.298 0 1 FGAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@H]1N2C 169330473 WPSZKOIIDITBPV-HUEQCLLISA-N 358.265 3.094 0 1 FGAF COc1ccc(CN=c2nc3c(c[nH]2)CSc2ncccc2-3)cc1OC 1857534824 ZROTXBPYXFKYJT-UHFFFAOYSA-N 366.446 3.196 0 1 FGAF O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4F)CC3)cc2N1 40846512 YWXDULAFPNNZFR-UHFFFAOYSA-N 369.396 3.012 0 1 FGAF COc1cc2c(c(O)c1CC=Cc1ccc(O)cc1)C[C@@H](C(C)(C)O)O2 2356330961 SJDHFQFQYUEPRC-IBGZPJMESA-N 356.418 3.437 0 1 FGAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051566 BNDMIFGDAPNZCD-WKCGWZECSA-N 372.490 3.363 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1C=CC[C@](C)(O)[C@H]1O3 2356710244 VHWDGAJVLZBHQV-DRAMBROLSA-N 370.401 3.103 0 1 FGAF CNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 39235808 SIUDLAKKBRIKKR-HIZGXPAQSA-N 360.461 3.384 0 1 FGAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NC1CCCCC1 73196415 BRRGPWRKDIBWQE-GOSISDBHSA-N 355.438 3.110 0 1 FGAF CSCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12 39359808 RPZIREVSLPOKKA-UHFFFAOYSA-N 366.556 3.255 0 1 FGAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1 73166740 DPBOMZYEIMRMQH-QGZVFWFLSA-N 360.461 3.321 0 1 FGAF O=C(O)c1cc(CN2CCc3cc(Cl)ccc3C2)c2ccccn2c1=O 43207349 JQXYMAUJXUPLBX-UHFFFAOYSA-N 368.820 3.209 0 1 FGAF COc1ccccc1C(=O)N1CC[C@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 199267411 OEONDOIAFNFGGC-QFBILLFUSA-N 364.445 3.072 0 3 FGAF CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82176080 TZJOQDFAXIHQMJ-UHFFFAOYSA-N 369.400 3.103 0 1 FGAF CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 40848341 VCADIWSEVTZZOR-UHFFFAOYSA-N 357.845 3.240 0 1 FGAF COc1ccc(C)c(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)c1 149274033 BIZATFGCHCLCSE-UHFFFAOYSA-N 362.429 3.241 0 1 FGAF CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)[C@@H]2CCCC[C@H]21 144444135 FPZJORKHWVTQBR-QZTJIDSGSA-N 350.397 3.199 0 1 FGAF Cc1c(-c2nc3c(C(N)=O)cccc3[nH]2)cnn1-c1ccc(Cl)cc1 141096600 WDTCFEKLIHRDRQ-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF O=C(COc1ccc2ccncc2c1)Nc1ccc(-c2cnccn2)cn1 473122310 RLZSMAYHMSNWRY-UHFFFAOYSA-N 357.373 3.104 0 1 FGAF CC[C@@]1(c2cncn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574905 CQXZYYYUSVUMGN-PXNSSMCTSA-N 350.374 3.393 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587784491 HWXYRPMKRWLGOW-CVEARBPZSA-N 363.417 3.208 0 1 FGAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2c(C(=O)O)cccc2c1CCCO 587637950 JJGNDFDOQKFUQS-NSHDSACASA-N 362.426 3.377 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCC1(C2)OCCO1 587612145 UOPGFQNIMAJWIT-YLJYHZDGSA-N 368.385 3.410 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(=N)[nH]c2)N1 587746146 LMYGTSYUGFBGLO-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF CC(C)c1nn(C)c2c1[C@](CCC(=O)O)(c1ccc(F)c(F)c1)NCC2 962907615 HYRDPIPFSPMQFF-IBGZPJMESA-N 363.408 3.076 0 1 FGAF COc1ccc(CNC(=O)C[C@@]2(C)NCCc3ccc(F)c(C)c32)cc1 962299516 OGJMRKXCHFGLSD-OAQYLSRUSA-N 356.441 3.210 0 1 FGAF CC1=CC(=O)N(Nc2nc(-c3ccc(F)cc3)nc3sc(C)cc23)C1=O 1772626960 VUMJDYPHUKJCQA-UHFFFAOYSA-N 368.393 3.448 0 1 FGAF O=C(O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 12487773 OXRWCJDIHPEXGS-DOMZBBRYSA-N 360.328 3.293 0 3 FGAF COc1ccc(OC)c(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1 14645957 PNFTWBIQHXIJCX-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic,in-vitro CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)O[C@]1(C)O 169622136 RAQOIYLDXSAKSS-QTUPQVPBSA-N 366.454 3.247 0 1 FGAF C[C@H]1CCCC[C@H]1n1c(=O)cc(O)n(CCc2ccc(Cl)cc2)c1=O 169729837 YUSPWSHVDOREHQ-XJKSGUPXSA-N 362.857 3.363 0 1 FGAF CCCCCn1nnnc1[C@](C)(CCCCC(=O)O)NCc1ccco1 205858022 IDDIYHBWBBFCHZ-SFHVURJKSA-N 363.462 3.106 0 3 FGAF Cc1ccc(N2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)nn1 1857613012 YLDVTBYZHJCSDV-UHFFFAOYSA-N 373.254 3.038 0 1 FGAF CCCCC[C@H](O)/C=C\[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 7997983 PXGPLTODNUVGFL-AZEAQWIUSA-N 354.487 3.043 0 1 FGAF O=C([C@H]1C[C@H]1c1ccc(N2CCCC2)cc1)N1CCN(C2CCC2)CC1 113833832 BXNFCHBDFLQYHZ-SFTDATJTSA-N 353.510 3.087 0 1 FGAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(Cl)c(Cl)c2)C1 61927736 HQIIRENVVMKPPZ-QGZVFWFLSA-N 359.297 3.358 0 3 FGAF CCCCCC(=O)CC[C@H]1[C@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1O 2356527063 VKTIONYPMSCHQI-CADBVGFASA-N 354.487 3.475 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@H]1O 2356549679 DIYWZICECWKTIT-XFKSJGNHSA-N 372.502 3.402 0 1 FGAF OCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 29567028 DRZIMEJOGKMAMC-UHFFFAOYSA-N 368.456 3.092 0 1 FGAF COc1ccc(N)cc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 36161184 NOBOVUPYUSFZDD-UHFFFAOYSA-N 373.368 3.168 0 1 FGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CC[C@@H](O)C3 147585282 KPDNBSPGTLSCPM-GFCCVEGCSA-N 358.415 3.124 0 1 FGAF Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)[nH]n1 149802181 IMTBBQKIJHZMFT-UHFFFAOYSA-N 373.420 3.277 0 1 FGAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 238760873 KPWWGZZDHZPMOH-AWEZNQCLSA-N 374.389 3.436 0 1 FGAF C[C@H]1C[C@@H](C)CN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)C1 653901680 ANXZFHLZSNLNFW-HDICACEKSA-N 355.482 3.369 0 1 FGAF Nc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1N 587259076 WQTFXXXCAZMITP-HNNXBMFYSA-N 374.448 3.299 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(OC[C@H]4CCCCO4)c(F)c3)nc2n1 587368213 JYVXIDLOUJRFQU-GFCCVEGCSA-N 371.368 3.190 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](Cn1cncn1)(C1(Cl)CC1)CC2=O 587462031 VWBUFOBJLLNMQE-SFHVURJKSA-N 361.829 3.112 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccnn3c2)N1 587796839 QTYPIJDCXYMDQW-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF CN(C)/C=C\[C@@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517552 PQHDQIGABHYYRI-BUVUWQSRSA-N 351.450 3.235 0 1 FGAF O=C(O)c1ccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1 587561061 MWUWAAIDOONFTL-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1OC)(C(=O)O)CC2=O 587478898 KSSULAUXJVLIGM-OAQYLSRUSA-N 370.401 3.385 0 1 FGAF COc1cc2c3c(c1)O[C@@](CO)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420847 HUUDGOSOEVHCQC-KSSFIOAISA-N 364.319 3.349 0 1 FGAF Cn1ccnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576182 IAXUFFQAHDYKRS-UTKZUKDTSA-N 362.385 3.393 0 1 FGAF COc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774204 TXOKCUDIXJADBY-ANRSDYALSA-N 352.207 3.010 0 1 FGAF O=C(O)c1cccc2c1CCN[C@]21C(=O)Nc2cc(Cl)cc(Cl)c21 963133720 SBCGGYYQNSEXGW-QGZVFWFLSA-N 363.200 3.033 0 1 FGAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@]1(C)NCCc2c1sc(C)c2C 963023172 LIBJWOQDTRGIDG-KXBFYZLASA-N 367.511 3.248 0 1 FGAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N3CCCC3)cc21 5058534 UZYLNFKMZJSFLI-SANMLTNESA-N 368.458 3.069 0 3 FGAF COC(OC)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 14584219 APHZFPITYCSKIN-USYVTKNRSA-N 372.417 3.202 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@@H](C4)[C@@H]3[C@H]1C 169367599 HWXCULOUOMXWMG-RPMQRCSWSA-N 367.489 3.293 0 1 FGAF CC(=O)N1CC[C@@H](Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)C1 1857650151 WANNDCCBSBGNRB-MRXNPFEDSA-N 363.421 3.140 0 1 FGAF O=C(CCCCOc1cccc(Br)c1)N[C@@H]1CCSC1=O 1857653730 YXDQNVZRRGTPNR-CYBMUJFWSA-N 372.284 3.147 0 1 FGAF N=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(CN3CCCC3=O)[nH]c12 1857771176 SUBWHJLGYZCPRD-UHFFFAOYSA-N 357.417 3.313 0 1 FGAF Nc1ccc(C(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1635923 JQXRTUBLYBFPGF-UHFFFAOYSA-N 356.385 3.030 0 1 FGAF CC(=O)Nc1ccc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 3253540 NWXXDFOOEHAFBN-UWJYYQICSA-N 372.465 3.229 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 100682674 SLKDSLAWMQSCJY-FSNAAORZSA-N 369.527 3.134 0 1 FGAF COc1ccc2c(c1)C(=O)c1c-2c(N2CCN[C@@H](C)C2)nc2ccccc12 29055591 LQLWDSCKCPHKMO-ZDUSSCGKSA-N 359.429 3.253 0 1 FGAF C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004909 GCOQFQIJJUXURI-MOPGFXCFSA-N 360.816 3.471 0 1 FGAF CC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 29562386 JPGXLBUXWAMJBG-HXUWFJFHSA-N 350.506 3.263 0 1 FGAF CNc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117586644 QPLGNXWBVZHNCV-UHFFFAOYSA-N 354.454 3.239 0 1 FGAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1N[C@H](C)CCCN 27183616 YHSZCMSYNLAQGR-HUUCEWRRSA-N 359.518 3.322 0 1 FGAF CC(C)O[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40935425 CCWMVANLNDJTSE-SWLSCSKDSA-N 366.849 3.089 0 1 FGAF CCOC(=O)c1c[nH]nc1NCc1coc(-c2cccc(OCC)c2)n1 72101161 YQIPELMLRNNEGM-UHFFFAOYSA-N 356.382 3.252 0 1 FGAF C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1 220966287 CUVZGGCTBOIZBH-CYBMUJFWSA-N 365.437 3.176 0 1 FGAF C/C=C/C(=O)OC[C@H](OC(=O)CCC)c1cc(OC)c(OC)c(OC)c1 95562745 OXLIZXYPPHNMOB-BVBGJJFLSA-N 366.410 3.216 0 1 FGAF CC(C)(Cn1c(O)cc(=O)n(C2CCCC2)c1=O)c1cccc(Cl)c1 96270094 JTOOZSVUIPNNHF-UHFFFAOYSA-N 362.857 3.462 0 1 FGAF O=C(Nc1cnc2cnc(-c3cnn(Cc4ccccc4)c3)cn12)C1CCC1 653678273 PHFLTECZEIXVIN-UHFFFAOYSA-N 372.432 3.380 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1cc4ccccc4o1)(C(=O)O)[C@@H](C2)C3=O 587455153 JXODOFAFKNLWKH-BTYIYWSLSA-N 364.353 3.255 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(N)=O)cc1)CC2=O 587468289 DRMGMTFYZHFDHR-CWTRNNRKSA-N 369.417 3.304 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1OC 587006747 OBAOAGYIEROSAN-UHFFFAOYSA-N 351.156 3.381 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1F)[C@@H](C2)C3=O 587425341 CAWRQKCKYKBEMN-RBZFPXEDSA-N 355.365 3.369 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(=N)N)ccc3[nH]2)s1 587023933 XIZVZODSYIWHFI-UHFFFAOYSA-N 358.427 3.317 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(F)n1)[C@@H](C2)C3=O 587427895 LBSAIGNKVZWSTD-VFZGTOFNSA-N 364.170 3.481 0 1 FGAF CCOC(=O)Cc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444490 ZITIOTRSNQLKNN-VGOFRKELSA-N 366.413 3.464 0 1 FGAF N=C(N)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116137 PJLPSROTTMPLSM-UHFFFAOYSA-N 356.311 3.476 0 1 FGAF Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)NCCc2ccc(O)cc21 963340426 GWBLEBUGNQLCJD-KXBFYZLASA-N 359.495 3.157 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@@]12CCCC[C@@]21CCOC1=O 961314950 BERGPNXZYXMJMC-FCHUYYIVSA-N 373.493 3.292 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CC2CCCCC2)(c2ncccn2)N1 962894346 IUJRZYHUBWHTHG-RXVVDRJESA-N 369.440 3.429 0 1 FGAF Cc1noc(NS(=O)(=O)c2cccc3c(CN(C)C)cccc23)c1C 13734246 LDGOBRDRWRXUKR-UHFFFAOYSA-N 359.451 3.307 0 1 FGAF CCOC(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1 13737671 MQMLSCZNCLYVPY-UHFFFAOYSA-N 351.362 3.147 0 1 FGAF COc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 14648611 AAAQSJHHXMDZCO-FZMZJTMJSA-N 360.362 3.036 0 1 FGAF biogenic,in-vitro CCN(CC)CCOc1ccc(CNC2=NCCc3ccccc32)cc1 169325281 SOFKMIMRYPHDOQ-UHFFFAOYSA-N 351.494 3.500 0 1 FGAF COc1ccc2cc(-c3cn(CC(=O)Nc4cc(C)on4)nn3)ccc2c1 169326771 IFHHBELLDFRGPJ-UHFFFAOYSA-N 363.377 3.042 0 1 FGAF CN(C)C(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169704137 DUJWGLCTYAWISR-MRXNPFEDSA-N 371.391 3.051 0 1 FGAF COc1ccc(C2=NN(CCC(=O)N[C@H]3CCCC[C@@H]3C)C(=O)CC2)cc1 4712725 FUJTXGXNXRHXLQ-YJBOKZPZSA-N 371.481 3.107 0 3 FGAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(C)=O)C=C3C)[nH]c2n1 2356286849 RXISMJKWPMTJAY-YESZJQIVSA-N 370.497 3.500 0 1 FGAF O=C(O[C@H]1CC[C@H](CO)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 29565134 LQHGEJABMDXCPX-ZYSHUDEJSA-N 354.402 3.230 0 1 FGAF Nc1ccc2cccc(O[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)c2n1 28371673 YGVPVRLYSXAJMW-MRXNPFEDSA-N 363.417 3.199 0 1 FGAF N#Cc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587484 CJMMRKYTFQHDPQ-UHFFFAOYSA-N 350.422 3.069 0 1 FGAF C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CCN(C)CC1 28816382 SJMBEOUPGLPONN-VQTJNVASSA-N 366.505 3.187 0 1 FGAF O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CNCC2 27988037 GFHFZEUKTXCKDO-UHFFFAOYSA-N 357.262 3.440 0 1 FGAF O=C(O)[C@@H]1C[C@H](C2=CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 34009023 RAVZUVXRDCISNO-RDJZCZTQSA-N 369.808 3.061 0 1 FGAF COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1 71281231 YTPPBAYYHIGVLQ-UHFFFAOYSA-N 366.421 3.034 0 1 FGAF CN1CCCC[C@@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71329057 QQXYLDQBGTVJBJ-XAPVIXHLSA-N 356.510 3.150 0 1 FGAF COc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1O 14645923 HCBHUSZRPOFQMN-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro CCCNC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCOC2 84602109 KJXQJKGIDTXDBB-OUCADQQQSA-N 362.495 3.335 0 1 FGAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 49049905 OJPKTXCBMCNJHG-FKHUDQKESA-N 374.440 3.093 0 1 FGAF COc1cc(-c2c[nH]c(C(=O)c3ccc(O)cc3)n2)cc(OC)c1OC 95581838 IBWAOXJKDGALBS-UHFFFAOYSA-N 354.362 3.039 0 1 FGAF C/C=C1/CN2C[C@H]3c4c(n(C)c5ccc(O)cc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC 238732675 IVPXAGQSLDZJKE-MUZJQLGVSA-N 352.434 3.093 0 1 FGAF Cc1ccc(Cl)cc1-n1cc(-c2ncnn3cccc23)cc1C(N)=O 263620690 LCPNDRXSKAUPSE-UHFFFAOYSA-N 351.797 3.248 0 1 FGAF in-vitro CN1C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O 653822834 OPIOXTZPSHBWQK-AUWJEWJLSA-N 360.822 3.356 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586938415 VNDQRZZULGMEJK-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1C 587616406 JNFGVMVSHBVAIA-KLNWDSFVSA-N 354.358 3.064 0 1 FGAF CN1CCN(c2ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3c2)CC1 587059774 WGOXRBWYVKJURD-KRWDZBQOSA-N 369.900 3.211 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ncnn23)N1 587798391 VMCKNBBXSZNPOZ-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF CCOC(=O)c1[nH]c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587437645 IJWLVBJLWOUFFD-BFUOFWGJSA-N 355.390 3.306 0 1 FGAF C[C@@]1(c2ccc(-n3cnnn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517934 XHVSGLHYQPYKRQ-NRFANRHFSA-N 360.417 3.422 0 1 FGAF Oc1nc2cc3nc(C(F)(Br)Br)[nH]c3cc2[nH]1 587086592 DQLNFLPNEQMANG-UHFFFAOYSA-N 363.972 3.014 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(C)cc41)[C@@H](C2)C3=O 587454540 UGVLUYBIEQIOOD-QKKBWIMNSA-N 364.353 3.007 0 1 FGAF COc1cccc(C(=O)c2cc(I)ccc2N)c1 957661852 RVOVPAKFBBJYOQ-UHFFFAOYSA-N 353.159 3.113 0 1 FGAF Cc1oc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962714912 RQTVIJHVWHTLBS-DYVFJYSZSA-N 367.323 3.195 0 1 FGAF COc1ccc(C(=O)N(OCc2cccc(Cl)c2)[C@@H](C)C(=O)O)cc1 1772623535 FKIZFOXAOIYHQH-LBPRGKRZSA-N 363.797 3.396 0 1 FGAF CCN(CC)CCN(C(=O)c1ccc(O)cc1O)c1ccc(OC)cc1 1772635522 CASJAXHLGJLYGN-UHFFFAOYSA-N 358.438 3.095 0 1 FGAF CC(C)CC(=O)OC[C@@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13517877 PHRFEDMLKOKUBM-QDGSLSSCSA-N 354.487 3.498 0 1 FGAF CCC(CC)N1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 13561121 JOKHERRVMCTSEG-UHFFFAOYSA-N 358.404 3.461 0 1 FGAF CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CC1 13738802 LSWCXHNCEOKKBH-IBGZPJMESA-N 354.494 3.223 0 1 FGAF Cc1cc(O)cc(C)c1C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 13765446 NRDJIOCQFPTJAK-QRWLVFNGSA-N 367.445 3.226 0 1 FGAF OCCOc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 19740951 FRUPTKNZSOGSDX-JOCHJYFZSA-N 366.505 3.080 0 1 FGAF Nc1ncc(-c2cnn(Cc3ccccc3)c2)cc1C(=O)Nc1ccncc1 150122930 ZIRAJQJDABKSFH-UHFFFAOYSA-N 370.416 3.223 0 1 FGAF COC(=O)NC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 1857635120 BJLXNPXSPUJNCA-FJWRRNOESA-N 359.466 3.335 0 1 FGAF COc1cc2c(cc1OC)-c1n[nH]c(/C=C3\C(=O)Nc4ccccc43)c1C2 1857654205 MTTQEDBXSNARGX-ZROIWOOFSA-N 359.385 3.491 0 1 FGAF O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1)c1ccncc1 1377947 VYLJBXFOXKRHKK-RTBURBONSA-N 364.449 3.429 0 1 FGAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc3c(c2)OCO3)N[C@@H]1c1ccc2c(c1)OCO2 6576716 DNMVOMDRHGSSGO-MWRFHTASSA-N 367.401 3.371 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290288 NXZINIUZFWJYHR-OAHLLOKOSA-N 370.380 3.206 0 1 FGAF Nc1nc(N)c2c(Cl)c([S@](=O)c3ccccc3Cl)ccc2n1 59720592 HYUHULQWRJQJTF-QFIPXVFZSA-N 353.234 3.268 0 1 FGAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27712046 IJNLAPNMNMHBJS-SUYVIKNLSA-N 369.505 3.452 0 1 FGAF CCc1[nH]c(=O)[nH]c1C(=O)c1ccc(-n2ccnc2CCC(C)C)cc1 28764578 LESOQUFPUMVSKU-UHFFFAOYSA-N 352.438 3.271 0 1 FGAF CCCc1ccn2c(=N)c(S(=O)(=O)c3ccccc3)c(SC)nc2c1 36399486 RHPMAODCOKETGN-UHFFFAOYSA-N 373.503 3.321 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](O)(C(C)C)[C@@H](O)C3=CC[C@@H]12 39417850 HOFDMYAVMCEUNK-NUKYBCBUSA-N 350.499 3.460 0 1 FGAF Cc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C 40980756 IVFOGWLAPYXYJV-UHFFFAOYSA-N 354.389 3.211 0 1 FGAF C=C(c1ccccc1OC[C@@H](O)CNC(C)C)n1cnc2ccccc21 40632042 FLEMQGFHIVRJLM-KRWDZBQOSA-N 351.450 3.293 0 1 FGAF COCc1ccc(O)cc1CCN1CCCC[C@H]1[C@H](O)c1cccc(O)c1 85486937 NOJUKKVBEUQCAP-FCHUYYIVSA-N 371.477 3.375 0 1 FGAF biogenic,in-vitro CCCCNc1ccc2c(c1)OC[C@@H](Cc1ccccc1)NS2(=O)=O 96021147 NDOZMPVADZKINK-QGZVFWFLSA-N 360.479 3.181 0 3 FGAF O=C(O)C1CN(C(=O)CC2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)C1 145894123 PWGKRJZGMCIXCN-UHFFFAOYSA-N 371.452 3.453 0 1 FGAF O=C(C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1)N1CCCCCCC1 95785247 YBWBLILSLFRGIV-MJGOQNOKSA-N 351.487 3.225 0 1 FGAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(O)cc3)ccc12 96905454 SCCCIDSJFLGGJH-LJQANCHMSA-N 352.415 3.321 0 1 FGAF c1cc2c(cc1CC[C@H]1C[C@@H](CCc3ccc4c(c3)OCO4)N1)OCO2 96285967 BSCWPTKFQMWIPN-CALCHBBNSA-N 353.418 3.440 0 1 FGAF O=C(N[C@H](C(=O)c1ccccc1)n1c(O)ccnc1=S)c1ccccc1 253500974 ZFQBHJLFUYOPQZ-KRWDZBQOSA-N 365.414 3.130 0 3 FGAF Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473170652 FGSCAWVVSJGFJQ-ILXRZTDVSA-N 368.462 3.171 0 1 FGAF N[C@H](C(=O)O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1 299853077 FKUPOQLQJDQIOV-RTWAWAEBSA-N 350.462 3.385 0 1 FGAF FC1(F)Oc2cc3nc(CSc4nnc(S)s4)[nH]c3cc2O1 587025444 MFGOKOFZZXBOQK-UHFFFAOYSA-N 360.392 3.317 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ncc1F)[C@@H](C2)C3=O 587429382 UVHFDPAOGLXCSQ-QFYYESIMSA-N 364.170 3.481 0 1 FGAF O=C(O)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587612407 UYGZRIKWPUUZFS-CBLJQSSYSA-N 354.358 3.367 0 1 FGAF COC(=O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042328 SEIXHDKKKGEXMW-CVEARBPZSA-N 353.447 3.296 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587449225 IKIQKIUIYSSSEQ-HRAATJIYSA-N 350.370 3.373 0 1 FGAF COc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113900 WRZCHUVEHIEZSY-UHFFFAOYSA-N 374.326 3.292 0 1 FGAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCC23CCOCC3)N1 962714797 VQUWQGMKAKZRBV-PBHICJAKSA-N 373.346 3.229 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CCc3c1ccc(OC)c3N)N(C)[C@H](C)C2 962619801 HEZYDOZLKIZEFZ-DMZKTXOQSA-N 368.477 3.361 0 1 FGAF COc1ccccc1CN1C[C@H](C(=O)NCCC2=CCCCC2)CCC1=O 12030256 BMTANVMPYONXKO-LJQANCHMSA-N 370.493 3.441 0 3 FGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1O2 13764427 GWGUPRNQVJIAAS-DGAVXFQQSA-N 372.202 3.115 0 1 FGAF CCOC(=O)/C=C1\CN([C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc21 15933950 RUPYBEHTVBRXLZ-XOAFGZPJSA-N 371.458 3.399 0 3 FGAF O[C@H](CNCCOc1c(Cl)cccc1Cl)COc1ccccc1 169325887 XNWMVLYZATTYMC-CYBMUJFWSA-N 356.249 3.402 0 1 FGAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 169686924 RDQBONJTCROCKO-LSDHHAIUSA-N 374.828 3.239 0 1 FGAF CCCSc1nc(NC2CC2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857652565 RVSYPMIGGCISBP-UHFFFAOYSA-N 367.478 3.311 0 1 FGAF CC[C@@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 33833446 CITPXCNSMZMNIW-BRKWEVRTSA-N 370.493 3.432 0 1 FGAF biogenic,in-vitro COc1ccc2nc(C[C@H]3CN(C4CCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302673 MVHSHNQLKITKPX-KGLIPLIRSA-N 357.454 3.079 0 1 FGAF O=C(O)CCN1CCC(=C2c3ccccc3OCc3cccnc32)CC1 27561429 XSKPRUWKVJXIIZ-UHFFFAOYSA-N 350.418 3.346 0 1 FGAF COc1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 61926318 JQVAKOXJRPMTTO-NRFANRHFSA-N 370.449 3.316 0 3 FGAF C[C@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]21 2356583715 FAFFALJLKNGYLA-WLNBBYKGSA-N 362.510 3.148 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@@](C)(O)[C@@H]12 2356618354 OCPGSVYCKLXPSO-MPNRNUSQSA-N 362.510 3.293 0 1 FGAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(N)c(OC)c1 26491597 DIHNXFIIQRUAIA-IBGZPJMESA-N 351.406 3.473 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3C[C@H](C)O[C@H](C)C3)c2c1 73165042 CTONZNNWGOKLGZ-BETUJISGSA-N 354.454 3.346 0 1 FGAF CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 135807732 QJJLUJITDYPBBY-GBESFXJTSA-N 350.418 3.411 0 1 FGAF CCN(C)CCc1cccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40860085 YHTDPEGAUNUSLR-NRFANRHFSA-N 369.461 3.384 0 1 FGAF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccccc1-n1ccnc1 40564599 SEDBYGFFBIEJKL-UHFFFAOYSA-N 374.809 3.468 0 1 FGAF Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565832 YRVNPLYORJOKKB-UHFFFAOYSA-N 364.779 3.302 0 1 FGAF COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(C)=O)c3n2)cc1 95584656 UQSQDSLYDMJPFK-UHFFFAOYSA-N 359.389 3.450 0 1 FGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccccc1 261174317 ULZGPFRFRUESPZ-MRXNPFEDSA-N 351.410 3.345 0 1 FGAF N=C1N[C@](CF)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[C@H]2C[C@H]2O1 473194848 SUUKHIFMZQJKSQ-JCKWVBRZSA-N 374.803 3.095 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCCC2)N1 587754724 KVMXYOJDEZZZIY-QFYYESIMSA-N 369.278 3.470 0 1 FGAF Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ncn1 587657048 RBPDQNDFUYQNHO-UHFFFAOYSA-N 350.328 3.429 0 1 FGAF N[C@@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1F 587144224 JZANGXXXWWQCNW-NSHDSACASA-N 350.191 3.413 0 1 FGAF CCn1ncc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587390881 JURNYBQEGSLMIU-DUIUGDAFSA-N 354.454 3.038 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccn(C)n1)CC2=O 587477793 VDTYPFRLKAOWQO-ZAHGZRRWSA-N 355.438 3.014 0 1 FGAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1 587584305 ZNKYQKDOEGDVNC-XLIONFOSSA-N 350.374 3.311 0 1 FGAF N[C@H](Cc1cscn1)c1nc2c(Br)cnc(Cl)c2[nH]1 587027397 CICCBUAZVUZUOS-SSDOTTSWSA-N 358.652 3.073 0 1 FGAF CCOC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587052436 UBEGWRQEJJRZBG-CYBMUJFWSA-N 359.813 3.341 0 1 FGAF CCOC(=O)C(=O)C[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508245 UEWBARHFJCCJPX-IBGZPJMESA-N 366.360 3.057 0 1 FGAF Cc1cc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c(C)n1 587234357 KEKGSLYNRCGRMD-UHFFFAOYSA-N 358.442 3.438 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccn4)c1C)[C@@H](C2)C3=O 587432769 RCTMGMPWPKVYMR-BTYIYWSLSA-N 361.401 3.247 0 1 FGAF N[C@H](c1ccsc1)c1nc2ccc(I)cc2[nH]1 587024619 CYCOVTCIKRUHRI-LLVKDONJSA-N 355.204 3.277 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc3cccnc3c2)N1 963228708 IHSHTBBRHZIIQL-LEWJYISDSA-N 355.397 3.471 0 1 FGAF Ic1ccc(N[C@H]2OCCc3ccccc32)nc1 1857647685 YFDGBXIMWTUGQY-AWEZNQCLSA-N 352.175 3.370 0 1 FGAF CCCN1CCN(c2ncnc3onc(-c4ccc(Cl)cc4)c23)CC1 13367255 WBKWENOVDWIIFQ-UHFFFAOYSA-N 357.845 3.470 0 1 FGAF COCc1nc2cccnc2n1C1CCN(C(=O)c2ccc(C)s2)CC1 14989807 FTVBJJNEMFCGOO-UHFFFAOYSA-N 370.478 3.425 0 1 FGAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)cc(C)n1 597027 DOIHEANNHDBQGO-LLVKDONJSA-N 368.364 3.471 0 1 FGAF Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3Cl)c2N)c1 2957706 QCSHFCFZUXIIBA-UHFFFAOYSA-N 355.829 3.050 0 3 FGAF COC(=O)N[C@H](/C(C(=O)OC)=C(/C)NCc1ccccc1)c1cccs1 7992328 GYMVPSPYGOGQDI-MAUBAPBLSA-N 374.462 3.382 0 1 FGAF CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 53293627 UZYLFJRNQUYFQY-HXUWFJFHSA-N 355.482 3.365 0 1 FGAF O=C(O)C[C@H]1CCN(Cc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305745 CEYUSBXGBCJWFZ-IAGOWNOFSA-N 364.449 3.113 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2O[C@H]2C(=O)[C@@H]1C/C=C\CCCC(=O)O 100570222 QGGPQDSQYUCJOO-RUZUNFATSA-N 350.455 3.268 0 1 FGAF Cc1nn(-c2ccccc2Cl)c2c1c1c(c3cccn32)C(=O)NC1=O 103254139 NOGAMHMJRSGMSY-UHFFFAOYSA-N 350.765 3.124 0 1 FGAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 116821829 MITFJCGNZRSBSK-HUUCEWRRSA-N 363.417 3.045 0 1 FGAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc2ccccc12 27897334 DOQDILWLZOERNM-UHFFFAOYSA-N 366.398 3.166 0 1 FGAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 65385743 NEHPZFMJAQPIAP-UHFFFAOYSA-N 364.405 3.083 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@](O)(CC[C@@]12C)[C@H]43 2356550089 BIOQITHAUXBDPF-KZQFAKJVSA-N 371.521 3.147 0 1 FGAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@H](O)CC=C[C@H]1CC=CC(=O)O1 2356575782 BEDZJNMPIDRDAK-HSALFYBXSA-N 356.418 3.201 0 1 FGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccc(F)cc1 73159582 DKJVZOXYGWSLQE-ICSRJNTNSA-N 358.365 3.224 0 1 FGAF C[C@@H]1C(=O)OC[C@H]1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14649603 AVZNYICISHZREJ-SMDDNHRTSA-N 354.358 3.085 0 1 FGAF biogenic O=C(CC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nnc[nH]1 96916194 RNHMMEKKMJZCEL-UHFFFAOYSA-N 355.781 3.493 0 1 FGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@H]1CCC2=O 253665588 PGZGPYMGHNIKHG-BBNZPBLFSA-N 367.511 3.107 0 1 FGAF Cc1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c(N2CCCCC2)n1 621432757 QGWGTCYFMHYMDA-UHFFFAOYSA-N 362.437 3.418 0 1 FGAF Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3Cc2ccc(F)cc2)n1 299843656 VYPBGVQPCLQZDK-UXHICEINSA-N 353.441 3.295 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3ccc(F)cc3)c1C)O2 587383872 HGIRKOJPWDYCBH-HXUWFJFHSA-N 366.396 3.486 0 1 FGAF O=C(O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587119954 ZVYYZZBAIWGSBT-UHFFFAOYSA-N 350.300 3.402 0 1 FGAF O=C1C[C@H](c2nc3cncc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587148598 IXNXQESVCUVFTC-JTQLQIEISA-N 362.767 3.406 0 1 FGAF O=C(c1cccc(O)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607010 GIVIBTZQPNIJHQ-UWJYYQICSA-N 362.337 3.311 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(SC)ncc41)[C@@H](C2)C3=O 587452306 OCSIXUKXZOGXSA-HXPMCKFVSA-N 354.431 3.186 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587232724 BAGCPJHKPQHZCX-IUCAKERBSA-N 371.363 3.484 0 1 FGAF CCOC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439151 JUGZTFRTLAGCRW-IERDGZPVSA-N 368.385 3.126 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(=NCc4ccccc4)[nH]c1)[C@@H](C2)C3=O 587432867 NHICPFPRCSBYBZ-LAUBAEHRSA-N 373.412 3.008 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC2(C)C)N1 587828913 AZOXHYZWJLUIRY-ZKANADHPSA-N 370.218 3.095 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962940260 ACPAFVZLVBYTSY-XOMMZODVSA-N 368.477 3.466 0 1 FGAF O=c1c2c[nH]nc2c2ccc(-c3ncccc3O)cc2n1CC(F)(F)F 1772573063 GAGDHKCFXBCSPA-UHFFFAOYSA-N 360.295 3.208 0 1 FGAF O=C1Nc2cccc3c2[C@]1(CCN1CCN(c2ccccc2)CC1)CCC3 13531231 VJFKVFYLGTWIJL-HSZRJFAPSA-N 361.489 3.425 0 1 FGAF Cc1cc(C)nc(N2CCC(C(=O)N(C)CCc3ccccc3)CC2)n1 201487395 RONHJABNAJOBRA-UHFFFAOYSA-N 352.482 3.011 0 3 FGAF COc1cc(C=Cc2nnc3c4ccccc4cnn23)cc(OC)c1OC 1857742028 UMTVVMIBILUZBK-UHFFFAOYSA-N 362.389 3.474 0 1 FGAF Brc1cccc(COc2ccc3c(c2)CCc2nnnn2-3)c1 103217808 PFHIOUBSPYOYHE-UHFFFAOYSA-N 357.211 3.102 0 1 FGAF O=C(Nc1ccccn1)C(Br)(C(F)(F)F)C(F)(F)F 68573993 KDFSDTVOJDGLDO-UHFFFAOYSA-N 351.044 3.278 0 1 FGAF biogenic C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921281 KIEMOUKKVZROBN-LLVKDONJSA-N 359.360 3.482 0 3 FGAF O=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccn1 28397058 RVACAOYDDPOVDD-UHFFFAOYSA-N 360.416 3.309 0 1 FGAF CC(=O)N1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@H]1c1cccnc1 29245231 XCNCPBNOOUPZTL-ZWAJWSPZSA-N 350.447 3.182 0 1 FGAF COCCNc1nc(Nc2ccc(C(=O)OC)cc2)c2sccc2n1 61927676 MONWFTDTMKSGFG-UHFFFAOYSA-N 358.423 3.280 0 3 FGAF CC(=O)O[C@H]1CC[C@@H](CCCCCCCCCC[C@@H](O)CO)N[C@H]1C 34516838 MJPZKLRGLLDPRZ-NBYUQASBSA-N 357.535 3.313 0 1 FGAF biogenic,in-vitro O=C(OCc1ccccc1)[C@@H]1COC(c2cccc(Br)c2)=N1 49088294 SZGYYAXPWMXTAN-HNNXBMFYSA-N 360.207 3.338 0 1 FGAF O=C(CCCCCCCCc1ccccc1)CC(=O)N[C@H]1CCOC1=O 40899620 JMFMYHVOEXQLCU-IBGZPJMESA-N 359.466 3.351 0 1 FGAF O=C(O)[C@H]1CCCN(CC[S@](=O)C(c2ccccc2)c2ccccc2)C1 87697955 IOBMHUWWMYDGBP-AFMDSPMNSA-N 371.502 3.321 0 1 FGAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 195338745 SWMLFRMOWVYIDT-ZAOZBROWSA-N 362.510 3.135 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN2CCCC[C@H]2C1 253634564 DZQHCYXCIBSBAB-STQMWFEESA-N 351.878 3.068 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1nc2cc3c(cc2s1)OCCO3 587654177 PGFBFZICSRUDAX-UHFFFAOYSA-N 371.805 3.420 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(N)=O)cs2)N1 587848922 PYLVADBSXKIHQJ-JKYUHCHBSA-N 369.259 3.372 0 1 FGAF O=C(c1ccc(Br)o1)n1ncc2ccc(Cl)cc2c1=O 587650984 KCISVYPCFRHICQ-UHFFFAOYSA-N 353.559 3.094 0 1 FGAF CCOC(=O)Cc1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586908016 LNNGCIOFJICCTA-UHFFFAOYSA-N 350.374 3.307 0 1 FGAF COC(=O)c1cc2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2cc1OC 587239737 VZNBLGYGPKSRTN-UHFFFAOYSA-N 367.405 3.156 0 1 FGAF CCOC(=O)C[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425236 ANPZABZUVZCKGJ-VFNWGFHPSA-N 370.376 3.430 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc[nH]c2=N)N1 587707393 VGQXOJOIAFLKTD-SREIQFSDSA-N 371.641 3.068 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587236388 VVGOCVLYWLHNMJ-NTSWFWBYSA-N 362.149 3.194 0 1 FGAF Oc1ccc(C2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CC2)cc1 586898318 GHPQOBCGRUJRGF-UHFFFAOYSA-N 373.416 3.408 0 1 FGAF NC(=O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006086 GUUINYKTSMBTTC-UHFFFAOYSA-N 355.195 3.344 0 1 FGAF O=CNc1ccc2c(c1)[C@@]1(NCCc3nc4ccccn4c31)c1ccccc1-2 962988206 XGCGXMDZBGVKHF-QHCPKHFHSA-N 366.424 3.321 0 1 FGAF O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccncc1 11719590 PLNLYYXVWJWNGO-KRWDZBQOSA-N 354.360 3.353 0 3 FGAF CCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1 13600493 KUIFTXPDLTUUCL-UHFFFAOYSA-N 360.417 3.359 0 1 FGAF O=c1n(CCCCNCCc2cccc3ccccc23)c(O)c2n1CCC2 169725359 CIKAFPKBAOFJTC-UHFFFAOYSA-N 365.477 3.067 0 1 FGAF C[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccccc1Cl 26004937 FVEFNLKTYCLOKS-OALUTQOASA-N 360.816 3.471 0 1 FGAF Oc1nc2n(c3nc(Cc4ccccc4)nc1-3)C[C@@H](Cc1ccccc1)N2 101404810 JCTRHMJHUHZJMK-MRXNPFEDSA-N 357.417 3.111 0 1 FGAF CN(C)[C@@H]1CCN(c2nc(-c3cc(F)ccc3O)nc3ccccc23)C1 66102760 FPSVGXNYYZEPRE-CQSZACIVSA-N 352.413 3.282 0 1 FGAF O=C1COc2ccc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)cc2N1 35791895 KRLDRFIUSCFYTA-UHFFFAOYSA-N 367.340 3.139 0 1 FGAF CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 73161296 XCKWZWHQTKSVSW-UHFFFAOYSA-N 369.494 3.396 0 1 FGAF Cc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1 84731546 IFEWWVRHRCICRB-UHFFFAOYSA-N 360.219 3.021 0 1 FGAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4cncnc4)cc3=O)cn12 223395720 KAIDMJVKSRKNRB-UHFFFAOYSA-N 373.416 3.040 0 1 FGAF CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCSCC3)ncc2C)C1 82202606 OTTQCFJXSPWILW-XHSDSOJGSA-N 350.532 3.344 0 1 FGAF O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cccn1 299834209 QTYFGYPPYMJMNL-UHFFFAOYSA-N 362.433 3.461 0 1 FGAF C[C@H](NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1)C(=O)O 299841092 XVOUOYDYCXZUHD-ZDEQEGDKSA-N 370.371 3.314 0 1 FGAF Cc1ccccc1C(C)(C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587955033 IRQBNDWGZHYIBE-UHFFFAOYSA-N 357.479 3.448 0 1 FGAF C[C@]1(c2cccc(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531228 JUDRXYSREYFMQA-HXUWFJFHSA-N 371.458 3.093 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cn(CCN)c4ccccc14)[C@@H](C2)C3=O 587430349 GWHUGKPCTRMHDL-AOMKIAJQSA-N 362.429 3.271 0 1 FGAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)s1 587014709 OZEGQMBFVJXITA-JTQLQIEISA-N 365.480 3.496 0 1 FGAF COC(=O)c1cc2nc(-c3ccc(Br)cc3F)[nH]c2cn1 587142540 DTLNYFNMCFPDTG-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCC(N)=O)CC2=O 587472202 YTEVOIDNDUVFCB-NRFANRHFSA-N 369.417 3.089 0 1 FGAF NS(=O)(=O)Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586930951 WMHXMRATSVUVSY-UHFFFAOYSA-N 355.341 3.037 0 1 FGAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587171299 LKFNGPHECVWFJC-JTQLQIEISA-N 365.455 3.245 0 1 FGAF COC(=O)c1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)cc1F 963054412 ISAMKGUZXGFTRM-LJQANCHMSA-N 366.392 3.404 0 1 FGAF COC[C@@]1(CCCNC(=O)OC(C)(C)C)NCCc2ccc(F)c(C)c21 962377827 SPIAULVDKAJOHL-HXUWFJFHSA-N 366.477 3.426 0 1 FGAF CCO[C@H]1OC(C(N)=O)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO 13656540 JMYRBYPTMSCUHL-KSMMKXTCSA-N 361.463 3.136 0 3 FGAF COc1ccc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 15064133 SBRFTVNOFSJXGO-SFHVURJKSA-N 358.482 3.130 0 3 FGAF O=C(c1cccc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1 168075140 PJNXYVARQXFUAP-UHFFFAOYSA-N 351.381 3.257 0 1 FGAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@@H](O)C2=O 1857591706 YJKFINKKXCMYDY-SFHVURJKSA-N 360.406 3.130 0 1 FGAF CN(C)C(=O)c1cn(Cc2ccc(-c3cnn(C)c3)cc2)c2cccnc12 1857756940 NTVWDRSMFWFCMJ-UHFFFAOYSA-N 359.433 3.187 0 1 FGAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCO 2480224 LXJIQZAUGPBHAT-UHFFFAOYSA-N 370.380 3.269 0 1 FGAF COC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1 6820487 HGDALPRZWLDIIX-UHFFFAOYSA-N 374.418 3.145 0 1 FGAF Nc1nc(N)c2c(Cl)c([S@@](=O)c3ccccc3Cl)ccc2n1 59720594 HYUHULQWRJQJTF-JOCHJYFZSA-N 353.234 3.268 0 1 FGAF CCCCS(=O)(=O)/C=C\[C@@H]1[C@@H](S(=O)(=O)CCCC)[C@@H]2C=C[C@H]1C2 29749189 JXCBAZUXWWKMNG-KVFGDIINSA-N 360.541 3.121 0 1 FGAF CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O 117690688 YZNFLTVYWZJMHZ-MRXNPFEDSA-N 362.389 3.458 0 1 FGAF COc1cc2ccc(=O)oc2cc1OCC=C(C)CC[C@H](O)C(C)(C)O 2356480535 HNHWESMEELECRS-SFHVURJKSA-N 362.422 3.039 0 1 FGAF CC[C@@H](C)CCCCCCCCC(=O)N[C@H](CC(=O)OC)C(=O)OC 2356500546 XSWVXEKKEXEEKJ-HZPDHXFCSA-N 357.491 3.374 0 1 FGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1cccnc1 27864181 VFDFPKABMJTNBA-GOSISDBHSA-N 353.422 3.345 0 1 FGAF COC(=O)C1=C[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@H](C)O1 2356770532 ZLQMRLSBXKQKMG-RASHJEQFSA-N 352.434 3.179 0 1 FGAF CC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2 28235494 RUVNANCEFYIYHW-GOTSBHOMSA-N 364.489 3.353 0 1 FGAF CCCCc1ccc(N(CC(=O)O)C(=O)[C@H](C)CSC(C)=O)cc1 27735947 QRVPNSMLMPOHRT-CYBMUJFWSA-N 351.468 3.363 0 1 FGAF COc1ccc([C@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259673 YZCPEPBZYIZWJR-KZULUSFZSA-N 357.406 3.445 0 1 FGAF C#C[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C3(C[C@H]2C1)OCCO3 3849723 MQTQESZYELRKMR-SFJDDKPZSA-N 372.505 3.316 0 1 FGAF biogenic COc1ccc(CN=c2[nH]cnc3c2ccc2nn(C)c(C)c23)cc1F 1911576671 XUKURYICSAOJCY-UHFFFAOYSA-N 351.385 3.007 0 1 FGAF COc1cc2c(c(OC)c1OC)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C 14639601 GIEJSTKFXFRKCQ-CQSZACIVSA-N 371.433 3.179 0 1 FGAF biogenic COc1ccc(C)c2c1N[C@@](C)([C@]1(C)Nc3c(O)ccc(C)c3C1=O)C2=O 14649923 UKGKNTJQIKSVFU-NHCUHLMSSA-N 366.417 3.452 0 1 FGAF biogenic CCCCCSc1nc(N)cc(OS(=O)(=O)c2ccc(C)cc2)n1 43079004 WXRFEWLRSWVLIU-UHFFFAOYSA-N 367.496 3.417 0 1 FGAF C/C=C\C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 261096974 FNUWVXYJGBXLCT-UTCJRWHESA-N 350.378 3.316 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2N)N1 587737314 ZGMWQRLUSOSKTR-NXSYQRQQSA-N 354.198 3.328 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ncccc1C(=O)O)CC2=O 587485789 KMUHQKIASOIGAC-FQEVSTJZSA-N 355.390 3.405 0 1 FGAF Oc1nc(O)c2cc(CC3OCCCO3)c(-c3ccccc3Cl)nc2n1 587369263 XOCJJQJFJPICJV-UHFFFAOYSA-N 373.796 3.062 0 1 FGAF COC(=O)c1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586983376 BMLZJDYZTDQCPC-ZDUSSCGKSA-N 374.238 3.355 0 1 FGAF C[C@@]1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175025 VMJVDMAZWXJMLF-YJBOKZPZSA-N 354.341 3.054 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccnc2[nH]1 586984075 GUUWQGNDMSAUBN-AWEZNQCLSA-N 359.227 3.140 0 1 FGAF CC1=C(c2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)NNC(=O)C1 587176415 SSVQNANXVFHROK-UHFFFAOYSA-N 371.803 3.097 0 1 FGAF COC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806045 INZBSNXLOPSRMD-XXFAHNHDSA-N 356.235 3.291 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCC(O)CC3)cc1)O2 587396821 WIZALDLEPWYBMV-QFIPXVFZSA-N 366.461 3.419 0 1 FGAF O=C(Nc1nc(Cc2nc3ccc(O)cc3[nH]2)cs1)c1cccc(O)c1 587019339 KTUUWQPGFACWOM-UHFFFAOYSA-N 366.402 3.274 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)ncc2[nH]1 587224457 INIZOOCAPIJART-SNVBAGLBSA-N 364.327 3.060 0 1 FGAF COc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587772749 GUEICEYKBHCPIM-CLAHSXSESA-N 352.207 3.010 0 1 FGAF COc1cccc([C@]2(CCCC(=O)O)NCCc3ccc(O)cc32)c1OC 963328809 JIGBEORYBSUFAV-NRFANRHFSA-N 371.433 3.054 0 1 FGAF O=C([C@@H]1CSCN1C(=O)C[C@@H]1CCCc2ccccc2C1)N1CCCC1 13737613 ROGAPHOWRGLVQR-APWZRJJASA-N 372.534 3.096 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1C 1857585333 PHRVTCPRSAPGJD-UHFFFAOYSA-N 350.528 3.188 0 1 FGAF CN1C(=O)[C@@](O)(CC(=O)c2cc3c4c(cccc4c2)CC3)c2ccccc21 1857634486 ZHKCDTRBTLLFSK-HSZRJFAPSA-N 357.409 3.375 0 1 FGAF Cc1cc(C)n2nc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nc2n1 1857643470 LUOXHSIZEALSIX-UHFFFAOYSA-N 373.395 3.292 0 1 FGAF COc1ccc(C(=O)N2CCC3(CCCN(C(=O)NC(C)C)C3)CC2)cc1 4237940 MCNOZOGDEQJCQO-UHFFFAOYSA-N 373.497 3.131 0 1 FGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccnc1)CCCC3 28968801 IYWZZUSGMOJBHW-KRWDZBQOSA-N 365.433 3.299 0 1 FGAF C[C@H](Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1 28359578 ODVVVIWEQKZUKS-ZDUSSCGKSA-N 352.417 3.421 0 1 FGAF COCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987286 IWCFHNAKCXJGPF-UHFFFAOYSA-N 356.245 3.025 0 1 FGAF COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133504 DNXPJIHGPAOHDH-IYBDPMFKSA-N 368.481 3.320 0 1 FGAF C/C(=C\Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(C)c1)CC2=O)CO 238758607 WDYQMCNGMVWGAA-XCFSQICESA-N 370.401 3.299 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)c(OC)c(C)c3CN1CC2 238752987 JUKVDJSYYRHQDR-KRWDZBQOSA-N 355.434 3.382 0 1 FGAF COc1ccc2c(C(=O)C(=O)Nc3ccc(OC)nc3)cn(C(C)C)c2c1 653790491 OIYWBCWTEZOSEA-UHFFFAOYSA-N 367.405 3.456 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(CO)cc3[nH]2)c[nH]1 587060589 KAFSYXQBAYRXOR-UHFFFAOYSA-N 351.797 3.245 0 1 FGAF COC(=O)COc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399732 JQMGGNMJYJRNEF-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cnn(CC(C)C)c1)(C(F)F)[C@@H](C2)C3=O 587419478 CIWRNZZLLWOLPN-IFXJQAMLSA-N 362.376 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587441305 DMEUTMKMKQOHCF-QKKBWIMNSA-N 370.401 3.384 0 1 FGAF COC(=O)[C@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587445490 ZMKNAPBKZGMPJV-JIGPKXGUSA-N 364.397 3.389 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CC[C@@H](N)C3)nc2c1 587246839 PUROMPBKDQADTB-WCBMZHEXSA-N 352.232 3.097 0 1 FGAF Oc1nc(O)c2ccc(-c3cc(Br)c(F)cc3F)nc2n1 587367976 DWTZGFUOCMNQCR-UHFFFAOYSA-N 354.110 3.144 0 1 FGAF CS(=O)(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530850 HVGSJWCDUCETTL-OAQYLSRUSA-N 370.470 3.471 0 1 FGAF CCOC(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441590 LGLFIGRHDNPSFZ-IERDGZPVSA-N 352.386 3.291 0 1 FGAF CN1CCc2c(Br)cccc2[C@]12C[C@H](O)c1cccc(N)c12 963271948 YICHJJMJDJAXSE-WMZOPIPTSA-N 359.267 3.200 0 1 FGAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(CN2CCCC2)cc1)C1CC1 963955248 OMDOMAAJPFQKAZ-JOCHJYFZSA-N 350.510 3.157 0 1 FGAF CCCCN1C(=O)C[C@H](C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731462 WBWAIROHOVDOHM-RZRMAFQFSA-N 370.493 3.475 0 1 FGAF COc1ccc(OC)c(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c1 14644389 ASXMBDKZHRLCAJ-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(O)c3)c[nH]1)C(=O)N2 14962694 PFPJHXYCUWHBHV-MFOYZWKCSA-N 360.373 3.371 0 1 FGAF CC(C)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 1258887539 QSHKIOYWJUDTOY-UHFFFAOYSA-N 351.299 3.145 0 1 FGAF COC(=O)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 1625609 YPTQVZDDLXUIOB-INIZCTEOSA-N 360.406 3.220 0 1 FGAF CCOC(=O)c1nc2ccccc2nc1NCc1ccc(OC)c(OC)c1 1645528 JXWGYQCZHLZNOC-UHFFFAOYSA-N 367.405 3.436 0 1 FGAF COc1ccc(Nc2ncc(C(=O)N3CCOCC3)c3ccccc23)cc1 3894485 FHPCSLADPSRISM-UHFFFAOYSA-N 363.417 3.459 0 1 FGAF O=C1CC(=O)N(C2CCCC2)C(=O)N1CC1(c2ccc(Cl)cc2)CC1 101678020 RJFJGFJKAKRSNX-UHFFFAOYSA-N 360.841 3.495 0 1 FGAF CC(C)c1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl 103185255 TWNYGHAUCRNVKU-UHFFFAOYSA-N 353.757 3.320 0 1 FGAF O=C(O)c1ccc2c(c1)/C(=C/CN1CCOCC1)c1ccccc1CO2 100815906 QLXPNGUDTWNUHQ-CNHKJKLMSA-N 351.402 3.041 0 1 FGAF CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccncc1 115764858 UKKBXXOUTJWMLX-UHFFFAOYSA-N 353.426 3.128 0 1 FGAF CCN(CC)CNC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C 27519644 OEQQDJHWZBJNEH-KRWDZBQOSA-N 368.500 3.370 0 1 FGAF COc1cc(-c2nnc([S@@](=O)Cc3ccccc3)o2)cc(OC)c1OC 29123293 FTDSMBQLYJYSRY-AREMUKBSSA-N 374.418 3.070 0 1 FGAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@@H](C)[C@@H](O)c1ccc2c(c1)OCO2 2356682217 OVWAGJLFSLWWFE-JARDSOJUSA-N 358.390 3.183 0 1 FGAF N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2)C(=O)O 28527268 RQMJHVCNUOBABB-HNNXBMFYSA-N 364.323 3.017 0 1 FGAF C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC(C)=O)cc12 2021748 SVIZQPKPKOEWBC-UGCQDJOBSA-N 352.434 3.090 0 1 FGAF biogenic CN1CCN(CCOc2ccc3c4c(nccc24)-c2ccccc2C3=O)CC1 71341858 NWDIJOHBBCBVAQ-UHFFFAOYSA-N 373.456 3.072 0 1 FGAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCc1cccc2ccccc12 73277177 QOQJGYFMIRTDKC-FQEVSTJZSA-N 365.477 3.179 0 1 FGAF COc1cc(=O)oc2ccc(CN3CCN(c4ccccc4C)CC3)cc12 42922043 GFFPWNULKPEIHP-UHFFFAOYSA-N 364.445 3.432 0 1 FGAF Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3F)n(C3CC3)c(=O)c12 88345642 RNMQTIXMUZUZOE-NSHDSACASA-N 353.401 3.329 0 1 FGAF CCC[C@H]1Oc2ccc(Br)cc2[C@]2(C=C(N)OC2)C12COC2 220712925 RUHVORVUASWLJD-GDBMZVCRSA-N 366.255 3.095 0 1 FGAF COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC 223235832 LCSIESIOMOMQNH-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O 138170729 CIFSFWXXEKNPDB-UHFFFAOYSA-N 355.419 3.068 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc2cccnc12 95577584 QSYJILKWYMPMRH-RBBKRZOGSA-N 372.472 3.065 0 1 FGAF C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473085534 XMCQBEJBDBCTHO-GFCCVEGCSA-N 369.812 3.127 0 1 FGAF COC(=O)[C@@H]1C=C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587809041 PULLZIOPKWOZQE-XIZWVBILSA-N 354.219 3.067 0 1 FGAF O=C(O)Cc1cccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 587560119 BLYSRTZPFVLEFM-UHFFFAOYSA-N 373.368 3.397 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 586915763 HNKXLKVNPNXFLI-QGHHPUGFSA-N 372.475 3.147 0 1 FGAF Cc1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 586953452 OWJYFYLJTBEPCT-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776193 BRQNPDSZPDCIFD-QLJPJBMISA-N 350.235 3.484 0 1 FGAF C[C@@]1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587157350 SSMTUNKQIUFQIH-WMZOPIPTSA-N 353.357 3.217 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Cl)ccnc4[nH]3)cc12 587037003 CYVYLTJUENMKPG-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c[nH]c(=N)[nH]c-2n1 587035317 RTHQGKAQUWWAER-LLVKDONJSA-N 366.450 3.203 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c[nH]nc32)N1 587793031 JGBMOZUOVMPRGZ-JDNHERCYSA-N 350.235 3.425 0 1 FGAF O=C(O)CCCCONC1=CCCOc2ccc(Br)cc21 957575757 LVYMWMOUJCYQOJ-UHFFFAOYSA-N 356.216 3.349 0 1 FGAF CCOC(=O)[C@@H]1CCOCC[C@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962953090 PSLKGMSGXYSYLM-LFRPXUGBSA-N 356.466 3.277 0 1 FGAF CO[C@@H]1COCC[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962639351 QDFZLKSQXZODHA-WWNPGLIZSA-N 364.489 3.064 0 1 FGAF Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccco3)nc12 1772603365 PAERJGTURZDOCC-UHFFFAOYSA-N 353.407 3.289 0 1 FGAF C[C@@H]1NC(c2ccc(Br)cc2)=Nc2nc3ccccn3c2[C@H]1O 1772581887 ZCKORNGDVLYMSW-BONVTDFDSA-N 371.238 3.200 0 1 FGAF NC(=O)c1cnc(Nc2ccc3n[nH]cc3c2)cc1NCc1ccccc1 1772570859 MLCCBIGYVHDJCI-UHFFFAOYSA-N 358.405 3.413 0 1 FGAF CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2ccccn2)C1 1772626250 RAIPQLGDNRXVJX-UHFFFAOYSA-N 361.449 3.283 0 1 FGAF CC(=O)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651126 WWHAQAMTPUUDGC-IBGZPJMESA-N 360.413 3.388 0 1 FGAF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709149 REJFSGIXPXYPPU-YWZLYKJASA-N 369.465 3.335 0 1 FGAF CN1CCN(c2ccc(-c3cn4c(-c5ccccc5)cnc4cn3)cn2)CC1 1857610775 TWFORWYQLUOFHE-UHFFFAOYSA-N 370.460 3.210 0 1 FGAF COc1c(NC(C)=O)c(OCCN2CCCCC2)c(OC)c2occc12 1845003 NSCLDYGJWOQKCP-UHFFFAOYSA-N 362.426 3.273 0 1 FGAF COc1cc(O)cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)c1 2356359731 RLPSCTFWRRFZRG-JSJNYSNDSA-N 358.390 3.190 0 1 FGAF CN1CCSc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21 6802418 UITDPRKVHIHZCL-UHFFFAOYSA-N 353.491 3.191 0 1 FGAF CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@@H]2C1=O 103260460 IZLAOVPUDFOWQL-PMACEKPBSA-N 367.493 3.285 0 1 FGAF O=C(Cc1ccc2c(c1)OCO2)c1ccccc1C(=O)N1CCCCC1 26254825 QFNVBYARSVGNHS-UHFFFAOYSA-N 351.402 3.467 0 1 FGAF CCCCN(C)c1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242200 NZKWELHADKRVPQ-IYBDPMFKSA-N 355.486 3.490 0 1 FGAF CC(C)(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccccc1 28567746 ZEERDWMVTLJKPH-UHFFFAOYSA-N 363.505 3.393 0 1 FGAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncnc5)cc34)nc12 28950069 BIQVQJNGLKCTKT-UHFFFAOYSA-N 357.377 3.105 0 1 FGAF CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1 28379514 AFONTALJVCJYHK-UHFFFAOYSA-N 351.424 3.354 0 1 FGAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@H]12)[C@]31CCC(C(=O)O)=C1C4 2356423633 IKXSZLFDAMZVFG-NLWWONFHSA-N 355.482 3.490 0 1 FGAF CCCCC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(=O)O 2356430301 IXAQOQZEOGMIQS-OTWHNJEPSA-N 352.471 3.129 0 1 FGAF CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1F 38224644 OCUYCOQPRGFQEV-UHFFFAOYSA-N 368.416 3.472 0 1 FGAF in-vitro CC(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 43073614 VZZZUOBHFYVCJO-KRWDZBQOSA-N 365.433 3.100 0 1 FGAF COC(=O)c1cc2c([nH]c3ccccc32)c(I)c1O 138735330 KIXXDJHHGHSOSY-UHFFFAOYSA-N 367.142 3.418 0 1 FGAF CC(=O)[C@]12C[C@@H](C)[C@](CO)(CC/C(=C/CO)CO)[C@H]1CCCCC2(C)C 95914509 WISUTYKMYIPDLH-RQSXGEAWSA-N 366.542 3.488 0 1 FGAF biogenic,in-vitro Nc1ncc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CCCC1 473102923 LRZNSFXVYFIIFI-UHFFFAOYSA-N 350.344 3.417 0 1 FGAF C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnoc3)ncc2Cl)c1 473101594 KBAIVKXSSYAVIQ-UHFFFAOYSA-N 370.800 3.020 0 1 FGAF COc1cncc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587167718 BNHYOFHJYXQXHB-UHFFFAOYSA-N 350.357 3.231 0 1 FGAF Oc1ncnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985216 SKBOEORQVLALSM-ZDUSSCGKSA-N 374.242 3.006 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CN(C)C)o1 587871935 QCNWWUYGTWPZLN-UHFFFAOYSA-N 357.385 3.431 0 1 FGAF COC(=O)C[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587513681 DUUGNALCUVFSTC-NRFANRHFSA-N 351.402 3.384 0 1 FGAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(O)ncnc2[nH]1 587122849 ZODXINYBPNMICG-UHFFFAOYSA-N 361.283 3.481 0 1 FGAF COc1ccc([C@@]2(CCN(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428845 LQEZOBGBTSVVHY-XMSQKQJNSA-N 367.445 3.298 0 1 FGAF Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Cl 587651056 ANOGNQLPIHZLTQ-VIFPVBQESA-N 351.193 3.110 0 1 FGAF NC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587004891 BKFPFIKMPAZFOG-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc[nH]c2=N)N1 587707132 UFPAWOHQVDEHCB-SREIQFSDSA-N 371.641 3.068 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 587787969 YKTBXPXULSBNSL-CPUCHLNUSA-N 350.378 3.230 0 1 FGAF CN(C)CCOc1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586881579 XMAARLQFOYXYQA-JXMROGBWSA-N 351.406 3.372 0 1 FGAF COC(=O)C12CC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587591822 HQJBUNOLQZMNFY-KMILZZDPSA-N 366.369 3.066 0 1 FGAF O=C1COc2cc3[nH]c(-c4ccc5nc(C(F)(F)F)[nH]c5c4)nc3cc2N1 587120773 VEXBOLAARXVBRR-UHFFFAOYSA-N 373.294 3.456 0 1 FGAF Cc1c(Br)ccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 586966265 CZKPKZUWGWUHDQ-UHFFFAOYSA-N 367.228 3.127 0 1 FGAF COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1C(=O)c1ccccc1 13833650 SGUMDAUVFBPSNU-RHSMWYFYSA-N 357.793 3.438 0 1 FGAF CC(=O)N[C@@H](C)CO[C@H]1CC[C@H](Oc2ccc(OC(C)C)nc2)CC1 101381595 CAVRJORLAWGDBN-BHYGNILZSA-N 350.459 3.100 0 1 FGAF Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 1857569397 GHFFPJZJSQTZFV-LBPRGKRZSA-N 353.216 3.147 0 1 FGAF Brc1ccc(N(CC2CC2)C2=NCCN2)c(Br)c1 28230978 YODRMMSDTSMIHD-UHFFFAOYSA-N 373.092 3.387 0 1 FGAF CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2 1486036 DIAFBFSXYSSZKC-UHFFFAOYSA-N 364.380 3.427 0 1 FGAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C 1655273 SDADZOKIHXSRSR-WIRORWGXSA-N 354.487 3.498 0 1 FGAF O=C1c2cccnc2S(=O)(=O)N1c1ccc(Oc2ccccc2)cc1 1862025 QWAKAYWWRRVGAU-UHFFFAOYSA-N 352.371 3.223 0 1 FGAF CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n2c1nc1ccccc12 1862316 HZBQIKJOGZMPDN-UHFFFAOYSA-N 367.792 3.469 0 1 FGAF COc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)c1 4238243 FPEHNUVOQMINHG-UHFFFAOYSA-N 374.400 3.344 0 1 FGAF N=C(N)c1ccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1 58631524 LRMPNDUSMWYCMH-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF in-vitro Cc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937880 PIFJXKYJXNZXRB-IRLDBZIGSA-N 354.469 3.321 0 1 FGAF CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 27981186 ASSFTGNZZQBCNK-LSOWFSJTSA-N 362.466 3.169 0 1 FGAF CCCCC[C@@H](O)C=CC1=C(CC=CCCCC(=O)O)C(=O)O[C@@]1(C)O 2356529043 RAQOIYLDXSAKSS-FOIQADDNSA-N 366.454 3.247 0 1 FGAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1OC(F)(F)F 116343947 KGMGEZRXBPHRRH-UHFFFAOYSA-N 358.320 3.464 0 1 FGAF CC1=Cc2ccc3c(c2CN1[C@@H](CC(C)C)C(=O)O)O[C@@H](C(C)(C)O)C3 2356850922 QBWKCFRZKSLFEQ-ZWKOTPCHSA-N 359.466 3.437 0 1 FGAF COc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1OC 71315887 ABMFLIQWDPZTAQ-XBXARRHUSA-N 366.417 3.263 0 1 FGAF CC(=O)S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)c(Cl)c2)C1=O 1911573082 USHGCEGAGSSTIA-SNVBAGLBSA-N 367.732 3.150 0 1 FGAF C[C@@H](C1CCN(Cc2c(Cl)cncc2Cl)CC1)N1CCN(C)CC1 77490050 YSUODSXLKHOZOW-AWEZNQCLSA-N 371.356 3.236 0 1 FGAF CN1O[C@@](C)(CC(=O)NCc2ccccc2)N=C1c1cccc(Cl)c1 74374168 ACVKQBJNXJFNAN-IBGZPJMESA-N 357.841 3.386 0 3 FGAF Cc1ccc(N)cc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 198922265 GYJBXLQBUOITRC-UHFFFAOYSA-N 373.504 3.280 0 3 FGAF COc1cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc2nc(N)oc12 96934805 UZBGNFJRRXGMOV-INIZCTEOSA-N 350.378 3.116 0 1 FGAF Cc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)cc1 95576192 RHPUHEVTHYOECN-FQEVSTJZSA-N 353.466 3.344 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1O 587868241 XWOXFVPXGOQEEJ-UHFFFAOYSA-N 363.295 3.367 0 1 FGAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)sc2c1 587035364 PKJOPJDUOYZCGL-UHFFFAOYSA-N 352.375 3.179 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c1nc(Cl)cc3=O)CC2=O 587463391 YPHBQCNDHHOYSK-LJQANCHMSA-N 372.808 3.290 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587201955 DMIINZUVUWTMRV-GFCCVEGCSA-N 374.784 3.054 0 1 FGAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cccc(F)c12 587635767 RJDUIXUTBBIIAE-INIZCTEOSA-N 360.429 3.404 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 587401177 TYGGXJKHCZMACA-BXJCWQANSA-N 358.438 3.311 0 1 FGAF COc1ccc(C[C@@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1OC 587925717 HHXMRJXTBMIWSZ-MRVPVSSYSA-N 362.480 3.294 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(C)cc31)O2 587408309 LONJNWNQQLIKGO-FQEVSTJZSA-N 351.358 3.107 0 1 FGAF CCCCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594737 IFUXRONDZXBQED-OXQOHEQNSA-N 356.374 3.456 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587400066 OVNORJYBMVENQJ-DLTLXFJOSA-N 358.438 3.024 0 1 FGAF COc1cccc([C@]2([C@H]3CC[C@@H](C(=O)O)C3)NCCc3ccc(O)cc32)c1 963353769 SNXXSGSTFQRQDE-ULYRPOKDSA-N 367.445 3.291 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CCc3c1ccc(OC)c3N)N(C)[C@@H](C)C2 962619813 HEZYDOZLKIZEFZ-XMHCIUCPSA-N 368.477 3.361 0 1 FGAF CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)NCCc1c(C(=O)O)cccc12 963135169 XHFJMPJZBNHEQX-HXUWFJFHSA-N 355.390 3.038 0 1 FGAF COc1ccc(F)cc1[C@@]1(C(=O)O)c2ccc(F)cc2C[C@H]2CCCN21 963096284 DDTWTNMISIFAST-FOIQADDNSA-N 359.372 3.322 0 1 FGAF COc1cccc2cc3c(nc12)[C@H](c1cc(F)cc2c1OCOC2)NCC3 963049033 AHZFCAPTRBSFNH-FQEVSTJZSA-N 366.392 3.484 0 1 FGAF COc1ccc(CC(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 12358306 CVLDONNYRQMBOV-UHFFFAOYSA-N 367.323 3.271 0 1 FGAF O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccn1 12714141 PEVNFLNGRYQRLA-INIZCTEOSA-N 354.360 3.353 0 3 FGAF COc1ccc(C2=NNC(=O)[C@H]3CC=CC[C@@H]23)c2c1OC1(CCCC1)C2 13474149 NMGSQEBMRHQDOG-HIFRSBDPSA-N 352.434 3.359 0 1 FGAF Cc1nnn(C23C[C@H]4C[C@H](CC(CC(=O)Nc5cccc(F)c5)(C4)C2)C3)n1 13574174 MBTDZIFTBPGHFA-JNKARSBBSA-N 369.444 3.445 0 1 FGAF CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C(=O)O)cc2)cc1 13835086 RUSRIBZOLVRTBV-AWEZNQCLSA-N 361.463 3.483 0 1 FGAF CN(C)CCCOc1ccc2nc(O)n(-c3ccc(N(C)C)cc3)c2c1 169326295 WQWBCYHHGIGHTP-UHFFFAOYSA-N 354.454 3.128 0 1 FGAF CC1=NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 169685541 ANFRYCSWUISTKS-SJORKVTESA-N 365.368 3.182 0 1 FGAF CCCCNCc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1 1857569203 VHCABTAXAXOQFY-UHFFFAOYSA-N 370.478 3.217 0 1 FGAF CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N 1860143 RBACGIUXMJCBBM-UHFFFAOYSA-N 352.485 3.162 0 1 FGAF O=C(NC1CCCC1)c1cnn(-c2ccc(F)cc2F)c1C1CCNCC1 7000392 KZJFLAXBTCLLON-UHFFFAOYSA-N 374.435 3.290 0 1 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@H]1c1cc(OC)ccc1OC 101934617 RUPNDQNZLDGKRC-UYTDBDHRSA-N 358.398 3.105 0 1 FGAF COc1ccc(C2=NO[C@H](Cc3ccc(OC)c(OC)c3)C2)c(OC)c1 103213593 ADKYATGFGFOTNA-OAHLLOKOSA-N 357.406 3.457 0 1 FGAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C)C(=O)C1CC1 61904080 PYCITGWCYGFXNU-UHFFFAOYSA-N 352.438 3.150 0 3 FGAF COc1cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1O 64516370 WUKXEZDYZZLYAG-OAHLLOKOSA-N 359.378 3.292 0 1 FGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13CC[C@@H](C[C@H]21)[C@@H](CO)C3 2356470231 TXELHOYJNPPLEM-ZGLMXJTLSA-N 350.455 3.013 0 1 FGAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@@H]3COC(=O)O3)CC[C@H]12 2356554931 BXFOOWNZKVTNCW-RELAMMAJSA-N 364.482 3.434 0 1 FGAF CC(C)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](CC1CCCCC1)N2 82224331 CMXZRSNBVUAYJF-INIZCTEOSA-N 362.518 3.423 0 1 FGAF CCn1nccc1-c1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12 44459878 INAGORZAOFUKOZ-UHFFFAOYSA-N 374.448 3.397 0 1 FGAF in-vivo CN(Cc1ccc(-c2nc3c(c(=O)[nH]2)CSC3)cc1)Cc1nccs1 91664916 CWZIBHJHFDUJGU-UHFFFAOYSA-N 370.503 3.272 0 1 FGAF Cc1ccc2nc(C)c3nnc(-c4cc(C5(O)CCC5)ccc4F)n3c2n1 145782407 VTRFAKGBUDJZNQ-UHFFFAOYSA-N 363.396 3.467 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2ccc(C)nc2[nH]1)C(F)(F)F 587091461 DGRNJMWUWXTXLE-INIZCTEOSA-N 350.344 3.430 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(O)ccc41)[C@@H](C2)C3=O 587436083 LKGZAVDPPSLZTL-QKKBWIMNSA-N 351.402 3.411 0 1 FGAF FC(F)c1c(-c2nc3cccc(Br)c3[nH]2)cnc2ncnn12 587129344 WUNPHSHQXOEAAD-UHFFFAOYSA-N 365.141 3.368 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccnc(Cl)c3[nH]2)CCC(=O)CC1 587234771 VKQPDSURTLVIPW-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587489786 PBPRCYMEPNMEJY-PZVFOTJXSA-N 372.417 3.139 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccnn1CC)CC2=O 587475439 LVWNKDJHEWEKFR-ZOXUKVPXSA-N 369.465 3.497 0 1 FGAF COC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174077 LOALHQFLKBWPQA-LJQANCHMSA-N 354.337 3.117 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 587119149 YZNJXFUXLDLXAU-UHFFFAOYSA-N 352.316 3.088 0 1 FGAF [O-][n+]1ccccc1SCc1nc2cc(Br)c(F)cc2[nH]1 586969432 KTYFFMDIJYUYHY-UHFFFAOYSA-N 354.204 3.390 0 1 FGAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587407792 JDUXDDJKYVMIDC-FQEVSTJZSA-N 351.358 3.107 0 1 FGAF CCCn1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699550 PDSLXKIPYXUPAB-LSDHHAIUSA-N 371.334 3.139 0 1 FGAF CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H](O)CC[C@]32C)[C@@]1(C)CCCO 1772651015 SCPDKFRSIXYWQQ-CLIKDFRBSA-N 368.558 3.110 0 1 FGAF COc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1OC 1772572926 DCIGANCMEFZREV-UHFFFAOYSA-N 367.357 3.388 0 1 FGAF CN(C)[C@H](Cc1ccccc1)c1ncc(C(=O)c2ccccc2NC=O)o1 13311509 OUPZTQXGGFQPRA-GOSISDBHSA-N 363.417 3.319 0 1 FGAF biogenic CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(Cc2ccccc2)c1=O 13612891 WYOIQJXDUHZUAN-UHFFFAOYSA-N 352.438 3.002 0 1 FGAF CCN(CC)Cc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1 1857541646 SNPTXDKRQKLKGA-UHFFFAOYSA-N 370.478 3.169 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@@H]1O 2356344534 BMAOWSPJJLOKGM-BMFAXAFESA-N 360.491 3.235 0 1 FGAF COCCNc1nc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 2452318 YRTIJOQWLIIAJJ-UHFFFAOYSA-N 369.421 3.381 0 1 FGAF CCOC(=O)c1ccccc1N/C(O)=C/c1nc2ccccc2nc1O 100703687 FYVQMXNPHQSTPK-BOPFTXTBSA-N 351.362 3.481 0 1 FGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)c1ccccc1 61922168 MFLNKLWALMUZQW-LBPRGKRZSA-N 352.369 3.292 0 3 FGAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1 116821565 NSYQEJAIIUUYDV-KDURUIRLSA-N 372.472 3.455 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29466041 UGPOMYIOAGJKAA-NMTKDPIHSA-N 355.478 3.206 0 1 FGAF CC1=C[C@H](O)[C@@H](O)C=CC=CC=CC=CC=C[C@@H](C)CNC(=O)C=CC=C1 2356326047 UCCPCDUFJCGUEI-FSSWDIPSSA-N 367.489 3.314 0 1 FGAF C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2c(cnn2Cc2ccco2)[nH]1 23541932 GZTYCZZGKXQHCQ-LBPRGKRZSA-N 350.378 3.476 0 1 FGAF COC[C@@H]1CCCN1C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O 2356543388 PMBGUKOWCAZNIX-FZMZJTMJSA-N 364.829 3.299 0 1 FGAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1cc(F)c(F)cc1F 2356619120 TZPTUAWEUAEZGN-UGSOOPFHSA-N 354.416 3.369 0 1 FGAF COc1cc2cc3[n+](cc2cc1OC)CCc1c-3ccc(OC)c1OC 32303353 HGWXXBABBKZKDT-UHFFFAOYSA-N 352.410 3.385 0 1 FGAF CCCCn1nnnc1[C@H](CC)N1CCN(C/C=C/c2ccccc2)CC1 72139973 DYXWGCLNHUSWHE-JTPHSUOKSA-N 368.529 3.255 0 3 FGAF CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(CN)cc3)c(=O)oc12 43175492 OUONONTYGQGSHC-UHFFFAOYSA-N 366.417 3.465 0 1 FGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82133926 OIJRHFPZSIFZRP-HOTGVXAUSA-N 368.481 3.002 0 1 FGAF CN1CCC([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587584440 YBRHPJDHSFXLLW-NQIIRXRSSA-N 353.418 3.454 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C(=O)c1ccccc1Br)[C@@H](C2)C3=O 587411217 CEUVBMYVQNFKPO-KPZWWZAWSA-N 373.202 3.457 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCC(=O)O)[C@@H](C2)C3=O 587421062 RNAUATWMVWOFLH-DJJJIMSYSA-N 374.776 3.301 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cnn(C)c3)nc1)CC2=O 587474359 FKFDIQQBTDXVFY-GOSISDBHSA-N 364.405 3.242 0 1 FGAF COc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)nn1-c1ccccc1F 587157107 VZBUXDVYFCXRDZ-UHFFFAOYSA-N 370.315 3.401 0 1 FGAF CCCOc1cc2nc([C@H]3CSCC(=O)N3)[nH]c2cc1Br 587043815 NNNVBTAFHLJDMZ-LLVKDONJSA-N 370.272 3.018 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COC2CCOCC2)N1 587836477 VSAOTICHOBNOTE-HZMBPMFUSA-N 358.251 3.359 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CC[C@H]1CCCN1C 587869102 BGTPTWBAGCZVME-CYBMUJFWSA-N 354.376 3.457 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(=O)NC)c1)CC2=O 587471632 USGAEPXTZHCBGN-LJQANCHMSA-N 369.417 3.176 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(N3CCOCC3)c1)O2 587383208 ZBSIXSBBVVRFJH-LJQANCHMSA-N 356.397 3.259 0 1 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772635768 UJSRVEDYPGXCMK-SNVBAGLBSA-N 354.370 3.019 0 1 FGAF O=C(CC[C@@H]1CCCN(c2ncccn2)C1)NCc1ccc(F)c(F)c1 12202941 NLKPBPPHSDTHHE-AWEZNQCLSA-N 360.408 3.068 0 3 FGAF C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 13742666 GFJNMDSESLEGMQ-IFXJQAMLSA-N 361.869 3.451 0 1 FGAF CCNc1ccccc1C[S@@](=O)c1nccn1-c1ncccc1OC 13746200 AHWBQKUYWJTFRX-VWLOTQADSA-N 356.451 3.016 0 1 FGAF CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150278857 RUSMWNFLWLNSRI-KRWDZBQOSA-N 373.497 3.028 0 1 FGAF COC[C@H](COc1cccc2cnccc12)NCc1ccc(OC)cc1 169329848 SCZODOADOXIUTM-GOSISDBHSA-N 352.434 3.427 0 1 FGAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1ccc(C(C)(C)C)cc1)CC2 1857654265 KXEBOHGXZPDVPO-UHFFFAOYSA-N 367.541 3.379 0 1 FGAF COc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3)c2=O)c1 3910135 DQNLHIHFMRVVET-UHFFFAOYSA-N 364.426 3.271 0 1 FGAF Cn1c(-c2nccc3[nH]c(N)nc23)cc(Br)c1Br 28705353 SBFHXKVQJHTMRL-UHFFFAOYSA-N 371.036 3.071 0 1 FGAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 61902887 SDQGSDFYPSHUOE-NRFANRHFSA-N 367.449 3.252 0 3 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3N=CNC(=O)[C@@H]32)cc1 64446755 YCQVEVOYEWUITM-XQBPLPMBSA-N 358.397 3.473 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCC1 26473093 DOFJKSFPLOUYMN-FLLWYEDFSA-N 370.468 3.321 0 1 FGAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(Cl)c2)c1 114078644 KUZFJXVHEYBFPA-UHFFFAOYSA-N 369.856 3.109 0 1 FGAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(CCO)CC2)sn1 28250947 UHVRTEUPZOLQRU-HXUWFJFHSA-N 359.539 3.274 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)C2=C1[C@H](C)C[C@@H]1OC(=O)[C@@H](C)[C@H]1C2 2356484733 GDSQXEJVFDDBEU-QCXNPQCESA-N 350.455 3.003 0 1 FGAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1ccnc(Cl)c1)C2 2356589287 WOAWDSQBZABTFO-OAHLLOKOSA-N 371.824 3.415 0 1 FGAF O[C@@H](CO[C@@H]1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1 219722501 QRQUUBYCEQWSIG-DHIUTWEWSA-N 366.505 3.091 0 1 FGAF COc1cc2c3c(c1OC)-c1c(cc(O)c(OC)c1O)CC[C@H]3N(C)CC2 14645571 QZMVBJGBNBAWHP-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic COc1cc(-c2cc(=O)c3ccc(OC)c(O)c3o2)cc(OC)c1OC 14645311 HTUAAJBUIBPCOA-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic CN1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1 45259502 CNDPSXABBRVWIU-UHFFFAOYSA-N 352.482 3.105 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCC3CCCCC3)co2)cc1 82070486 JULPWTFOKYGDML-HNNXBMFYSA-N 369.465 3.465 0 1 FGAF CCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40408029 GEVYBKIWECOTKX-UHFFFAOYSA-N 367.501 3.332 0 1 FGAF COc1c(OC)c2c3c(c1OC)[C@H](O)CN[C@@H]3C(C)(C)c1ccccc1-2 147219129 LGQWKWCRVZSCKZ-XCLFUZPHSA-N 355.434 3.348 0 1 FGAF Cc1ccccc1-c1cc2cnc(NN3C[C@H]4C=CC[C@@H]4C3)nc2n(C)c1=O 141630851 PTXLQZFTKJZNMK-HZPDHXFCSA-N 373.460 3.139 0 1 FGAF in-vivo CC(C)n1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)nn1 142837792 BANSICLGZKNWNQ-UHFFFAOYSA-N 364.453 3.007 0 1 FGAF CC1=Nc2nnnn2[C@H](c2ccc(O)cc2)/C1=C(\O)OCc1ccccc1 618007108 BMNSXOQSRVJUID-GROYHEBESA-N 363.377 3.061 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586899034 WBILCCDOCBBBPA-UHFFFAOYSA-N 371.462 3.065 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)CCC(=O)O)N1 587827312 KIDNDKLOXZYINB-JDNHERCYSA-N 372.234 3.162 0 1 FGAF COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441282 DHJIPANUVXOBSL-CFTTWAEZSA-N 352.386 3.147 0 1 FGAF Cc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 587037341 HTTJQECJXAHRLQ-JTQLQIEISA-N 354.439 3.014 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587159127 ZSKMNXJFWHXGQR-FQEVSTJZSA-N 366.396 3.195 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cc(Cl)ncc3[nH]2)C(F)(F)F)n1 587094941 WSXBUQROMFEPCW-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF C[C@H](c1nc2c(N)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128163 GXIIPTOWISBYNQ-GSVOUGTGSA-N 363.706 3.270 0 1 FGAF O=C(Cc1ccccc1)NCCc1nc2cccc(OC(F)(F)F)c2[nH]1 587228846 SBKBQAXIFWDRLK-UHFFFAOYSA-N 363.339 3.363 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C 586933359 QADAONFLSKEMFX-NSHDSACASA-N 358.895 3.336 0 1 FGAF COc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cn1 587199087 ZDTYUKKJEGRKPO-UHFFFAOYSA-N 373.416 3.492 0 1 FGAF Cn1cc(C(=O)c2ccccc2F)cc1[C@@H]1NCCc2nc3ccccn3c21 962985430 OZJBVNQZZKCRLD-FQEVSTJZSA-N 374.419 3.278 0 1 FGAF CC1(C)CNC(=O)C[C@@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962696451 FJGJZQYJXOLOMR-VBKZILBWSA-N 362.514 3.321 0 1 FGAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1 1772612340 HEZHOLUAZMQEBN-NRFANRHFSA-N 366.461 3.078 0 1 FGAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)O)=C2 13553862 RJEKJGXVGKLMFE-GOSISDBHSA-N 372.373 3.323 0 1 FGAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C2CCCCCC2)CC[C@]314 169341406 WAQRKTFLMCNKNB-JIAAILLZSA-N 367.489 3.291 0 1 FGAF CCC(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 167843930 XVEVTFRDAHRZJF-NHCUHLMSSA-N 352.478 3.191 0 1 FGAF O=C(/C=C/c1cnc2[nH]cc(-c3cccnc3)c2c1)NCc1ccncc1 1857583968 VFLAIXNPQWUKOZ-ONEGZZNKSA-N 355.401 3.350 0 1 FGAF COc1ccc(CC(=O)N2CCC3(CC2)OCc2ccccc2O3)cc1 1857612037 UUISFDFSOMKOSP-UHFFFAOYSA-N 353.418 3.166 0 1 FGAF O=C(c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1)N1CCCCC1 3629989 YCKJJGSIMSTFOV-UHFFFAOYSA-N 365.458 3.301 0 1 FGAF COc1ccc(C(=O)[C@@H](NNc2ccc(F)cc2)C(=O)C(F)(F)F)cc1 103180442 BTLFMMXAJWURPY-CQSZACIVSA-N 370.302 3.134 0 1 FGAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)c(N)c1 29479226 QQGPPWZQOFNKHG-UHFFFAOYSA-N 370.766 3.195 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(O)cc4)ccc31)[C@H]1CC[C@H](C2)N1 100632243 DSRXSTGJFQEAOY-SJKOYZFVSA-N 368.458 3.066 0 1 FGAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1 21289852 ANWALZPQHPAZFO-UHFFFAOYSA-N 366.440 3.474 0 1 FGAF in-vivo O=c1[nH]c(N2CCC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1 28708048 QJAPWUPTHIMARS-GOSISDBHSA-N 361.445 3.038 0 1 FGAF CC(=O)CC[C@H](C=C[C@](C)(O)C[C@@H](O)C=C(C)CCC(=O)O)C(C)C 2356744014 UUPXPGYKZYACRW-HBFSDRIKSA-N 354.487 3.497 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2C[C@@H](O)[C@]24CN(C)C[C@H]2CC[C@@H]43)C1 2356767785 HQTAZQNFEIWFII-YTSJMCIZSA-N 358.570 3.440 0 1 FGAF CC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1 71318157 DXPKSDRAYXJNIA-UHFFFAOYSA-N 374.448 3.186 0 1 FGAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1OC)CC2=O 14643262 HZWSAUOBLMSNPL-HNNXBMFYSA-N 374.389 3.436 0 1 FGAF biogenic COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 82147298 XNMWMNMSMRBYEN-UHFFFAOYSA-N 368.481 3.065 0 1 FGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(F)c(Cl)c2)C(=O)O1 40845517 KAELNCPCBLGJNR-NORHQAJESA-N 370.804 3.130 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 199267397 OEONDOIAFNFGGC-VQIMIIECSA-N 364.445 3.072 0 3 FGAF O=C(OCC1=CCN2CC[C@@H](C(=O)Oc3ccccc3)[C@H]12)c1ccccc1 238742309 LLISWLUHXODGLO-UXHICEINSA-N 363.413 3.080 0 1 FGAF COc1ccc([C@@H](c2cc3c4c(c2)CCN4C(=O)CC3)n2ccnc2)cc1 95555686 DUGRTHFSQYWGTH-NRFANRHFSA-N 359.429 3.365 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccn(C)n3)c2cn1)c1ccccc1 261179743 VUPVOEJIDWQTSF-GFCCVEGCSA-N 361.409 3.241 0 1 FGAF Cc1nc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)co1 261187554 XXLOHULFDLSOBC-FNDUUJAJSA-N 365.405 3.296 0 1 FGAF Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4ccccc4)[C@@H](C)C3)c12 299818632 AFUATWMQZAOHQC-AWEZNQCLSA-N 350.426 3.009 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cnccc1C)[C@@H](C2)C3=O 587436842 UVHNWYRWXCJSNU-HTAPYJJXSA-N 358.397 3.485 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cncc(OC)c2[nH]1)C(F)(F)F 587092910 OTARAIKVCUVARK-MRXNPFEDSA-N 366.343 3.130 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(c1)OCO3)O2 587410174 VRLPPOSRJHMDIB-YUNKPMOVSA-N 355.390 3.497 0 1 FGAF CC1=C[C@]2(C=C(C(=O)O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587833450 NFRXAASWLLLPQA-VPTHRUTESA-N 368.202 3.220 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)O2 587398055 AHDOSGBNVPIKRS-MPBGBICISA-N 355.390 3.310 0 1 FGAF O=C([C@@H]1CCCOC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659933 LCLZBLZPGBNFBR-CQSZACIVSA-N 352.365 3.269 0 1 FGAF COC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587594675 PEHMGIIOKSEXSA-DNVCBOLYSA-N 354.358 3.066 0 1 FGAF COC(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1OC 587244936 RUHKLAZKPBDKQF-ZHACJKMWSA-N 351.362 3.010 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CSCCc3ccccc31)NCC2 962931730 PDKANQNINSRMCU-NRFANRHFSA-N 352.503 3.067 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)NCCc3c(C(=O)O)cccc32)C1 963129499 FTIHJXPKPZEMRF-SPLOXXLWSA-N 374.481 3.393 0 1 FGAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3c(OC)ccc(OC)c31)OCO2 963634586 KUFJEWDTZHOREJ-BIBXISHDSA-N 357.406 3.065 0 1 FGAF COC(=O)c1ccccc1NC(=O)CSc1nc2cccc(OC)c2[nH]1 1772579432 SSBBDQUIHDWUMZ-UHFFFAOYSA-N 371.418 3.089 0 1 FGAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 12479668 HFNNKPGPGMQIKD-MAUKXSAKSA-N 366.417 3.353 0 3 FGAF C/C(=C\Cc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 13380853 WTAGIHGECXTWAX-OZYKDKRISA-N 368.385 3.212 0 1 FGAF COc1cccc2c1C(=O)N1CCC[C@@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 13828235 VEWIUEUYTQRUFK-CYBMUJFWSA-N 369.421 3.127 0 1 FGAF Cc1cccc(C(=O)N(C)C2(C(=O)O)Cc3ccccc3C2)c1OC(C)C 168291086 AKRIXYOVYPURCR-UHFFFAOYSA-N 367.445 3.476 0 1 FGAF CC(C)(C)OC(=O)NCCNc1nc(-c2ccncc2)nc2cnccc12 1857543969 DDAWAXFLSVSXBO-UHFFFAOYSA-N 366.425 3.023 0 1 FGAF O=c1c(OCc2nn[nH]n2)c(-c2ccc(F)cc2)oc2ccc(Cl)cc12 1857572745 GUXOJMOCPVHKFU-UHFFFAOYSA-N 372.743 3.345 0 1 FGAF O=C1[C@@H]2C[C@H]2CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644092 LFXGXBRXYSLKHQ-UHOFOFEASA-N 370.399 3.302 0 1 FGAF CCCCN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(Cl)cc1 6803593 XYFVLRWGIMTWFQ-KBPBESRZSA-N 358.916 3.215 0 1 FGAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356301111 VLVOTEXQVGZTSY-LZLYRXPVSA-N 365.495 3.294 0 1 FGAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCN(C)CC3)nc12 1911572149 NNUYEYWSYDPUIJ-UHFFFAOYSA-N 350.466 3.286 0 1 FGAF Cn1nc(C2CC2)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1 103185257 XDHJZRWRZSCHRL-UHFFFAOYSA-N 351.741 3.074 0 1 FGAF CC[C@@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 25966958 GCWWSHKYTXQPPO-FQEVSTJZSA-N 350.349 3.057 0 1 FGAF C[C@H](Oc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798428 RXYFHFITBGIPAS-UBHSHLNASA-N 368.271 3.385 0 1 FGAF O=S(=O)(c1cccc(F)c1)n1cc(C2=CCCNC2)c2ccccc21 28526359 IRXAPNVMDBHCGG-UHFFFAOYSA-N 356.422 3.394 0 1 FGAF COc1ccc([C@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116015261 VDBADOQXXPFKBM-HXUWFJFHSA-N 373.412 3.419 0 1 FGAF COc1cccc(O)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O 28338233 XYKJPYZNOLWTGV-UHFFFAOYSA-N 374.400 3.453 0 1 FGAF CC=CC=CC(=O)N[C@H](C(=O)O[C@H](C)[C@H](C)C(=O)O)[C@@H](C)c1ccccc1 2356793427 KNPRAIKHBOCDJD-GGXPGOJBSA-N 373.449 3.060 0 1 FGAF COc1c2c(cc3ccoc13)C(=O)[C@@H]1c3cc4c(cc3OC[C@@H]1O2)OCO4 1531871 RZZBXVGBWLOHHV-JKSUJKDBSA-N 366.325 3.290 0 1 FGAF biogenic Cc1c(O)c2c(c(C(=O)CCc3ccccc3)c1O)OC(C)(C)[C@H](O)C2 14821421 BAHXHQFEFUBNER-MRXNPFEDSA-N 356.418 3.296 0 1 FGAF biogenic O=C(/N=c1\cc[nH]c2ccccc12)NC1CCN(CCc2ccccc2)CC1 45201821 VXYUSRIURBRQFB-UHFFFAOYSA-N 374.488 3.485 0 1 FGAF CC[C@H]1CN2C[C@H]3c4c(n(C)c5cc(OC)ccc45)[C@@H]2C[C@@H]1[C@H]3C(=O)OC 238749094 BYRMZXJJASKUPM-ANVPUNLDSA-N 368.477 3.476 0 1 FGAF CC(C)c1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)no1 147844790 PKRZBKQWMFKQCW-UHFFFAOYSA-N 352.394 3.139 0 1 FGAF CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCc1c[nH]c2ccccc12 95601260 IQICNIOVSLGMPX-HXUWFJFHSA-N 366.469 3.035 0 3 FGAF CCOc1nc(C)ccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473171366 UDTQEQKOFPDGFC-RYRKJORJSA-N 367.449 3.256 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C2 587247680 XLIBBPHWWOVTKP-SFHVURJKSA-N 373.359 3.236 0 1 FGAF CN(c1ccc(-c2csc(CCc3ccncc3)n2)cc1)S(C)(=O)=O 587923762 LVQHYCYWMQDDCY-UHFFFAOYSA-N 373.503 3.386 0 1 FGAF CC[C@@]1(Cn2cncn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756387 DHXLPFRNDIINSG-BONVTDFDSA-N 353.239 3.019 0 1 FGAF COc1nccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121175 WDKTTYQQJKUQEY-UHFFFAOYSA-N 351.210 3.394 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]nc3ncccc23)N1 587797454 SPBZSLYBFKOZCP-AYVTZFPOSA-N 361.218 3.483 0 1 FGAF O=C(O)c1cccc2nc(C(F)(Br)Br)[nH]c12 587087874 XQSWWNFMBABHPB-UHFFFAOYSA-N 351.957 3.131 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)O2 587387423 RFQPEWVFYDLYKY-DNVCBOLYSA-N 364.417 3.260 0 1 FGAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1 13471787 OYAFLVNFRTYRSK-TZIWHRDSSA-N 369.436 3.435 0 1 FGAF CC(C)NC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H]1C)OCO3 13604060 AJCOKYMEMGRCGG-LBPRGKRZSA-N 366.421 3.245 0 1 FGAF O=C1O[C@@H](Cn2cc[n+]3c2CCC3)CC1(c1ccccc1)c1ccccc1 13651198 AIEDHGFQQYNUFP-HXUWFJFHSA-N 359.449 3.024 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(F)cc2F)nc2ccc(C)cn12 1857607003 SHYMGXYRYZQDPQ-UHFFFAOYSA-N 372.375 3.313 0 1 FGAF C[C@H]([C@H](c1ccc2cc(OCC(=O)O)ccc2c1)n1ccnc1)N(C)C 28130169 HKJCSUNJDASSCM-JLTOFOAXSA-N 353.422 3.039 0 1 FGAF CCCC(=O)OCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66073846 NNYFVNZMQALCMW-UHFFFAOYSA-N 374.890 3.377 0 1 FGAF CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23CN4CCC[C@@]4(C[C@H]12)C(=O)N3 2356519754 OLTNNHBFPVARTE-MAODMQOUSA-N 369.896 3.378 0 1 FGAF COc1ccc(C[C@H](CO)n2cc(-c3ccccc3)c3c(N)ncnc32)cc1 27994949 CTAZKUKBHBXUFJ-QGZVFWFLSA-N 374.444 3.465 0 1 FGAF CN1O[C@@](C)(CC(=O)Nc2cccc(O)c2)N=C1c1ccccc1Cl 74373592 LSGVKJCYLJPYFI-SFHVURJKSA-N 359.813 3.414 0 3 FGAF O=C(c1ccc(O)cc1)c1cc2cc(Br)cc(O)c2oc1=O 72175128 FAVKOCQLFBJWCI-UHFFFAOYSA-N 361.147 3.198 0 1 FGAF COc1cc(Nc2cncc(Oc3cccnc3)n2)cc(OC)c1OC 40410650 OVLFURDMHZJLCV-UHFFFAOYSA-N 354.366 3.433 0 1 FGAF CC1(C)Oc2cc(C(=O)c3cscn3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669241 UHBWTJMNRPXUDI-JHJVBQTASA-N 359.447 3.495 0 1 FGAF CC(C)(C)OC(=O)n1cc(-c2ccc(NCc3cnc[nH]3)cc2)[nH]c1=N 473114677 ORNKIKIPRVVEIE-UHFFFAOYSA-N 354.414 3.081 0 1 FGAF CC(C)(C)OC(=O)N1CCCCC[C@@H]1Cc1ccc2c(O)nc(O)nc2n1 587556595 BQNWXAWLEHUOQG-CYBMUJFWSA-N 374.441 3.158 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2C(=O)O)N1 587789329 CUVFXDJRDOAQRI-UOWDBTKRSA-N 353.191 3.238 0 1 FGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587591621 WLPRFNBSSBHFTB-APWZRJJASA-N 365.341 3.210 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c1ccc(Cl)c4F)[C@@H](C2)C3=O 587426522 DAHFAKMXGGASNQ-XTZNXHDOSA-N 359.740 3.083 0 1 FGAF CCO[C@@H](C)c1ccc([C@@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433972 YJJGBTGXDZOWQC-PFDOBSCMSA-N 367.445 3.394 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CC(=O)O)N1 587756218 RMLZXEZNWFBGPU-FVMDXXJSSA-N 367.218 3.098 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](OC)O1 587832401 JRJURCAZAQVEED-GPZHBRCZSA-N 374.250 3.145 0 1 FGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(=N)N)cc2[nH]1 587200883 BABWLLPXDRDVIW-UHFFFAOYSA-N 359.474 3.428 0 1 FGAF CCOC(=O)Cc1[nH]c2cc(F)ccc2c1N1C(=O)c2ccccc2C1=O 587636672 BXPMETPRWUFJCR-UHFFFAOYSA-N 366.348 3.213 0 1 FGAF Cc1cnc(Cl)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 587193836 HFLSTTLUZOXUQO-LLVKDONJSA-N 367.881 3.437 0 1 FGAF CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)n1 587419590 CZMPHBOJXGVNRQ-BMIGLBTASA-N 352.312 3.419 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)c(F)cc2[nH]1 587250214 QIKZWZJSBOCLRQ-UHFFFAOYSA-N 364.174 3.336 0 1 FGAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1OC)(C(=O)O)CC2=O 587478896 KSSULAUXJVLIGM-NRFANRHFSA-N 370.401 3.385 0 1 FGAF COc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1F 587194069 KQOJCJIASIEMLI-GFCCVEGCSA-N 366.437 3.228 0 1 FGAF Fc1cnc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc12 586918620 QHCZDGUVRMCGSH-JTQLQIEISA-N 350.147 3.372 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)cc2[nH]1 586961717 LHSMGUXSHOQJKZ-LURJTMIESA-N 366.244 3.257 0 1 FGAF Cc1c(O)ccc2c1[C@H](c1ccc3cccc(F)c3n1)N[C@H](C(=O)O)C2 963547346 BDUAXZVMOJVWGI-KXBFYZLASA-N 352.365 3.076 0 1 FGAF O=C(Cc1cccc(Br)c1)[C@H]1NCCc2nc3ccccn3c21 962987465 WOUIUZRORCTOHP-QGZVFWFLSA-N 370.250 3.095 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCOC(C)(C)C1)NCC21CCOCC1 963193888 VWFSRMRDJBBBJN-OAQYLSRUSA-N 361.482 3.140 0 1 FGAF CCn1ncc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962638121 KJSKGTSUUBARQY-UGKGYDQZSA-N 359.477 3.134 0 1 FGAF Brc1ccc2c(c1)[C@H](c1cnc3c(c1)OCCO3)NC1(CC1)C2 961615520 OUVPJEXFJLPHQQ-INIZCTEOSA-N 373.250 3.383 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)NC21c2ncccc2-c2cccnc21 963606468 HTVOVABBBLMVIZ-CYBMUJFWSA-N 359.429 3.300 0 1 FGAF Cc1cc(=O)oc2cc(NC(=O)CNCCc3ccc(F)cc3)ccc12 1772630988 AMEFZDSASHUJRJ-UHFFFAOYSA-N 354.381 3.011 0 1 FGAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2 5918338 NNJWBZJTAKJKBL-VQTJNVASSA-N 360.406 3.412 0 1 FGAF biogenic CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1 13472734 QBQZTCRZECEEGK-UHFFFAOYSA-N 350.422 3.210 0 1 FGAF Cc1cc(C)nc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 13746153 AXZBMMTZBCBKLD-VWLOTQADSA-N 354.479 3.258 0 1 FGAF COc1cccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)c1 206092030 WWULKTBBRORRJY-UHFFFAOYSA-N 365.433 3.467 0 1 FGAF COC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166366054 YKBKBANREBCUSV-CYBMUJFWSA-N 371.412 3.138 0 1 FGAF CCN(CC)c1ccc(NC(=O)c2cn(C)nc2-c2cc(C)on2)cc1 1857615607 MFWITLJFMFWRHZ-UHFFFAOYSA-N 353.426 3.482 0 1 FGAF CCCN1CCN(c2ncnc3oc(-c4ccccc4Cl)nc23)CC1 1857635702 UTTBQBNJMQPXFH-UHFFFAOYSA-N 357.845 3.470 0 1 FGAF Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc43)cnc2n1 2043425 NXCCIJQEAKMFGW-UHFFFAOYSA-N 367.416 3.406 0 1 FGAF in-vivo CCCCC[C@H](O)[C@H](O)C=C[C@H](O)CC=CCC=CCCCC(=O)O 2356342668 YCFPVUKKIWMCJK-CEXWTWQISA-N 354.487 3.353 0 1 FGAF CNP1(NC)=Nc2nn(-c3ccccc3)c(N)c2C(c2ccccc2)=N1 4163666 OYSWBAFAJLEEFV-UHFFFAOYSA-N 365.381 3.322 0 1 FGAF COCCn1c(=O)c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc21 4238467 PQRKNLMQPKIZBX-UHFFFAOYSA-N 373.416 3.244 0 1 FGAF CN(C)CC[C@@H]1CN(C)C(=O)c2cnc3cc(C(F)(F)F)ccc3c2O1 26297114 XYQUMGFNMXSJNI-GFCCVEGCSA-N 367.371 3.038 0 1 FGAF Nc1c(C(=O)N2CCOCC2)sc2nc(C3CC3)cc(C(F)(F)F)c12 103241935 XFAVECWZQVOOQJ-UHFFFAOYSA-N 371.384 3.247 0 1 FGAF CN(C)c1cccc2c(S(=O)(=O)NCc3ccc(NO)cc3)cccc12 64633609 UQUFNTCYKMXVHH-UHFFFAOYSA-N 371.462 3.185 0 1 FGAF in-vitro OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937749 KHGDILJGZLKKBP-TZIWHRDSSA-N 358.432 3.151 0 1 FGAF CC1(C)C=Cc2cc([C@@H]3COc4cc(O)cc(O)c4C3=O)cc(O)c2O1 2356647769 GENFCVZSDBHEJM-ZDUSSCGKSA-N 354.358 3.347 0 1 FGAF Cc1noc(C)c1CCC(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 23340478 GYOPUNZJZGAIMC-IBGZPJMESA-N 355.482 3.347 0 1 FGAF CN[C@@H]1CCN(c2nc(N)nc3c2oc2c(Cl)cc(Cl)cc23)C1 73159735 ZTIXUNPSHNPFNK-MRVPVSSYSA-N 352.225 3.063 0 1 FGAF CN1CCC[C@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 36289036 YFCMYTFFOHSHAT-CQSZACIVSA-N 350.422 3.044 0 1 FGAF C[C@H](c1ccccc1)c1nc(O)c(O)c(C(=O)NCC2CCCCC2)n1 1911584728 MDSZYJZWXRYDRE-CYBMUJFWSA-N 355.438 3.350 0 1 FGAF COc1cccc(CCc2ccccc2OCCCN2CCN(C)CC2)c1 40423483 QKYNUPXNXUUVHU-UHFFFAOYSA-N 368.521 3.497 0 1 FGAF in-vitro CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@](O)(OC(C)=O)C1)[C@@H]32 238780182 FKGZSHKJEFLYLN-QHAWAJNXSA-N 352.434 3.076 0 1 FGAF CN1CCC(Nc2ccc3ncc(-c4cnn(C5CCCC5)c4)n3n2)CC1 96937453 QHDIANPQDMRPCW-UHFFFAOYSA-N 365.485 3.214 0 1 FGAF CC(=O)C[C@@H]1OC(=O)C2=CCC[C@@H]([C@H]3C[C@H](c4ccoc4)OC3=O)[C@]21C 238788931 OHWWUONSFYAWNR-BKFWEMOKSA-N 358.390 3.131 0 1 FGAF CCNC(=O)Nc1cn(-c2ncc(C)cn2)c2cc(-c3cccnc3)cnc12 653760730 VPORVXWUNGMCSE-UHFFFAOYSA-N 373.420 3.327 0 1 FGAF N[C@@H]1CCC[C@H](NC(=O)c2ccc(O)c3[nH]c([C@@H]4C[C@H]5CC[C@H]4C5)nc23)C1 653670304 FLSNBMIFUBTWCA-JHZZJYKESA-N 368.481 3.172 0 1 FGAF Cc1cc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c(C)n1 587196581 ACHAAUJLMLAGRS-CQSZACIVSA-N 360.458 3.491 0 1 FGAF NC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580989 UNGUKAKEZYJFFU-YLJYHZDGSA-N 361.353 3.194 0 1 FGAF Oc1nc(O)c2ccc(-c3c(F)cc(Br)cc3F)nc2n1 587368516 RWGGIMCDIDKGOD-UHFFFAOYSA-N 354.110 3.144 0 1 FGAF Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)NCCc3ccc(O)cc32)c(C)c1 963327926 BMGMGRYHFYOGKB-AZUAARDMSA-N 353.422 3.144 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12c1c(F)cccc1C[C@H]1CCCN12 963100640 CFLHWTCBAPBTJF-VWKPWSFCSA-N 359.441 3.364 0 1 FGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 14952609 PGZGPYMGHNIKHG-HRVGUFCPSA-N 367.511 3.107 0 1 FGAF COc1ccccc1[C@H]1N(c2ccccc2S(C)(=O)=O)C(=O)C1(C)C 169324191 JERXWVLFQNTDNF-QGZVFWFLSA-N 359.447 3.213 0 1 FGAF CCCCC/C=C\C[C@H]1[C@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O 169622191 RZCPXIZGLPAGEV-GRZFXSKDSA-N 354.487 3.043 0 1 FGAF CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCCN1CCOCC1 1857649637 GEJMMXMSKKDXHK-UHFFFAOYSA-N 373.449 3.104 0 1 FGAF NC(=O)c1cc(-c2ccccc2)cc2c([C@@H]3CCCS(=O)(=O)C3)c[nH]c12 114234897 OOBVTLGHCIKTBE-CQSZACIVSA-N 368.458 3.226 0 1 FGAF CSc1nc(NC(C)C)c2c(n1)Sc1nc3ccccc3n1[C@H]2O 1658792 OWOZJUCMIJUISZ-AWEZNQCLSA-N 359.480 3.372 0 1 FGAF CCC=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H](C(C)(C)O)O3 2356351270 TXJURQFVPQLVFY-KRWDZBQOSA-N 374.433 3.402 0 1 FGAF O=C(NC1CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 3061883 HKNPMYFRXCRAQA-UHFFFAOYSA-N 374.245 3.453 0 3 FGAF COc1cccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)c1 6006741 MFUMREBAQCWFLL-FUHWJXTLSA-N 356.418 3.287 0 1 FGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 100101422 ICRBBNHCOFLBDE-ALWPKHFBSA-N 368.502 3.157 0 1 FGAF COc1ccc(CN(CCCN2CCOCC2)Cc2ccccc2)cc1O 103280595 MITMHJCMQRRLSU-UHFFFAOYSA-N 370.493 3.125 0 1 FGAF CC(C)CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305822 KAOXQKJFQLXPLO-HUUCEWRRSA-N 357.454 3.091 0 1 FGAF C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365340 UIUPLOYUEHEWMK-QXATTWAWSA-N 356.510 3.365 0 1 FGAF Cn1c(=O)c(-c2c(O)cccc2O)cc2cnc(Nc3ccccc3)nc21 28331568 VPMKIVPPDOTUEO-UHFFFAOYSA-N 360.373 3.150 0 1 FGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@H]2CNC1CCCCC1 2356557605 UXYDDBLZCKSNAL-CBVHTGMHSA-N 366.505 3.082 0 1 FGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@H](C)CC(=O)O)[C@@H](C)c1ccccc1 2356786553 AVTHWMAILGATEZ-GUXCAODWSA-N 373.449 3.204 0 1 FGAF C[C@H](OC1=CC2=C3C=CNc4c3n(c(=O)c3ccccc43)[C]2C=C1)C(=O)O 2356849451 CIGZQYYDWDPZIY-NSHDSACASA-N 359.361 3.031 0 1 FGAF CC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 33649958 KYJSZRFHGZEXQS-UHFFFAOYSA-N 353.466 3.236 0 1 FGAF CC(=O)O[C@@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1N(C(C)=O)CC4)OCO3 14618053 RECDUZGPRIBATN-VQTJNVASSA-N 365.385 3.146 0 1 FGAF biogenic COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@@H]2O 137020044 NTUILXJVELUSRZ-GWOFKNCZSA-N 374.477 3.213 0 1 FGAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82204018 MSXJXJGTUMMEIH-CWRNSKLLSA-N 359.518 3.113 0 1 FGAF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC[C@H](O)C(C)(C)O 238753821 HNHWESMEELECRS-FUNAXGEOSA-N 362.422 3.039 0 1 FGAF O=C(N[C@]1(C(=O)O)Cc2ccc(F)cc2C1)c1cccc2c1CCCC2 146486703 JGVKSNVSVQTRCR-OAQYLSRUSA-N 353.393 3.057 0 1 FGAF CC(=O)CC[C@H](/C=C/[C@@](C)(O)C[C@@H](O)/C=C(\C)CCC(=O)O)C(C)C 238742135 UUPXPGYKZYACRW-CIOCWZRSSA-N 354.487 3.497 0 1 FGAF O=C1CN(C(=O)c2ccccc2)C2(CCCC2)C(=O)N1C1CCCCC1 653871785 YOVRBAYQBRCCLG-UHFFFAOYSA-N 354.450 3.143 0 1 FGAF COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587932440 UMNGYIZPCUHCDM-ZDUSSCGKSA-N 373.478 3.168 0 1 FGAF COc1cccc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587430082 QYAVXRHUBAETFI-LNRPMLKFSA-N 365.429 3.422 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccnn1CC)CC2=O 587475435 LVWNKDJHEWEKFR-JNSUZQQQSA-N 369.465 3.497 0 1 FGAF CCOC(=O)N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766387 GOBSBESEJCEDHL-HWPZZCPQSA-N 371.250 3.180 0 1 FGAF Cc1noc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590412 ZYMQLALHGHCAPI-LPHOPBHVSA-N 352.346 3.047 0 1 FGAF CC(=O)NC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574573 XLEPCYOTIKALTD-LAUBAEHRSA-N 369.417 3.417 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(OCC(=O)O)cc1)O2 587402296 WVSADZFTURQZIK-OAQYLSRUSA-N 369.417 3.397 0 1 FGAF COC(=O)[C@@H](N=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586988520 KBEOZZPLYZBQMK-SFHVURJKSA-N 362.341 3.441 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3cncc32)N1 587774536 WGWXPZAEBLUXHB-MGPLVRAMSA-N 350.235 3.356 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(N)=S)cc1)[C@@H](C2)C3=O 587453315 ROCPTUIVJKOADS-LIRRHRJNSA-N 354.431 3.014 0 1 FGAF OCc1ccc(F)c(-c2nc3ccc(I)cc3[nH]2)c1 587140143 HAXSQQSAOMNVSS-UHFFFAOYSA-N 368.149 3.466 0 1 FGAF Cc1ccc(N)c([C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962920924 NEAKRGIPQRTFSG-YOEHRIQHSA-N 368.330 3.121 0 1 FGAF Cc1c(F)ccc2c1[C@]1(CC[C@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962095328 WUBQISBLJXVPSB-OYHNWAKOSA-N 364.420 3.324 0 1 FGAF COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 13813551 QXGJGLQOJFSBPP-CYBMUJFWSA-N 374.389 3.171 0 3 FGAF CC/C=C\C[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 14680660 ANOICLBSJIMQTA-PVRLCQARSA-N 350.455 3.027 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]341 169294696 PAXDZHPBDVTZOB-MEVNYJJWSA-N 367.489 3.350 0 1 FGAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C(C)(C)O)/C=C/C=C/3CO 169295530 BPZFTYYQDTYXJB-GCNYNAOJSA-N 368.473 3.476 0 1 FGAF COc1ccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 205709327 IIQLIFZAKSFTDO-JHGBEIFQSA-N 370.493 3.385 0 3 FGAF Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccc(F)cc3)cc2)o1 1857646172 BLKAFGDRAAXYOT-UHFFFAOYSA-N 365.368 3.403 0 1 FGAF CCOC(=O)c1cc(Sc2ccc(N)c(C(=O)OCC)c2)ccc1N 1654677 XFYKIVIHHBDZRA-UHFFFAOYSA-N 360.435 3.356 0 1 FGAF COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCc2ccccc2C1 6870570 VGMBVIJXISXBFG-UHFFFAOYSA-N 364.401 3.120 0 1 FGAF N=C(N)c1ccc(-c2cccc(-c3cn4cc(C(=N)N)ccc4n3)c2)cc1 27194858 UTMXCUWVXRZXPO-UHFFFAOYSA-N 354.417 3.236 0 1 FGAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 2356518371 OGMABKWVTZVRID-OKAPZRELSA-N 366.498 3.080 0 1 FGAF COc1cc([C@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc(OC)c1O 2356565631 FOXNADJYBCBRFG-GFCCVEGCSA-N 360.362 3.144 0 1 FGAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccccc3)CC1)OCC2 27891712 BJKMQZFKPUMEIQ-JOCHJYFZSA-N 368.477 3.140 0 1 FGAF CCOC[C@]1(CN(CC)CC)COc2ccc3c(C)cc(=O)oc3c2C1=O 49032723 XOMRRNAJGVDHKE-OAQYLSRUSA-N 373.449 3.041 0 1 FGAF O=C1NCCc2c1ccc1[nH]cc(CCNCc3cccc4cccnc34)c21 43078105 NXDMLDJTEYAEAK-UHFFFAOYSA-N 370.456 3.334 0 1 FGAF COc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1NS(C)(=O)=O 40873438 RCANHPBTUVMERN-UHFFFAOYSA-N 370.434 3.267 0 1 FGAF CC[C@H]1OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2 96283373 KJNMSNXRKPQPBK-OAHLLOKOSA-N 353.349 3.403 0 1 FGAF O=C(Cc1cc(Br)ccn1)c1cc(Oc2cncnc2)ccn1 96178199 HJEZOSWOJMQROB-UHFFFAOYSA-N 371.194 3.247 0 1 FGAF CC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)C 95895201 GFFGWWHPUXJGGG-VSKRKVRLSA-N 370.468 3.166 0 1 FGAF Cc1ccc2nc([C@H]3C[C@@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 143003256 KLBYQGDDYSIOLY-GJZGRUSLSA-N 359.437 3.438 0 1 FGAF Cc1cc(OC(=O)C(C)(C)CCCCO[N+](=O)[O-])n(-c2ccccc2)n1 95557021 YKWUTGKXAYYDKK-UHFFFAOYSA-N 361.398 3.491 0 1 FGAF CN(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 586928852 LWBXXQCEUJYXOD-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF COc1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652486 SLABFCCTCAQDJQ-LLVKDONJSA-N 358.781 3.166 0 1 FGAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587637409 CKZSIBCZZAZUFU-UHFFFAOYSA-N 362.382 3.068 0 1 FGAF CC(C)C(=O)Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652168 MQXSUBAAVFAYID-UHFFFAOYSA-N 369.808 3.333 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccc(Cl)nn14)[C@@H](C2)C3=O 587420846 MIVMLXGHRNWYLD-BBATYDOGSA-N 355.781 3.054 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 587787968 YKTBXPXULSBNSL-CKEIUWERSA-N 350.378 3.230 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cnccn12 587589886 YILUXDUIDMPFHN-YLJYHZDGSA-N 359.341 3.138 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3cc(Br)ccc3Cl)nc12 586980262 MBHQAUUEMXWIMB-UHFFFAOYSA-N 357.620 3.430 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)cc1OC)[C@@H](C2)C3=O 587443253 MRSCJXGTPPHIDP-RNODOKPDSA-N 356.374 3.081 0 1 FGAF CCOC(=O)c1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444226 YMLNMUORYLOZLZ-KUHUBIRLSA-N 354.358 3.066 0 1 FGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)C(C)C)[nH]c2c1 587259466 RWDBGKZCRWOLMJ-KRWDZBQOSA-N 374.466 3.028 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3nc(Br)cs3)c3cccc1c32 963032734 SNGXCNODLOREAX-CLAHSXSESA-N 364.268 3.048 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)cc1 141163304 MSTJOBPAXRNQDB-UHFFFAOYSA-N 366.486 3.461 0 1 FGAF CCn1cc(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)cn1 12072331 WXNRFXSTJXWHEM-OAQYLSRUSA-N 370.472 3.057 0 1 FGAF COc1ccc(-c2ccc3nnc(-c4ccccc4OC)n3n2)cc1OC 13829643 HAXIHMUFGPSDMV-UHFFFAOYSA-N 362.389 3.484 0 1 FGAF O=C(O)COc1c(C(=O)O)sc(-c2ccsc2)c1Br 14955081 DBNXDVIOSZZYAC-UHFFFAOYSA-N 363.210 3.401 0 1 FGAF COc1cc2ccc(=O)oc2cc1OC/C=C(/C)[C@H](O)CCC(C)(C)O 15253786 MJQRENNKEPLHRN-JEMSNHSXSA-N 362.422 3.039 0 1 FGAF COC(=O)[C@H]1C(=N)Oc2cc(N(C)C)ccc2[C@@H]1c1ccccc1OC 169687142 JOYVAWKMSYMQJC-ZWKOTPCHSA-N 354.406 3.052 0 1 FGAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540586 HUWKTQHBCWOBRA-CYBMUJFWSA-N 370.840 3.163 0 1 FGAF N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205242628 IKFWWTFURAIGPU-HNNXBMFYSA-N 371.448 3.009 0 1 FGAF COc1ccccc1-c1ccc(C[C@H](NC(=O)N2CCCC2)C(=O)O)cc1 1493861 PVGYLRMIUHDMTR-SFHVURJKSA-N 368.433 3.163 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](C(=O)OCCF)[C@@H]2O 3934211 BNCOAPDKVAJVAD-UEWJFYJWSA-N 362.441 3.348 0 1 FGAF Cc1cccc(CNc2cc(-c3cccc(NS(C)(=O)=O)c3)ncn2)c1 4257432 PUURVQPXLAFISS-UHFFFAOYSA-N 368.462 3.436 0 1 FGAF O=C(Cn1c(=O)c2cccn2c2ccccc21)N[C@H]1CCCc2ccccc21 6782267 XCLDCGBKQVRXNE-SFHVURJKSA-N 371.440 3.448 0 1 FGAF CC(C)OC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 64539117 MTMPMDZHCAGNOP-OBYDGYHJSA-N 350.459 3.157 0 1 FGAF Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2cccc3c2OCO3)cc1O 61926530 OKYGXBWJKKRNDQ-FQEVSTJZSA-N 354.406 3.032 0 3 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3N=CNC(=O)[C@@H]32)cc1 64393129 QJQREYVFCQOAIW-KAGYGMCKSA-N 358.397 3.473 0 1 FGAF CCC[C@@H](OC(C)=O)C1=C(Br)C(=CBr)OC1=O 2356470404 ZHKRZTOJPXQAJI-SSDOTTSWSA-N 368.021 3.160 0 1 FGAF CNc1nccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)n1 36144149 VQWCRDHPNXZMIT-UHFFFAOYSA-N 356.426 3.358 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2O/C(=C/CCCC(=O)O)C[C@@H]21 33838839 KAQKFAOMNZTLHT-OIFXOYFUSA-N 352.471 3.409 0 1 FGAF C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N12 16041304 MKJKSDJSELYLIS-MGPUTAFESA-N 373.456 3.067 0 1 FGAF biogenic CSc1ccc(Sc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1 40935799 GRQBTYJVQQSMFR-UHFFFAOYSA-N 368.549 3.269 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CC(F)(F)F 199231722 YTVMNEWLVRXDMT-HNNXBMFYSA-N 360.401 3.138 0 3 FGAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895803 HKQKKWWMRZRAPL-FDFHNCONSA-N 352.478 3.027 0 1 FGAF COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(OC)c1OC 145354666 PYIYGRLUCBIXOU-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COc1ccccc1[C@@H]1N(c2cccc(S(C)(=O)=O)c2)C(=O)C1(C)C 98208189 JTEHJTAGXBHCOJ-KRWDZBQOSA-N 359.447 3.213 0 1 FGAF in-vitro C1=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCOC1 96168822 PDKTZRBNGYEHBA-UHFFFAOYSA-N 360.417 3.096 0 1 FGAF O=C(CNc1ccc2[nH]ncc2c1)Nc1nc2ccc3[nH]ncc3c2s1 142272134 XYLPPAUDPGNXNI-UHFFFAOYSA-N 363.406 3.100 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(O)c31)[C@@H]1CC[C@H](C2)N1 96175310 FCUJWWNPRKGBPB-WBMJQRKESA-N 368.458 3.066 0 1 FGAF CCOC(=O)Cc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444491 ZITIOTRSNQLKNN-VGSWGCGISA-N 366.413 3.464 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2N)N1 587727367 BSYKWAXZHBJZGH-NXSYQRQQSA-N 354.198 3.328 0 1 FGAF OCCc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169206 XHEAJXFOZPUWKS-UHFFFAOYSA-N 363.396 3.362 0 1 FGAF O=C([C@H]1CCO[C@@H]1c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652660 XXJDCURBQOASKQ-DOTOQJQBSA-N 354.793 3.468 0 1 FGAF COC(=O)c1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1OC 587016181 HNUJTFVFDABWRG-ZDUSSCGKSA-N 359.407 3.333 0 1 FGAF COC(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403434 MEYZSJVJGDGJEI-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cc(Cl)c(F)cc12 587631478 NIKZAQURKQTWKR-CQSZACIVSA-N 366.820 3.277 0 1 FGAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587570291 OEGOSBKWAVYYIX-CRAIPNDOSA-N 354.337 3.451 0 1 FGAF CCCCCOc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br 587245915 AVLZIBUFPOZGRF-MRXNPFEDSA-N 368.275 3.469 0 1 FGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc[nH]c(=N)c4[nH]3)c2C1 587033928 KMPJWGWPFCHFKY-UHFFFAOYSA-N 371.466 3.392 0 1 FGAF CC(=O)C[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587827352 KROJJQTXPSEWTM-XXFAHNHDSA-N 372.234 3.162 0 1 FGAF COc1ccc(CO)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772619017 ZJHSUNRFIHMZSX-QGZVFWFLSA-N 368.389 3.153 0 1 FGAF O=c1cc(-c2ccc(OCCN3CCCC3)cc2)oc2cc(O)cc(O)c12 169351499 AAPBPUKPYGLAGT-UHFFFAOYSA-N 367.401 3.346 0 1 FGAF O=C1c2ccccc2[C@](O)(C(F)(F)F)c2cccc(C3=CCNCC3)c21 1857547474 JKAMVVQLQDBZLM-LJQANCHMSA-N 359.347 3.406 0 1 FGAF CNC(=O)c1cc(Oc2ccc(-c3noc(CC(C)C)n3)cc2)ccn1 1857646874 WUAVWQUJNUMXLQ-UHFFFAOYSA-N 352.394 3.482 0 1 FGAF C[C@H]1CCNC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857759101 XKYMMSSYCNFZDW-SWLSCSKDSA-N 373.403 3.237 0 1 FGAF C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 836182 FUQCILPMICPJAL-ACJLOTCBSA-N 362.857 3.091 0 1 FGAF Cc1ccnnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 3938022 ABZARQSFHNJRAZ-UHFFFAOYSA-N 353.470 3.437 0 1 FGAF CNc1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1-c1ccc(OC)nc1 103252872 SJRURFJAYYQYQW-UHFFFAOYSA-N 369.446 3.264 0 1 FGAF CC(C)(C)n1ncc(OCc2nnc(-c3cccs3)o2)c(Cl)c1=O 103215966 NCOXXXBWOLVQSE-UHFFFAOYSA-N 366.830 3.342 0 1 FGAF O=C(Nc1cccnc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 100092212 FMVMMLXXPZFCBC-HZPDHXFCSA-N 371.462 3.083 0 1 FGAF CCC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 27520285 FZZMUAFJQSVQOJ-RBUKOAKNSA-N 371.408 3.421 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@H]1[C@H](OC(C)=O)[C@@]4(C[C@H]12)C3=Nc1cc(OC)ccc14 2356304714 CJRRQMKNRICNIF-WBBSLOJNSA-N 364.445 3.003 0 1 FGAF C[C@@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@H](O)C(F)(F)F 115763792 CGPSIOMHVIIIGV-FZYJTZEISA-N 368.233 3.214 0 1 FGAF COC(=O)[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@H]12 2356703247 SUTLCIJKBGLHOW-JYWFKMLOSA-N 358.434 3.397 0 1 FGAF NC(=O)c1sc(-c2ccccc2)cc1S(=O)(=O)c1ccc(F)cc1 72118990 YIYZJVBGTOYWHX-UHFFFAOYSA-N 361.419 3.486 0 1 FGAF Nc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 139313352 PLJLTHQUVASHMK-UHFFFAOYSA-N 357.377 3.447 0 1 FGAF CC1=CC[C@@]2(C)[C@@H](O)C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 72123537 QHFATPQTYSUZTN-WJJPVSRMSA-N 374.477 3.432 0 1 FGAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N)ncn3)c2F)cn1 224573228 DGLPKDGAGIHEAV-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF O=C(c1ccn(-c2ccc3c(c2)B(O)OC3)c1)c1ccc(Cl)cc1Cl 221693614 JZQLQPWNTKGAOI-UHFFFAOYSA-N 372.016 3.233 0 1 FGAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1 43077437 RLLVLKGMJUEMEC-UHFFFAOYSA-N 361.344 3.030 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@H](CC[C@@]12CO)[C@H]43 238748092 CXTKTMRFOAAVPA-AWEZIDKPSA-N 371.521 3.005 0 1 FGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12 473145164 LRFVNHUNXDUBDX-UHFFFAOYSA-N 372.392 3.460 0 1 FGAF O=C(O)c1ccnc(-c2cc(NC(=O)c3ccccc3O)ccc2O)c1 653737678 WRJFKLBFJUCLNX-UHFFFAOYSA-N 350.330 3.110 0 1 FGAF CN(c1nc(-c2cn[nH]c2)nc2c1COC2(C)C)c1n[nH]c2ccccc12 653713014 HMOPMHCEXHHXEM-UHFFFAOYSA-N 361.409 3.276 0 1 FGAF CC(C)(SCC(=O)O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586957965 BIRJLRJEUSJHJL-UHFFFAOYSA-N 354.741 3.030 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790542 INPVUQQESJCIFR-VXJOIVPMSA-N 367.218 3.327 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)C(C)C 586933696 WKQBOERRWHJWAN-JTQLQIEISA-N 362.858 3.167 0 1 FGAF CC[C@]1(Cn2cncn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587756389 DHXLPFRNDIINSG-MEBBXXQBSA-N 353.239 3.019 0 1 FGAF COc1ccc([C@H](O)[C@@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587938729 ZIOPGIZGNLKCOR-PRHODGIISA-N 352.316 3.169 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586921535 BRNVTSBAYLGMOE-UHFFFAOYSA-N 355.341 3.437 0 1 FGAF Cc1c(-c2nc3cc(CCO)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029478 PMJIXATUJPQXJO-UHFFFAOYSA-N 366.446 3.247 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]ccnc2-3)N1 587806181 VLLJZMQQWCMVLM-RMLUDKJBSA-N 361.218 3.435 0 1 FGAF COC(=O)c1cc([C@]2(C)c3cccc(Br)c3CCN2C)c[nH]1 963279877 KLYQODYEUMZPKK-QGZVFWFLSA-N 363.255 3.315 0 1 FGAF COC(=O)C[C@H](C(=O)OC)[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962659934 BIKVNBQUXSHZEW-KNQAVFIVSA-N 367.445 3.067 0 1 FGAF COc1ccccc1CCNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 1772616464 YVWXLWMOJFAGPJ-UHFFFAOYSA-N 351.406 3.066 0 1 FGAF Cc1ccc(CNc2nc(CN3CCCC[C@@H]3CO)nc3ccccc23)o1 12050986 CQVMBCLEVMODRI-MRXNPFEDSA-N 366.465 3.490 0 1 FGAF O=C1CCCC[C@@H]1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 13728251 LQQRPXHFUDAXHB-QGZVFWFLSA-N 359.491 3.136 0 1 FGAF COc1cc(/C=C/C(=O)OCCCc2ccc(O)c(OC)c2)ccc1O 15113264 YKUYJFZWORZCOC-JXMROGBWSA-N 358.390 3.304 0 1 FGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 169358679 RLATZNIHDCUZGM-FFGOWVMKSA-N 365.429 3.300 0 1 FGAF CCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 201472485 VHRBCJXLOOGMIB-QGZVFWFLSA-N 368.433 3.385 0 3 FGAF CC1(C)Cc2nc3sc4c(N5CCNCC5)ncnc4c3cc2CS1 4111977 KEQPZIXTIAYYIV-UHFFFAOYSA-N 371.535 3.217 0 1 FGAF C[C@H](Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1 28342079 CWQTXKTYLNBFFC-NSHDSACASA-N 358.446 3.482 0 1 FGAF CC(C)CNCc1ccc(-c2ccncc2S(=O)(=O)N2CCCC2)cc1 72114941 XSMHQUVJKYIKHG-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF CCOC(=O)C1=C(Nc2ccccc2C)N=C(c2ccccc2)N2CCN=C12 45285935 MEVJARWRQBQMTH-UHFFFAOYSA-N 374.444 3.356 0 1 FGAF COc1cc(OCC=C(C)C)c(/C=C\C(=O)O)c2c1C[C@@H](C(C)(C)O)O2 238750462 IXDPQGMWVFSXMM-TUYSUELWSA-N 362.422 3.212 0 1 FGAF Cc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3 147518646 KMQOXWNGOBWBOU-UHFFFAOYSA-N 363.385 3.498 0 1 FGAF COc1cccc([C@@H](CCO)NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95586573 QAGMCUQKCSBMNN-LJQANCHMSA-N 366.421 3.331 0 1 FGAF Nc1nc(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc2c1ncn2[C@@H]1CCCO1 254132948 QGZKDFNFCTXEHY-XQLPTFJDSA-N 357.458 3.455 0 1 FGAF CO[C@@H]1CCN(C(=O)Nc2ccccc2)CC(=O)N(C)c2ccccc21 299865118 NFLBLTMARYZJEJ-GOSISDBHSA-N 353.422 3.275 0 1 FGAF COc1cccc(-c2cc(=O)c3cc(Cl)cc(NCCCO)c3o2)c1N 299831870 OOYIVHVYYYOCHB-UHFFFAOYSA-N 374.824 3.499 0 1 FGAF COc1ccc(-c2ccc(N)cc2C)cc1S(=O)(=O)NC1CCCC1 473115006 QLPJKGIKIVWIFM-UHFFFAOYSA-N 360.479 3.474 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898103 LTFIANTWDDNWDD-UHFFFAOYSA-N 365.414 3.250 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(F)cncc1Br)[C@@H](C2)C3=O 587430211 ZINBYQWCEZMFDH-XXFAHNHDSA-N 364.170 3.481 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(C)ccnc4[nH]3)cc12 587037320 HMGDNNDSLMBRAK-SNVBAGLBSA-N 354.439 3.014 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586917670 UMPVAACZJNCZQK-VBKZILBWSA-N 350.374 3.478 0 1 FGAF O=C(O)[C@@H]1CC[C@H](c2cc3c(O)nc(O)nc3nc2-c2ccccc2)C1 587561969 YUBLIHPDPOSWMH-NWDGAFQWSA-N 351.362 3.071 0 1 FGAF CC(=O)N[C@H](Cc1nc2cncc(C)c2[nH]1)c1ccc(Br)cc1 586986467 XTIHRIUOAVOOIG-CQSZACIVSA-N 373.254 3.449 0 1 FGAF Nc1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1C(=O)O 587248256 KAQDOAXJFMNVKR-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COC(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1OC 587163671 UFQFEZVMQLWHJY-UHFFFAOYSA-N 356.353 3.313 0 1 FGAF CCOc1ccccc1OCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587781941 ZMHWDGRUQLCERX-UHFFFAOYSA-N 367.449 3.373 0 1 FGAF Cc1nc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2cc1Br 587094393 RDGOTYWKQPIYAO-ZCFIWIBFSA-N 365.153 3.158 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CN(C3)C1 587791710 MNJBTQRMBMURDK-YAJWGGFISA-N 365.290 3.289 0 1 FGAF Fc1cc(Br)ccc1-c1nc2c(S)nc(S)nc2[nH]1 587142570 FQTQIRIYNYNINT-UHFFFAOYSA-N 357.233 3.499 0 1 FGAF COCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587796255 PVAVNLGAVKYYMX-ANRSDYALSA-N 355.207 3.346 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587230563 HXVMKXWSARHPKV-ZJUUUORDSA-N 371.268 3.301 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1Cl)O2 587410674 VYSGFGTZTVRVMI-INIZCTEOSA-N 365.838 3.341 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc3ncccc3c2[nH]1 586949603 WAAQMIXMTJLUKV-UHFFFAOYSA-N 352.419 3.073 0 1 FGAF COC[C@]1(c2cccc(Cl)c2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962893970 GPYRVSZXIYDDDS-KBXCAEBGSA-N 367.779 3.107 0 1 FGAF COc1cccc([C@]2(C(O)O)NCCc3cc(-c4ccccc4)ccc32)c1 962669181 PFZBWRIAYADTLQ-QHCPKHFHSA-N 361.441 3.062 0 1 FGAF O=S(=O)(c1ccccc1)c1cccc(OCCNc2ccncc2)c1 13494025 FWIOVABIUXBCRZ-UHFFFAOYSA-N 354.431 3.405 0 1 FGAF Cc1ccccc1CNC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2 203474631 DQBLMBRRSQNKGW-UHFFFAOYSA-N 371.440 3.476 0 3 FGAF Cc1ccc(C2=Nc3c(n[nH]c3C)N=C3NC(NC(C)(C)C)=NC=C32)cc1 1857774310 QTJFIGDMMIYLER-UHFFFAOYSA-N 361.453 3.422 0 1 FGAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2 2356315881 VYJYBZIPEDJLIF-YOEHRIQHSA-N 352.409 3.280 0 1 FGAF COc1ccc(C2=NO[C@@H](Cc3ccc(OC)c(OC)c3)C2)c(OC)c1 103213595 ADKYATGFGFOTNA-HNNXBMFYSA-N 357.406 3.457 0 1 FGAF COc1ccc(NC(=S)c2c3n(c(=O)c4ccccc24)CCN3)cc1 101556387 NMMVOSSSDUAQGO-UHFFFAOYSA-N 351.431 3.223 0 1 FGAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1cccnc1 115646726 JVVDEAKIHWKYLT-QFIPXVFZSA-N 373.387 3.034 0 1 FGAF CC(=O)c1cc2c(cc1C)OC(C)(C)[C@H](O)[C@H]2NC(=O)c1ccc(F)cc1 29336745 ORFLWIPQRMUCBK-RBUKOAKNSA-N 371.408 3.340 0 1 FGAF CN1CCC[C@@H](n2c(=N)n(CCOc3ccccc3)c3ccccc32)C1 28899140 ABXUMKVAMHHHCW-QGZVFWFLSA-N 350.466 3.268 0 1 FGAF CCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 26844993 MZHXPJDFXXRWAH-GOSISDBHSA-N 356.532 3.384 0 1 FGAF COc1cc(C(=O)c2c(N)c3ccc(C)cc3n2C)cc(OC)c1OC 29136218 PZAVXOURSGLPPD-UHFFFAOYSA-N 354.406 3.326 0 1 FGAF O=C1NC(=O)/C(=C/c2ccc(OCCn3ccc4cccnc43)cc2)S1 29394852 VANCTNRBHZPTBE-VBKFSLOCSA-N 365.414 3.439 0 1 FGAF CCCCCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 29214656 VFOLRVPCLXANJH-MJGOQNOKSA-N 350.528 3.200 0 1 FGAF COc1ccc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)cc1O 2356466695 PQFNGONRIQPGDV-NIHZBZNOSA-N 358.390 3.190 0 1 FGAF COC(=O)C1=C[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@@H](C)O1 2356770533 ZLQMRLSBXKQKMG-VNVHMNPZSA-N 352.434 3.179 0 1 FGAF CC(=O)[C@@H](C)[C@@H]1c2ccc3c(c2C(=O)c2ccc4c(c21)OCO4)OCO3 13385385 KIGVBPONNKWVTQ-RFAUZJTJSA-N 352.342 3.045 0 1 FGAF biogenic O=C(NCCCCO)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1 40936079 PXBJOPVKZQDXIV-UHFFFAOYSA-N 369.248 3.470 0 1 FGAF Cc1ccc(-c2ccc(COc3ccc(CCNC(=N)N)cc3)cn2)nc1 43073490 ZTVPPXVYUZLCDE-UHFFFAOYSA-N 361.449 3.057 0 1 FGAF Nn1c(S)nnc1-c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 40848453 TWJIVKLMLPWIMC-UHFFFAOYSA-N 374.429 3.350 0 1 FGAF O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1ccnc(C(F)(F)F)c1 149851033 IZKSXRNODXVURY-CQSZACIVSA-N 369.318 3.153 0 1 FGAF O=C(Nc1ccc(-c2cn[nH]c2)cc1)N[C@H](CCO)c1cccc(F)c1 95591132 BNSKTIACOBJLNV-GOSISDBHSA-N 354.385 3.461 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@H]1O 95912662 JYELHVZHUTYKGP-MGFHSNFOSA-N 374.477 3.432 0 1 FGAF biogenic,in-vitro COc1cc(-c2cc(=O)n3ncc(-c4nccs4)c3[nH]2)ccc1Cl 143504068 HHXYOROBFNJYEA-UHFFFAOYSA-N 358.810 3.475 0 1 FGAF NC1=N[C@@]2(CS1)c1cc(-c3cccnc3F)ccc1O[C@@H]1CCCO[C@H]12 299818727 AKPKNEUYQSSFLE-MDZRGWNJSA-N 371.437 3.085 0 1 FGAF O=C([C@@H](c1ccccc1)S(=O)(=O)O)N1CCC(Cc2ccccc2)CC1 653704164 DPVVWJQMAIBEJV-LJQANCHMSA-N 373.474 3.097 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cc3ccccc3o1)(C(=O)O)O2 587407268 BPJHQRRIQQHTPH-FQEVSTJZSA-N 351.358 3.355 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(-c3c(N)cccc3O)nc2c1 587249289 GPBNVJSNGGQCAQ-UHFFFAOYSA-N 362.183 3.067 0 1 FGAF CCNC(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587229678 BGMSYSBQSKTNPE-UHFFFAOYSA-N 364.165 3.413 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc(Br)cc1)O2 587374613 ZJXMXZWOTXJBBO-QGZVFWFLSA-N 362.223 3.193 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587232482 XTPZXMVUOMVUCK-NWDGAFQWSA-N 353.825 3.392 0 1 FGAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1 587584301 ZNKYQKDOEGDVNC-FXAWDEMLSA-N 350.374 3.311 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc2c(c1)OCO2 587653701 DXUHEWFTOIZSAM-UHFFFAOYSA-N 359.794 3.024 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 587038248 FKVUAHYDQCLOKM-UHFFFAOYSA-N 373.398 3.010 0 1 FGAF Cc1oc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963034440 RIUMQEYVHSEYAJ-QGHHPUGFSA-N 361.239 3.493 0 1 FGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(O)c2)N1 962698012 CKPYBSDIFQQASC-LSDHHAIUSA-N 355.287 3.238 0 1 FGAF Cc1nc2sc3c(=O)n(-c4ccccc4Cl)nnc3c2cc1[C@@H](C)O 1772576194 URGOKKQHJBMJAD-SECBINFHSA-N 372.837 3.406 0 1 FGAF CC(C)C/C=C1/C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13517863 OZBVCLQSUOXWKI-JYKCAJKKSA-N 354.487 3.498 0 1 FGAF CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1F 1857615673 YETPFVJAVNAPPV-UHFFFAOYSA-N 356.806 3.493 0 1 FGAF Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O 586601 FJOBRMRZIMEZQZ-UHFFFAOYSA-N 354.431 3.171 0 1 FGAF O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)C1CCCC1 4105607 CDZQEZWMZFACTF-XMMPIXPASA-N 363.870 3.417 0 1 FGAF CCOc1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 4865514 DMCZJPNTAVYVIL-FZKQIMNGSA-N 351.468 3.222 0 1 FGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@@H]2C[C@@H]21 26475606 LJYCJSCLNVIZHK-LGKSABRCSA-N 363.479 3.191 0 1 FGAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3c2C(=O)NC3)c1 117717686 UITJPHZNGQVUHM-JKSUJKDBSA-N 351.454 3.059 0 1 FGAF O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2n[nH]cc21 28948404 GQVQHZLEHMPPJD-LBPRGKRZSA-N 368.412 3.315 0 1 FGAF C[C@@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]3CC[C@@](C)([C@@H]4COC(=O)O4)C=C3CC[C@H]12 2356554929 BXFOOWNZKVTNCW-GIXGDULASA-N 364.482 3.434 0 1 FGAF COC=C(C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C 2356739389 WAVDUDGTTMFJQX-VVFCZOMOSA-N 354.450 3.426 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(CO)C[C@@]3(CC[C@@H]12)C[C@H]4O 33830120 QUWSFOAAHUTMOI-NDNUHCHRSA-N 350.499 3.296 0 1 FGAF biogenic,in-vitro O=S(=O)(c1ccc(Cl)cc1)n1c2c(c3ccccc31)CCNCC2 40394271 HOHNAGJYNISMAD-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1OC(=O)c1cccc3ccccc13)N2C 195031640 WBVZUODNCPVLSS-WQANXHIZSA-N 353.418 3.021 0 1 FGAF Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cc(C)n1 221619339 ZFMVCHRMLWSPKT-UHFFFAOYSA-N 371.444 3.337 0 1 FGAF Cc1ccc(B(OC(=O)c2ncccc2O)c2ccc(C)c(Cl)c2)cc1 195309298 QYYHTVCCNUPSGG-UHFFFAOYSA-N 365.625 3.020 0 1 FGAF Cc1nccc2c(-c3ccnc(-c4ccc(S(C)(=O)=O)cc4)n3)c[nH]c12 299866541 WDJPGJTYVFXRTA-UHFFFAOYSA-N 364.430 3.399 0 1 FGAF CC(C)(C)c1nnc2sc(COc3ccccc3Cl)nn2c1=O 299827647 GRBJPHNORFNHEA-UHFFFAOYSA-N 350.831 3.076 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccc(F)cc2)N1 587735502 QBSUVZQSGZLVRQ-QGHHPUGFSA-N 367.237 3.464 0 1 FGAF COC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588128 PFCBUJHTMNRODV-WIYYLYMNSA-N 363.369 3.291 0 1 FGAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@H](C)C(=O)O 587401169 QQDPPYBAYCSTNG-DIFFPNOSSA-N 371.389 3.144 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3ncnc32)[C@@H]1c1ccc(F)cc1 587346090 LDPJHYVHKVYQMT-XLIONFOSSA-N 363.348 3.252 0 1 FGAF N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1 586996657 ITPYDQWKDGIPAF-MLGOLLRUSA-N 374.242 3.292 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586920034 DQGWLJSJLBJWPS-UHFFFAOYSA-N 374.315 3.102 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436414 QHUQIYQFMIYHJQ-IYOUNJFTSA-N 359.422 3.211 0 1 FGAF O=c1ccc2cc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)ccc2o1 586918686 QNTLQAOJHAIZLW-UHFFFAOYSA-N 361.401 3.169 0 1 FGAF O=C(c1n[nH]c2c1CCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662197 WXMKXKAEKIRXRP-UHFFFAOYSA-N 374.375 3.103 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@@H]1N=O)[C@@H](C2)C3=O 587429714 QUXHOZZMTHCIAO-KNBMTAEXSA-N 351.358 3.038 0 1 FGAF CN(C)c1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525637 OKODMUPSXBZVII-JOCHJYFZSA-N 362.429 3.444 0 1 FGAF CN1CCN(c2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)CC1 587036045 YYHALBYEAYRSMR-SFHVURJKSA-N 368.506 3.233 0 1 FGAF Cc1ccc(C)c2c1OCC[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230991 RJCWYMYPIAKKNO-CVDCTZTESA-N 374.440 3.477 0 1 FGAF COc1ccc2c(c1)O[C@H]1c3cc4cc(C(C)(C)O)oc4cc3OC[C@@]21O 15261720 XRYDGCQYNMEJEL-PZJWPPBQSA-N 368.385 3.383 0 1 FGAF endogenous,in-man C[C@H](CCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345611 VZEGHYGOTDETNP-HGJKNBTDSA-N 372.502 3.400 0 1 FGAF Cc1sc2nc3c(C(=O)N4CCC(C)CC4)cccn3c(=O)c2c1C 2461899 OJTXHVNQSVMSDT-UHFFFAOYSA-N 355.463 3.398 0 1 FGAF Cc1nn([C@H](C)C(=O)N2CCCCC2)c(=O)c2c1sc1ccccc12 4103920 DOTOMXRXJJNUOG-CYBMUJFWSA-N 355.463 3.493 0 3 FGAF CCO[C@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4141153 XGPPFGCXWBDLEJ-TXTZMMAHSA-N 368.470 3.268 0 1 FGAF CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 7992656 VOLCWHFFNBBUHL-QRVBRYPASA-N 352.434 3.378 0 3 FGAF CC(C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204829 GTLVWWDDHQLZBL-DOMZBBRYSA-N 368.865 3.335 0 1 FGAF CCc1ccc(CNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1 8596698 RDGQVUGMOLDQEV-UHFFFAOYSA-N 367.449 3.446 0 1 FGAF CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCCC1 117727897 KANOCEFCVVZFSL-UHFFFAOYSA-N 350.426 3.387 0 1 FGAF CCCc1cc(C(=O)NCCOc2ccc(CCOCC)cc2C)n(C)n1 103292558 ZDLPLLKHSVVXGP-UHFFFAOYSA-N 373.497 3.069 0 1 FGAF Oc1n[nH]c(C(F)(F)F)c1Cc1ccc(I)cc1 27306015 SERRWSLUDBNGCT-UHFFFAOYSA-N 368.096 3.330 0 1 FGAF O=C(c1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356542587 YBSLQXRHDUPOIN-WMLDXEAASA-N 357.360 3.081 0 1 FGAF COCC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356565792 LLLIMNCLYFQIMS-WAAHBIMHSA-N 362.510 3.257 0 1 FGAF COc1ccc(C[C@@H](C)[C@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 2356647887 XCMBSKCLDDUGOR-PBHICJAKSA-N 358.434 3.462 0 1 FGAF CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccccc1Cl 213998887 BPIOFONJRYTCQB-MDZDMXLPSA-N 359.809 3.294 0 1 FGAF Cc1n[nH]c(C)c1-c1nc(N[C@@H]2CCNC2)c2c3c(sc2n1)CCCC3 223687035 DFMYYBVJOSGSJH-GFCCVEGCSA-N 368.510 3.351 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(c1ccc(F)c(F)c1)C(=O)N2 220520502 ACGNCLWUVXJDDD-IBGZPJMESA-N 356.328 3.425 0 1 FGAF Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccc(F)cc4Cc4cccc2c43)no1 96178941 YIULFJPGIVINAZ-KRWDZBQOSA-N 363.348 3.427 0 1 FGAF CC/N=c1\c(NS(=O)(=O)c2ccc(C)cc2)c(O)oc2ccccc12 617997504 RSGCZXPCPIFQFS-MNDPQUGUSA-N 358.419 3.168 0 1 FGAF N[C@H]1C[C@H]2COc3ccc(-c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C1 206182085 USPGYCNUDIUUHZ-GJZGRUSLSA-N 362.351 3.307 0 1 FGAF COc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 587120117 RZODBKOUZXQOMW-UHFFFAOYSA-N 351.332 3.109 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CC(=O)O)c1C)CC2=O 587474139 BWFJLBZHEIRSFP-HXUWFJFHSA-N 372.421 3.123 0 1 FGAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnnc(O)c2[nH]1 587122776 XOQUCZUXIYYZHQ-UHFFFAOYSA-N 361.283 3.481 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(N)c3)nc2c1 587253903 HIFCRHCHUJHLMM-UHFFFAOYSA-N 361.199 3.146 0 1 FGAF CCN(c1ccc(-c2csc([C@H]3CCOC3)n2)cc1)S(C)(=O)=O 587922964 IWDKPGWWCVWNNE-ZDUSSCGKSA-N 352.481 3.100 0 1 FGAF CC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(F)cc2C1 587383769 GGYSNWAPNYZXHD-NRFANRHFSA-N 368.408 3.329 0 1 FGAF COc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1OCC(=O)NC(C)C 587224587 PEOBLCZTAVRAMR-UHFFFAOYSA-N 374.828 3.190 0 1 FGAF COC[C@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836663 XCNFDXYLNONWJY-APPDUMDISA-N 372.278 3.391 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)c(O)nc1C)CC2=O 587488578 PWKRLBUIKQQIBC-HXUWFJFHSA-N 371.389 3.333 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C(/C)N(C)C)(c1nccs1)[C@@H](C2)C3=O 587451202 JCTKJSCYGSZYIJ-QXZJOVLGSA-N 356.447 3.260 0 1 FGAF COC(=O)c1ccccc1OC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 219707188 LOWVPYAXIDSUQE-ZDUSSCGKSA-N 365.426 3.224 0 1 FGAF biogenic CCc1cc(CNC(=O)CCc2nnc(CCCc3ccccc3)o2)on1 11762857 ZAMPGBUOYPFEPA-UHFFFAOYSA-N 368.437 3.044 0 3 FGAF CC[C@H]1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 15203396 METLQVFFFUYXNT-PCMMCCAGSA-N 354.450 3.044 0 3 FGAF COC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166366171 YKBKBANREBCUSV-ZDUSSCGKSA-N 371.412 3.138 0 1 FGAF COc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cn1 1857571132 VDHUPZQWSQHISU-UHFFFAOYSA-N 366.406 3.419 0 1 FGAF Cc1cc(C)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1 1857598020 LLOMRQACFGEWSF-UHFFFAOYSA-N 369.442 3.341 0 1 FGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N(C)C 771931 ZCOKOTHSZCBVMR-AZUAARDMSA-N 368.433 3.274 0 1 FGAF COc1ccc(-c2csc(N)c2C(=O)NCc2ccncc2)cc1OC 103147459 BMIXSWACCAJICI-UHFFFAOYSA-N 369.446 3.340 0 1 FGAF Nc1nc(N)c2c(ncc3c2ccn3Cc2ccc(Cl)cc2Cl)n1 27527277 TXVAXIDEEBXFCZ-UHFFFAOYSA-N 359.220 3.499 0 1 FGAF Fc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccncc2)cc1 21289983 AYKRXRVXSJGBJP-UHFFFAOYSA-N 352.413 3.083 0 1 FGAF Cc1c(C(=O)NCc2ccc(F)cc2)sc(=O)n1Cc1ccccc1F 61906859 IVNLYMIVHGTAQW-UHFFFAOYSA-N 374.412 3.475 0 3 FGAF CN1C(=O)[C@@](C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 26189618 KRYKJSKXDBEMED-NRFANRHFSA-N 369.896 3.349 0 1 FGAF NC(=O)c1cccc2c(NCc3ccc(Br)cc3)ncnc12 114344279 ONDIGGGYJRDIFY-UHFFFAOYSA-N 357.211 3.103 0 1 FGAF COc1cc2c(C(=O)O)cnc(C(=O)c3c(F)cccc3F)c2cc1OC 34410008 LAEOTYPYJMLYGD-UHFFFAOYSA-N 373.311 3.459 0 1 FGAF COc1ccc(-c2oc3cc(O)cc(OC)c3c(=O)c2OC)cc1OC 14644580 ALBAPSOWJBCDGT-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@](O)(c2ccccc2)CC1 43120376 RVUCFBVJACHZFJ-GOSISDBHSA-N 365.882 3.402 0 1 FGAF in-vivo O=C(NC1CC1)c1ccc(N2CCC(COc3cccc(F)c3)CC2)nc1 45167519 BQDQURSBHSKKPL-UHFFFAOYSA-N 369.440 3.408 0 1 FGAF O=C(N[C@@H](CO)CSCc1ccccc1)c1coc(-c2cccs2)n1 82084516 UHNJQCVDNZNQRM-AWEZNQCLSA-N 374.487 3.427 0 1 FGAF CCNC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 146841372 GREQKMJTHSNTMP-UHFFFAOYSA-N 361.409 3.011 0 1 FGAF c1ccc(-c2nc(-c3nnc(SCCN4CCOCC4)o3)cs2)cc1 98084578 LRPRIJKARLWJFD-UHFFFAOYSA-N 374.491 3.284 0 1 FGAF CCOC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083576 ROZGXDONSSDLGY-UHFFFAOYSA-N 351.761 3.400 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@]2(C)CC[C@H]2O[C@@]2(C)CC[C@H]1C(C)(C)O 238779086 RWOFDISHDBCLMX-YBQIQBSZSA-N 352.471 3.141 0 1 FGAF O=C1C=C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]2O[C@@H]2c2ccccc2)O1 95560298 SXDWURVOACIILU-PRUKPFKCSA-N 362.381 3.233 0 1 FGAF Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1 95574455 QOQWGXFCUOWNQI-UHFFFAOYSA-N 352.785 3.036 0 1 FGAF COC(=O)C1=CCC[C@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238756350 UWQVIOGQUQQNPO-WQFNPXDMSA-N 372.417 3.235 0 1 FGAF CC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895804 HKQKKWWMRZRAPL-VSKRKVRLSA-N 352.478 3.027 0 1 FGAF CCOC(=O)/C(=C\I)[C@H](O)c1ccccc1Cl 299830554 IOIAAHMENGXUPI-GXMKHXEJSA-N 366.582 3.255 0 1 FGAF N=C(NN)N1Nc2onc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 473124774 XAJQBMUPQSNIMG-OAHLLOKOSA-N 354.801 3.125 0 1 FGAF CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)cc1 653723290 PVGBXGFZMFHFIH-UHFFFAOYSA-N 362.476 3.118 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]ccnc2-3)N1 587806184 VLLJZMQQWCMVLM-RTHLEPHNSA-N 361.218 3.435 0 1 FGAF Brc1c[nH]c2nc(Cc3csc(-c4ccco4)n3)nc-2n1 587016878 FPAGLAWUZIKDRP-UHFFFAOYSA-N 362.212 3.374 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cnc4[nH]3)cc12 587038973 WDBQLHLHKBPZAK-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF COC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587803827 CAGXLZAAPJSBMG-PSLIRLAXSA-N 356.235 3.291 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(C)C)c2ccccc21 587402067 WZXWUJZMFAISQY-NRFANRHFSA-N 350.418 3.441 0 1 FGAF O=C(CCc1nc2cc(Br)cnc2[nH]1)Nc1cccc(F)c1 587164155 ZPDUVPALIXWRNH-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587236323 UQCAGNJIGZXLIU-NKWVEPMBSA-N 351.250 3.450 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccn1)CC2=O 587484870 GSHOOQQROATBIR-HXUWFJFHSA-N 355.390 3.164 0 1 FGAF CCOC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990208 BCZFJUNYXWXOJE-NSHDSACASA-N 359.381 3.430 0 1 FGAF COC(=O)Cn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391207 QFKDMEQOSUWBGO-LJQANCHMSA-N 364.401 3.411 0 1 FGAF CCn1ncc([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587390883 JURNYBQEGSLMIU-WHXUGTBJSA-N 354.454 3.038 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)NC(C)C)cc1)[C@@H](C2)C3=O 587430975 XEXSZQBITWSQQN-JXFKEZNVSA-N 351.402 3.322 0 1 FGAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2c1cn(CC(=O)OC(C)(C)C)cn1 963728692 HUMRXBYPKIGUMP-IBGZPJMESA-N 351.450 3.488 0 1 FGAF CCOC(=O)C1(C(=O)OCC)CC[C@@]2(C1)NCCc1c2sc(C)c1C 963032994 WEAIKPWCPAYGMG-IBGZPJMESA-N 365.495 3.002 0 1 FGAF O=C(O)CCSc1nnc(-c2cccnc2)n1CCc1ccccc1 5522770 YYRGISXYSXVRAP-UHFFFAOYSA-N 354.435 3.150 0 1 FGAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 13488381 UZCVIBSSODXGNY-VJKINUSGSA-N 359.466 3.172 0 1 FGAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccsc4)c(=O)n1c23 1857536105 JTKUNPITOYUUCD-SNVBAGLBSA-N 372.421 3.345 0 1 FGAF O=C1[C@@H]2C[C@H]2CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644091 LFXGXBRXYSLKHQ-DAXOMENPSA-N 370.399 3.302 0 1 FGAF C[C@H](C(=O)N=c1ccn(Cc2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 1857755580 HADHHNDMEQNPDU-HNNXBMFYSA-N 366.440 3.301 0 1 FGAF CO[C@@H]1CC(=O)c2c(cc(C)c3c2O[C@H](C)[C@]3(C)[C@@H](O)CC=C(C)C)[C@@H]1O 2356326624 YTSDPGXQZGDXTJ-YJCVIDLTSA-N 374.477 3.386 0 1 FGAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@H](O)C[C@H]1O 2356435051 PJDMFGSFLLCCAO-WKWVNEEDSA-N 368.514 3.131 0 1 FGAF O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 6803979 GAFNHLCRQOMUMT-KRWDZBQOSA-N 355.825 3.191 0 1 FGAF C[C@@H]1CCN(c2nc(Nc3ccc(C(N)=O)cc3)ncc2C(F)(F)F)C1 1911575553 CNMSKBUBZCUNLA-SNVBAGLBSA-N 365.359 3.184 0 1 FGAF CC1=C(C(=O)N2CCC(N3CCCCC3)CC2)C2(CCCCC2)OC1=O 20532892 XXXZEGOSFMROPM-UHFFFAOYSA-N 360.498 3.040 0 1 FGAF COc1cc(C[C@H]2NCC[C@H]3C(F)=C(O)C(O)=C[C@H]23)cc(OC)c1OC 100990516 IUCYJGARTZONQF-FRRDWIJNSA-N 365.401 3.044 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)[S@]2=O 101084348 NKUSUAHXFNBDLN-VZHZIJBESA-N 357.269 3.005 0 1 FGAF COC(=O)C1=CCC[C@@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 2356418022 VDWIZUGYFOMUJZ-WLRLJWMZSA-N 366.498 3.292 0 1 FGAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCCO1 26401509 VKJIFNGYVOYFIA-MDMHHNQBSA-N 368.477 3.114 0 1 FGAF Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 22941419 BKDQVRCFIJMWOR-IBGZPJMESA-N 363.505 3.090 0 1 FGAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@H](O)C(C)(C)O 2356662690 BZMLULUMBUVADU-AWEZNQCLSA-N 356.846 3.273 0 1 FGAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CSc1ccccc1)CC2 72108504 NRJKALHVLBENIW-LHSJRXKWSA-N 372.486 3.415 0 1 FGAF COc1cccc(OC)c1-c1cc(=O)c2c(O)cc(OC)c(OC)c2o1 14644455 SSJWWCKNRIUXON-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic COc1cc2nncc(-c3cnc(NC(C)C)c(CO)c3)c2cc1OC 73296792 IBTJNNJVYVAUJI-UHFFFAOYSA-N 354.410 3.022 0 1 FGAF O=C1CCC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1 71329047 KUKUXFCXSKUEDU-UHFFFAOYSA-N 350.418 3.043 0 1 FGAF O=C(NCCc1cccnc1Cl)c1ccnc2nc(-c3ccoc3)[nH]c12 84655531 XATTWOQASIHXNV-UHFFFAOYSA-N 367.796 3.239 0 1 FGAF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2)cs1 82192116 XPSNOLWVWCJJDW-HNNXBMFYSA-N 373.457 3.220 0 1 FGAF COC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 141915673 CAPSJRIYUZHTNY-UHFFFAOYSA-N 360.845 3.302 0 1 FGAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95894479 CJVCYXYZWBPABX-QKNQBKEWSA-N 370.880 3.426 0 1 FGAF COC(=O)Nc1ccc2c(CSC(=S)N(C)C)cc(=O)oc2c1 299863807 LOFQBPIYDYGYES-UHFFFAOYSA-N 352.437 3.051 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc(CN2CCOCC2)cc1 299822046 NUQWPVAOHJCSQI-UHFFFAOYSA-N 365.355 3.185 0 1 FGAF Oc1nc2ccsc2c(N[C@@H]2CCNC2)c1-c1nc2ccccc2[nH]1 299822769 BPZPMNUSOUACHX-SNVBAGLBSA-N 351.435 3.319 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCC1OCCO1 587617059 OOLAMODTZCZNOP-QAPCUYQASA-N 356.374 3.266 0 1 FGAF Cc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1C 586931813 KVWLOIJWSNTMQK-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc4sc(=N)[nH]c14)[C@@H](C2)C3=O 587454024 ULHVNIKSMHEYQR-HXPMCKFVSA-N 352.415 3.380 0 1 FGAF O=C1C[C@@H](Cc2nc3cnccc3[nH]2)c2c(Br)cccc2O1 587003002 IVGVLMMAUIRLBD-SECBINFHSA-N 358.195 3.356 0 1 FGAF Oc1nncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116836 KZTLTHVFZODBTE-UHFFFAOYSA-N 372.738 3.047 0 1 FGAF C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1ccc(C(F)(F)F)n1 587651966 SHGHYMHKTRQZEL-QMMMGPOBSA-N 370.718 3.167 0 1 FGAF COC(=O)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586912531 FTKIVZJUGSBJJP-UHFFFAOYSA-N 352.390 3.152 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc2c1 587787379 VDXDSJUZHXXJBL-HUUCEWRRSA-N 350.374 3.293 0 1 FGAF Cc1onc(-c2nc3ncnc(N)c3[nH]2)c1COc1ccc(Cl)cc1 587076830 VOPJOEMERLMHKB-UHFFFAOYSA-N 356.773 3.131 0 1 FGAF Cc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203489 QUYDDIVJYYWJDX-MRXNPFEDSA-N 353.378 3.314 0 1 FGAF Cc1[nH]c(=N)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612229 LHVJALYGAHGBKG-AUUYWEPGSA-N 368.414 3.447 0 1 FGAF COc1ccc(N2C(=O)c3ccccc3N/C2=C/CC(=O)O)c(OC)c1 957725173 OODODORMYCFBRQ-MFOYZWKCSA-N 354.362 3.092 0 1 FGAF COc1ccccc1[C@]1(c2ncccc2C)NCCc2nc3ccccn3c21 962980112 BQXQZEAEPQMAKN-HSZRJFAPSA-N 370.456 3.484 0 1 FGAF Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)nc1 1857621106 LTFABJBNOYJDTL-UHFFFAOYSA-N 350.241 3.279 0 1 FGAF CC(C)(C)OC(=O)N1CC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)C1 205771677 JBPRNRPMVKPCEG-FUHWJXTLSA-N 355.438 3.071 0 1 FGAF Cc1cc(Nc2cc(Cl)c(N3CCOCC3)c(Cl)c2)nc(N)n1 1772627022 ZMKRWPDDXICONQ-UHFFFAOYSA-N 354.241 3.254 0 1 FGAF COc1ccc(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)cc2N)cc1 5034542 UBXDSOIZJLMFPV-UHFFFAOYSA-N 363.826 3.031 0 3 FGAF COC(=O)[C@H]1[C@H]2CC[C@H]3[C@@]14CC[C@H](C)[C@]31C[C@@H](c3ccoc3)O[C@@H]1O[C@H]4O2 5845360 GRJSIUBKDJRQIL-SDZXLEBQSA-N 374.433 3.424 0 1 FGAF CCN(CC)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 12580578 OFFIKINEJBSBCW-UHFFFAOYSA-N 355.360 3.480 0 3 FGAF CC(C)COC(=O)N1[C@H](COCc2ccccc2)CCC=CS1(=O)=O 13830845 NJVQPWBNMKGADS-KRWDZBQOSA-N 367.467 3.304 0 1 FGAF C[C@@H]1C(=O)Nc2cc(Cl)ccc2C(=O)N1Cc1ccc(C(=O)O)cc1 1857640728 SBXGDJCXPYWMMI-SNVBAGLBSA-N 358.781 3.021 0 1 FGAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc4c(c3)OCO4)no2)c1F 1857770543 JSOSXHNDFIRFMP-UHFFFAOYSA-N 374.299 3.026 0 1 FGAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760322 SZZBUHPYJPMOLX-FUHWJXTLSA-N 374.481 3.018 0 1 FGAF COc1ccc(Oc2ncc3ncc(=O)n(CCc4ccccc4)c3n2)cc1 4238461 REUXTPXUNKRNLX-UHFFFAOYSA-N 374.400 3.230 0 1 FGAF O=C(NC1CCCC1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 100109048 NLCKAQRYGVHNGD-AERCQKQUSA-N 362.477 3.140 0 1 FGAF OCCOc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335086 CIHPIJHUAGKONW-IBGZPJMESA-N 366.465 3.011 0 1 FGAF CSCCn1/c(=N/C(C)=O)sc2cc(OC(F)(F)F)ccc21 26716710 YNHUZZMRMVQKER-ATVHPVEESA-N 350.387 3.412 0 1 FGAF COc1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)ccc1C 28955428 SOJPBWWACVQBPM-UHFFFAOYSA-N 364.445 3.198 0 1 FGAF NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1 28826394 DGWBMEUDKKFNMO-UHFFFAOYSA-N 361.445 3.348 0 1 FGAF in-vitro CNCCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O 28710374 RJNNBDYQEUNVDL-UHFFFAOYSA-N 353.470 3.132 0 1 FGAF CC[C@@H](C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 27557883 RATDZOGGTIZXPX-AEFFLSMTSA-N 361.486 3.168 0 1 FGAF COc1c2c(cc3ccoc13)C(=O)[C@H]1c3cc4c(cc3OC[C@@H]1O2)OCO4 3978998 RZZBXVGBWLOHHV-HOTGVXAUSA-N 366.325 3.290 0 1 FGAF biogenic CC[C@H](C)O[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272652 NJTPFBVLRXJXJH-LRDDRELGSA-N 366.849 3.233 0 1 FGAF CO[C@@H](C)c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12 84742109 CTFINRCUYZLLMP-ZDUSSCGKSA-N 350.422 3.304 0 1 FGAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(F)cc2)C(=O)O)cc1OC 95586630 TZQWPXGVRUMLJY-OPUMOTSWSA-N 374.364 3.095 0 1 FGAF COC(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997689 QOLSETUMEIXVIM-CYBMUJFWSA-N 374.238 3.355 0 1 FGAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587069762 KCPPGYOLRYBNTQ-ZDUSSCGKSA-N 354.841 3.386 0 1 FGAF CC[C@H]1OCCC[C@@H]1c1nc2cc(I)cnc2[nH]1 586913770 SKHDVSJNZPFYBU-GXSJLCMTSA-N 357.195 3.235 0 1 FGAF Nc1c(F)cc(-c2nc3cc(I)cnc3[nH]2)cc1F 587134560 JOFQEVYCHGAHHZ-UHFFFAOYSA-N 372.116 3.090 0 1 FGAF COCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762686 ZJWQICGFWVSNEW-QFYYESIMSA-N 368.250 3.055 0 1 FGAF Cc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587027877 IMKFQZPSPLAAPO-UHFFFAOYSA-N 351.229 3.020 0 1 FGAF COC(=O)/C=C/c1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401856 ZFDUJDWSSLCGGQ-JXTAAOLFSA-N 353.374 3.176 0 1 FGAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(Oc4cc(OC)cc5c4C(=O)[C@H]1C5)[C@H](C3)C2 587443819 PWSKLSJSIKWARF-QTXPWXERSA-N 368.429 3.181 0 1 FGAF Cn1nnc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1C(F)F 587128846 RQSFKYYQUPEZMW-UHFFFAOYSA-N 363.553 3.107 0 1 FGAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C(C)=O)c(C)cc2c1 685935586 ROEUVWKBMXMQTB-UHFFFAOYSA-N 358.346 3.127 0 1 FGAF biogenic,in-vitro C[C@H]1C(=O)OC=C[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962958980 PUJAAIOORGKHGC-SGTLLEGYSA-N 367.367 3.259 0 1 FGAF Cc1nc(-c2cccnc2)sc1[C@@H]1NCCc2c(C(=O)O)cccc21 963126668 WOFVDVWJQOFGKZ-MRXNPFEDSA-N 351.431 3.447 0 1 FGAF Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)C(=O)c1ccccc1)C2 12123854 NNAIIKDXMNQUBS-GOSISDBHSA-N 372.424 3.360 0 1 FGAF O=C(NCCN1CCN(c2cccc3ccoc23)CC1)C1CCCCC1 13738313 HKCRMBIUNPZIEQ-UHFFFAOYSA-N 355.482 3.251 0 1 FGAF COc1ccc(CNC(=N)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1 1857570104 YCXULVWHPFRROE-IBGZPJMESA-N 351.450 3.262 0 1 FGAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)Nc2ccccc2)CC12CC2 1857653108 RKIQMMHUMJWNKZ-INIZCTEOSA-N 362.437 3.091 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H](CCCCCCC[C@H](O)CC(=O)O)C=CN21 2356419658 ZLNYRERDDPYJNH-IEWDOMPSSA-N 353.503 3.300 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@@H](CCCCCCC[C@H](O)CC(=O)O)C=CN21 2356419659 ZLNYRERDDPYJNH-MTHXSQLBSA-N 353.503 3.300 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@@H]3OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356383084 ZHTPTXDAVDVETG-UXZGAFCBSA-N 360.450 3.234 0 1 FGAF CC[C@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103182944 XGUUUFAZHKYGHN-ZDUSSCGKSA-N 354.454 3.491 0 1 FGAF CCCCN1C(=O)C[C@@H](C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643283 WBWAIROHOVDOHM-TXPKVOOTSA-N 370.493 3.475 0 1 FGAF Cc1nn(C(C)C)c(C)c1CNC(=O)Nc1nnc(C(F)(F)F)s1 23214063 BBPAVRMNJRBUIT-UHFFFAOYSA-N 362.381 3.273 0 1 FGAF O=C(c1cccc(Cl)c1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26173687 SGCHOJPBTAUVER-SFHVURJKSA-N 354.837 3.312 0 1 FGAF COc1ccc(CN2CC[C@@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC2=O)cc1 2356809326 AQALFWKOIUZMFD-QZTJIDSGSA-N 372.509 3.328 0 1 FGAF CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 12529884 MKWPNAPQANSTHU-ROUUACIJSA-N 362.433 3.161 0 1 FGAF biogenic O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccccc2)n1 84728911 FTYPTPGIIWETQX-UHFFFAOYSA-N 364.474 3.472 0 1 FGAF CC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95568795 HKQKKWWMRZRAPL-YPAWHYETSA-N 352.478 3.027 0 1 FGAF Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC(C)C)cn1 141364296 GVAMUSKAIPNUSE-UHFFFAOYSA-N 352.394 3.157 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2=O)cc1 25410471 BNMIRIAPRHBQIM-WMZOPIPTSA-N 371.481 3.272 0 1 FGAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CO)n2)N1 587768954 FGRLGNUPHMSQJE-FVMDXXJSSA-N 351.219 3.099 0 1 FGAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456412 UWPBQOZMKBGBPO-ASSNKEHSSA-N 368.385 3.362 0 1 FGAF CCOC(=O)CC[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436188 MXMXTIBKIWUVKC-IIBYNOLFSA-N 367.401 3.076 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC(C)=O)C(=O)OCC)CC2=O 587480446 JWEFMZQCXHKLTR-YWZLYKJASA-N 362.422 3.227 0 1 FGAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc(Cl)c(F)cc12 587631477 NIKZAQURKQTWKR-AWEZNQCLSA-N 366.820 3.277 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)cnc2[nH]1 587193930 IXYNKVGNJYXGGX-NSHDSACASA-N 353.854 3.129 0 1 FGAF Nc1ccc(-c2cc(O)n(-c3cccc(Br)c3N)c2O)cc1 587936552 VRAZPIVEJOAYEM-UHFFFAOYSA-N 360.211 3.482 0 1 FGAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 586911825 MIFCLOJYAJUMSW-WMLDXEAASA-N 365.499 3.266 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)ccc(Cl)c41)[C@@H](C2)C3=O 587420549 IMCUWRHVOFCGND-WLRWDXFRSA-N 355.777 3.252 0 1 FGAF COc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2n1 587244447 IUPKOLWNLGHOQO-UHFFFAOYSA-N 363.377 3.106 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cc1 587228998 XEJMTALYBCQCQR-UHFFFAOYSA-N 368.393 3.070 0 1 FGAF Cc1nccc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 586945249 CAFSYSPKJVLLLE-UHFFFAOYSA-N 374.447 3.066 0 1 FGAF CN(C)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336932 MYVUTTVPRJFYJF-QUCCMNQESA-N 357.381 3.127 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn[nH]1 587859364 IKAKVXFDDNDXPE-UHFFFAOYSA-N 352.181 3.062 0 1 FGAF Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1 145049112 BGCBAVYVPIXMRK-UHFFFAOYSA-N 360.826 3.180 0 1 FGAF CC(=O)C[C@H](c1ccc([S@](C)=O)cc1)c1c(O)c2ccccc2oc1=O 5159747 AQJSRROQSBLBDW-AKJBCIBTSA-N 370.426 3.347 0 1 FGAF CN1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3N(C)[C@@H]12 13605095 TZWAHCVRZYUKJR-CTNGQTDRSA-N 351.450 3.344 0 1 FGAF C[C@H](Cc1ccsc1)NC(=O)CCc1nnc(COc2ccccc2)o1 13636879 KFOYNBRWRXPGQU-CQSZACIVSA-N 371.462 3.390 0 3 FGAF N=c1ccc(-c2ccc(OCc3ccccc3)cc2)nn1CCCC(=O)O 169293591 PTJXEJYDOYCHOL-UHFFFAOYSA-N 363.417 3.473 0 1 FGAF CO[P@@](=O)(CC(=O)O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 200550608 GMFAYEGNLKWRNN-SHACYNPGSA-N 357.343 3.294 0 3 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2c(F)cccc2F)nn1 203462739 MZWCPHSFAKRDPN-UHFFFAOYSA-N 372.375 3.074 0 3 FGAF O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)[nH]1 101354838 KXTYCYFHUXYZOR-IYBDPMFKSA-N 368.412 3.287 0 1 FGAF Cc1cc(C)nc(N2CCC(CNC(=O)CCc3ccccc3)CC2)n1 1355233 CQJGWHPBQJCLIT-UHFFFAOYSA-N 352.482 3.059 0 3 FGAF COc1cc(CCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC 1625546 IZBWTCOGZBRZCM-UHFFFAOYSA-N 359.466 3.438 0 1 FGAF CCCC(C)(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(OC)c(OC)c1 61906430 WDJUZNIUHWJBOZ-FQEVSTJZSA-N 362.470 3.460 0 3 FGAF CC[C@@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12 28568846 NPKHWEBWIFDKHH-NSHDSACASA-N 361.496 3.144 0 1 FGAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 2356521117 KJTANPQTPGUKEA-YCPHGPKFSA-N 363.527 3.111 0 1 FGAF CCCCC[C@H](O)CC[C@H]1[C@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1O 2356560973 LLQBSJQTCKVWTD-VPAKFMSCSA-N 356.503 3.267 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356874403 YVTRTWJBTSGZJW-HWCCDPAYSA-N 357.498 3.224 0 1 FGAF CC(C)[C@@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O 71332235 HXVAXOYPIPUCRY-NRFANRHFSA-N 362.385 3.313 0 1 FGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)nc(C)n2ccnc12 138409856 IPXNSCRXLXHBIZ-UHFFFAOYSA-N 350.401 3.436 0 1 FGAF O=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccoc1 82081766 YQJBSPGGIAXCSO-UHFFFAOYSA-N 374.809 3.444 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1ccco1 25428228 SEUCFFWPLINLFB-SJLPKXTDSA-N 354.450 3.474 0 1 FGAF biogenic CC(=O)N1N=C(c2c(O)[nH]c3ccccc3c2=O)C[C@@H]1c1ccccc1C 96938796 USNMYXAWYQQUJI-GOSISDBHSA-N 361.401 3.240 0 1 FGAF C[C@@H]1NC(=O)[C@H](CCC(=O)Oc2ccc3oc4ccccc4c3c2)[C@@H](C)N1 618016131 GDIZEAZHVXLFES-VNHYZAJKSA-N 366.417 3.342 0 1 FGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C\C(N)=O)CC[C@]12O 377853486 ZFPUPJZOCAMUGF-HWVXHMCGSA-N 361.526 3.163 0 1 FGAF O=C1C(c2ccc3c(c2O)[C@H](O)c2ccccc2C3=O)=Nc2ccccc21 68601253 PEWGEMKJMVIABW-HXUWFJFHSA-N 355.349 3.335 0 1 FGAF biogenic CCOc1cccc(NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 473153712 CNZIDPVXUFSJEM-MRXNPFEDSA-N 355.390 3.096 0 1 FGAF CN1C=CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587338929 OZGMKYLUJRIKGS-XLIONFOSSA-N 353.349 3.005 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1nc2cc3c(cc2s1)OCO3 587653830 MORFMQKPCRRTCY-UHFFFAOYSA-N 357.778 3.378 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccccc1OC)[C@@H](C2)C3=O 587429853 BHXDCCRLIVOFFK-QKKBWIMNSA-N 362.385 3.378 0 1 FGAF COC(=O)[C@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587806005 IHLHPXOFRPTRQH-XQJJYNOISA-N 356.235 3.291 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(CO)cc3[nH]2)cs1 587020045 DIZUTDYSIQSGKX-UHFFFAOYSA-N 360.439 3.450 0 1 FGAF Cc1cnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970395 ZAQZYGWTAVFCAV-UHFFFAOYSA-N 367.390 3.337 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3=C2COCO3)N1 587838786 PDONWICCWUIJAJ-XXFAHNHDSA-N 354.219 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1F)[C@@H](C2)C3=O 587427060 GOPUZFDBKNCUIQ-BONVTDFDSA-N 364.170 3.481 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccn4)c1C)[C@@H](C2)C3=O 587430378 DVUFNTCLYGIDQS-YCRPNKLZSA-N 361.401 3.381 0 1 FGAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2n1 587241485 DKGNVGRGSSIPSF-UHFFFAOYSA-N 352.394 3.396 0 1 FGAF CC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730261 MNODUOJBCUBNJV-SUMWQHHRSA-N 366.339 3.012 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CN1CCNCC1)c1ccccc1 963231982 BWCIRRDNDXCNNP-YKSBVNFPSA-N 363.549 3.492 0 1 FGAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cn1 1772635986 YFWUCNSQZDMOQH-GOSISDBHSA-N 358.873 3.395 0 1 FGAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cn2)ccc1F 204414523 UXCBNHIUNRZNAA-INIZCTEOSA-N 357.351 3.408 0 1 FGAF COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2cccs2)cc1 1379457 ZWCSPPCKWQQDNY-MRXNPFEDSA-N 359.451 3.069 0 3 FGAF COc1ccc2cc3c(N)nn(C(=O)CSc4ccncc4)c3nc2c1 4885203 WJIZKZPPVRUQDI-UHFFFAOYSA-N 365.418 3.003 0 1 FGAF CCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216404 LBNXYRXOAIVQOR-ZFWWWQNUSA-N 368.865 3.385 0 1 FGAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cncnc3)cc2)c1 100106434 YCLXFQUSYGAYNT-JKHIJQBDSA-N 372.472 3.092 0 1 FGAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C(=O)c3ccc(OC)cc3)C1)C2 2356421466 LDBBRUZLTVFOCV-YJBOKZPZSA-N 364.445 3.150 0 1 FGAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc(F)c2)N2CCNCC2)cc1 22939806 XKUBARQOTAUWNS-NRFANRHFSA-N 369.484 3.302 0 1 FGAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1 218398228 CXCOEVVCWFVERF-UHFFFAOYSA-N 362.220 3.101 0 1 FGAF CC1=C2CC[C@](C)(O)CCC[C@](C)(O)[C@H]3CC[C@@](C)(C[C@@H]2OC1=O)O3 2356849597 PXEMQPAVJBVDGS-NXHKRRBXSA-N 352.471 3.022 0 1 FGAF CC(C)(C)OC(=O)N1CCN(c2nccc(NCc3ccccc3)n2)CC1 71296810 KPRZSZGTEISOFZ-UHFFFAOYSA-N 369.469 3.146 0 1 FGAF CC(C)c1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 74378270 ZENKTQUATHGPRH-RBUKOAKNSA-N 370.474 3.234 0 3 FGAF COc1cc2c(c3c1[C@H](O)[C@@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 14684691 APXKYALORJTRLL-IPMKNSEASA-N 354.402 3.407 0 1 FGAF biogenic CO[C@@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@H]3c3ccc(O)c1c32 14724616 VNVXZDRVVHCQPB-KNXALSJPSA-N 350.370 3.144 0 1 FGAF biogenic CC(=O)NC[C@H]1c2c(n(C)c3c(Cl)c(Cl)ccc23)C(=O)NC1(C)C 73197043 YXZWNHHOFQHYJC-JTQLQIEISA-N 368.264 3.227 0 1 FGAF CCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1 49049026 OXVKAENYXSMWHO-UHFFFAOYSA-N 359.401 3.247 0 1 FGAF Nc1ncc(-c2ccc(C3CCC3)c(Oc3cc(=O)[nH]cn3)c2F)cn1 224555107 XFNFGMKAZJAJIM-UHFFFAOYSA-N 353.357 3.008 0 1 FGAF COC(=O)[C@]12C=C[C@H]3O[C@H](O)[C@@]4(CCc5ccoc5)[C@@H](C)CC[C@@]1(C2)[C@@H]34 238750973 BRSFRAPHIHWJKB-ARWYLSQWSA-N 358.434 3.081 0 1 FGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2=CC[C@H](O)CC2)nc1 149568629 XZMMWKAYVRDZIF-RYRKJORJSA-N 367.449 3.299 0 1 FGAF COc1ccc2ccc(=O)oc2c1/C=C\[C@H](CO)COC(=O)CC(C)C 238786356 LPBBOCMPCDPSPZ-HJHHMULASA-N 360.406 3.013 0 1 FGAF CCOC(CNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1)OCC 95603714 OLOACNFFZFDVKW-UHFFFAOYSA-N 371.359 3.224 0 3 FGAF CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](C)O1 254224455 POHNKSHNRFOJER-QZHFEQFPSA-N 370.401 3.219 0 1 FGAF COc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1OC 587175884 XOCUSRWBXDPLDQ-CYBMUJFWSA-N 354.385 3.443 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C(/C)N(C)C)(c1nccs1)[C@@H](C2)C3=O 587451188 JCTKJSCYGSZYIJ-AXSKBRMVSA-N 356.447 3.260 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccnc1Cl)[C@@H](C2)C3=O 587421137 NWCWVLYREZDIRS-BUXKBTBVSA-N 372.808 3.279 0 1 FGAF COc1cc(OC)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc2c1 587216424 BHSNJEWGZAVNAE-MRXNPFEDSA-N 353.422 3.308 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166898 JRMMGTNIHKEPTN-MDZDMXLPSA-N 373.409 3.148 0 1 FGAF CC(=O)N[C@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1 586984727 IIKQLRMBLOIHKZ-CQSZACIVSA-N 374.238 3.451 0 1 FGAF C=C1NC(=O)NC=C1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990436 XNPMFBJXQNLRFJ-UHFFFAOYSA-N 355.353 3.319 0 1 FGAF CCOC(=O)CC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862386 MFTKWIMKDKUPNL-UHFFFAOYSA-N 356.300 3.171 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)CCCC2=O)N1 587818078 PNTNXYCMGMJSNG-XYZCENFISA-N 368.246 3.276 0 1 FGAF Cc1cc2c(cc1F)[C@@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2 962094732 UWSNFMDDGDINIA-KRWDZBQOSA-N 356.224 3.141 0 1 FGAF Cc1cnccc1[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668614 PCPYDTFZOLZQJD-FGZHOGPDSA-N 361.445 3.300 0 1 FGAF Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(F)c4)C3)c(N)c2c1C 221823102 TYUOZIKLBHKFBG-UHFFFAOYSA-N 374.416 3.350 0 1 FGAF O=c1nc2oc(C3CC3)cc2cn1Cc1cn(-c2ccc(Cl)cc2)nn1 1772585914 GXODGWQDNOJDQV-UHFFFAOYSA-N 367.796 3.149 0 1 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)C3CCCCC3)ncc12 1772583558 FDWLBFLVSUFXSI-SNVBAGLBSA-N 360.418 3.227 0 1 FGAF OC/C=C/[C@H](OCc1ccccc1)[C@H](/C=C/CO)OCc1ccccc1 5822318 FNXJSYYICOKACB-SQBSDWFCSA-N 354.446 3.254 0 1 FGAF O=S1(=O)c2ccccc2Oc2cccc(I)c21 13779766 GAYKVOKJQMEOFW-UHFFFAOYSA-N 358.156 3.230 0 1 FGAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2n[nH]nc2c1 202124207 AGQDKECPRXZSBF-NSHDSACASA-N 374.404 3.255 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCCc4ccccn4)ncc23)ccn1 205447369 YKKFQTHNEJNGGX-UHFFFAOYSA-N 373.420 3.088 0 1 FGAF CCN(CC)CCNC(=O)c1cc(OCC(F)(F)F)nc2ccccc12 1857562751 WDTCPBUOTAOCOY-UHFFFAOYSA-N 369.387 3.248 0 1 FGAF Cc1ccccc1CN1CCN(CC(=O)NCCC2=CCCCC2)C1=O 4930586 KYLCSTNZHXFLOB-UHFFFAOYSA-N 355.482 3.239 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2cccc(C)c2)nn1 1911577506 HUORZFJKAJHQHU-VQHVLOKHSA-N 365.389 3.261 0 1 FGAF Nc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@@H]1CCc3ccccc3C1=N2 53246998 AECMDTLIMQWHQN-HOTGVXAUSA-N 356.433 3.491 0 1 FGAF COc1ccccc1N1CCN(CCCCN[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100776646 VACNWTUDQQTSIL-VAMGGRTRSA-N 357.542 3.376 0 1 FGAF CC(C)Nc1ccc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nc1 25971159 VRPNTFMBIIIQSN-UHFFFAOYSA-N 363.465 3.346 0 1 FGAF CCNC(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568679 ZQUXDOJBDFPTDM-FAMSNFMUSA-N 357.494 3.362 0 1 FGAF in-vivo O=c1sc2ccccc2n1CCCN1CCN(C2CCCCC2)CC1 29135491 KUIPFHRLGGNMLR-UHFFFAOYSA-N 359.539 3.403 0 1 FGAF Cc1ccccc1C(=O)OC[C@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45497674 PPXALMKAXPVEAT-DGJFXRHUSA-N 358.434 3.337 0 1 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccccc3F)c2)n1 87612980 NLSOIKXFMMTRFC-UHFFFAOYSA-N 353.401 3.281 0 1 FGAF COc1ccc(C2=C(O)/C(=C(\C(=O)O)c3ccc(OC)cc3)OC2=O)cc1 199657511 ZBEMJNACGOWNSL-FBMGVBCBSA-N 368.341 3.026 0 1 FGAF O=C(Nc1ccc(O[C@@H]2CCOC2=O)cc1)NC12CC3CC(CC(C3)C1)C2 84757397 VJMQIUDNCIQIDO-YXSDIZSPSA-N 370.449 3.471 0 1 FGAF COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C[C@H](C)C3=O)c12 40380034 PTBFJCLJPIBYAJ-JTQLQIEISA-N 368.418 3.089 0 1 FGAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 45388971 GAPMIGVZZJVPIM-FQEVSTJZSA-N 369.852 3.350 0 1 FGAF O=C(NC1CC1)c1ccc(N2CCC[C@H](COc3ccccc3F)C2)nc1 45195427 XJGQMMFQWUJUKY-HNNXBMFYSA-N 369.440 3.408 0 1 FGAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](OC(C)=O)C[C@H]12 238742524 GNGATPZQRQSIHC-CIQOUTPZSA-N 372.461 3.371 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cscn4)ncc23)ccn1 261088313 DAQQDHVYPQKHIW-UHFFFAOYSA-N 365.422 3.107 0 1 FGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299884233 SRRHFMWOIPRSKC-YQVWRLOYSA-N 372.852 3.319 0 1 FGAF C[C@H]1C[C@@H](C)C[C@@H]([C@H]2C[C@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H]1O 299816581 GZWODCBDYVQTID-HLBSYGQUSA-N 365.514 3.190 0 1 FGAF Oc1nc(O)c2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2n1 587121672 DEZCRDYGSLTXGX-UHFFFAOYSA-N 372.328 3.096 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(N)cc4ccccc34)[nH]c12 587251459 FBMZAXYBVDBOFN-UHFFFAOYSA-N 366.446 3.216 0 1 FGAF CNc1c(F)cccc1-c1nc2cc(I)cnc2[nH]1 587135505 DYAHHBMTQBYGGD-UHFFFAOYSA-N 368.153 3.410 0 1 FGAF CC1(C)OC(=O)C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)O1 587206811 NMTXCMVHVPOCNX-UHFFFAOYSA-N 373.364 3.366 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccc(F)cc2)N1 587737441 XNTUIKWRFUBUMV-BMLIUANNSA-N 367.237 3.464 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C3CC3)C[C@H]2C)N1 587759294 FPVRTKGEAKDEKL-CZIZLABSSA-N 353.279 3.432 0 1 FGAF COC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595775 STAWYSGLIMOGNO-JXFKEZNVSA-N 356.374 3.312 0 1 FGAF CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc2ccccc2o1)[C@@H](C)O 142836554 VXPDITAXMDWBTP-BEFAXECRSA-N 374.481 3.389 0 1 FGAF C[C@@]1(CO)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1 1772625575 XPJWLGZQJGVNCV-FQEVSTJZSA-N 352.342 3.028 0 1 FGAF O=C1O[C@H](O)c2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 14640916 RXFWNFQXBZITHO-FQEVSTJZSA-N 364.309 3.126 0 1 FGAF biogenic,in-vitro O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1 104387655 CYMUQKWPHCOSDQ-UFYCRDLUSA-N 371.396 3.133 0 1 FGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)[C@@H](c2ccccc2)C[C@H]3[C@H]1C5 26840357 DWROUHBHTAABDG-UAIRLVHKSA-N 361.441 3.024 0 1 FGAF COc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1 28129986 IXQXYBZXTHWIKR-UHFFFAOYSA-N 368.458 3.264 0 1 FGAF O[C@@H](c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26008601 ANLXICFIPWEMIN-DLBZAZTESA-N 364.232 3.206 0 1 FGAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@H]2N1CCN(CCO)CC1 26669911 BZBHGCBFWKSYCV-IFMALSPDSA-N 354.469 3.321 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC 2356695182 WNBMQMMGBBWUOZ-RDGPPVDQSA-N 366.498 3.340 0 1 FGAF N[C]1C=CC(I)=CN1CC(=O)c1ccc(Cl)cc1 2356839128 ZYULKXOAGMPDGZ-UHFFFAOYSA-N 373.601 3.119 0 1 FGAF CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)NCc1ccccc1 5411851 GLPGMMKOWDTXKZ-ROUUACIJSA-N 354.450 3.474 0 1 FGAF biogenic O=C(c1ccccc1F)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74377426 AWMLGLFYTQMFOP-XHDPSFHLSA-N 362.763 3.493 0 3 FGAF CN1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72141083 QNWZDUYKZZHAGJ-UHFFFAOYSA-N 359.477 3.430 0 1 FGAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C)NC2(C)C)c2ncccc2c1 45289562 KJTHKMJERXZIQY-LSDHHAIUSA-N 370.497 3.380 0 1 FGAF COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2CO)ccc1O 135913889 XPTDFIBAVHSZED-UHFFFAOYSA-N 358.390 3.240 0 1 FGAF CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NNC1=O 82159703 YDPKOPVWGHCUAF-UHFFFAOYSA-N 373.472 3.472 0 1 FGAF COc1ccc2c(CS(=O)(=O)c3ccc(Cl)cc3)cc(=O)oc2c1 84669064 OKMQMRNUHXIAJB-UHFFFAOYSA-N 364.806 3.429 0 1 FGAF Cc1cc(Nc2nc(NCc3ncccc3C)ncc2Br)n[nH]1 84732098 RPXBCSPUWUZWJR-UHFFFAOYSA-N 374.246 3.330 0 1 FGAF O=C(CC(=O)c1nnc[nH]1)c1ccc(OCc2ccc(Cl)cc2)cc1 96916197 LDUHVHGPKUUJKX-UHFFFAOYSA-N 355.781 3.493 0 1 FGAF CN(c1ccccc1)[C@@H](c1ccc(F)cc1)c1nnnn1C[C@H]1CCCO1 245230049 KTRHXHKCTSKFGP-MOPGFXCFSA-N 367.428 3.217 0 3 FGAF C1=CN2C=CC1=NCCOCCN=C1C=CN(C=C1)Cc1cccc(c1)C2 377853797 QJFBMZBEYWRRHK-UHFFFAOYSA-N 360.461 3.285 0 1 FGAF CC[C@@H](C)c1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 587554656 MJFVELAISHCXTL-LLVKDONJSA-N 352.394 3.131 0 1 FGAF Nc1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 586999605 AMFBSTFLUPATNF-LBPRGKRZSA-N 371.242 3.026 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cnnn3)cc1)CC2=O 587474928 IKXQACXYIVHDHC-FQEVSTJZSA-N 364.405 3.201 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232419 WYEZRHLLEIZPOG-NXEZZACHSA-N 371.268 3.301 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc(C(F)(F)F)cc1)O2 587381217 HQCTZVDYTCFLNH-QGZVFWFLSA-N 351.324 3.449 0 1 FGAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587960729 APHGHYUUIOIQIJ-SFYZADRCSA-N 351.200 3.181 0 1 FGAF COc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587771747 CNJQCORVCHVKSM-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCSCC4)nc1)[C@@H](C2)C3=O 587454079 UTRQMVIFNVGURF-YWZLYKJASA-N 368.458 3.132 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(O)ccc31)CC2=O 587484772 ICAQBJPIBGFILA-FQEVSTJZSA-N 354.358 3.220 0 1 FGAF CCc1ccccc1NC(=O)c1nc2cc(CN3CCOCC3)ccc2[nH]1 587240699 HXKRQJCWWIVBKQ-UHFFFAOYSA-N 364.449 3.210 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)N1CCCC1 13756538 XKZSTDUTLOLSSW-QAZZVPAXSA-N 366.505 3.257 0 1 FGAF CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)N2 169363919 NPUPASYITYXDSJ-FQLMCAECSA-N 369.246 3.494 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2N=O 169727057 SWDPAEPGKDAOQL-ZBRFXRBCSA-N 364.467 3.260 0 1 FGAF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OC)cc1 1857546111 LTLSVJKGUFHTDZ-UHFFFAOYSA-N 359.403 3.064 0 1 FGAF CCCCN=c1[nH]c2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857648637 ZBCLHJYEMVOSFZ-HRAATJIYSA-N 371.550 3.500 0 1 FGAF NCc1c(N)nc(N2CCSCC2)nc1-c1ccc(Cl)cc1Cl 3961855 JBKQCDCXBRRKLB-UHFFFAOYSA-N 370.309 3.045 0 1 FGAF O=C(Nc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccccc1 4018920 LPQKOVDADYNDOZ-QXGSTGNESA-N 360.413 3.474 0 1 FGAF CCCCC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@H](O)CCCC(=O)O 2356430300 IXAQOQZEOGMIQS-IPMKNSEASA-N 352.471 3.129 0 1 FGAF CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@@H]1N2C 100837665 WPSZKOIIDITBPV-GXZBSRFJSA-N 358.265 3.094 0 1 FGAF COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC 101444593 HKJYGPPOMQQLIZ-HZPDHXFCSA-N 370.449 3.222 0 1 FGAF COc1cc(OC)c(-c2nc(C)c(-c3cccnc3)[nH]2)cc1NC(C)=O 27522800 OIRVDXVPUUUZAN-UHFFFAOYSA-N 352.394 3.423 0 1 FGAF COCC[C@H](CC1(C(=O)N[C@@H](C)Cc2ccccc2)CCCC1)C(=O)O 28640483 WJHYMCIIUNXORJ-FUHWJXTLSA-N 361.482 3.422 0 1 FGAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@](C)(O)[C@@H]2C)ccc1O 2356828848 ILPKIWSJRANONE-YFMVFKIRSA-N 358.434 3.493 0 1 FGAF CCCc1ccccc1OS(=O)(=O)c1ccc(N2CCCNC2=O)cc1 72110959 NLMJIAJCFKOGQR-UHFFFAOYSA-N 374.462 3.327 0 1 FGAF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Cl)c(Cl)c1 71340598 OKMODECVUIAURE-CJNGLKHVSA-N 357.189 3.097 0 1 FGAF C[C@@H]1CN(C(=S)N2CCN(c3ccccc3)CC2)N=C1c1ccccc1 40861391 LJMOAEOVILJZOK-QGZVFWFLSA-N 364.518 3.450 0 1 FGAF C[C@H]1C[C@H](C)[C@H](O)[C@@H]([C@@H]2C[C@H](CC(=O)NCc3ccccc3)CC(=O)O2)C1 40499297 IVTAHNQJAAUGMY-ZOLJSFKYSA-N 373.493 3.058 0 1 FGAF COc1ccc2c(c1)O[C@H]1c3[nH]c4ccc(OC)cc4c3CCN1C2=O 220302204 ATVAPEMZNAGRMM-FQEVSTJZSA-N 350.374 3.275 0 1 FGAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CCC[C@@H]2CO)cc1OC 144742421 MDBIKEYWTAYHSB-CEXWTWQISA-N 363.498 3.031 0 1 FGAF CNC(=O)CCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144784316 LGQBQVPPSJXEMQ-GOSISDBHSA-N 365.351 3.370 0 1 FGAF COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 96283748 CVGSJQCEOMANDN-UHFFFAOYSA-N 353.330 3.061 0 1 FGAF Cc1noc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587793823 LKSXKLDFXQLADH-ANRSDYALSA-N 354.223 3.272 0 1 FGAF COC(=O)[C@H](N=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587623678 ZEHPWDFDUANHFS-GFCCVEGCSA-N 351.160 3.096 0 1 FGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccnc2[nH]1 586937041 KIESZETVMNUQHT-CQSZACIVSA-N 364.858 3.287 0 1 FGAF COc1cc(OC)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587008270 KSSXNDJUQPDUCT-UHFFFAOYSA-N 374.198 3.052 0 1 FGAF O=S(=O)(CCc1nc2cncc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 586920805 RKARVDQCLAUGFJ-UHFFFAOYSA-N 361.854 3.116 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](/C(Br)=C/N(C)C)CC2=O 587451706 JZQYILKYGVZXQI-HMVFGEFZSA-N 354.244 3.476 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C 587768058 ZRLSXFCYGTZGOT-JDNHERCYSA-N 352.251 3.428 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587159129 ZSKMNXJFWHXGQR-HXUWFJFHSA-N 366.396 3.195 0 1 FGAF CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382656 NJJVGXDPXOUVCA-PEKVBPLLSA-N 369.364 3.030 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1nnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587438185 NHLVFLBVKCKXOW-KKSFZXQISA-N 361.401 3.247 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CC2)N1 587754304 JLBXTWDJGSKXQE-YGRLFVJLSA-N 369.278 3.470 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ncccn1 587657283 TXLJXXDRFOWAIA-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccccc12 587596228 PWDRONMYPGYQDT-UWJYYQICSA-N 359.337 3.201 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CN1CCNCC1)c1ccccc1 963231979 BWCIRRDNDXCNNP-RDPSFJRHSA-N 363.549 3.492 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(NC(C)=O)c(O)c1 963257428 KDECKAHVLSNKMG-IBGZPJMESA-N 360.841 3.422 0 1 FGAF CCOC(=O)c1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)o1 962641189 ZIVJZVHEJYPIOQ-KZULUSFZSA-N 359.422 3.439 0 1 FGAF Cc1ccccc1-c1ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc1 166022986 RHMKDXWHIAONSO-QGZVFWFLSA-N 369.417 3.029 0 1 FGAF CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 15111825 MZYZWZXTHYCVHQ-NAPLMKITSA-N 354.487 3.043 0 1 FGAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773686 LVFDDMOZIJFHIJ-UHFFFAOYSA-N 358.369 3.489 0 1 FGAF O[C@H]1[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C[C@H]1O 2356316889 ABIGVQAHXVGLGA-ZJPYXAASSA-N 351.368 3.073 0 1 FGAF COc1cccc(C(=O)N2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)c1 2356446500 LADKKQNVKPUHJP-MRXNPFEDSA-N 370.380 3.206 0 1 FGAF CCc1nn(C)c(C(=O)N[C@H](CO)c2ccc(C(C)(C)C)cc2)c1Cl 103173730 RAVIQIRWFFWWLW-OAHLLOKOSA-N 363.889 3.397 0 1 FGAF O=C(Nc1ccccn1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097116 MEFFZFPAANBURZ-QLPKVWCKSA-N 371.462 3.083 0 1 FGAF O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26851276 UAVUOLYCVZKKFU-NRFANRHFSA-N 360.392 3.415 0 1 FGAF COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]2C)cc1 61923302 UVTHUTZIRLUASK-HNAYVOBHSA-N 352.434 3.319 0 3 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C([C@@H](C)C(=CC(=O)O)CC3)[C@H](O)C[C@@H]21 2356473287 AGSAINARGNMCLQ-HZIRTTFPSA-N 362.466 3.474 0 1 FGAF CC1(C)C(=O)N(CCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O 71317307 DLCXIKNBVMIEPE-UHFFFAOYSA-N 364.445 3.289 0 1 FGAF CCCCN1C[C@@H](CSC)[C@H](CC(=O)Nc2ccc(OC)cc2)C1=O 72136691 UUGHQANEKWDSNT-YOEHRIQHSA-N 364.511 3.262 0 1 FGAF CC1(C)O[C@@H]1Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819299 MNDUMUBSRKMPEO-SJLPKXTDSA-N 356.374 3.230 0 1 FGAF biogenic CCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccccc1F 82150301 ACAASJCOIINFQY-UHFFFAOYSA-N 360.433 3.261 0 1 FGAF NC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)c(F)c4)nn23)cc1 82083245 KSINTSLIRFPLQU-UHFFFAOYSA-N 364.355 3.364 0 1 FGAF CC1(C)Oc2cc(C(=O)c3ccncc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669244 GVNUDQIBBDTGFP-BZUAXINKSA-N 353.418 3.434 0 1 FGAF COC(OC)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O 148924098 LEFYBCRSYAXHML-UHFFFAOYSA-N 370.434 3.429 0 1 FGAF COC(=O)C(C)(C)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1 143834340 UKVAASXUVURSEK-UHFFFAOYSA-N 362.433 3.187 0 1 FGAF Oc1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586970278 VWAYINGZEKIVMU-UHFFFAOYSA-N 368.374 3.340 0 1 FGAF COc1cc2c3c(c1)O[C@@](CN)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O 587426927 BBLIPJKYARNYRQ-CNBXIYLPSA-N 353.418 3.004 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(Cl)c[nH]c-4n3)cc2N1 587126846 NKHGXGOKTPVSSK-FSPLSTOPSA-N 357.727 3.129 0 1 FGAF O=C(O)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1F 586966329 BFRDTHGVVGZCIR-UHFFFAOYSA-N 371.353 3.138 0 1 FGAF COC(=O)C(C)(C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595823 UCFOHGQAXVMIMG-MGPUTAFESA-N 356.374 3.312 0 1 FGAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cnc1Cl 587422159 SARLUBGPGRJDFU-BDJLRTHQSA-N 359.765 3.019 0 1 FGAF FC(F)COc1cccc(-c2nc3nccc(Br)c3[nH]2)n1 587126729 XWLCAOZHHWWPGB-UHFFFAOYSA-N 355.142 3.426 0 1 FGAF N=C(N)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029022 FRAMTMZAFKOYCY-UHFFFAOYSA-N 373.445 3.368 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)n2cncn2)N1 587757280 GSCYNDZNWFFMOP-HWPZZCPQSA-N 367.266 3.364 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O 587433819 WXQFOMGZMZBTII-DBLBYYFGSA-N 367.401 3.031 0 1 FGAF Cc1csc(SCc2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)n1 587022133 UTHCEBAQPYAWTI-UHFFFAOYSA-N 354.464 3.490 0 1 FGAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)s1 587013636 AIFPKUQSSOZAHJ-JTQLQIEISA-N 355.427 3.068 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@@]2(CCOc3c(F)cccc32)N1)C(F)(F)F 962729102 GRZQDIDAVUNHIT-MAUKXSAKSA-N 365.326 3.498 0 1 FGAF CC1=CN2CCS(=O)(=O)N=C2C(c2ccc(OC3CCCCC3)cc2)=N1 114246812 PXJBHEHFVQVDDS-UHFFFAOYSA-N 373.478 3.106 0 1 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccc(F)cc3)ncc12 1772606453 HMCGKEABHUTRJK-OAHLLOKOSA-N 372.404 3.038 0 1 FGAF O=c1cc(N2CCOCC2)oc2cc(OCc3cccc(F)c3)ccc12 13677010 QSGBHBQIQIBCHS-UHFFFAOYSA-N 355.365 3.348 0 1 FGAF C/C=C(\C)C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccoc2C)C1 14992853 RINIZLLXXYXUAC-WLRTZDKTSA-N 367.449 3.072 0 1 FGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1 1857562808 ITNRFVNXGVGVIE-UHFFFAOYSA-N 362.474 3.410 0 1 FGAF CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 4991404 AHZSDSQIBCQUBH-SFHVURJKSA-N 357.498 3.198 0 3 FGAF CN1CCN(c2nc3ccccc3nc2C(=O)c2ccc(Cl)cc2)CC1 6480793 AZFAVCONKLIHPB-UHFFFAOYSA-N 366.852 3.266 0 1 FGAF CCOC(=O)[C@@H](CC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6751424 SKHFZHKOVZMPDX-MRXNPFEDSA-N 368.437 3.022 0 1 FGAF COc1cccc2nc(C[C@H]3CN(CC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356302670 LXHOMEONGIBPHH-CABCVRRESA-N 359.470 3.183 0 1 FGAF COc1ccc(-n2nc(C)n(CCSc3cccc(OC)c3)c2=O)cc1 58512073 YLYQAXSGDOKCBI-UHFFFAOYSA-N 371.462 3.152 0 1 FGAF Cc1ccc(CN2CCN([C@H]3CCc4ccccc4N(C)C3=O)CC2)cc1 26248940 OIUKKROQEBASAU-QFIPXVFZSA-N 363.505 3.090 0 1 FGAF COc1ccc([C@H]2CC[C@@H](OCCCn3c(C)nnc3C)O2)cc1OC 29316799 MIYGHOXHROYWHR-APWZRJJASA-N 361.442 3.197 0 1 FGAF CCO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@H]23)[C@@H]1O 2356674122 WFWVEYQUMRMWGD-UZWKXWHHSA-N 364.397 3.014 0 1 FGAF COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2)cc(OC)c1OC 64372853 BMUJFZPBYUTHJY-KRWDZBQOSA-N 355.438 3.217 0 1 FGAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSc1ncccc1O)C(=O)O 26026312 JHEDEOKFVYJLEE-BFTHVDOESA-N 364.467 3.180 0 1 FGAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2OC 34648424 NBHQVSARENATMP-FQEVSTJZSA-N 368.364 3.389 0 1 FGAF COC(=O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1C(=O)OC(C)(C)C 71340397 PGJPHGLMCAEVGG-KBPBESRZSA-N 355.818 3.270 0 1 FGAF CC(=O)Cc1cccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1 35792317 HPSGNLPKUWWXQQ-NRFANRHFSA-N 371.502 3.280 0 1 FGAF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H]3OC(=O)[C@@H]4[C@@H](C)CC[C@@H]4[C@H]3C)OC(=O)[C@H]12 34235518 KLFPATKRXRCHCY-YRWVAXNXSA-N 350.455 3.366 0 1 FGAF Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 138143110 OJTFQDDQXUJDHJ-UHFFFAOYSA-N 362.311 3.140 0 1 FGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccco2)C1 82142620 XOMGJMDBTZALDN-LSDHHAIUSA-N 372.469 3.446 0 1 FGAF COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3 147535645 YCTUXWAAVAKJHR-UHFFFAOYSA-N 361.394 3.059 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)O2 587392541 BQDRKLMMOKPNHJ-KSMMKXTCSA-N 367.449 3.292 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N(C)C)n2)N1 587739421 BDSKDQFOVLGHQJ-RFAUZJTJSA-N 365.250 3.068 0 1 FGAF CC1=C(c2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)NNC(=O)C1 586881522 WYMJRXSPOVSKLQ-VQHVLOKHSA-N 374.400 3.083 0 1 FGAF NC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611842 KDZYNBFNPVEPIW-APWZRJJASA-N 353.399 3.270 0 1 FGAF CCOC(=O)c1[nH]c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587437646 IJWLVBJLWOUFFD-YJYMSZOUSA-N 355.390 3.306 0 1 FGAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587648770 HIODIHSVJXSHPW-UHFFFAOYSA-N 363.357 3.086 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)ncc3[nH]1)C2 587246670 IMRMNOIEEBYUDF-QGZVFWFLSA-N 362.355 3.328 0 1 FGAF COc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1O 963022451 JFOCYYWTAAPRSP-XTZNXHDOSA-N 358.825 3.197 0 1 FGAF COC(=O)c1ccc2nc([C@H]3NCCc4c(OC)ccc(Cl)c43)[nH]c2c1 963259162 RWUGOHJVQMADQE-KRWDZBQOSA-N 371.824 3.247 0 1 FGAF O[C@H](CO[C@H]1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1 1772574741 QRQUUBYCEQWSIG-GOTSBHOMSA-N 366.505 3.091 0 1 FGAF CCCNC(=O)CSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169366253 SPZZQXFLVUPSCH-JFPXKEMXSA-N 369.527 3.241 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2ccccc2Cl)nn1 203462678 MFVRPYNPKNJTBH-UHFFFAOYSA-N 356.813 3.390 0 3 FGAF CC(C)[C@H](CO)NCc1nc(N2CCc3cccc(F)c3C2)ccc1F 204415490 NUCYRGNWZFPVII-IBGZPJMESA-N 361.436 3.029 0 1 FGAF CN1CCC(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)C3)CC1 1857581869 ZTDBLOKGFYLBNG-UHFFFAOYSA-N 356.491 3.200 0 1 FGAF CC(C)[C@@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857649001 MJCWPISTEYQNBA-AWEZNQCLSA-N 358.442 3.372 0 1 FGAF COc1ccccc1[C@@H]1CC(c2cc3ccccc3oc2=O)=NN1C(C)=O 35950333 NYIVGWHWAOZHME-SFHVURJKSA-N 362.385 3.499 0 1 FGAF CC(C)OC(=O)C(=Cc1cc(O)nnc1-c1ccccc1)C(=O)OC(C)C 28825805 SQJALAMLAJEKDP-UHFFFAOYSA-N 370.405 3.136 0 1 FGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1cccnc1)CCCC3 28968797 IYWZZUSGMOJBHW-QGZVFWFLSA-N 365.433 3.299 0 1 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2C 28565658 ORFLNTHIEFVEDL-OYNPSCLESA-N 366.461 3.497 0 1 FGAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3cccs3)O[C@H]2[C@@H]1OC 28572118 LCEBLKMUYIANSK-GLXKALDVSA-N 362.447 3.332 0 1 FGAF O=C(COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)NO 114300261 HPNIXARDKQZMQF-UHFFFAOYSA-N 362.748 3.050 0 1 FGAF COC(=O)C1=C2CCC3=C2[C@]2(CC(=O)[C@@H]4[C@H](C)CN5C[C@H](CC3)[C@]2(C)[C@@H]45)C1 2356693165 ZZXVVDFMOPWZCH-NCURBDGSSA-N 367.489 3.276 0 1 FGAF CCN1CC[C@@H](n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1 28862238 IIIUJAFGZIWHQL-OAHLLOKOSA-N 355.463 3.136 0 1 FGAF COCC[C@H](CC1(C(=O)N[C@H](C)Cc2ccccc2)CCCC1)C(=O)O 28640488 WJHYMCIIUNXORJ-SJLPKXTDSA-N 361.482 3.422 0 1 FGAF CCC[C@@H](C(=O)c1ccc(N)c(I)c1)N1CCCC1 42919843 OCJJDONQQSQZLT-AWEZNQCLSA-N 372.250 3.321 0 1 FGAF in-vitro CCOc1ccc2nc(C)cc(N3CCN(C(=O)c4ccco4)CC3)c2c1 40973295 SKIMAWJZDXFYKF-UHFFFAOYSA-N 365.433 3.497 0 1 FGAF c1ccc(Cc2ncc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)s2)cc1 587021286 HNGMFIQLMMPAEP-UHFFFAOYSA-N 359.418 3.253 0 1 FGAF COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587934041 AIHAHFFLQDDUGA-JEOXALJRSA-N 351.406 3.293 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@H]2CCCC[C@@H]21 587027894 UDFHCMYLSQPHDM-KBMXLJTQSA-N 367.478 3.489 0 1 FGAF COC(=O)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707475 WACNNBXYNTYIAG-PWCHPLFNSA-N 370.140 3.053 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)[nH]2)N1 587793614 ROAOZZBEZHITKI-UOWDBTKRSA-N 353.191 3.238 0 1 FGAF NS(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587960377 BNNYAKRBHPAWKQ-UHFFFAOYSA-N 363.442 3.468 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 586945188 AZYHYFUYZROXOG-UHFFFAOYSA-N 359.451 3.059 0 1 FGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(O)c2)N1 962698011 CKPYBSDIFQQASC-HUUCEWRRSA-N 355.287 3.238 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(C4OCCCO4)c3)c3cccc1c32 963026778 KMWBJRNVUWTSMH-HRAATJIYSA-N 364.445 3.265 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)CO 13812910 LIKBOJNXLDAXPE-AIOPYVAHSA-N 363.542 3.353 0 1 FGAF COc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(F)cc(F)c2)CC1=O 205767091 PDOJSZSTQHXRET-GFCCVEGCSA-N 360.360 3.273 0 1 FGAF Cc1cccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 1857753953 SVCKTJPCTMTJIT-UHFFFAOYSA-N 352.463 3.438 0 1 FGAF Cc1ccccc1Nc1nc(N)nc(COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 6913036 DQSLDMQPJAEKCK-ZNMIVQPWSA-N 367.453 3.375 0 1 FGAF Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccc(F)cc4Cc4cccc2c43)no1 26161376 YIULFJPGIVINAZ-QGZVFWFLSA-N 363.348 3.427 0 1 FGAF Cc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CCCC2)n1 101550447 DCOMOTPXWHBHEY-IHYPZVAVSA-N 355.482 3.112 0 1 FGAF COc1ccc(-c2cc(CO)n(C[C@H](O)c3ccc(Cl)cc3)n2)cc1 66258873 PNYNRTUKRHEABY-IBGZPJMESA-N 358.825 3.438 0 1 FGAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc([C@@H](N)C(=O)O)cc1 29127770 UGPBQETWJTXWQU-QGZVFWFLSA-N 367.430 3.334 0 1 FGAF COc1cccc(-c2cc3nc(NCCN)c4ncc(C)n4c3s2)c1 28950721 HWIDIXYYYBFSPD-UHFFFAOYSA-N 353.451 3.299 0 1 FGAF COc1ccc(C=CC[C@H](CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1 2356702646 NECYZFRKTWYGPO-UTKZUKDTSA-N 358.434 3.458 0 1 FGAF C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1Cl 72118813 FKZPHHNJWMTMNN-CQSZACIVSA-N 361.873 3.354 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2c(C)cccc2C)C1 36380771 HILWQKOYBBDAQN-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF c1cc(Oc2cncc(NCc3ccco3)n2)cc(N2CCOCC2)c1 82068748 BNDVKFPGYPKYMR-UHFFFAOYSA-N 352.394 3.311 0 1 FGAF COc1ccccc1C(=O)c1cc[n+]([O-])c(-c2ccccc2Cl)c1N 43058914 XCSIIGXERHHQDO-UHFFFAOYSA-N 354.793 3.462 0 1 FGAF COC(=O)/C=C1/CN2[C@H]3CC[C@@H]2[C@@H]1[C@H](c1ccc(Br)cc1)C3 89774808 ZMKPUZMPYBNAFS-DHIYTQLCSA-N 362.267 3.499 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(OC(C)C)c3)C2)cc1 142313644 NXXVKLPIESIDQJ-HNNXBMFYSA-N 369.465 3.334 0 1 FGAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2O)cc1O 39053558 DKGDHEIPQFHMLN-UHFFFAOYSA-N 360.362 3.037 0 1 FGAF biogenic Cc1cnc2[nH]cnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c1-2 473154406 HEDMPIZYYJEXOE-UHFFFAOYSA-N 363.356 3.458 0 1 FGAF CCNC(=O)Nc1cn(-c2ncccn2)c2cc(-c3cccnc3)cnc12 653757115 POFPPABXMSIODC-UHFFFAOYSA-N 359.393 3.019 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3cccs3)CC1)O2 587414268 SQCLYAKHWOWSNJ-UHFFFAOYSA-N 356.447 3.279 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586920823 RQTGDYREJCRZDM-UHFFFAOYSA-N 372.233 3.247 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(OC)ccc21 587483842 MNGROGYLFZGRGT-FQEVSTJZSA-N 353.374 3.166 0 1 FGAF Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587170954 VQAUFKKVICXDPR-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(F)c(Br)c2[nH]1 587256875 SGJOSINBINLZAL-SECBINFHSA-N 372.238 3.066 0 1 FGAF Cc1[nH]c2cc(F)ccc2c1C(=O)CCN1C(=O)c2ccccc2C1=O 587637090 UWVIYGKPBBYNEW-UHFFFAOYSA-N 350.349 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(s1)SCC(=O)N4)[C@@H](C2)C3=O 587451961 LUQOSTVZDWWJFI-XTZNXHDOSA-N 373.455 3.464 0 1 FGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O 587401849 ZDIVWHQKGICNEN-HXUWFJFHSA-N 355.390 3.392 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccccn1)(c1ccccn1)O2 587394459 VJODQJXKAUHADH-OAQYLSRUSA-N 359.385 3.111 0 1 FGAF Cc1c(F)ccc2c1[C@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)NCC2 962295541 DYTDLBDFRVKRHV-DYESRHJHSA-N 360.473 3.057 0 1 FGAF CN1C(=O)C[C@H]2CN[C@]3(CC(C)(C)Oc4ccc(O)cc43)c3cccc1c32 963022457 JGUTUXRWJBKZDV-WHEQGISXSA-N 364.445 3.250 0 1 FGAF COc1cc(OC)c2c(c1)OC[C@@H](c1ccc(OC)c(OC)c1OC)C2=O 14645826 FGJPFUFQGPZGNB-ZDUSSCGKSA-N 374.389 3.089 0 1 FGAF biogenic COC(=O)c1cccc(NCCCN2CCN(c3ccccc3)CC2)c1 169339945 LNNCWDSIVUTSEK-UHFFFAOYSA-N 353.466 3.097 0 1 FGAF C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)ccc2O)cc1 169685083 MIHWBRIDGXHMIH-NSHDSACASA-N 352.394 3.231 0 1 FGAF NC(=O)c1ccc2[nH]nc(-c3cccc(OCCN4CCCCC4)c3)c2c1 164757015 QXGJVXWGUUKVOW-UHFFFAOYSA-N 364.449 3.194 0 1 FGAF Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 203054533 IXLPHBYXVAJQKE-UHFFFAOYSA-N 364.306 3.047 0 1 FGAF NCc1cc(Nc2cccc(C(=O)Nc3ccccc3)c2)n2ccnc2n1 1857595197 MIXNDBUHXTXJSA-UHFFFAOYSA-N 358.405 3.184 0 1 FGAF CN(C(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)c1ccccc1 4712780 FYNNCOLXGNGQLS-UHFFFAOYSA-N 355.825 3.330 0 1 FGAF COc1cccc(C(=O)N2CC[C@@H]3COC(=O)N3c3ccccc3C2)c1 2356291325 QQJDLARJUPMLQR-MRXNPFEDSA-N 352.390 3.067 0 1 FGAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC[C@@H](C)C1 7005237 SNNLFPBGVLDUKS-GFCCVEGCSA-N 364.467 3.388 0 1 FGAF O=C(c1nc2ccccc2s1)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 28397735 PPXMXPNQGMHBDU-SDADXPQNSA-N 369.490 3.001 0 1 FGAF CNC(=O)c1ccc2c(=O)n(CC(C)C)c(CN)c(-c3ccccc3)c2c1 72105921 WOAGDDDUVDBZSA-UHFFFAOYSA-N 363.461 3.143 0 1 FGAF CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cc(C)ccc3nc2Cl)S1 98083280 NNOOHEIYUOYVHA-HNNXBMFYSA-N 362.842 3.198 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)NCc3cccc(F)c3)coc2c1 95587363 ARAMOFHBVHKMRB-VMPITWQZSA-N 353.349 3.270 0 1 FGAF O=C(O)/C=C1/CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1SO 299853173 GRUGUUKMIXOMMR-QHXWSXNTSA-N 365.426 3.137 0 1 FGAF C[C@@H]1C=CCC(=O)NCc2cccc(c2)CNC(=O)N[C@H]1c1ccccc1 299813915 KSBGAXIOHACUNA-IIBYNOLFSA-N 363.461 3.439 0 1 FGAF CC(C)[C@H](CC(=O)N1CCN(C)CC1)Nc1ccnc2cc(Cl)ccc12 299836085 GBNZNAXVBMLWIM-SFHVURJKSA-N 374.916 3.489 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(Cc1nc(-c4ccccc4)no1)[C@@H](C2)C3=O 587437177 FGVWYSQVMRCRDI-BTYIYWSLSA-N 362.385 3.494 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O 587421474 MMSYXXJIVLVSTE-XXFAHNHDSA-N 351.189 3.455 0 1 FGAF COC(=O)C[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590340 CARUXAMVRFDPIQ-NQIIRXRSSA-N 368.385 3.456 0 1 FGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587938728 ZIOPGIZGNLKCOR-PELKAZGASA-N 352.316 3.169 0 1 FGAF Cc1cc2nc(-c3nccnc3I)[nH]c2cc1F 587186649 MYBCWIRGIBVYLP-UHFFFAOYSA-N 354.126 3.072 0 1 FGAF COc1nccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126568 YMUBOVREGYMGHT-OIBJUYFYSA-N 352.320 3.138 0 1 FGAF Cc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1C 587024177 PEISOZDMEWLNQJ-UHFFFAOYSA-N 359.455 3.391 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](N)Cc1ccccc1 587872309 UDGXBBAXFFGRLK-KRWDZBQOSA-N 353.397 3.298 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(C)n1 587867285 AUVDUCFMLIUBHQ-UHFFFAOYSA-N 362.311 3.364 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccco2)(c2cccnc2Cl)N1 962901788 SYOLDOPENQCZPX-IFXJQAMLSA-N 372.783 3.358 0 1 FGAF C[C@@]1(c2ccnnc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182937 RZVOXGPYQMCNOK-ABAIWWIYSA-N 371.746 3.011 0 1 FGAF CC(=O)Oc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962712990 OXCGIHXZSIAEAZ-IRXDYDNUSA-N 363.335 3.347 0 1 FGAF Cc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962629880 IJVKVKJFDHIAID-WMLDXEAASA-N 366.339 3.151 0 1 FGAF Cc1ccc2c(c1)[C@@]1(C(=O)N2C)c2cccc(Br)c2CCN1C 963289446 NETIETFBCXICIJ-LJQANCHMSA-N 371.278 3.465 0 1 FGAF O=C(Nc1cc(-c2ccc([C@H]3CNCCO3)cc2)[nH]n1)c1ccc(F)cc1 205116499 BTLWTCVLPJVDEZ-GOSISDBHSA-N 366.396 3.129 0 1 FGAF COc1ccc(Cn2c3c(cc(OC(C)=O)c2=O)Cc2ccccc2-3)cc1 1863596 MURDMMHETDQDEU-UHFFFAOYSA-N 361.397 3.402 0 1 FGAF O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305744 CEYUSBXGBCJWFZ-DLBZAZTESA-N 364.449 3.113 0 1 FGAF CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(S(N)(=O)=O)cc1 1911573162 ZHLIQEMYLLHZKS-CZIZESTLSA-N 373.503 3.425 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 58569148 MBVCPTLFUYAOKI-QGZVFWFLSA-N 359.422 3.142 0 1 FGAF O=C(Nc1ccccc1CN1C(=O)c2ccccc2C1=O)c1ccccn1 28948833 XGOOSXFYCRTVGG-UHFFFAOYSA-N 357.369 3.130 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 112984288 GFUASHMLKMINGK-KZVLABISSA-N 374.433 3.170 0 1 FGAF C[C@@H]1CC=C(c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)CC1 27895151 UFEQOBUNUJJAPT-SECBINFHSA-N 352.221 3.431 0 1 FGAF Cn1nc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c2cccnc21 116989814 CHSNTVSQTLMNEZ-UHFFFAOYSA-N 370.416 3.060 0 1 FGAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCCc2ccncc2)[nH]n1 61925856 AQQUREYEXFLYOP-UHFFFAOYSA-N 370.840 3.496 0 3 FGAF O=C(NCc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523706 RUUQSUJGLZQRAV-WOJBJXKFSA-N 351.450 3.013 0 1 FGAF CC(C)(OC(=O)c1ccccc1)[C@@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 14689176 KXVWBXSKPCDING-HNNXBMFYSA-N 366.369 3.438 0 1 FGAF biogenic CCCCC[C@H]1C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O1 14828190 PENUWXDRGVMHGY-FZDBZEDMSA-N 372.502 3.266 0 1 FGAF biogenic NCCCC(=O)N(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 49069262 CQYBSHWVZIXIKN-GOSISDBHSA-N 363.465 3.103 0 1 FGAF C[C@@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 49938533 SSEQCILHYYXXBA-WYRIXSBYSA-N 369.852 3.348 0 1 FGAF Cc1ccc(-n2nc(C3CC3)cc2NC(=O)c2cnn3cccnc23)cc1 145867364 PPOCZDIVNJUVHJ-UHFFFAOYSA-N 358.405 3.353 0 1 FGAF CNC(=O)CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144784133 LGQBQVPPSJXEMQ-SFHVURJKSA-N 365.351 3.370 0 1 FGAF CSc1nc(N)c2c(n1)N=C1COC(O)=C1[C@@H]2c1cccc(Cl)c1 299850710 IUWUHLNJRHBXHG-JTQLQIEISA-N 360.826 3.452 0 1 FGAF COc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 587124108 LOPPGNRXTYUACW-XVKPBYJWSA-N 352.320 3.138 0 1 FGAF COc1ccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(O)c2)cc1OC 587926625 KHGKPRKLPRXAGS-UHFFFAOYSA-N 364.361 3.115 0 1 FGAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1SC 963507097 HTVDWDBFWYKCKU-KBXCAEBGSA-N 359.447 3.119 0 1 FGAF CC(C)(CN1CCCC1)[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962765818 NOFQDCRPXSZQFC-CVEARBPZSA-N 354.416 3.495 0 1 FGAF Cc1ccoc1C(=O)N1CCCn2nc(CNc3ccccc3)cc2C1 1772617579 BSGMAWKQPSOBMH-UHFFFAOYSA-N 350.422 3.443 0 1 FGAF Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2csnn2)c1 14963736 FCSVBXFUWJCBGV-OAHLLOKOSA-N 353.451 3.148 0 3 FGAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2cc(F)cc(F)c2)nn1 203462636 FSUSZZCBUHMTRI-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF NC1=C(c2nn[nH]n2)[C@@H](c2ccccc2F)c2c(ccc3ccccc23)O1 1857596873 GZVGHHFBNQTBFP-KRWDZBQOSA-N 359.364 3.344 0 1 FGAF CC(C)c1cc(=NCC2CC2)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857752475 ILMKSEBSRHSGBV-UHFFFAOYSA-N 368.525 3.398 0 1 FGAF CC=CC(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356359511 MHLKYRDXNNGAMX-MOPGFXCFSA-N 372.373 3.056 0 1 FGAF COc1ccc(-c2ccc3nsc(N4CCOCC4)c3n2)cc1OC 1911571684 OEXSHZKDTHGVQA-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(CC2CCCC2)n1 101550374 WYGCEDXALOACTP-ACGSPADSSA-N 369.509 3.187 0 1 FGAF CN1CC[C@@]2(CCCCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 58534230 TWEQQEGZOGODAN-IAGOWNOFSA-N 363.255 3.062 0 1 FGAF Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F 113393563 LIVYVCAUBHXIMI-UHFFFAOYSA-N 355.304 3.027 0 1 FGAF Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1 118210224 HYSRECJXJBJHOZ-UHFFFAOYSA-N 363.465 3.085 0 1 FGAF CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1cc(F)ccc1F 74373519 XGRQHBWFDXDTNO-GOSISDBHSA-N 363.339 3.473 0 3 FGAF Cc1cc(N(C)[C@@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)no1 118880228 DMDJSLNSFTUOMF-CYBMUJFWSA-N 357.385 3.155 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)cc1O 2356466693 PQFNGONRIQPGDV-BBNYVJOESA-N 358.390 3.190 0 1 FGAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1OC 27633296 UJFPDUOPCTWUIF-UHFFFAOYSA-N 359.378 3.141 0 1 FGAF COc1ccccc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356600155 BVFHDEGDVLHBDT-KXBFYZLASA-N 355.413 3.311 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C2=C(C[C@@H]3CCC[C@H](C(=O)O)[C@]31C)OC(=O)[C@@H]2C 2356753856 LTLYQGXUQKXVEU-LKXSMSIQSA-N 362.422 3.222 0 1 FGAF CC1=CC[C@@H](O)C(C)(C)[C@H]1CC=C(CC(=O)c1cc(O)ccc1O)C(=O)O 2356841704 MGRJEAWMLFNPRE-QFBILLFUSA-N 374.433 3.425 0 1 FGAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCC2CC2)O3)cc1 61903403 SJPVSCLEICHXFF-OAQYLSRUSA-N 351.450 3.034 0 3 FGAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1cccc(F)c1 71318039 PUTNPBSBJMBORF-NVNXTCNLSA-N 372.377 3.167 0 1 FGAF COc1cc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc(O)c1OC 14641572 KBHNNERSMMYNCG-ZDUSSCGKSA-N 360.362 3.144 0 1 FGAF biogenic CNc1nccc(-c2ccc(C(=O)NCCc3ccc(OC)cc3)s2)n1 40567386 ZZYCUCRSTVKYIG-UHFFFAOYSA-N 368.462 3.228 0 1 FGAF Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)O)cc4c3)n2)c1 221526564 DJSFOQSWZKQSAD-UHFFFAOYSA-N 368.784 3.454 0 1 FGAF CCOc1ccc2c(c1)NC1=C(C(=O)OC1)[C@@H]2c1cc(OC)cc(OC)c1 40413056 YZWUXEFGACEIEV-LJQANCHMSA-N 367.401 3.471 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2O[C@H]([C@@H]3O[C@@H]23)[C@@H]1C/C=C\CCCC(=O)O 195049954 UHWPQNIXJFNMHO-BISUMAFYSA-N 364.482 3.466 0 1 FGAF C[C@]1(F)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2 96283376 QHCUVUNJGMKZDL-IBGZPJMESA-N 357.312 3.310 0 1 FGAF CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 95595498 IZEXJMUYOSKSDZ-UHFFFAOYSA-N 363.457 3.497 0 1 FGAF C[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@]4(CO4)[C@@H](/C=C/C4=CCOC4=O)[C@]3(C)CC[C@H]2O1 653811101 JWFMNPXHHKPSHL-PCKCKTNOSA-N 374.477 3.389 0 1 FGAF O=C(O)C[C@H]1COc2cc(OCc3cccc(N4CCOCC4)c3)ccc21 653723580 WGTDNIATQPANLR-INIZCTEOSA-N 369.417 3.053 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434527 ABGQFNSSYSSZLE-XQAUZQBESA-N 373.449 3.458 0 1 FGAF CC1=C(c2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)NNC(=O)C1 587088342 LKTKUURVGGLNGD-LBPRGKRZSA-N 373.407 3.068 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cnn(C(C)(C)C)c1)CC2=O 587474173 CICUEYGOCACFRL-HXUWFJFHSA-N 372.421 3.242 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccccc12 587797346 WJTGQDRLWORQBQ-XYZCENFISA-N 361.214 3.318 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCC3)nc1)CC2=O 587474350 GYFLVADPVCZDJN-SFHVURJKSA-N 353.422 3.441 0 1 FGAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(O)nc(S)nc2[nH]1 587011866 ODWRRVGAFSUORW-UHFFFAOYSA-N 355.448 3.370 0 1 FGAF O=S(=O)(CCc1nc2c(Cl)ccnc2[nH]1)c1ccc2c(c1)CCC2 586921006 UZOXBNXQNBUWEE-UHFFFAOYSA-N 361.854 3.116 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(F)c1)O2 587386155 SNBICHMEWVRMOK-IBGZPJMESA-N 356.397 3.259 0 1 FGAF COC(=O)Nc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 587243310 JFIJVUAFXYWPEV-UHFFFAOYSA-N 355.350 3.203 0 1 FGAF COc1ccc(C(=O)N(OCc2cccc(Cl)c2)[C@H](C)C(=O)O)cc1 1772623534 FKIZFOXAOIYHQH-GFCCVEGCSA-N 363.797 3.396 0 1 FGAF O=S(=O)(CCc1ccccc1Cl)n1c(O)nc2ccc(Cl)cc21 1772618047 YGXHCTAWDGQWCM-UHFFFAOYSA-N 371.245 3.469 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@H]1CN1Cc1ccnc2ccccc12 169328788 CGPWNJUUKBGYCH-POIHQHRPSA-N 362.355 3.250 0 1 FGAF O=C(O)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 169350876 BEVSHJAHVBSZBK-RBUKOAKNSA-N 370.424 3.355 0 1 FGAF CN(CCN=c1ccc2ccccc2[nH]1)CCN=c1ccc2ccccc2[nH]1 1857655259 VXLCBYVKKALRPG-UHFFFAOYSA-N 371.488 3.083 0 1 FGAF CS(=O)(=O)c1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)n[nH]1 1857750814 PXVRSCMDFBCDLG-UHFFFAOYSA-N 357.313 3.154 0 1 FGAF CCOC(=O)c1nn(C)c2c1[C@H](C)Cc1cnc(Nc3ccccc3)nc1-2 1857773719 BSIPNJIOPDWDSK-GFCCVEGCSA-N 363.421 3.457 0 1 FGAF OCCN(CCO)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 26013173 MZPNJYXTDVQJDZ-UHFFFAOYSA-N 354.277 3.412 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]12 2356335681 CXVQWAXJRDNQFX-WXUWDHSQSA-N 362.466 3.210 0 1 FGAF CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O 2356343573 SGMQQYJUDLVNTG-ADWYPQAOSA-N 361.394 3.249 0 1 FGAF CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356304699 AZOYDRNSZTYOAJ-LSDHHAIUSA-N 372.469 3.020 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 58569243 GWSLDANNQAFCHU-QGZVFWFLSA-N 359.422 3.142 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28525900 LBHLXRSCRQWUHK-VWNVYAMZSA-N 366.461 3.332 0 1 FGAF Cn1nc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27320503 BUULKNLMQVBJQQ-UHFFFAOYSA-N 359.216 3.229 0 1 FGAF COCCCNC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1 118717821 YPJLVBKYGVOCCZ-UHFFFAOYSA-N 354.435 3.033 0 1 FGAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1 61925891 UGPJCVVQPNYZAC-HNNXBMFYSA-N 361.373 3.037 0 3 FGAF c1ccc2c(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]c2c1 28529668 UIHIQWWXLGHZAK-UHFFFAOYSA-N 350.422 3.368 0 1 FGAF CC(=O)NCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26188575 OKLPQZPYKXEFER-PZJWPPBQSA-N 371.431 3.411 0 1 FGAF CC1(C)CCc2c(O)c(C(=O)CC(=O)c3ccccc3)c(O)c(C=O)c2O1 66098811 RLEDGWYUBXDJHB-UHFFFAOYSA-N 368.385 3.470 0 1 FGAF C[C@H]1CCCCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 35930585 QRCDVMTVNXZJMW-SMDDNHRTSA-N 351.390 3.020 0 1 FGAF CCOC(=O)Cc1c(Cl)cnn(Cc2cccc3ccccc23)c1=O 73241753 YUFAXTIHEGLBGE-UHFFFAOYSA-N 356.809 3.204 0 1 FGAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)cc1O 71316339 ACDJNBCQONNVNU-AZZDOICSSA-N 360.406 3.348 0 1 FGAF CC1(C)C[C@]2(CN(C(=O)c3ccccc3)C(=O)CO2)c2ccccc2O1 45315767 SCWGSTIHXPXOCH-NRFANRHFSA-N 351.402 3.142 0 1 FGAF CC(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1 224582300 WVSXMYRYWRSWIW-UHFFFAOYSA-N 354.389 3.228 0 1 FGAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 195392729 CVWPPMKSHIKWNI-DSKINZAPSA-N 373.412 3.395 0 1 FGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 88260830 LAJRMLHKDHAMOJ-SFTDATJTSA-N 372.534 3.116 0 1 FGAF C[C@@H]1CN(c2cccc(F)n2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 96272412 OBXPZZXABSFCRD-LFPRZYRFSA-N 357.473 3.474 0 1 FGAF O=S1(=O)N=C(NC2CCCC2)Sc2ccc(C(F)(F)F)cc21 95583186 YTSCRIYMJLMFNB-UHFFFAOYSA-N 350.387 3.388 0 1 FGAF COc1cccc([C@H](CCO)NC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95586574 QAGMCUQKCSBMNN-IBGZPJMESA-N 366.421 3.331 0 1 FGAF CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](C2CC2)[C@@H]1CCCO 95783971 JYEHPYADUQQBKE-WFXMLNOXSA-N 365.514 3.471 0 1 FGAF C[C@@H]1OC(=O)[C@]23CC[C@@H]4[C@@H](CC=C5C[C@@H](N(C)C)[C@H](O)C[C@]54C)[C@@H]2CC[C@H]13 255260837 QHMLSDSMAKJEBA-TYIKZSMTSA-N 373.537 3.392 0 1 FGAF Cc1ccccc1-c1cc2cnc(NN3C[C@H]4CC=C[C@H]4C3)nc2n(C)c1=O 299870208 PTXLQZFTKJZNMK-JKSUJKDBSA-N 373.460 3.139 0 1 FGAF in-vivo CO[C@]12C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]1CC[C@@]1(C(C)C)O[C@H]12 653850849 XRQFDDVJEQETKV-SFETZWJXSA-N 364.482 3.445 0 1 FGAF COc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148646 JIFVXXQSYZHBKU-LBPRGKRZSA-N 357.360 3.366 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1ncccc1-c1nc(C2CC2)no1 587652755 IIDCBWFXCVALTR-UHFFFAOYSA-N 365.780 3.362 0 1 FGAF NS(=O)(=O)c1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961505 KYQTVGKLGZCGSO-UHFFFAOYSA-N 363.442 3.468 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]nc2ncccc12 587596756 RSTXUBVBHVISQT-BEFAXECRSA-N 359.341 3.366 0 1 FGAF COc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2n1 587060960 RBRALULCTKBBJY-UHFFFAOYSA-N 352.785 3.156 0 1 FGAF N=c1nc(O)c2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2[nH]1 587163873 MIBUMXGZKQSBGN-DHZHZOJOSA-N 353.382 3.261 0 1 FGAF CCOc1cc(C=O)c(OCC)n1-c1c(N)cccc1Br 587935809 FQXZVRCKVNJHKK-UHFFFAOYSA-N 353.216 3.432 0 1 FGAF N[C@@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]1c1ccccc1F 587155646 JLWUSBPMQAFMMB-UOWDBTKRSA-N 371.725 3.457 0 1 FGAF COC(=O)c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cn1 587120907 ZKMLTLZAWARUPN-UHFFFAOYSA-N 361.283 3.307 0 1 FGAF Cc1ccc(C)c2[nH]c(-c3nccnc3I)nc12 587186888 YGYBQKNHJLUAQZ-UHFFFAOYSA-N 350.163 3.241 0 1 FGAF Cc1ccnc2c1CCN[C@]21c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1 963067747 AIYPQAZKFUIBRO-REWPJTCUSA-N 374.440 3.367 0 1 FGAF CC(C)NC(=O)c1ccc([C@@H]2CCCN2Cc2cnn3cccnc23)s1 19218513 GBSRTZBVBHQTLX-HNNXBMFYSA-N 369.494 3.266 0 1 FGAF CCCCC/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)CCCC(=O)O 169622165 RIBVJRIPUIBKFY-RWRNJALOSA-N 352.471 3.251 0 1 FGAF Cc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 167255237 RENDBSLEAOPBLO-IRXDYDNUSA-N 358.445 3.147 0 1 FGAF CN(C(N)=O)[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 1857747365 QJCDGEKIAAOBTM-QGZVFWFLSA-N 362.426 3.046 0 1 FGAF CCCCN1CCC(CNC(=O)c2cc(OC)c3ccccc3n2)CC1 1857773325 SEPQKKSDPVZITO-UHFFFAOYSA-N 355.482 3.485 0 1 FGAF CNC1=Nc2cc(-c3cccc(CCC(=O)O)c3)sc2N2C(C)=CN[C@H]12 101442092 KDLOHLHNQUFWGR-SFHVURJKSA-N 368.462 3.292 0 1 FGAF Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)Nc5cccc(F)c5)(C4)C2)C3)n1 101686709 MBTDZIFTBPGHFA-XSYNCLLFSA-N 369.444 3.445 0 3 FGAF COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@H](NC(C)=O)C2)c1 118815349 FUMJKSZLZJFCAQ-ZBFHGGJFSA-N 371.412 3.140 0 1 FGAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC(=O)C(C)(C)O 2356623317 UZIQEOXRQZDFQI-UHFFFAOYSA-N 354.830 3.481 0 1 FGAF C[C@@H]1[C@H](O[C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)OC(=O)[C@H]2[C@H](C)CC[C@@H]21 2356698697 KLFPATKRXRCHCY-KTXIGVFQSA-N 350.455 3.366 0 1 FGAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2ccccn2)[nH]n1 61905128 MBUSTIDETGKPQU-UHFFFAOYSA-N 354.385 3.328 0 3 FGAF COC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)O)c1 35930716 JZPXXVDHWDDNJV-UHFFFAOYSA-N 356.403 3.200 0 1 FGAF COc1ccc2cc3[n+](cc2c1OC(C)=O)CCc1cc2c(cc1-3)OCO2 84632882 ODQUVOBUUYKARG-UHFFFAOYSA-N 364.377 3.013 0 1 FGAF COC(=O)c1ccc(CSc2nc3ccccc3n2CC(=O)O)cc1 84655474 RISALFABCLJCIP-UHFFFAOYSA-N 356.403 3.200 0 1 FGAF O=C(N1C[C@@H]2CN(c3ccc(F)cn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283278 CTIALYPMFHVRTI-GLPCNKFJSA-N 369.484 3.332 0 1 FGAF CN1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95877046 DFXXWLCMZUFDSQ-BDTNDASRSA-N 354.469 3.347 0 1 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2cc[nH]c2c1 299826057 YKVDAHUQTFDFSH-UHFFFAOYSA-N 358.357 3.263 0 1 FGAF COc1ccc(-c2cc(=O)c3cc(OC)c(O)c(OC)c3o2)cc1OC 96910395 ORHYNAPTVRQMKM-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587171290 LABRHRURLKTWDZ-SNVBAGLBSA-N 365.455 3.245 0 1 FGAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H](C)O)[nH]c4c3)o2)cc1 586888923 DLIDECFKYNZAQF-LLVKDONJSA-N 350.378 3.212 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2ccc(Cl)cc2[nH]1 587566615 VZSFAZYLRSKYLP-UHFFFAOYSA-N 354.834 3.135 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccnn2c1 587590396 ZVTXDSOTOAKINQ-PXNSSMCTSA-N 359.341 3.138 0 1 FGAF CC1=C(c2ccc3nc(-c4cc(S)ccc4F)[nH]c3c2)NNC(=O)C1 587142581 GFBJJRGAVYCETF-UHFFFAOYSA-N 354.410 3.413 0 1 FGAF O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)c1ccccc1 587556239 WLYIBWYKFLIMFQ-UHFFFAOYSA-N 358.357 3.355 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2nc(Cl)c[nH]c-2n1 587065480 RKXHBDIIWXUZGY-UHFFFAOYSA-N 353.165 3.011 0 1 FGAF COC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 586979136 HVBLUBQKKFJBEO-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425648 GBGSYKRMYPJMRR-XOBRGWDASA-N 374.339 3.481 0 1 FGAF COc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587772751 GUEICEYKBHCPIM-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccco3)c2c1 587650651 AYSIAYVUNGCPLW-UHFFFAOYSA-N 366.398 3.457 0 1 FGAF CCOc1ccc(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652144 LKODSMNGEJICER-UHFFFAOYSA-N 357.797 3.201 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1N)CC2=O 587473433 UUALDOXXZZGAEX-SFHVURJKSA-N 355.390 3.420 0 1 FGAF COc1ccc2[nH]c3c(c2c1)CC[C@]31NC[C@H]2CC(=O)N(C)c3cccc1c32 963028300 OZGLOFXJEGIUKI-JCQPUDPBSA-N 373.456 3.420 0 1 FGAF COC(=O)c1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)on1 963005045 FYEURJFJBYVWMZ-QGZVFWFLSA-N 355.419 3.065 0 1 FGAF COc1cccc2cc3c(nc12)C1(CCN(CC(F)(F)F)CC1)NCC3 963059097 SFXSIZDXQHWFIQ-UHFFFAOYSA-N 365.399 3.243 0 1 FGAF CCN(CC)CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132691 WBWLSSSPKQWRNT-UHFFFAOYSA-N 369.490 3.475 0 3 FGAF O=C(O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C1CCCC1 12478467 HWTGGZBSAXNXBN-LBPRGKRZSA-N 363.357 3.168 0 3 FGAF COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(CO)=C2 13553833 SPFZJDHKVIXCHT-IBGZPJMESA-N 358.390 3.230 0 1 FGAF CC[n+]1cc(C)cn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651184 IMQZOGAWEKOKKA-NRFANRHFSA-N 361.465 3.406 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Cc1ccc(F)cc1F)C(=O)CC2 13744826 UBHILSKDYRUXLP-UHFFFAOYSA-N 351.374 3.056 0 1 FGAF COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)CC1 169303956 GRLXORJUIODJLW-UHFFFAOYSA-N 351.878 3.413 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4050125 PYHHITMSNPSEHN-NTDBWNAOSA-N 370.474 3.260 0 1 FGAF COc1cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1O 64516367 WUKXEZDYZZLYAG-HNNXBMFYSA-N 359.378 3.292 0 1 FGAF COc1ccc(S(=O)(=O)n2cc([C@H]3CCCNC3)c3ccccc32)cc1 28525727 XTMPQHUYTBBBBH-HNNXBMFYSA-N 370.474 3.354 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 29233325 XNCWDLBBWYSKHK-BGHAAAKCSA-N 367.489 3.206 0 1 FGAF CC[C@@H]1CN(C)C[C@@H]2[C@H](C(=O)OC)c3c([nH]c4ccccc34)C(=O)C[C@H]12 2356681990 CGNGBKBFEZALRJ-IBWPGLOJSA-N 354.450 3.215 0 1 FGAF CN1CCCC[C@@H]1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 36289033 LBJMHPIVBXUBLY-CQSZACIVSA-N 350.422 3.186 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)co2)cc1 82068973 AUYNZKXHDPPZRM-MRXNPFEDSA-N 350.374 3.076 0 1 FGAF CN1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95877044 DFXXWLCMZUFDSQ-YPAWHYETSA-N 354.469 3.347 0 1 FGAF CS(=O)(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96282851 MDRFJXAFTSTIBC-UHFFFAOYSA-N 360.222 3.012 0 1 FGAF CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(F)cc1 95603264 HRFNWTAVADQTFE-UHFFFAOYSA-N 370.384 3.087 0 1 FGAF CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1 95561537 IZTUOVOTDRDXOG-MRXNPFEDSA-N 368.485 3.245 0 1 FGAF CS(=O)(=O)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1 141673296 ALQAFKSRAQPQEL-UHFFFAOYSA-N 373.459 3.056 0 1 FGAF CNC(=O)c1[nH]nc2c1C[C@@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 299810452 XYYQUSQQASXEKW-SZUSHISOSA-N 351.450 3.045 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc(Cl)cc2[nH]1 587039932 XRKNGJGCNDRANW-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF COc1cc2c3c(c1)O[C@H](C1CCN(Cc4cccnc4)CC1)[C@@H](C2)C3=O 587444884 RUAQMYMHEHHMFG-PGRDOPGGSA-N 364.445 3.118 0 1 FGAF Nc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1N 587044047 XYFPTXQTNSGARR-CQSZACIVSA-N 359.842 3.036 0 1 FGAF COC(=O)Nc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cn1 587245515 UZTYYHDPIJYCQQ-UHFFFAOYSA-N 372.694 3.217 0 1 FGAF CCS(=O)(=O)NCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 586943580 FNSODAHXKSTPFS-UHFFFAOYSA-N 373.478 3.014 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1N1CCOCC1)O2 587379895 MFVIAUJUPOOWBD-MRXNPFEDSA-N 373.840 3.169 0 1 FGAF COC(=O)[C@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587398736 HILVJTWUKDWKPM-QKKBWIMNSA-N 351.402 3.488 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006924 DWERKTIVBADVGG-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF Cn1cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cccnc21 962707057 HKTWJJZBOHWFGJ-JKSUJKDBSA-N 359.351 3.308 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]c4c(C(=O)O)cccc34)c3cccc1c32 963034247 QYZRFFHYRLAKJX-YBTHPKLGSA-N 361.401 3.009 0 1 FGAF Cc1cccc2sc3nc(/C=C4/C(=O)N5C(C(=O)O)=CS[C@H]45)cn3c12 13586483 OXWWPWZFBQZZPH-WSVPDTOYSA-N 369.427 3.082 0 1 FGAF CCOC(=O)c1cc2cc(N3CCN(C(=O)CC(C)C)CC3)ccc2o1 299830011 NLIHJTXJPKRUIC-UHFFFAOYSA-N 358.438 3.304 0 1 FGAF CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@]432 103525014 QWSTXDYLWYYYTH-GBSCFTLHSA-N 355.482 3.348 0 1 FGAF biogenic,in-vitro CC(=O)Nc1cccc2c1C[C@@H](O)[C@@H](N1CCC(c3ccccc3)CC1)C2 28234907 WUPCAAVZWULBKD-XZOQPEGZSA-N 364.489 3.353 0 1 FGAF CC[C@@H](C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 66167323 AJXYJYOVDYRVNK-KGLIPLIRSA-N 356.869 3.485 0 1 FGAF CSc1ccc2c(c1)c(O)c(C(=O)N(C)C1CCCCC1)c(=O)n2C 101359086 OQDSENRVJZZHQC-UHFFFAOYSA-N 360.479 3.371 0 1 FGAF CNc1nc(C)c2cc(-c3cccnc3OC)c(=O)n(C3CCCC3)c2n1 117782479 QHUHUICBGUOWFW-UHFFFAOYSA-N 365.437 3.327 0 1 FGAF O=C(NC[C@H]1CCN2CCCC[C@@H]2C1)c1c2n(c3ccccc13)CCCO2 27088843 NXGXTRKGFHRWQX-DLBZAZTESA-N 367.493 3.418 0 1 FGAF CCN(CC)CCCOc1cc2c(cn1)[C@H](c1ccc(OC)cc1)CNC2 28883552 SPBSCPKJFSEOAQ-FQEVSTJZSA-N 369.509 3.436 0 1 FGAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](OC2)N(C)CC4)OCO3 2356864848 WALIKTBPUUSCPN-HXUWFJFHSA-N 355.390 3.116 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 38930019 GRTOGORTSDXSFK-GABDYKALSA-N 352.434 3.179 0 1 FGAF O=C(OCC1=CCN2CC[C@H](OC(=O)c3ccccc3)[C@H]12)c1ccccc1 14724086 IGBMRHIQTHTGIJ-PMACEKPBSA-N 363.413 3.083 0 1 FGAF biogenic CCOc1cccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)c1 49088262 REUFUQDFEOINRQ-UHFFFAOYSA-N 355.394 3.359 0 1 FGAF COCc1[nH]nc2c1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O 199731146 IPNWMUABFITINB-IBGZPJMESA-N 351.381 3.441 0 3 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@H](CC[C@@]52CO)[C@H]63)CC[C@@H]41 238754958 CXTKTMRFOAAVPA-QYNCEGEOSA-N 371.521 3.005 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(C)OC(c3ccccc3)=CC(=O)N1CC2 96935338 YKFHSZYUUXCZCQ-OAQYLSRUSA-N 351.402 3.333 0 1 FGAF C[C@@H]1C(=O)O[C@H]2C[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 255208699 FAFFALJLKNGYLA-YFLUNGTDSA-N 362.510 3.148 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)NCCF)[C@H](c1ccc(Br)cc1)C2 253975498 OGMONSYQNAKIFE-VGWMRTNUSA-N 369.278 3.101 0 1 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccncc4)CC3)CC2)nc1 253712098 SBJAROVNDHTDKY-WGSAOQKQSA-N 366.513 3.055 0 1 FGAF COC(=O)c1cccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587436748 AMIJUXBJZUGTRY-VLIAUNLRSA-N 363.369 3.452 0 1 FGAF COc1cccc(OCc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)c1 587781281 HYDWPQACVRMFCP-UHFFFAOYSA-N 364.361 3.019 0 1 FGAF CCO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391552 VENMMLGOXLRWSS-LHSJRXKWSA-N 354.450 3.494 0 1 FGAF Cc1cc(Br)c2[nH]c(CNC(=O)c3cscn3)nc2c1 587028786 XBYSSAPNSWQETK-UHFFFAOYSA-N 351.229 3.020 0 1 FGAF C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1C(F)(F)F 587099085 XCLYTBVRWQCWTD-SECBINFHSA-N 369.368 3.381 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1N1CCSCC1)[C@@H](C2)C3=O 587451819 KYIGPQOSEUICRN-VPWXQRGCSA-N 359.491 3.173 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586878777 HGBOXKFULBIVGI-YFHOEESVSA-N 356.403 3.225 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cn2)N1 587735769 VABIYUTVPCVQPG-VXJOIVPMSA-N 354.198 3.315 0 1 FGAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 587764800 RAXOURAEQDHEPH-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(OC)cccc21 587479482 CITNZWBFGNJSCB-FQEVSTJZSA-N 353.374 3.166 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCN(C)C)cc1)[C@@H](C2)C3=O 587430473 UEDCPIMNHDUOGP-PGRDOPGGSA-N 367.445 3.298 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccco1)([C@@H](O)c1ccco1)[C@@H](C2)C3=O 587455751 QDQAEWXAGOICBZ-QTJFZDIUSA-N 352.342 3.258 0 1 FGAF COC[C@H](C)[C@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181322 MWYHGIUHQQRTDN-IIRLODAESA-N 365.779 3.455 0 1 FGAF Cn1nnc(Br)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962659948 BNXJTWIIHSEKDU-MRXNPFEDSA-N 369.266 3.480 0 1 FGAF Cc1c(-c2ccc(N3CC(C)(O)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772601293 GNHFZUHXRUHJLD-UHFFFAOYSA-N 356.372 3.353 0 1 FGAF c1ccc(CCN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772632616 RAYNZHXRGJCCNG-QAQDUYKDSA-N 360.465 3.464 0 1 FGAF Cc1ccc(CN2CCN(c3nncc(-c4ccccc4C)n3)CC2=O)cc1 12030709 NGAQYCJEDPJDSM-UHFFFAOYSA-N 373.460 3.004 0 1 FGAF CN(C)c1ccccc1C[S@](=O)c1nc2c(n1-c1ccccn1)CCC2 13746059 JJZPVGHKJMJYRQ-AREMUKBSSA-N 366.490 3.130 0 1 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O 1487091 PEXQXFKPBORMLV-UHFFFAOYSA-N 354.450 3.137 0 1 FGAF CCCCN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(Cl)cc1 6803597 XYFVLRWGIMTWFQ-UONOGXRCSA-N 358.916 3.215 0 1 FGAF C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 8330398 WHJGLMYHPOKGBE-JZIXJXCISA-N 371.477 3.081 0 1 FGAF COc1ccc2c(c1)CN1CCc3c(cc(OC)c(OC)c3OC)[C@H]1C2 26391215 WDKVEUAJLWWOEF-GOSISDBHSA-N 355.434 3.377 0 1 FGAF O=C(O)CCCCCC[C@H]1SCC(=O)N1CCC1(O)CCCCC1 27093340 PWBLNYCBNMHWIC-MRXNPFEDSA-N 357.516 3.398 0 1 FGAF CCN(CC)CCCCN1C(=O)C[C@]2(CCCc3ccc(OC)cc32)C1=O 27563447 IPIQKBIKYLVUPY-QFIPXVFZSA-N 372.509 3.150 0 1 FGAF Cn1c(N)nc2c(-c3cc(Br)c(Br)[nH]3)nccc21 28705359 QVRJRYHVBGRHKO-UHFFFAOYSA-N 371.036 3.071 0 1 FGAF COC(=O)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28397392 NKMZKWSBTUSPRU-UHFFFAOYSA-N 357.373 3.178 0 1 FGAF COC(=O)C1=CCCC2=C[C@@H](CC(C)=CC=C(C(C)C)C[C@H]1O)OC2=O 2356471765 YQXSXPBPDWRFHK-IEBWSBKVSA-N 360.450 3.401 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@@H](CCCCCCC[C@@H](O)CC(=O)O)CCN21 2356546151 BNVBPCHYPWGIAO-RHQZKXFESA-N 355.519 3.177 0 1 FGAF CC1(C)[C@H]2CC[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=CC[C@H]1O 2356867097 VRNLFGHQVVPEKR-RRMPHLOHSA-N 374.433 3.259 0 1 FGAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1cccs1 61930599 CFWJHMOXKWJHLZ-SFHVURJKSA-N 362.882 3.251 0 3 FGAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(OC)c3OC)C[C@@H]21 14765539 CKDHRRPIIGEUGN-INIZCTEOSA-N 371.433 3.082 0 1 FGAF biogenic N[C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1cccc(Cl)c1 49037370 BGYDDVRMCVTECM-HNNXBMFYSA-N 362.216 3.473 0 1 FGAF N=c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2c[nH]1 587184008 NIYWMZBSVLIICW-PLNGDYQASA-N 362.174 3.145 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc(Br)cc1)O2 587374605 ZJXMXZWOTXJBBO-KRWDZBQOSA-N 362.223 3.193 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2nc(Cl)c[nH]c-2n1)C(F)(F)F 587091549 FVWPTTYIVXVQKO-AWEZNQCLSA-N 371.750 3.121 0 1 FGAF Clc1cc(I)cc(-c2nc3cncnc3[nH]2)c1 587183555 DUJAHLNSPDLUII-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF CC(=O)OC12CC3C[C@@H](C1)C1(CC(=O)c4cc(C)cc(N)c4O1)[C@@H](C3)C2 587402752 HJQMBDGXQCEXNR-ZYSLRRHTSA-N 355.434 3.423 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCC(=O)O)cc1)[C@@H](C2)C3=O 587439393 AHLCEQTVDZHKBI-KKSFZXQISA-N 368.385 3.428 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnc(Cl)[nH]c-3n2)cs1 587019108 GKATUOBNIUIQRH-UHFFFAOYSA-N 366.834 3.352 0 1 FGAF CN(Cc1nc2ccc(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929010 OULSQRGKEZQQDI-UHFFFAOYSA-N 371.796 3.315 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O 587421621 QJHVAIAPXDTVRF-XXFAHNHDSA-N 351.189 3.455 0 1 FGAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430646 KKYAHNMTVXAXBJ-GEDNVKPRSA-N 355.390 3.110 0 1 FGAF Fc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1F 587009216 XOGHJIQCOULBFF-UHFFFAOYSA-N 350.126 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@H](CCc1cccc(C4OCCO4)c1)[C@@H](C2)C3=O 587456182 SHVNCDNTJTVANE-QZTJIDSGSA-N 366.413 3.489 0 1 FGAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1CO 962618790 DVDVPZCJSACBFO-ZSEKCTLFSA-N 357.450 3.171 0 1 FGAF CC1=C2CCC(=O)[C@@]2(C)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962937285 QMNMQNALEOHHSJ-VXKWHMMOSA-N 352.478 3.209 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3c(Cl)[nH]c(C=O)c3Cl)c3cccc1c32 963036730 VBMQEZILTNGKDC-VPTHRUTESA-N 364.232 3.277 0 1 FGAF COc1cc(C2=C[C@@H](c3ccc(F)cc3)NC(=S)N2)cc(OC)c1OC 1772643270 LBZXPYQDTBQMMG-AWEZNQCLSA-N 374.437 3.411 0 1 FGAF CC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)oc2ccccc2c1=O 5601959 UIZOBOVKLPYIEE-AWEZNQCLSA-N 352.342 3.338 0 1 FGAF COc1cc(Cl)c(C)cc1NCc1cnc2nc(N)nc(N)c2c1C 5891984 SLXUBQLLIYKHFM-UHFFFAOYSA-N 358.833 3.080 0 1 FGAF Cc1ncoc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12703947 JGPAJNZGUJDMQP-OAHLLOKOSA-N 373.428 3.071 0 3 FGAF CCCCO[C@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559509 DVJNDDVJESLJKZ-IBGZPJMESA-N 357.458 3.207 0 1 FGAF NCCCC(=O)Nc1ccccc1S[C@H](CC(=O)O)c1cccnc1 13589275 SQUOMDLHEMSNQW-MRXNPFEDSA-N 359.451 3.067 0 1 FGAF CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCO3)CC1 13744383 GZKWETFMSULRBT-UHFFFAOYSA-N 355.482 3.276 0 1 FGAF COc1ccc(CCNCCC[C@@H]2CNc3ccccc3O2)cc1OC 13780754 SVIBWPSEDUZBLE-QGZVFWFLSA-N 356.466 3.489 0 1 FGAF O=C(Nc1cccc(C(F)(F)F)n1)c1cc(Oc2cncnc2)ccn1 167364441 AREFTTIREGBURD-UHFFFAOYSA-N 361.283 3.330 0 1 FGAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N(C)CCc1ccccn1 2356336203 IDHLXZOBRCKHMG-CYBMUJFWSA-N 369.396 3.244 0 1 FGAF COc1ccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c(OC)c1 3906677 NPORYRHEJWTBGZ-UHFFFAOYSA-N 354.362 3.065 0 1 FGAF CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1 3976202 LIOMFJVXCGRTDD-CQSZACIVSA-N 358.438 3.437 0 1 FGAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCO 4212846 BYUGBUMUARIWMO-RTBURBONSA-N 362.470 3.208 0 1 FGAF COc1ccccc1-c1ccc(SCC(=O)Nc2cc(C)on2)nn1 4356191 HHKROKNZHKJONM-UHFFFAOYSA-N 356.407 3.179 0 3 FGAF CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN)cc3C2)c(O)cc1O 58554561 DNIWSQGPKWTEIU-UHFFFAOYSA-N 370.449 3.105 0 1 FGAF C[C@@H]1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1 100468390 PMSPHDGHPUKYPW-YVYFARNLSA-N 356.451 3.096 0 1 FGAF C[C@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@H](O)C(F)(F)F 115763953 CGPSIOMHVIIIGV-PFZYVWIYSA-N 368.233 3.214 0 1 FGAF Cc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66104363 WAECCZAZEUMNGI-HNNXBMFYSA-N 358.401 3.340 0 1 FGAF Cn1c(-c2ccccc2F)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O 64447198 KJQWOWLDTVSADY-UHFFFAOYSA-N 369.783 3.477 0 1 FGAF CCO[C@@H]1c2ccc(OC)c(O)c2[C@@]23CC=C(OC)C[C@H]2[C@H]1N(C)CC3 2356782161 CYZDIDKGWZLCHU-FCXXMXSZSA-N 359.466 3.374 0 1 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)N(C)C(=O)N1 73295358 CHOKMSXEYKIBHJ-SFHVURJKSA-N 358.438 3.486 0 1 FGAF O=C1c2c(nnn2Cc2ccc3ncccc3c2)CCN1c1ccccc1 84758185 ZSFSLLGRLMODAE-UHFFFAOYSA-N 355.401 3.078 0 1 FGAF in-vitro O=C1Nc2ccc(F)cc2[C@]12CC(c1ccc(Br)cc1)=NN2 84633933 MQXIUZLBNOJAGS-MRXNPFEDSA-N 360.186 3.133 0 1 FGAF COc1ccc(-c2c(CO)c(CO)c3n2-c2ccc(OC)cc2C3)cc1 43022237 OKKFIOJHAIELBA-UHFFFAOYSA-N 351.402 3.050 0 1 FGAF CC(C)(C)c1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)n[nH]1 91270518 PZFIJXFMHNFOOH-QFBILLFUSA-N 353.514 3.199 0 1 FGAF Cn1c(=O)c2c(cc(Oc3cccc(-c4ccccc4)c3)n2C)n(C)c1=O 95596637 VTHJZJDQRGPHOW-UHFFFAOYSA-N 361.401 3.035 0 1 FGAF COc1cccc(CN(CCO)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95588458 NGOKTEXAUPRBFP-UHFFFAOYSA-N 366.421 3.112 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587789557 DVEXBAQZHGOAPG-GLEZIHRCSA-N 367.218 3.327 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(Cl)[nH]c-3n2)s1 587023272 MHNGGALVOVTUEU-UHFFFAOYSA-N 352.807 3.428 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1F)O2 587386306 VGLCRBBQSXDNJH-IBGZPJMESA-N 356.397 3.259 0 1 FGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ccncc2[nH]1 586999463 BHZVBCLOMWXYOM-UHFFFAOYSA-N 358.151 3.199 0 1 FGAF COC(=O)/C=C(\C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810623 VEKSVTYWCDWASJ-YCCWXNPTSA-N 356.235 3.457 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232420 WYEZRHLLEIZPOG-UWVGGRQHSA-N 371.268 3.301 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nc2)N1 587773281 QCDMZTCBMGAMIZ-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF Cn1nc(C(F)(F)F)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587116797 DEQMMHVYENIGIT-UHFFFAOYSA-N 364.100 3.279 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCOC3=O)c1)O2 587400623 QVGCKMONIHJEDK-HXUWFJFHSA-N 352.390 3.414 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)([C@H](C)CC(=O)O)O2 587388403 BRWYAZWSFSTNIN-ODXCJYRJSA-N 354.406 3.131 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O 587439682 MIEYDGJCTJPEKI-HFJQGTKSSA-N 363.457 3.424 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cs1 587021268 KJIAIIXHTIBLGM-UHFFFAOYSA-N 372.431 3.013 0 1 FGAF CS(=O)(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530847 HVGSJWCDUCETTL-NRFANRHFSA-N 370.470 3.471 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(O)cc1)(C(=O)O)CC2=O 587477351 FVXFLIZRKQNZEO-HXUWFJFHSA-N 356.374 3.082 0 1 FGAF C[C@@]1(CCn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581492 LMNRRMFZRZTTFB-XLIONFOSSA-N 350.374 3.399 0 1 FGAF CCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772627884 PIXKGBJULNYOEX-UHFFFAOYSA-N 373.501 3.365 0 1 FGAF COc1cccc(C(=O)NC[C@H]2Cc3cccc(-c4cccnc4)c3O2)c1 11974633 HXOZJWLXZBAHLZ-LJQANCHMSA-N 360.413 3.491 0 1 FGAF COc1ccc(C[C@@H]2/C(=C/c3ccc4c(c3)OCO4)CO[C@H]2O)cc1OC 14676636 YXNHNPCOSSOQPL-GNRNUKCRSA-N 370.401 3.023 0 1 FGAF Cc1c(C)c2ccc(OCC3CCN(CCCCO)CC3)cc2oc1=O 1857609018 VTPAGWWPFBCDCN-UHFFFAOYSA-N 359.466 3.273 0 1 FGAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 2047672 RXQAVKWRCZYGMV-UHFFFAOYSA-N 367.405 3.159 0 1 FGAF in-vivo O=C(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 3815050 IGLQVXWYTLQQLP-UHFFFAOYSA-N 374.198 3.027 0 1 FGAF CCOC(=O)c1c(-n2ncnc2-c2ccncc2)sc2c1CCCC2 4030575 RAZJLXHAQUQBBY-UHFFFAOYSA-N 354.435 3.446 0 1 FGAF O=C(O)C[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305944 VCYZFSVEBCSKFO-LSDHHAIUSA-N 356.470 3.246 0 1 FGAF CN1CCN(C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)CC1 20556906 REBGUWBJJHCZMH-UHFFFAOYSA-N 372.900 3.318 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 64526805 UFBRQERFYMHTLN-OWSLCNJRSA-N 361.438 3.462 0 1 FGAF CC(=O)Nc1ccc(CNC[C@@H]2COCc3nc4cc(C)ccc4n32)cc1 2356736988 HNZLXXUUPRWTQD-GOSISDBHSA-N 364.449 3.164 0 1 FGAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cccc(OC(F)(F)F)c1 61905921 HYFGEOGUITXRTM-INIZCTEOSA-N 358.360 3.106 0 3 FGAF O=C1COc2ccc(NC(=O)C3CCN(c4cccc(F)c4)CC3)cc2N1 35950484 OQBVUVUZTRKEGV-UHFFFAOYSA-N 369.396 3.012 0 1 FGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CC)nc12 34524533 NERZUYNHTDRKCC-UHFFFAOYSA-N 365.416 3.085 0 1 FGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1ccccc1 72136791 KPNHCDXBJYVCDH-LJQANCHMSA-N 371.458 3.230 0 3 FGAF NCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 224920931 HQWOFYORDACBAM-NRFANRHFSA-N 373.928 3.022 0 1 FGAF CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12 49068541 ZMVXFOVZINVXSB-UHFFFAOYSA-N 368.868 3.329 0 1 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3N=CNC(=O)[C@H]32)cc1 195154679 QJQREYVFCQOAIW-SYYKKAFVSA-N 358.397 3.473 0 1 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2 28820375 NNJWBZJTAKJKBL-UXHICEINSA-N 360.406 3.412 0 1 FGAF biogenic CCCCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O 299836078 YMJNZPNQUYSCLZ-UHFFFAOYSA-N 358.346 3.461 0 1 FGAF COc1cc(C=O)ccc1OC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 473091583 RATNZZWANPYCNN-WEVVVXLNSA-N 374.776 3.323 0 1 FGAF COc1nccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c12 586965249 HIHVCRRSAUNWCG-UHFFFAOYSA-N 366.450 3.363 0 1 FGAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587933516 ZDCVGKPOCUCFPK-ACJLOTCBSA-N 358.419 3.263 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)cc3c1N(C)CCC3)O2 587402147 ZBRIZYIWSMMVOQ-IBGZPJMESA-N 350.418 3.479 0 1 FGAF Cc1nc(Br)sc1-c1nc2c(S)nc(S)nc2[nH]1 587014793 RAMPHIYAEVOSQQ-UHFFFAOYSA-N 360.287 3.125 0 1 FGAF CNc1cc(Cl)ccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587066544 MKWHKTNLFQTVNB-UHFFFAOYSA-N 364.858 3.175 0 1 FGAF COCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400141 OCWOIVXUDHZWDD-OAQYLSRUSA-N 371.433 3.492 0 1 FGAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C1 587581404 HKFWQUFVNSIDNV-XQAUZQBESA-N 353.418 3.454 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cn2)N1 587770308 IOPHVOAYHSRBHC-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CS(=O)(=O)/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586926011 LYPYMXNDFQUEIB-NSCUHMNNSA-N 369.162 3.360 0 1 FGAF Cc1ccc(-n2ccnc2SCc2nc3cnnc(O)c3[nH]2)c(C)c1 586966112 FZVPYALSDLPPNS-UHFFFAOYSA-N 352.423 3.153 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3ccccc3Oc3cnccn3)c3cccc1c32 963021427 GYTFDQKMWSRWMM-RCDICMHDSA-N 372.428 3.412 0 1 FGAF CCC[C@]1([C@@H](CC2CC2)C(=O)OCC)NCCc2nc3ccccn3c21 962989252 ZKNLPTGPBLLEHB-HRAATJIYSA-N 355.482 3.455 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962718105 RKCCRZUBFBGONC-OXJNMPFZSA-N 362.514 3.417 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2cc3cnccc3[nH]2)C1 1772620557 VREZBUJXBMWSOQ-AWEZNQCLSA-N 372.469 3.330 0 1 FGAF O=C(Cc1ccc(C(=O)O)cc1)N[C@H](c1ccccc1)N1CCCCC1 13832009 YGGZWMQIVTXPPA-FQEVSTJZSA-N 352.434 3.228 0 1 FGAF COC(=O)[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC(=O)c1ccoc1 15193766 RXMKNHZLQNBAPQ-QUUBWDHISA-N 372.417 3.321 0 1 FGAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C3CC3)C[C@H]2[C@@H](CF)S1 209346229 ZOKDMAYUPFRZKD-DPAVQSFQSA-N 356.413 3.375 0 1 FGAF O=C1CCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857645934 GTYLNENMAJWOPX-HNNXBMFYSA-N 358.388 3.446 0 1 FGAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)(C)CO 775904 BMMRFWJGJIUACT-UHFFFAOYSA-N 360.454 3.396 0 1 FGAF Cc1cc(C(=O)NCc2ccccn2)c2c(C)nn(-c3ccccc3)c2n1 6746424 QDQFAFWUJZVSLC-UHFFFAOYSA-N 357.417 3.362 0 1 FGAF CC(=O)NCn1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)o1 28382768 FOKBYCBTRDHULS-UHFFFAOYSA-N 368.233 3.240 0 1 FGAF COc1ccc(CNC(=O)c2cn(Cc3ccccc3F)c(=O)s2)cc1 61907826 VGZVCRZQVJDRMW-UHFFFAOYSA-N 372.421 3.036 0 3 FGAF Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)N[C@@H]3CCCC[C@H]3N2)cc1 27098509 WJASGKFVGUSBTB-QZTJIDSGSA-N 373.460 3.100 0 1 FGAF COC(=O)[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12 2356703249 SUTLCIJKBGLHOW-SGLNWRHMSA-N 358.434 3.397 0 1 FGAF O[C@@H](COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1 217103896 XAKRWZAZKPLRIX-JOCHJYFZSA-N 366.505 3.474 0 1 FGAF COc1cc(C(C)=O)ccc1OCCCN1CCN(c2ccccc2)CC1 40505802 QWDIILSYHOMPSG-UHFFFAOYSA-N 368.477 3.489 0 1 FGAF CN(C)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95584006 FFQSQYJHYUVPES-UHFFFAOYSA-N 373.416 3.306 0 1 FGAF COc1cc(-c2oc3c(OC)cc(/C=C/CO)cc3c2CO)ccc1O 238744651 MISNZRFUPUQJBT-ONEGZZNKSA-N 356.374 3.320 0 1 FGAF CN(C)c1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906574 BQQQVZOHJPVMEB-OALUTQOASA-N 360.461 3.367 0 1 FGAF Nc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c(C(=O)O)c1 95560200 TYLKNQRYYQGQQH-UHFFFAOYSA-N 358.353 3.431 0 1 FGAF COc1c([C@@H]2CO[C@H]3C=C(O)C=C(O)[C@@H]3C2=O)ccc(O)c1CC=C(C)C 97608017 GBQGFJSECZVLKZ-SNRMKQJTSA-N 372.417 3.475 0 1 FGAF biogenic,in-vitro CC[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576221 IDRDXHHDBYYQCH-OXJNMPFZSA-N 350.374 3.393 0 1 FGAF COc1cc2c3c(c1)O[C@@](CSCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587453845 UNPNQTTYCORDOL-YWZLYKJASA-N 370.426 3.156 0 1 FGAF Nc1ccc(-c2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)cc1N 586924092 GZEKGFYPEPXRAP-UHFFFAOYSA-N 370.478 3.252 0 1 FGAF CCOC(=O)C(=O)Cc1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587108176 WTEXDECOIIBEAS-UHFFFAOYSA-N 359.381 3.429 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587785381 NXPSITVONVWFBY-GJZGRUSLSA-N 361.401 3.391 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(CCO)cc2[nH]1 586984561 SOVWDEBKYKPMLY-CQSZACIVSA-N 360.255 3.103 0 1 FGAF Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1C 587133872 GALJFTSXKZBVQP-UHFFFAOYSA-N 369.368 3.076 0 1 FGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C3=COCC3)[nH]c2c1 586913490 PIALGOOLHLTUFT-UHFFFAOYSA-N 371.418 3.134 0 1 FGAF Nc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1N 587077250 SNHGSKDDBZHORX-UHFFFAOYSA-N 354.801 3.216 0 1 FGAF Cc1c(O)ccc2c1[C@]1(CCSc3c(F)cccc31)N[C@H](C(=O)O)C2 963471096 MPRNDQCXAGHJRZ-IFXJQAMLSA-N 359.422 3.178 0 1 FGAF Cn1c(=O)n(CCCCN2CCN(C3CCCCC3)CC2)c2ccccc21 144086449 WSCMDSDVNPOTBT-UHFFFAOYSA-N 370.541 3.071 0 1 FGAF Cn1ccc(CC(=O)N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1 12373084 NRJYCOLDVWVCOR-UHFFFAOYSA-N 360.885 3.065 0 1 FGAF CC1(C)CC(=O)N2Cc3c(-c4noc(C5CC5)n4)ncn3-c3cccc1c32 13760368 ZSDLFZKXYVEZDI-UHFFFAOYSA-N 361.405 3.328 0 1 FGAF investigational COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 2480860 YAEGNQLTAVIUNN-UHFFFAOYSA-N 352.390 3.393 0 1 FGAF CO[C@H](C=Cc1ccccc1)C[C@H](CC=C[C@H]1C[C@@H](O)CC(=O)O1)OC 2356457956 COSPBJKXLJQUJI-WCIQWLHISA-N 360.450 3.133 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CCC4=C(Br)C(=O)C=C[C@@]43O)[C@@H]1CCC2=O 6040949 TXYSTZDCUPYITK-YMKFXDTLSA-N 365.267 3.311 0 1 FGAF COC(=O)c1sccc1NC(=O)C1=C(C)C(=O)OC12CCCCCC2 6933164 ZOMRPTVRBYOMCJ-UHFFFAOYSA-N 363.435 3.440 0 1 FGAF Cc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(CC2CCCC2)n1 101550388 WYGCEDXALOACTP-UFPKGQBESA-N 369.509 3.187 0 1 FGAF CC(C)CCN1C[C@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 2356302160 NFQMOVNNRJMKCJ-QUCCMNQESA-N 365.477 3.496 0 1 FGAF Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 113335006 WZFYVAXGOJDHFD-YLJYHZDGSA-N 371.525 3.423 0 1 FGAF O=C(Nc1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356780192 ORHKDBDOZCFYMX-WMLDXEAASA-N 372.375 3.473 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)=CN1 2356854794 SIZZTWVHXOEWCY-KRWDZBQOSA-N 368.436 3.097 0 1 FGAF CO[C@@H]1CC[C@@H]2c3c(ccc(O)c31)[C@@]1(O)c3cccc(O)c3C(=O)C[C@H]21 13431314 KILVFQPOBUNVMF-XNMXRAKZSA-N 352.386 3.115 0 1 FGAF biogenic Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 653727922 ONHURQQWIIHOBL-UHFFFAOYSA-N 357.387 3.353 0 1 FGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 653895457 TVPLQHRHLFEEFF-UHFFFAOYSA-N 365.364 3.151 0 1 FGAF N=c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c[nH]1 586960924 QYHMMXUISJINIK-SANMLTNESA-N 362.458 3.409 0 1 FGAF CC(C)(C)OC(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 587652803 KWJVGJCVGMVLSS-UHFFFAOYSA-N 357.797 3.389 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(O)c(OC)c(OC)c1)[C@@H](C2)C3=O 587440606 ADNDKNMTZQFVDN-RBZFPXEDSA-N 356.374 3.081 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437810 LKUIWSWDVDJKIC-YZIJFISFSA-N 359.422 3.211 0 1 FGAF O=C(Cc1cccnc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661364 XYIYGHPODASSSA-UHFFFAOYSA-N 359.360 3.481 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080036 KHBLDHFEZKKTFY-AWEZNQCLSA-N 350.783 3.139 0 1 FGAF Cn1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587551563 GYAKFYLYLTXIHA-KSSFIOAISA-N 356.765 3.482 0 1 FGAF COc1c(F)ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1N 587132406 AENHYJHWWFWFTA-UHFFFAOYSA-N 361.686 3.374 0 1 FGAF FC(F)(F)c1ncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 587040364 HJSHGQCUFNOAGC-RYUDHWBXSA-N 365.384 3.270 0 1 FGAF Cc1csc([C@](O)(Cc2nc3ccnc(Cl)c3[nH]2)C(F)(F)F)n1 587094334 PWNPNPRCIAKEEP-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF Cc1nc2[nH]c(CCOc3ccc(C=O)cc3)nc2cc1Br 587566498 PKJXYXXYWMBKMK-UHFFFAOYSA-N 360.211 3.463 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1nccn1C)[C@@H](C2)C3=O 587431693 QKIFHKRYYQLEAK-JTSKRJEESA-N 360.413 3.428 0 1 FGAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2cc(F)ccc12 587636695 DGYHEDWJOHXAPS-UHFFFAOYSA-N 372.352 3.061 0 1 FGAF COc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774485 VQQMQHXOAIFWTH-GLEZIHRCSA-N 352.207 3.010 0 1 FGAF Cc1cc2c(cc1O)[C@]1(CCCC[C@H]1[C@@H]1CCCCCN1)N[C@H](C(=O)O)C2 963550154 KIPXDULDCKBHAW-JLEJFLCFSA-N 372.509 3.217 0 1 FGAF C[C@H](c1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1)N(C)C 962931740 PEFUUJONONZCNJ-QVKFZJNVSA-N 351.494 3.246 0 1 FGAF CCOC(=O)[C@@H]1CCOCC[C@@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962953074 PSLKGMSGXYSYLM-DAESXHAQSA-N 356.466 3.277 0 1 FGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962956583 YNGBSJADIRHREC-WMHILYHISA-N 352.434 3.343 0 1 FGAF CCOC(=O)c1csc(-c2csc(-c3csc(CN)n3)n2)n1 1772631509 AVPJOIVYECQGAL-UHFFFAOYSA-N 352.466 3.026 0 1 FGAF NC(=O)c1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772578857 VVBVLMRXIYLEOF-INIZCTEOSA-N 354.337 3.186 0 1 FGAF Fc1ncc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)cc1Br 13560806 ARRBESCOIKGTQP-VIFPVBQESA-N 372.625 3.439 0 1 FGAF COc1cccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)c1 169715449 VJXQHMLSJYZWBU-BLVKFPJESA-N 373.405 3.209 0 1 FGAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC[C@H](c2cnc[nH]2)C1 201775860 UBQDXJDAINPPJL-INIZCTEOSA-N 368.462 3.040 0 1 FGAF C[C@H](CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12 2493977 PSOMLXHKCGSJDS-CQSZACIVSA-N 370.474 3.361 0 3 FGAF Cc1ccnc(SCc2cc(O)c3c(O)n(-c4ccccc4)nc3n2)n1 103524126 JRACERIPNHQAOK-UHFFFAOYSA-N 365.418 3.222 0 1 FGAF Cc1noc(C)c1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356764408 FWXGOVZQFAUWDF-RJOZEALSSA-N 369.509 3.256 0 1 FGAF O=C(Nc1ccccc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907164 BHBVXVLTAIEKBH-LJQANCHMSA-N 360.369 3.420 0 3 FGAF C[C@@H]1O[C@@H](OCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219955868 DIYWZICECWKTIT-XKCSVMQCSA-N 372.502 3.402 0 1 FGAF in-vitro Cc1nc2cc(-n3ncc(C(=O)c4nc5ccccc5s4)c3N)ccc2[nH]1 149998144 IVGKGVVDKSMSSX-UHFFFAOYSA-N 374.429 3.480 0 1 FGAF CN(CCc1ccccc1)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C1CC1 95601638 QNSAHESAHZEOQN-NRFANRHFSA-N 366.461 3.349 0 3 FGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 253665594 PGZGPYMGHNIKHG-OMWFQVSUSA-N 367.511 3.107 0 1 FGAF Cc1cccc(C)c1S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 299819658 BANYZZWBYQJCNT-UHFFFAOYSA-N 362.838 3.370 0 1 FGAF CC(C)[C@@H]1c2cc(F)ccc2CCN1C(=O)CNCC1(O)CCCCC1 473110330 VKCGDFUTOWVQOY-HXUWFJFHSA-N 362.489 3.192 0 1 FGAF CN1CCN(c2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)CC1 587087221 CCOPGDDWERBKDM-CYBMUJFWSA-N 361.440 3.064 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(C=O)cc1OC)[C@@H](C2)C3=O 587443290 NOZAGTBBFWUESB-VBKZILBWSA-N 354.358 3.014 0 1 FGAF COC(=O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074943 BLDXDOHAEZLEFU-UHFFFAOYSA-N 353.769 3.251 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587231347 NPTPNXDXZMMLFW-UONOGXRCSA-N 352.438 3.148 0 1 FGAF O=C1C[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)CN1Cc1ccc(F)cc1F 587150359 SVKABFUSQBWQBR-LBPRGKRZSA-N 367.359 3.234 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cnccn12 587589883 YILUXDUIDMPFHN-FXAWDEMLSA-N 359.341 3.138 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](OC)O1 587832398 JRJURCAZAQVEED-CCWPCAKRSA-N 374.250 3.145 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cccc21 587372254 OTYBUYFTBZBMED-QGZVFWFLSA-N 373.206 3.153 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(C)cc1 587208117 ZFVUCPOEJGIBOH-HNNXBMFYSA-N 355.369 3.129 0 1 FGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc[nH]c(=N)c3[nH]2)c(O)c1 587240644 MVQDZHWNKOQVSX-UHFFFAOYSA-N 373.416 3.233 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccccc2)N1 587829900 YTBLDQLOBMEBIH-DIFFPNOSSA-N 350.231 3.358 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccc(OC)cc3C(F)(F)F)nc12 587098525 SEWSXNJPNFSGSA-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(Cl)cc21 587378717 DKSORGAVFAQSCR-IBGZPJMESA-N 371.776 3.452 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C(F)F)[C@H]1CCCCC1=O 963630125 BRZIPWLGOVETSE-BLWXERESSA-N 353.409 3.458 0 1 FGAF Cc1nc(C)c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)o1 962659187 DTMOUZTUWXSEMQ-RTWAWAEBSA-N 365.433 3.202 0 1 FGAF O=S(=O)(c1ccc(O)c2ncccc12)N1CCc2c(Cl)cccc21 1772640976 LTQVTTNJIUSADS-UHFFFAOYSA-N 360.822 3.345 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCc2ccccc2)N(C)[C@@H]31 12509886 LEXMKBIUBIUDRP-DUXKGJEZSA-N 374.488 3.345 0 1 FGAF CC(=O)Nc1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1 13677085 LXBYFQPINRGCKT-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF O=C(Cc1ccccc1)Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2 14949189 QAROPOMHRWJDMK-UHFFFAOYSA-N 361.405 3.139 0 1 FGAF CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19446077 DMKKXCDJXZZGJN-GOSISDBHSA-N 374.558 3.040 0 3 FGAF O=C(Cn1cc(-c2ccc(F)cc2F)nn1)NC12CC3CC(CC(C3)C1)C2 169310927 LZTQIZAUHTXGDX-UHFFFAOYSA-N 372.419 3.308 0 1 FGAF O=C(CCC(F)(F)F)N1CCC(n2[nH]c(-c3ccccc3)cc2=O)CC1 169726122 PYHPLFFKDMLKGF-UHFFFAOYSA-N 367.371 3.349 0 1 FGAF CN1[C@H](c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O 201590763 KROMBOYJTQZMDC-QGZVFWFLSA-N 361.373 3.205 0 1 FGAF O=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC[C@@H](F)C1 1857591040 AGIPBGOLTFGLLO-QGZVFWFLSA-N 372.419 3.070 0 1 FGAF Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1 1486164 NKFUGHMWDKIDBC-UHFFFAOYSA-N 350.346 3.243 0 1 FGAF CCN1C(NCc2ccc(Cl)nc2)=C([N+](=O)[O-])[C@@H](C)C[C@@H]1OC(C)C 103216391 VQAPFDYWQUEKTQ-WFASDCNBSA-N 368.865 3.383 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2 100762014 PETAHELMBJGYJY-LTPVDVCHSA-N 350.256 3.449 0 1 FGAF CC(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117622303 NPOBRLLPFGSKOB-NQIIRXRSSA-N 374.444 3.466 0 1 FGAF O=C(Nc1ccc(F)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523895 IQKKYLOHMCQPSX-RTBURBONSA-N 354.429 3.048 0 1 FGAF CCN(C(=O)C(C)C)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184807 CHQDCYKUBGQVEA-UHFFFAOYSA-N 364.311 3.464 0 1 FGAF COCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133625 GVVQOPARDXQGQP-UHFFFAOYSA-N 362.433 3.132 0 1 FGAF CCC(=O)N1c2c(O)cccc2[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 238781541 FXTSWBYVERYBPB-CIQXWFTPSA-N 368.477 3.152 0 1 FGAF Cc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc(O)c1F 141556721 CQAFNLHUOGSOKS-UHFFFAOYSA-N 369.331 3.336 0 1 FGAF C/C=C1/CN2[C@H]3C[C@@H]1[C@H]1[C@@H]2C[C@@]2(C3=Nc3ccc(OC)cc32)[C@H]1OC(C)=O 238743335 ZCVCMEPRSGMRMX-NTOVIVTHSA-N 364.445 3.003 0 1 FGAF CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccncc21 144473743 LRPNITWPHYVRQF-NSHDSACASA-N 364.858 3.144 0 1 FGAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1cccc(F)c1 95605486 GSNUILLOMDTHCS-KRWDZBQOSA-N 351.385 3.139 0 3 FGAF Fc1ccc(OCc2nc3cc(I)cnc3[nH]2)cc1 587168940 OIRGAWOIYKENSP-UHFFFAOYSA-N 369.137 3.281 0 1 FGAF Cc1ocnc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655664 DHAZLIJIZSEMCS-UHFFFAOYSA-N 367.311 3.327 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2ccc(SC)cc2[nH]1 587569320 PXKNRPWJWCPGFH-UHFFFAOYSA-N 366.483 3.204 0 1 FGAF COC(=O)C[C@H](C(=O)OC)[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962659931 BIKVNBQUXSHZEW-DENIHFKCSA-N 367.445 3.067 0 1 FGAF O=C1c2cccc3c(-c4nc5ccccc5o4)ccc(c23)C(=O)N1CCO 1772645513 LINJVJBGJUXEGG-UHFFFAOYSA-N 358.353 3.236 0 1 FGAF COc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1N 13473121 BXDOMEUYMUKTSS-UHFFFAOYSA-N 355.394 3.360 0 1 FGAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1=O 200050444 HERZQJRLPBWTIH-LJQANCHMSA-N 354.425 3.445 0 3 FGAF CCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1 1336770 WBBOPZVZERIPRE-UHFFFAOYSA-N 363.401 3.340 0 3 FGAF Cc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccccc3)c2=O)cc1 4913690 SMEUEHWRXKXRGO-UHFFFAOYSA-N 368.458 3.314 0 3 FGAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc3c2OCO3)cc1OC 1911573483 HEFQGSAVSRGRQT-JKSUJKDBSA-N 370.401 3.007 0 1 FGAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 101366346 LWMPULARVSIYHV-CEQLMSFQSA-N 350.462 3.402 0 1 FGAF CSc1cccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c1 28520331 AMCOPESHPFZHIR-UHFFFAOYSA-N 372.471 3.418 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccc(O)cc2)O3)S1 26957058 FWRGMNJCWPVFBZ-WMZOPIPTSA-N 369.442 3.223 0 1 FGAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1cn(C)c3ccccc13)C2 2356452284 KYQXQLQGQMIGNL-LJQANCHMSA-N 364.493 3.085 0 1 FGAF Cc1ccc(NC(=S)O[C@@H](C)CN2C(=O)c3ccccc3C2=O)cc1 28521783 FMUURKRDIRULEA-ZDUSSCGKSA-N 354.431 3.393 0 1 FGAF C[C@]1([C@H](O)C=Cc2ccccc2)C(=O)O[C@@H](CCc2ccccc2)C[C@@H]1O 2356606030 ZYORESFJFXBQPU-OQLXKQOESA-N 366.457 3.376 0 1 FGAF Cc1csc2nc([C@H](C)NC(=O)CCC(=O)c3ccccc3)oc(=O)c12 27518852 XNHMSWHESLNUDD-LBPRGKRZSA-N 370.430 3.398 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@H](C=C[C@@]12C)[C@]43O 2356631717 LRXSXOUROHJARD-IZHCSUDYSA-N 369.505 3.129 0 1 FGAF COc1cc(C)cc(OC)c1OC(=O)[C@H](CCSC)N1CCCC1 36080034 GSQUVACNRWTDLB-AWEZNQCLSA-N 353.484 3.135 0 1 FGAF COc1cc(NC(=O)C[C@@]2(C)N=C(c3ccccc3)N(C)O2)cc(OC)c1 74373531 MWQIPRCPJFYHLA-FQEVSTJZSA-N 369.421 3.072 0 3 FGAF COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 71316623 MBVVVQZOMZFVJF-QGZVFWFLSA-N 363.461 3.090 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@@H](O)c3ccnc(F)c3)c2c1 73199098 SPTLTOMHDUZGDO-SFHVURJKSA-N 352.369 3.352 0 1 FGAF CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40378970 VAAUGDOWUMNJBI-YXZIBZLCSA-N 366.841 3.381 0 1 FGAF COc1cccc(-c2oc3c(c2C(=O)OCCN(C)C)[C@@H](O)CCC3)c1 95599607 YGPFOCHNQHDEHJ-HNNXBMFYSA-N 359.422 3.043 0 3 FGAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)(C(O)O)CC2=O 587459485 DOUIRAFYMYOJFW-IBGZPJMESA-N 362.809 3.170 0 1 FGAF NC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120425 ILOHUGYERVIYCS-UHFFFAOYSA-N 363.221 3.090 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N(C)C)n2)N1 587755164 NDAUYFORJLTNIY-VFZGTOFNSA-N 365.250 3.068 0 1 FGAF O=C1CSc2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2N1 587044173 QWWXFWBKPCHDKF-UHFFFAOYSA-N 351.313 3.035 0 1 FGAF O=C(c1ccc(-c2cnco2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652616 WVUSMSFFNRCJAU-UHFFFAOYSA-N 351.749 3.393 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1N1CCOCC1)[C@@H](C2)C3=O 587424806 VLUOHNXACUFTID-QKKBWIMNSA-N 369.392 3.160 0 1 FGAF CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1 148496481 CHPBHMSZQMSCEO-UHFFFAOYSA-N 358.507 3.493 0 1 FGAF COc1ccc2cnc3c(C(=O)OCc4ccccc4OC)cnn3c2c1 1772632148 QLYDHVCGAOUUFA-UHFFFAOYSA-N 363.373 3.257 0 1 FGAF COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1O 13473114 DJFPFYVLJXYUSM-UHFFFAOYSA-N 356.378 3.279 0 1 FGAF CCOC(=O)[C@H]1Oc2ccccc2C(c2ccc(F)cc2)=C1C(=O)OC 13814320 JFEWRADRVNBFDF-SFHVURJKSA-N 356.349 3.125 0 3 FGAF COC(=O)c1c(O)cc(O)c(CO)c1OC/C=C(\C)CCC=C(C)C 205003511 VBSHZLVYRHEDJB-MDWZMJQESA-N 350.411 3.448 0 1 FGAF Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)CS(=O)(=O)O2 1857586271 YQVMGFONKZYAKF-MRXNPFEDSA-N 358.394 3.174 0 1 FGAF COc1ccccc1CN1CCN(C(=S)Nc2cc(C)cc(C)n2)CC1 1857752503 QBJKQZKFUKRAAV-UHFFFAOYSA-N 370.522 3.222 0 1 FGAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1 3956044 OSWPHAFWMSAQAD-UHFFFAOYSA-N 371.506 3.153 0 1 FGAF COc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1 4238801 XJWFISOQTQLFDX-UHFFFAOYSA-N 358.401 3.105 0 1 FGAF O=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 8061969 UZCNJAMQHDXXDV-NRFANRHFSA-N 362.473 3.441 0 1 FGAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@](O)(OC(C)=O)C1)[C@H]32 2356439118 FKGZSHKJEFLYLN-PCCBWWKXSA-N 352.434 3.076 0 1 FGAF O=C1NC(=O)[C@@H](Cc2ccc(OCCN3CCc4ccccc43)cc2)S1 29393433 WWGVNZWSVJDZLH-GOSISDBHSA-N 368.458 3.022 0 1 FGAF CC(C)(C)C(=O)/C=c1/nc(O)/c(=C/c2ccc(C(F)(F)F)cc2)s1 103754913 HUUPKIWXLAMQNQ-RXAUVDRZSA-N 355.381 3.092 0 1 FGAF O=C(O)c1cn(C2CC2)c2c(F)c(N3C4CCC3CC4)c(F)cc2c1=O 26955153 OCJKHWRJFRTWCY-UHFFFAOYSA-N 360.360 3.444 0 1 FGAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccc(C)cc1 66259266 JJYNQBZWIROMLA-LJQANCHMSA-N 356.447 3.096 0 1 FGAF CCCC(CCC)C(=O)OCN(CC(=O)OCC)C(=O)c1ccccc1 72178223 WGUSHBBFCXFEOR-UHFFFAOYSA-N 363.454 3.409 0 1 FGAF CC1=C[C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@@]34CC(=O)C[C@@]3(C)[C@@]2(CC1)CO4 2356807028 AIYSATQWSAEUJE-ZONLJJFTSA-N 368.429 3.433 0 1 FGAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@H]3C[C@H]21 2356811469 BOXAXUDYLAXNBW-RWULDMNWSA-N 352.434 3.075 0 1 FGAF COc1cc(O)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 14643844 YHUVYYVAPBAXIH-AWEZNQCLSA-N 360.362 3.133 0 1 FGAF biogenic CCN(CC)C(=O)c1c(N(C)CC)c2cccnc2n2c(C(C)C)nnc12 40864097 WYJPKTDSAFUPNZ-UHFFFAOYSA-N 368.485 3.339 0 1 FGAF Cc1nc2sc(C(=O)NCC[C@@H]3CCCN3C)c(N)c2c(C)c1Cl 95597589 CXEWGCBPPMLNHF-NSHDSACASA-N 366.918 3.363 0 1 FGAF COC(C)(C)[C@@H]1CCCCN1C(=O)[C@@H]1CNC[C@]12CCCc1ccccc12 473182568 VZSJSTNSKJKXPA-JTAQYXEDSA-N 370.537 3.286 0 1 FGAF CCc1coc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5CC)c4)[nH]c23)n1 653633833 WYVBTFTYKGFBCX-UHFFFAOYSA-N 374.404 3.277 0 1 FGAF O=C(c1ccccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656543 MXJMOQROOBEPCA-UHFFFAOYSA-N 363.323 3.425 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757209 OBTANLATZQCNKH-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccccc2)N1 587827009 MLGROJXASMOSDU-PIGZYNQJSA-N 350.231 3.358 0 1 FGAF COc1cc2c3c(c1)O[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428878 MUYCIKGFAAHZFG-GUYCJALGSA-N 361.438 3.457 0 1 FGAF CCOC(=O)[C@@H](Cc1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397702 AIUHAVVLMWSZOI-QFBILLFUSA-N 353.418 3.333 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Cl)cc(Br)c1C3 587365928 IRWJNPAIGDAVKA-UHFFFAOYSA-N 364.586 3.423 0 1 FGAF O=C(NC[C@@H]1CCCN(C2CSCCSC2)C1)c1cccs1 12431754 KGCAOECGXYSNAI-ZDUSSCGKSA-N 356.582 3.039 0 1 FGAF CN(c1ncc(Cl)cn1)[C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540590 HUWKTQHBCWOBRA-ZDUSSCGKSA-N 370.840 3.163 0 1 FGAF COc1cc(/C=C/C(=O)N2CCC/C(=C/C(C)C)C2=O)cc(OC)c1OC 1857652250 ZBPIJKNWTXVSJU-UVBRKHIMSA-N 373.449 3.457 0 1 FGAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCc1c[nH]c3ccccc13)C(=O)C2 3306640 NDEVSVLKYIQLLC-FOIQADDNSA-N 374.506 3.025 0 1 FGAF N=c1cc(F)c(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)c[nH]1 1911585821 TXJGOKZAFCPPSJ-HNNXBMFYSA-N 351.429 3.402 0 1 FGAF COC(=O)[C@@H]1CC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2356309154 FNVSXZHYPJQAOP-DYKFCPGESA-N 374.433 3.459 0 1 FGAF O=C(Nc1cccc(-c2cscn2)c1)C1CCN(C[C@H]2CCOC2)CC1 20608520 RQSQNHUFBYNUTA-OAHLLOKOSA-N 371.506 3.497 0 1 FGAF CN1CCC[C@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 36289026 PZWKLTYXDORWCQ-HNNXBMFYSA-N 364.449 3.434 0 1 FGAF COc1ccc(-c2[nH]nc(O)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 49069714 YFVBBVCSJWJGEJ-UHFFFAOYSA-N 372.377 3.189 0 1 FGAF COc1cccc2c1C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 49033927 CQHQWTYHGDSKFU-ZDUSSCGKSA-N 373.416 3.329 0 1 FGAF CC1(C)C=C(CSc2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1O 84723866 UJVDBCFFKRDFKX-UHFFFAOYSA-N 360.483 3.332 0 1 FGAF COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc(OC)c(OC)cc21 196063123 KUHFDZAEYVTHRS-SJORKVTESA-N 355.434 3.396 0 1 FGAF Cc1n[nH]cc1-c1ccc2nc([C@@H]3CNC[C@H]3c3ccccc3)[nH]c(=O)c2c1 95592974 DXRQXQREFAHWMM-RBUKOAKNSA-N 371.444 3.092 0 1 FGAF COc1cc(/C=C\c2ccc(N3CCNC3=O)cc2)cc(OC)c1OC 230474843 DGQCLYJBZHNLFX-PLNGDYQASA-N 354.406 3.412 0 1 FGAF COc1ccc([C@]2(COC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403747 QHDYCJSFCMSMCG-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF CC(=O)N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(C)cc1 587207793 WELCPKKZAGKZQV-GFCCVEGCSA-N 363.343 3.052 0 1 FGAF O=C(O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587116878 BQFSNKYFUVXHQQ-UHFFFAOYSA-N 350.300 3.402 0 1 FGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnncc3[nH]2)c(C2CC2)n1 587232659 YIOJTSNMWIXDOZ-UHFFFAOYSA-N 366.425 3.317 0 1 FGAF CCOC(=O)C[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516771 ZMIGYVUZNDMQOK-NRFANRHFSA-N 366.417 3.169 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]c(=N)sc41)[C@@H](C2)C3=O 587450082 DGBXLWQYUOCKPH-WLRWDXFRSA-N 356.447 3.180 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(Cl)c[nH]c-4n3)cc2N1 587126847 NKHGXGOKTPVSSK-IYSWYEEDSA-N 357.727 3.129 0 1 FGAF CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381582 JSBYDPQWGKYUAU-HXUWFJFHSA-N 373.380 3.149 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(C4OCCCO4)c3)c3cccc1c32 963026781 KMWBJRNVUWTSMH-IIBYNOLFSA-N 364.445 3.265 0 1 FGAF CC(=O)N1C[C@@H]2CC[C@]3(NCCc4c3c(C(C)C)nn4C)c3cccc1c32 962921591 UTIPVSJOOUOJAU-NYHFZMIOSA-N 364.493 3.177 0 1 FGAF COc1cccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)c1 169715450 VJXQHMLSJYZWBU-HXPMCKFVSA-N 373.405 3.209 0 1 FGAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 169723963 PQFSOZYHJGHBCM-WBVHZDCISA-N 359.422 3.355 0 1 FGAF CN1C(=CC=C2C=c3ccccc3=N2)C=C(N2CCCC2)c2ccccc21 1857608374 HINSNDXDZAKVBL-UHFFFAOYSA-N 353.469 3.455 0 1 FGAF OCc1cccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)cc2)c1 220736511 KUEFKUNEPNBUDQ-QFIPXVFZSA-N 360.461 3.371 0 1 FGAF O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 2966736 NZLBXIGJLJYZBK-LJQANCHMSA-N 359.495 3.215 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1cccnc1 100574338 QTDRDNOQHMFTSZ-DSIZOQBWSA-N 374.400 3.037 0 3 FGAF O=C(N1CCCCC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1 103298497 JANZPYBUCSVYKY-UHFFFAOYSA-N 362.433 3.016 0 1 FGAF CN1CCN(NC(=O)c2c(-c3ccccc3)sc3ccccc23)CC1 61948007 LIHXKLBZOXACQS-UHFFFAOYSA-N 351.475 3.461 0 3 FGAF C[C@](O)(c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61926946 WTMQYRJSLQUHLZ-SFHVURJKSA-N 359.472 3.469 0 3 FGAF CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 27725116 SLKDSLAWMQSCJY-HPCJDURASA-N 369.527 3.134 0 1 FGAF CC(C)=CCc1ccc2[nH]cc(C[C@@H]3NC(=O)[C@H](CC(C)C)NC3=O)c2c1 2356536075 OPJDHMQJVPIBCH-PMACEKPBSA-N 367.493 3.248 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](O)[C@H]3CC[C@H]4C(C)(C)[C@H]1C[C@@]234 2356673225 JVMIMRFLGUGLOG-NXSGMBKESA-N 362.466 3.184 0 1 FGAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3C=Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 2356811468 BOXAXUDYLAXNBW-LRTZBTEVSA-N 352.434 3.075 0 1 FGAF CC(C)c1c(Cc2ccc(F)cc2)n(Cc2ccccc2)c(=O)n(O)c1=O 71316553 JZJHSIOZJKEBRS-UHFFFAOYSA-N 368.408 3.149 0 1 FGAF CC(=O)N1CCC[C@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1 72110113 XICDAHNRGPXHTC-KRWDZBQOSA-N 372.400 3.254 0 1 FGAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2nc(Cl)ccc21 45316554 RNLOOHHYFIYFAF-UHFFFAOYSA-N 363.870 3.084 0 1 FGAF COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCC[C@@H]2CO)cc1OC 145388170 MDBIKEYWTAYHSB-QYZOEREBSA-N 363.498 3.031 0 1 FGAF C[C@@H]1C[C@H]2O[C@@H]2Cc2ccc(o2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 96085670 CFVKDYMHTACQOE-KBOAJJQZSA-N 364.781 3.194 0 1 FGAF biogenic COc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccnc1Br 587372469 LRXCIVCHLFDCNJ-ZDUSSCGKSA-N 363.211 3.450 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587236315 UOOYXNBOUGELBU-NXEZZACHSA-N 366.259 3.210 0 1 FGAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)on1 587657351 YXTVJQOGZXHUEN-UHFFFAOYSA-N 367.311 3.327 0 1 FGAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c1 587929622 ZGFOYGOKTONICJ-UHFFFAOYSA-N 367.405 3.086 0 1 FGAF Cc1cc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c(C)n1 587148366 IKTASYWDEUCKLG-ZDUSSCGKSA-N 356.376 3.369 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587787378 VDXDSJUZHXXJBL-GJZGRUSLSA-N 350.374 3.293 0 1 FGAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775171 PHVRWZVUQYSJJU-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(C)cc1 587216672 JAHLVPCPHMDVLV-KRWDZBQOSA-N 362.433 3.176 0 1 FGAF CCc1nc(C)c([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)s1 963240641 ZDDYRIRKLPDLMA-OXJNMPFZSA-N 367.474 3.425 0 1 FGAF O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1F 169286016 UBSLYLLGPZUUQE-UHFFFAOYSA-N 355.344 3.401 0 1 FGAF CCN1CCN([C@@H](CCc2ccccc2)C(=O)NC2CCCCC2)CC1 169341151 KZOHOEXIFASONT-NRFANRHFSA-N 357.542 3.074 0 3 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1 203462691 DKLTULWLDCPDET-UHFFFAOYSA-N 356.813 3.390 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2O/C(=C\CCCC(=O)O)C[C@@H]21 3830761 KAQKFAOMNZTLHT-RFVAJZOTSA-N 352.471 3.409 0 1 FGAF Cc1ccc(S(=O)(=O)CC(=O)c2cc3cccc(C)c3oc2=O)cc1 6918026 PGSQHCNZNQAVFT-UHFFFAOYSA-N 356.399 3.066 0 3 FGAF N=c1cc(-c2cc3c(=O)n(Cc4cccc(F)c4)cnc3s2)cc[nH]1 1911586850 OXWFDKJEHLGZPM-UHFFFAOYSA-N 352.394 3.120 0 1 FGAF Cc1cc(C)nc(SCCCc2cn([C@H]3C[C@@H]4CC[C@H](C3)N4C)nn2)n1 100597540 DKPLWAWQOFROHW-BCDXTJNWSA-N 372.542 3.208 0 1 FGAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(CO)cccc3CC[C@@H]21 117630634 XEFJFMWODFSFDD-PXNSSMCTSA-N 361.445 3.390 0 1 FGAF Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 66259871 SSYOHVGNVICOMU-UHFFFAOYSA-N 361.423 3.042 0 1 FGAF CN1CCN(c2nc3ccccc3nc2Oc2cccc(N(C)C)c2)CC1 29052865 CNOHDZJSJOLNDR-UHFFFAOYSA-N 363.465 3.240 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(CC(=O)OC)C1)[C@@H]32 2356759274 XXLGNVWUAFQREB-FSSWDIPSSA-N 368.477 3.343 0 1 FGAF CC(=O)c1cccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c1 38248894 CGXMLTSZMHGHDD-HXUWFJFHSA-N 357.475 3.351 0 1 FGAF Clc1ccc(-c2nc(CNCCCN3CCOCC3)co2)c(Cl)c1 72182947 MDLQEQZEEDFVAW-UHFFFAOYSA-N 370.280 3.460 0 1 FGAF COc1cc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc(OC)c1 82204201 MUXCOIQVZQTYFL-HUUCEWRRSA-N 372.469 3.028 0 1 FGAF COc1cc(CNc2nc(N3CCCC3)ncc2C)cc(OC)c1OC 82202705 CZDZPZBLZNYORD-UHFFFAOYSA-N 358.442 3.023 0 1 FGAF CCN1C[C@@]23C(=CCC[C@@]45C[C@H](OC)[C@@H](C[C@@H]24)C5=O)[C@@](C)(CC[C@@H]3OC)C1 238782031 XJKCJBPWGFRMFO-FXGFHZKRSA-N 373.537 3.454 0 1 FGAF CCCCCn1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 95604550 DUFMPJLLWSKBLT-KRWDZBQOSA-N 351.410 3.202 0 3 FGAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4cnccn4)cn3)ccc12 98082393 WEZYXRPIBHJFDS-UHFFFAOYSA-N 374.356 3.331 0 1 FGAF Clc1ccc([C@@H](CCN2CCOCC2)N2CCOCC2)cc1Cl 299822376 QIIDHPUHHXZNJR-QGZVFWFLSA-N 359.297 3.089 0 1 FGAF COc1cc(Cl)ccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587066188 HXQLNHSDPFDRFA-UHFFFAOYSA-N 365.842 3.142 0 1 FGAF NS(=O)(=O)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073982 ORQPGTBUPDLUDN-UHFFFAOYSA-N 361.854 3.334 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]c(=N)sc41)[C@@H](C2)C3=O 587450078 DGBXLWQYUOCKPH-JEOXALJRSA-N 356.447 3.180 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3CCN(CC3)C2)N1 587790818 JAMDLPHSTUCBIE-DIFFPNOSSA-N 353.279 3.433 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](OC)O1 587833872 PQZAXSQWCLBMSO-HHWBASHPSA-N 374.250 3.145 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587441751 INXKTOPSQYWWBU-BTYIYWSLSA-N 352.386 3.302 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)c(O)c(C=O)c1)CC2=O 587489758 OWJXJBMDNNXQRB-GOSISDBHSA-N 354.358 3.382 0 1 FGAF COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2c(C(=O)O)cccc12 587638335 XBDDAMCVKHJMLD-UHFFFAOYSA-N 371.320 3.037 0 1 FGAF Oc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1C[C@@H]2c1ccccc1 587560276 DSNFNDMWHVOEMD-OAHLLOKOSA-N 357.369 3.497 0 1 FGAF O=CNC[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989118 XKEKJMMRXDYBSB-LBPRGKRZSA-N 358.397 3.318 0 1 FGAF COCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587760256 OKNQHBKYEKYECH-QFYYESIMSA-N 368.250 3.055 0 1 FGAF CCCCCCC(=O)NCc1ccccc1OC[C@H](O)CNC(C)C 169336738 JWGQBWLZVBOIJR-GOSISDBHSA-N 350.503 3.011 0 1 FGAF Oc1ccc2c(c1)[C@]1(NCC2)C(N2CCOCC2)=CSc2ccccc21 963340777 ICFRNMONKULAQY-NRFANRHFSA-N 366.486 3.061 0 1 FGAF CC(C)N1C(=O)[C@]2(NC(=O)c3c(sc4c3CCCC4)N2)c2ccccc21 1772611764 XINIJVIHFFGQQN-FQEVSTJZSA-N 367.474 3.390 0 1 FGAF Cn1ncc2c(N[C@H]3CCCC[C@@H]3O)nc(Nc3ccc(F)c(F)c3)nc21 1772621914 FAEFJAXVWIDYCQ-GJZGRUSLSA-N 374.395 3.101 0 1 FGAF COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC 14645384 IECRXMSGDFIOEY-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF endogenous,in-man CCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O 14965091 JGGAEBBDBSPMTR-UHFFFAOYSA-N 367.398 3.286 0 1 FGAF CCCCCCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O 169712817 KBRFEDHDQRSFKB-UHFFFAOYSA-N 358.847 3.083 0 1 FGAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(N(C)C)cc1 169730650 RQOPXBIRFGKNKT-ROUUACIJSA-N 354.406 3.139 0 1 FGAF Nc1nc(N)c2c3c(oc2n1)CN(Cc1c(Cl)cccc1Cl)CC3 29207837 NASYGORLJXOZGP-UHFFFAOYSA-N 364.236 3.252 0 1 FGAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cncnc3)cs2)cc1 61926875 OKVIWUNLKOXTAM-SFHVURJKSA-N 354.435 3.008 0 3 FGAF CCCC(C)(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc(OC)c(OC)c1 61906431 WDJUZNIUHWJBOZ-HXUWFJFHSA-N 362.470 3.460 0 3 FGAF COc1ccc([C@H](O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 28524339 BFMVLFRBLSHGFU-RBUKOAKNSA-N 357.450 3.365 0 1 FGAF COc1cc(C(=O)[C@H]2COC(C)(C)c3cc(O)c(OC)cc32)ccc1O 2356680827 VXHNARHHEYGPIT-ZDUSSCGKSA-N 358.390 3.347 0 1 FGAF COc1ccc(-n2c(SCCO)nc3sc(C)c(C)c3c2=O)cc1 28949130 MVMNRMQIGPGPQC-UHFFFAOYSA-N 362.476 3.157 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)CC=C(CO)C[C@@H](OC(=O)c3ccc(O)cc3)[C@H]21 6020296 FPUSCWGZFFIOSW-KRXUUXHPSA-N 374.477 3.434 0 1 FGAF biogenic CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1 39277809 XRJAKERBMMBUGR-UHFFFAOYSA-N 360.468 3.025 0 1 FGAF in-vivo O=C(c1cc2ccc(O)cc2[nH]1)N1CCC([C@H](O)c2ccccc2)CC1 36294501 SWVYCQUYJGMYRI-HXUWFJFHSA-N 350.418 3.459 0 1 FGAF COCCCCCCC/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O 45355877 NSOLGCWVMPGQSG-MBNYPGIVSA-N 370.486 3.167 0 1 FGAF COc1cc(/C=C2\C(=O)Nc3ccc(N(C)C)cc32)cc(OC)c1OC 96923441 IRUNVMJSHKQLGI-NVNXTCNLSA-N 354.406 3.271 0 1 FGAF CCOC(=O)c1c2nc(N)c3ccccc3c2nn1-c1ccc(OC)cc1 95588205 WKFQWZLDJUOMOC-UHFFFAOYSA-N 362.389 3.341 0 1 FGAF CCOC(=O)Cc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587117546 DEVRSHYQRPOPKM-UHFFFAOYSA-N 366.343 3.127 0 1 FGAF COc1nccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587126572 YMUBOVREGYMGHT-XVKPBYJWSA-N 352.320 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587426096 KRRUXGAJOPQEDZ-YWZLYKJASA-N 374.339 3.179 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(F)cc2)N1 587729694 CTOOGYPSYDDJQF-DYZYQPBXSA-N 368.221 3.497 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1 586941898 XXIMHMSOJLZGNH-HJWRWDBZSA-N 363.389 3.240 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccnn3c2)N1 587790525 CKDCFXBMVFTLIX-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF O=C(c1ccncc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655920 IBVDUIGOKNIXDH-UHFFFAOYSA-N 363.323 3.425 0 1 FGAF CC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184030 AXBREXNNPLNZTB-UHFFFAOYSA-N 363.158 3.432 0 1 FGAF CCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593672 MPHDWKZAXSVQDW-FXAWDEMLSA-N 356.374 3.456 0 1 FGAF O=C1CCC(c2ccccc2)(c2nc3c(S)nc(S)nc3[nH]2)CC1 586877978 ZJHHKOQKHHKXDR-UHFFFAOYSA-N 356.476 3.360 0 1 FGAF CCCCC[C@H]1[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 169622196 MZYZWZXTHYCVHQ-GTXDYMSZSA-N 354.487 3.043 0 1 FGAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2cnc[nH]2)CC1 201783919 OWUKITXDOLAVPP-UHFFFAOYSA-N 368.462 3.040 0 1 FGAF COC[C@H]1SC(N)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C3CC3)C[C@@H]12 209346082 VDVXUIFRNRFJLH-AAJLLMFJSA-N 368.449 3.052 0 1 FGAF COc1ccc(Cc2cn(CCNC(=O)Nc3ccccc3C)nn2)cc1 1857558841 QFWKLDAYSKUFGR-UHFFFAOYSA-N 365.437 3.008 0 1 FGAF C[C@@H](N=c1nc(-c2cccc(C(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857655946 OHIIKMKNLSEDJI-GHMZBOCLSA-N 374.439 3.136 0 1 FGAF CC(C)Oc1cc(N2CCOCC2)nc2c(-c3cccnc3)nccc12 1911576535 XGHLYIMKXRENKF-UHFFFAOYSA-N 350.422 3.316 0 1 FGAF CN1CC[C@]2(c3cccc(O)c3)C[C@H](NC(=O)Cc3ccccc3)C[C@H]1C2 29322428 IRLRCXSDYSNISD-QTEQDKRBSA-N 364.489 3.246 0 1 FGAF COc1cc([C@@H]2OC[C@@]3(O)[C@H]2CO[C@@H]3c2ccc(C)c(C)c2)ccc1O 2356423627 IFLMVBKWPMANPM-VRXWPRPYSA-N 356.418 3.208 0 1 FGAF CC(=O)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]3CC[C@]12C 2356431225 HPRROXHWAYOSLI-BJGWUSBGSA-N 350.499 3.293 0 1 FGAF O=[N+]([O-])OCCCNCCCCNc1c2c(nc3ccccc13)CCCC2 29135843 NJRCJWGDCROWEJ-UHFFFAOYSA-N 372.469 3.494 0 1 FGAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccccc1Cl 28521207 DCWVTQXYOUYCTH-UHFFFAOYSA-N 360.822 3.350 0 1 FGAF COc1cc(C(=O)O)ccc1NC(=O)c1cnc2c(n1)C(C)(C)CC2(C)C 26820980 NMKMDAGQIDMFGP-UHFFFAOYSA-N 369.421 3.395 0 1 FGAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@@H](O)CC=C[C@@H]1CC=CC(=O)O1 2356575785 BEDZJNMPIDRDAK-XUVXKRRUSA-N 356.418 3.201 0 1 FGAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@]2(O)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 2356750996 GSBOBEMEYQTIDQ-MZNSPUEUSA-N 362.510 3.294 0 1 FGAF O=C(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009894 FFJCCJAORONDKA-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CC(C)Oc1ccc([C@](O)(c2cccnc2)c2cccc(C(N)=O)c2)cc1 72102383 VNTCWLSRCGVGKB-JOCHJYFZSA-N 362.429 3.252 0 1 FGAF Nc1ncnc2c1C(=O)N(c1ccc(-c3c(F)cccc3F)cc1)CCO2 72317386 ZLCNDVRYDBVYLO-UHFFFAOYSA-N 368.343 3.043 0 1 FGAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)C[C@H]12 74377507 BKHQPSUGKWGDDU-FUHWJXTLSA-N 366.465 3.130 0 3 FGAF Fc1ccc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 40763383 YIVMAIFNLAOVEO-UHFFFAOYSA-N 365.334 3.442 0 1 FGAF O=C1[C@@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCc1ccccc1 40979807 QJEACQHAHYCTJN-IAGOWNOFSA-N 370.250 3.398 0 1 FGAF Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl 142282044 RPBSVJAEONHHQK-UHFFFAOYSA-N 358.829 3.184 0 1 FGAF COc1cc(-c2oc3ccc4[nH]cc5c4c3c2C(=O)NCC5=O)ccc1O 238788584 ORXXENZSODPNSX-UHFFFAOYSA-N 362.341 3.221 0 1 FGAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427502 PYVUTNWZSKSKNN-APWZRJJASA-N 371.440 3.170 0 1 FGAF biogenic COC(=O)c1c(O)cc2c(c1C)Oc1cc(O)c(Cl)c(C)c1C(=O)O2 85996180 WVDLPXKUDQYIEY-UHFFFAOYSA-N 364.737 3.480 0 1 FGAF biogenic COc1cc2cnnc(N3C[C@H](c4ccccc4)C[C@@H](O)C3)c2cc1OC 474602081 AFWWBLFDSTUDIV-IAGOWNOFSA-N 365.433 3.002 0 1 FGAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1 473104949 QNWKNVOTSJCZBO-GFCCVEGCSA-N 356.476 3.397 0 1 FGAF CCCOc1cccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587779371 ZXMGABAXBOIRNP-UHFFFAOYSA-N 373.478 3.193 0 1 FGAF O=C(CCc1nc2cncc(Br)c2[nH]1)Nc1cccc(F)c1 587163649 TUAHROPPSZDECQ-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF C=CN1CCCC[C@@H]([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587445985 ZTAVRPLOSJXRLT-DRSNIGMVSA-N 367.445 3.364 0 1 FGAF COc1ccc2c(c1)[C@](CN1CCNCC1)(C(C)(C)C)N(C(C)C)CC2 962095613 ZHJFEWQJKBHNQL-JOCHJYFZSA-N 359.558 3.108 0 1 FGAF CCOC(=O)[C@@H](C1CCCC1)[C@@]1(C)c2ccsc2CCN1C(N)=O 962709474 QTPODBSNZRVZMT-CRAIPNDOSA-N 350.484 3.270 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3c(Cl)[nH]c(C=O)c3Cl)c3cccc1c32 963036732 VBMQEZILTNGKDC-ZKANADHPSA-N 364.232 3.277 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962718120 RKCCRZUBFBGONC-UZLBHIALSA-N 362.514 3.417 0 1 FGAF CCCCC[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 13339606 MZYZWZXTHYCVHQ-LFQRMHLBSA-N 354.487 3.043 0 1 FGAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2cccc(OC)c2)c1)C(=O)O 13525352 WCUNHWIFTCFEPT-INIZCTEOSA-N 371.433 3.287 0 1 FGAF Cn1c(=O)sc2cc(CCN3CCN(c4ccc(F)cc4)CC3)ccc21 13779682 CGHICUOGCBNVLX-UHFFFAOYSA-N 371.481 3.104 0 1 FGAF COc1cccc2c1[C@]13CCN(CC4CC4)[C@@H](C2)[C@@]1(OC)CCC(=O)C3 169692846 INUCRGMCKDQKNA-NNWRFLSQSA-N 355.478 3.112 0 1 FGAF CC(=O)Nc1cccc(/C=C\C(=O)N2CCC(N3CCCCC3)CC2)c1 206910471 XARBEKGYQTYNTA-HJWRWDBZSA-N 355.482 3.135 0 1 FGAF COc1ccc(Cc2cn(CCNC(=O)Nc3cccc(C)c3)nn2)cc1 1857619924 DOKXCUYOZYJJFG-UHFFFAOYSA-N 365.437 3.008 0 1 FGAF CCCCCCN(CCO)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 2499678 SCUHPKRZTMWWCD-UHFFFAOYSA-N 366.465 3.364 0 1 FGAF O=C(NC[C@H]1CCCO1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911575986 YCJXPCGLNOBEQG-GFCCVEGCSA-N 357.360 3.417 0 1 FGAF Cc1cc(=O)[nH]c(SCCOc2ccc(C(=O)c3ccccc3)cc2)n1 9669155 OBHNLYMWNIWVRX-UHFFFAOYSA-N 366.442 3.480 0 1 FGAF CCCCCNc1nc(NCc2ccccc2)c2ncn(CC(=O)O)c2n1 66100314 HKKLAYUXWSNEDC-UHFFFAOYSA-N 368.441 3.125 0 1 FGAF Cc1c(NCc2nnc(-c3cccs3)o2)c(=O)n(-c2ccccc2)n1C 73163491 JCFUHOOEXQSJMT-UHFFFAOYSA-N 367.434 3.208 0 1 FGAF COC(=O)c1cn(Cc2coc(-c3ccc(Br)cc3)n2)cn1 72184942 SNAVSFAQEDUVPM-UHFFFAOYSA-N 362.183 3.136 0 1 FGAF CCCCNc1nc(N2CCCN(C)CC2)nc2cc(OC)c(OC)cc12 82129975 LKDLFLVLRIYABC-UHFFFAOYSA-N 373.501 3.001 0 1 FGAF Cc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2Cc2ccccc2)cc1 199214108 YPYUKXORWMUTGX-NRFANRHFSA-N 361.449 3.068 0 3 FGAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(OC)c2)C1=S 95872343 PRXVVMKRVWHQIB-UHFFFAOYSA-N 362.451 3.488 0 1 FGAF Cc1nnc(CO)n1-c1ccc(Cl)cc1[C@@H](N)c1ccccc1Cl 148889352 RDCGAQFBSIWMKO-KRWDZBQOSA-N 363.248 3.423 0 1 FGAF CCCc1cnc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)nc1 149632559 DGCHXKKTGPFKCS-OAHLLOKOSA-N 352.482 3.100 0 1 FGAF Fc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1 96168815 XCYKANGQZUIGHY-UHFFFAOYSA-N 373.391 3.494 0 1 FGAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)n1 261176581 UZHXGTFGWPKPAD-CALCHBBNSA-N 371.460 3.143 0 1 FGAF Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(Cc3ncc[nH]3)C2)n1 299851513 IOKTZCLBYJINNP-CQSZACIVSA-N 352.417 3.380 0 1 FGAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(CN3CCOCC3)ccc2[nH]1 587071162 XAVKARXNQSNKJJ-UHFFFAOYSA-N 369.852 3.474 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)n2cncn2)N1 587756866 FYIDJYAAIIBXAR-FCHSOHFDSA-N 353.239 3.190 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nccc(Cl)c2[nH]1 587038266 FXNRONQCALPITI-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF C[C@H](Oc1ccc(F)cc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651118 CXRAMORHUSTFAO-VIFPVBQESA-N 364.735 3.436 0 1 FGAF O=C(c1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 587277026 ZQLHJVNWXNDVSR-UHFFFAOYSA-N 350.143 3.453 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586950769 LRQIIXMLBLEEQA-UHFFFAOYSA-N 373.434 3.151 0 1 FGAF COC(=O)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966437 DNOUKCVDSYJIMK-UHFFFAOYSA-N 367.390 3.087 0 1 FGAF CCn1cc(Br)c(Cc2nc3cc(OC)c(OC)cc3[nH]2)n1 587000003 IXPBHSPPOBRUBB-UHFFFAOYSA-N 365.231 3.150 0 1 FGAF COc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C 587755600 HXNXOSSVCNJSQC-GLEZIHRCSA-N 368.250 3.262 0 1 FGAF O=C1CC=C(c2nc3ccnc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587163934 PCZUZQCVFSBNCF-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 586907762 WQTWASXCXHXHMO-MHWRWJLKSA-N 354.387 3.025 0 1 FGAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)n1 587079364 JCVFBEABGVFDTB-QMMMGPOBSA-N 354.819 3.298 0 1 FGAF COc1c(F)ccc(F)c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587133427 WNKCOVAYLNQHGM-UHFFFAOYSA-N 370.359 3.272 0 1 FGAF C[C@]1(c2ccc(-c3nn[nH]n3)s2)c2c(F)cccc2C[C@@H]2CCCN21 963114138 RWWYTXQMQIJCEI-SGTLLEGYSA-N 355.442 3.351 0 1 FGAF COc1cccc(-c2cn(-c3ccc(C(=O)O)cc3)c3ncnc(N)c23)c1 13538678 UVIMLVOKKVNPHX-UHFFFAOYSA-N 360.373 3.377 0 1 FGAF Nc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)s2)c(N)n1 13981409 YZJCAXNWRNEGKB-UHFFFAOYSA-N 358.398 3.169 0 1 FGAF COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O[C@@H]2CCC[C@@H](C)C2)ccc1O 169687883 GEYUDGOBFPLGGT-DGWLBADLSA-N 374.437 3.364 0 1 FGAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(F)ccc1F)NC(=O)N2 1857759699 YFXPQAVGPYLZAA-AWEZNQCLSA-N 350.321 3.215 0 1 FGAF Nc1cc(O)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)o2)cc1Cl 581976 AWIUQNHZMIVVPC-UHFFFAOYSA-N 371.702 3.453 0 1 FGAF COc1cc2c3c([nH]c2cc1Br)C(=C1NC=C[C@@H]1OC)NC=C3 2356303598 ZJAYQMOYDHZTFO-ZDUSSCGKSA-N 374.238 3.313 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4050124 PYHHITMSNPSEHN-SFNKJDCFSA-N 370.474 3.260 0 1 FGAF O=C(OCC(F)F)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@H]2[C@@H]1O 58475086 ZCNRJTCARJCSHT-NWBNHEMOSA-N 366.404 3.254 0 1 FGAF CO[C@@H]1c2cc(O)ccc2OC[C@H]1[C@H]1COc2ccc(O)cc2[C@@H]1OC 59587309 LYWCCZPPJCEHSB-OBMJPTGESA-N 358.390 3.190 0 1 FGAF biogenic,in-vitro CCNC(=O)c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2 101500830 OENRDPZAKUHRRQ-XZQNEUKRSA-N 374.506 3.335 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2Cl)cc1 1911584363 JLPTYDIQCXFHRJ-UHFFFAOYSA-N 366.826 3.090 0 1 FGAF CCc1c(O)n(-c2ccccc2)c(SCC(=O)c2ccccc2)nc1=O 101713956 CESKCQDWXNDEKV-UHFFFAOYSA-N 366.442 3.476 0 3 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632314 GTPXAZMVRSAQCK-CXAGYDPISA-N 370.449 3.499 0 1 FGAF O=C(CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 100671747 PHTAPNJHQRFXHR-LHAJZYKRSA-N 368.521 3.052 0 1 FGAF O=c1cc(N2CCN(CCOc3ccc(F)cc3)CC2)c2ccccc2o1 103271665 LZGDHSFZDIDWMM-UHFFFAOYSA-N 368.408 3.133 0 1 FGAF COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 103237518 SKJONSWSIFDKAN-MUJYYYPQSA-N 358.413 3.353 0 1 FGAF CCCN(CCCNC(=O)N(CC)CC)[C@@H]1CCc2c(O)cccc2C1 28001076 INWFLAIMSLJNHI-GOSISDBHSA-N 361.530 3.403 0 1 FGAF O=C(O)CC[C@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648190 RACKESAPXGJXEQ-YJBOKZPZSA-N 367.449 3.425 0 1 FGAF CCOc1cccc([C@@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65432045 PWCJTHVEIBHOLJ-HNNXBMFYSA-N 357.479 3.294 0 1 FGAF CCc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1C 26482533 JXCXAVJWSVRLGZ-UHFFFAOYSA-N 359.245 3.417 0 1 FGAF Fc1cc(F)cc(-c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)c1 64513636 WWMIIVORPKUHDW-HNNXBMFYSA-N 365.387 3.419 0 1 FGAF C[C@]1(C(=O)Nc2ccccc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61925711 AJGHZWZZQWUAOJ-JOCHJYFZSA-N 373.412 3.180 0 3 FGAF C[C@@]1(O)C(=O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936956 OCPGSVYCKLXPSO-JGRWLLATSA-N 362.510 3.293 0 1 FGAF endogenous,in-man C[C@H](Cc1cc2c(cc1O)OCO2)[C@@H](C)[C@@H](O)c1ccc2c(c1)OCO2 2356611173 MUMFFBHTQFUOMR-FKANQGBASA-N 358.390 3.398 0 1 FGAF COC[C@]1(OC)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@@H](O)[C@H]2C 2356826216 HWCZSAJXKSHKFY-JAKJOAQHSA-N 364.526 3.479 0 1 FGAF O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1cccc(F)c1 34600201 AONPADBRNRGNEX-UHFFFAOYSA-N 350.349 3.184 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)CC=C(CO)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 6020298 FPUSCWGZFFIOSW-YUVXSKOASA-N 374.477 3.434 0 1 FGAF biogenic CN1O[C@@](C)(CC(=O)Nc2cccc(O)c2)N=C1c1cccc(Cl)c1 74374410 OACBHJKPZXOJKS-SFHVURJKSA-N 359.813 3.414 0 3 FGAF CC(=O)Oc1cc(Br)cc(Br)c1OC(C)=O 13449735 DDCZVHQWRJPBIV-UHFFFAOYSA-N 351.978 3.062 0 1 FGAF biogenic COCCn1c(-c2cccnc2)nc2c(NCc3ccccc3C)ncnc21 82180221 FGDYPKPXVJEUHF-UHFFFAOYSA-N 374.448 3.455 0 1 FGAF Cc1ccc2c(c1)CCN(C(=O)CNCC1(O)CCCCC1)[C@@H]2C(C)C 140424884 LIMNASSKJSCEKR-OAQYLSRUSA-N 358.526 3.362 0 1 FGAF Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC2CC2)cn1 142561326 OIESNVCCCLZHJE-UHFFFAOYSA-N 364.405 3.159 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@]2(C)CC[C@H]2O[C@]2(C)CC[C@H]1C(C)(C)O 238762384 RWOFDISHDBCLMX-SQTPCDFRSA-N 352.471 3.141 0 1 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(O)c(OC)c1)CC2=O 98083394 AVQDNAMMGLOZKM-CYBMUJFWSA-N 360.362 3.133 0 1 FGAF CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)OC)C[C@@H]21 238740940 ILBOWKBQZSFVCD-CTFRUWLJSA-N 364.482 3.273 0 1 FGAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2ccc(F)cc2n1O 377829983 HKQJWAARQUMCQZ-UHFFFAOYSA-N 353.251 3.182 0 1 FGAF CCOc1nccc(C)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473170654 FZMWFGXVRUFCCE-IKGGRYGDSA-N 367.449 3.256 0 1 FGAF CCSC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c21 473090717 ADSZYPRONJHYEK-LBPRGKRZSA-N 361.858 3.239 0 1 FGAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587950435 BKQFHYARPDLHDF-UHFFFAOYSA-N 371.462 3.412 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCCO)c(C)c1)[C@@H](C2)C3=O 587439639 BYPRIAHERWIDMX-KKSFZXQISA-N 354.402 3.172 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)OC(C)(C)C)(C1=COCCC1)[C@@H](C2)C3=O 587450274 FLGAMMUUNMJHST-BTYIYWSLSA-N 372.417 3.217 0 1 FGAF CC(=O)NC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587739526 AJKDUIIQVBUAAG-ITNLDZRZSA-N 369.278 3.396 0 1 FGAF Fc1cccc(Cn2nnc(-c3nc4cc5c(cc4[nH]3)OCO5)c2Cl)c1 587161739 QNOVAPGZZZBRJJ-UHFFFAOYSA-N 371.759 3.391 0 1 FGAF COC(=O)[C@H](C)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597362 YVQUMPLXAGFVIN-CBLJQSSYSA-N 356.374 3.312 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(O)cc4[nH]3)cc12 587039010 WZBWTAANCALGHT-SECBINFHSA-N 355.423 3.016 0 1 FGAF COC(=O)C1(C)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595274 QUGJOLWSCARJJD-APMMTJHUSA-N 354.358 3.066 0 1 FGAF CCC(=O)C(CC/C=C/CCc1ccc(S(N)(=O)=O)cc1)C(=O)CC 137666295 OEUSFIWGQZUUCC-AATRIKPKSA-N 365.495 3.177 0 1 FGAF CCn1cnc(Cl)c1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759671 CPMPASAWYRVMQI-NWDGAFQWSA-N 357.763 3.292 0 1 FGAF CN1CCc2cn(C)nc2[C@@H]1[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 963954180 HHLWJZILPQYINS-KNBMTAEXSA-N 362.518 3.423 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cccc(-n2ccnn2)c1 963058471 OZQOARGEVLYICT-JOCHJYFZSA-N 371.444 3.233 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc(Cl)s2)N1 963001595 ZKLYKOHKYZDXOU-HQJQHLMTSA-N 365.188 3.416 0 1 FGAF O[C@@H](Cn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1ccccc1 13682917 SFGAMNQLEHIRJT-SFHVURJKSA-N 363.396 3.311 0 1 FGAF CN(C)/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 169319675 CNPFZBDPBTUMKB-VBKFSLOCSA-N 364.836 3.339 0 1 FGAF Nc1ccc(C(=O)N[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169322527 MZNDSEXANLZBBJ-UZLBHIALSA-N 360.461 3.242 0 1 FGAF CC[C@@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729840 INNHEOWFFKWYPN-CZUORRHYSA-N 362.857 3.363 0 1 FGAF COc1cc2onc([C@H]3CCCN3[S@](=O)C(C)(C)C)c2cc1OC 206030084 LMZGVYOQSABWCE-OIRASMEMSA-N 352.456 3.444 0 3 FGAF O=C(O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 167045051 GMRWCGDPKMVQCK-UHFFFAOYSA-N 360.498 3.238 0 1 FGAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccccc2F)C1=O 200051482 CXNGANVMNXWIOS-IBGZPJMESA-N 354.425 3.445 0 3 FGAF COc1ccc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cn1 205221896 HQIXQDRCTNHVFL-SFHVURJKSA-N 374.828 3.112 0 3 FGAF O=C1[C@@H]2C[C@@H]2CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644090 LFXGXBRXYSLKHQ-APHBMKBZSA-N 370.399 3.302 0 1 FGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@H]1c1cn(C)c2ccccc12 2468753 OZTQFMXYOAPQEC-NHCUHLMSSA-N 373.456 3.367 0 1 FGAF CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 3819883 VUWPQSKZGDOIAI-UHFFFAOYSA-N 367.515 3.042 0 1 FGAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@H]2O 58541114 QZIGLSSUDXBTLJ-DUQPFJRNSA-N 352.452 3.085 0 1 FGAF endogenous,world C[C@@H](N)Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 27320256 IMARFWCPUQCSCA-GFCCVEGCSA-N 351.841 3.161 0 1 FGAF CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@@]342 103525006 NCTRVSNQAKOTOR-GBSCFTLHSA-N 353.466 3.124 0 1 FGAF biogenic,in-vitro COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1N1CCOCC1 26725288 GTWYCCHMFNCFDP-YRYLYKBFSA-N 366.461 3.422 0 1 FGAF Cc1ccccc1CN1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356534832 JXLXJXGWGFWPJY-FQEVSTJZSA-N 353.441 3.256 0 1 FGAF COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4C=CN3C[C@H]2CC[C@H]1O 2356811470 BOXAXUDYLAXNBW-SHXNRTNRSA-N 352.434 3.075 0 1 FGAF COCCN(C)C(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987726 OHMRCNZQBXVUFZ-UHFFFAOYSA-N 370.272 3.368 0 1 FGAF COc1cc2c(c(OC)c1O)-c1c(O)c(OC)cc3c1[C@@H](CC2)N(C)CC3 14645565 JCWDQBQBVNMMNK-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic C=CCc1cc2c(cc1O[C@]13C[C@H](CC=C)C(=O)C=C1OCO3)OCO2 13453964 TXLALJSADHIRMA-VBKZILBWSA-N 356.374 3.272 0 1 FGAF biogenic O=C(Nc1cccc(CO)c1)N1CCC(N2CCc3ccc(F)cc32)CC1 218631332 MZCTYGZZHDAKPI-UHFFFAOYSA-N 369.440 3.377 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3noc4ccccc34)CC2)c1 198404145 JGISRXHGRVJHAN-UHFFFAOYSA-N 367.478 3.359 0 1 FGAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCCc1ccccc1 49067095 LIKCXFMZKWEGDK-QFIPXVFZSA-N 351.446 3.396 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069488 GXVPUAQWLGOJFX-MRXNPFEDSA-N 369.465 3.419 0 1 FGAF CC[C@@H](C)Nc1ncc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 149970484 QVHZGOXUQJDNFC-CABCVRRESA-N 367.497 3.488 0 1 FGAF COc1ccc(-c2cnc(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1 95580750 LOLHYMNDXLILFE-UHFFFAOYSA-N 368.389 3.342 0 1 FGAF COc1ncccc1C(=O)Nc1cc(-c2ccc(Br)cc2)[nH]n1 299839591 YVPFDMFRLUVFCW-UHFFFAOYSA-N 373.210 3.495 0 1 FGAF CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21 653783718 LKUSXAFRJQEBAZ-UHFFFAOYSA-N 361.247 3.193 0 1 FGAF CC(C)(C)OC(=O)NCCC[C@@H]1N=C2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)OC1=O 653831345 UOWPVGVOUVDLHG-FTIRYDQDSA-N 364.486 3.482 0 1 FGAF NS(=O)(=O)c1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 653810077 UAGNZJQVLGANQH-OAHLLOKOSA-N 373.459 3.344 0 1 FGAF Cn1cc(-c2ncc(-c3nc4cncc(Br)c4[nH]3)s2)cn1 587022387 YNTIXOCKMUFSPA-UHFFFAOYSA-N 361.228 3.244 0 1 FGAF COCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587760255 OKNQHBKYEKYECH-MGPLVRAMSA-N 368.250 3.055 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587789558 DVEXBAQZHGOAPG-VXJOIVPMSA-N 367.218 3.327 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CC(=O)O)N1 587756216 RMLZXEZNWFBGPU-ABKXIKBNSA-N 367.218 3.098 0 1 FGAF COc1cc(F)ccc1-c1cccc(Cc2nc3cnnc(O)c3[nH]2)c1 587158738 GTZVEZFBZKOEBM-UHFFFAOYSA-N 350.353 3.464 0 1 FGAF COc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1C 586940867 IQFBCORIHQMVQR-CMDGGOBGSA-N 371.462 3.279 0 1 FGAF NS(=O)(=O)Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586930961 XCKAEDQCKLOESF-UHFFFAOYSA-N 356.234 3.325 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(N)=O)c2)N1 587751325 XQYILNHABDKBDY-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1OC 587785753 GAXBEVLTRTYGPD-UHFFFAOYSA-N 354.362 3.221 0 1 FGAF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1SC(F)F 587368464 QJPYHJXEVOQRSS-UHFFFAOYSA-N 351.334 3.426 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 1141277 GWFBIOJMCSLYBK-XMGGNUPJSA-N 358.394 3.066 0 1 FGAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2ccnc12 1772646731 GVUNIJCXLHRUNZ-UHFFFAOYSA-N 367.315 3.447 0 1 FGAF CCCCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C)c1 169317351 UOPNMTWRPJBZNC-SFHVURJKSA-N 365.518 3.435 0 1 FGAF Cc1cn([C@@H]2C=CCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc12 1857564309 JHTBXYQIHWCGPI-OAHLLOKOSA-N 358.463 3.453 0 1 FGAF CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1 1857589891 INCWFWMGLZHBGT-FQEVSTJZSA-N 361.445 3.306 0 1 FGAF CS(=O)(=O)c1nc(-c2cc3cc(Cc4ccccc4)ccc3o2)n[nH]1 1857750675 BORNOIYMKAPVRV-UHFFFAOYSA-N 353.403 3.212 0 1 FGAF Cc1ccc2onc(CNC(=O)N3CCC(N4CCCCC4)CC3)c2c1 6866101 WKIBBHQPSHMWTM-UHFFFAOYSA-N 356.470 3.296 0 1 FGAF COC(=O)c1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 102790388 VKHGAQSPOGAPRV-DEOSSOPVSA-N 367.814 3.059 0 1 FGAF COc1ccccc1N1CCN(CCCCN[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100776648 VACNWTUDQQTSIL-AQNXPRMDSA-N 357.542 3.376 0 1 FGAF CC(=O)[C@@H](Cc1ccccc1NCN1C(=O)CCC1=O)c1ccccc1 27105127 LZJZTNPVGPBVIO-GOSISDBHSA-N 350.418 3.120 0 1 FGAF CC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1cccs1 103205749 NLNZGCBPAUKTMG-GOSISDBHSA-N 355.463 3.282 0 1 FGAF CC(C)(C)OC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)OC(C)(C)C 26376668 NXUAJJVBOPAWIB-FQEVSTJZSA-N 361.438 3.477 0 1 FGAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4ccccn4)c3[C@@H]2C1 116944764 LNDFIOHOUFFVLV-DOMZBBRYSA-N 352.394 3.031 0 1 FGAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1 118882192 HEICYROHWOITJG-CYBMUJFWSA-N 370.840 3.163 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@H]23)cc1O 2356664016 DJHDOMQWAUJNKX-UGCQDJOBSA-N 372.417 3.493 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C2=C(C[C@@H]3CCC[C@H](C(=O)O)[C@@]31C)OC(=O)[C@@H]2C 2356753855 LTLYQGXUQKXVEU-KBFFUZJRSA-N 362.422 3.222 0 1 FGAF Cn1cc(-c2cnn3c(Nc4ccccc4)cc([C@H]4CCCNC4)nc23)cn1 66104490 IMPQUAJLAYEKCN-HNNXBMFYSA-N 373.464 3.340 0 1 FGAF CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C 45498851 HODSROBGYRTOID-UHFFFAOYSA-N 354.410 3.191 0 1 FGAF Cc1ccc2c(N)n[nH]c2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 40954123 YSFCMBCJEASLSU-ZDUSSCGKSA-N 374.448 3.289 0 1 FGAF COc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1OC 82204209 JMRLWEKKLBFODX-GJZGRUSLSA-N 372.469 3.028 0 1 FGAF CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)[C@H]2CCCC[C@H]21 144443703 FPZJORKHWVTQBR-MSOLQXFVSA-N 350.397 3.199 0 1 FGAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)C 95895202 GFFGWWHPUXJGGG-FKBYEOEOSA-N 370.468 3.166 0 1 FGAF CC(C)[C@@H](C(=O)NCc1ccccc1)N1CCN(c2ccccc2F)CC1 95599770 FGTXPCKDGGSMCY-NRFANRHFSA-N 369.484 3.289 0 3 FGAF Cc1coc2ccc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)cc12 653665234 OKVGFFZQQYHZIN-UHFFFAOYSA-N 357.373 3.388 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(OC)c4OC)[C@@H](C2)C3=O 587440532 BSQTUEXTHAGKDZ-YCRPNKLZSA-N 352.386 3.302 0 1 FGAF C[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1cc(Cl)cn1 587079100 HFXQCLFOALRCNV-ZCFIWIBFSA-N 369.606 3.483 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587787360 OKVGEPZHEZVOHT-LJQANCHMSA-N 352.394 3.419 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587194311 CQZRSJQAMJPXSW-UHFFFAOYSA-N 372.301 3.443 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(=O)N(C)C)[C@@H](C2)C3=O 587428543 JSOTUORHNJWWTI-LIRRHRJNSA-N 353.374 3.244 0 1 FGAF COC(=O)c1cc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2cc1OC 587089205 ZUNGPJZJOYCAIF-SECBINFHSA-N 351.353 3.108 0 1 FGAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432822 LVPYZYIVSSHGKA-MPBGBICISA-N 371.389 3.018 0 1 FGAF CC1(C)COC(=O)[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961386 RSHZZLNMQSTRMR-GOSISDBHSA-N 369.383 3.135 0 1 FGAF Cc1cccc(OCCOc2nc3ccccc3nc2CCC(=O)O)c1 1772587495 GXKFVYJFLPNQSQ-UHFFFAOYSA-N 352.390 3.413 0 1 FGAF O=C(Nc1ccccc1I)OCCCc1c[nH]cn1 13747340 YUXJXDWPSOOOBN-UHFFFAOYSA-N 371.178 3.196 0 1 FGAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1cccc(F)c1 15937247 MQHADVQHUYFNOD-SFHVURJKSA-N 355.475 3.327 0 3 FGAF CC(C)[C@H](CO)NCc1ccc(F)c(-c2ccc(C(F)(F)F)nc2)n1 204417374 OGFOFDKSNBPYCS-AWEZNQCLSA-N 357.351 3.408 0 1 FGAF CN(C)CCNc1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12 205635769 VPRHNMIIUQGIFU-UHFFFAOYSA-N 370.478 3.009 0 1 FGAF C[C@@H]1Cc2c(Cl)cc(CN[C@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 2356420303 VYLQGYLYRQKMFU-KZULUSFZSA-N 373.836 3.227 0 1 FGAF S=C(NCc1ccco1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 4886078 AJOICXJHYCHWDK-AYHJJNSGSA-N 355.507 3.439 0 1 FGAF C[C@@H](C(=O)NCc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 103200939 JZKPFZNWHKYLLF-AWEZNQCLSA-N 358.397 3.141 0 1 FGAF C[C@@H](CC1=N[C@H]2[C@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330044 JPHHGFNKNXDZSD-MWODSPESSA-N 358.751 3.205 0 1 FGAF CC=C1C(=O)NC=C(C(=O)OC)[C@H]1Cc1nccc2c1[nH]c1ccccc12 2356426075 OVCQNYKEUACHQG-HNNXBMFYSA-N 361.401 3.008 0 1 FGAF N#Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117587587 BCOFGAOMHADTSB-UHFFFAOYSA-N 350.422 3.069 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@H]1C[C@H]1c1ccccc1)N1CCCC1 26482067 OPGLCXSPDRPQFL-PWKSQPCKSA-N 352.478 3.182 0 1 FGAF COC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1 28635301 UNOGZCNQPVUIQG-REWPJTCUSA-N 365.473 3.101 0 1 FGAF C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(C)CC1 22460587 NZBULCWDIOCSSQ-QAPCUYQASA-N 358.511 3.247 0 3 FGAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNCC(C)C)O3)no2)cc1 2356730480 KHZRTVWGONVOET-ZVDOUQERSA-N 374.481 3.047 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(F)cc1F)C2 219337133 XGVCCPVLVHTHEJ-SNVBAGLBSA-N 369.375 3.040 0 1 FGAF CCn1c(-c2cccs2)cs/c1=N/c1ccc(S(N)(=O)=O)cc1 1911578026 WQBMRQRHAISHHK-BMRADRMJSA-N 365.505 3.178 0 1 FGAF CC(C)C(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103455 HINMXWWJEWHULN-SFHVURJKSA-N 358.873 3.020 0 1 FGAF COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 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Nc1ccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)cc1 587945237 MDNDQRQNOGVECX-UHFFFAOYSA-N 369.400 3.057 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(C)c(O)n1 587860622 ZPNFPDMDVKDXJD-UHFFFAOYSA-N 366.208 3.444 0 1 FGAF COc1cc2c3c(c1)O[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587437994 MTKCIJKGUAWQGB-HNAYVOBHSA-N 373.449 3.458 0 1 FGAF CCOC(=O)N1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587766689 HJOLKDIQBGWXEV-QLJPJBMISA-N 371.250 3.180 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@@]12NCC(C)(C)c1ccc3c(c12)OCO3 963389604 CIGBNNMPOPGNNG-ZQWRNJAYSA-N 357.450 3.267 0 1 FGAF CC(=O)Oc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962712988 OXCGIHXZSIAEAZ-IAGOWNOFSA-N 363.335 3.347 0 1 FGAF O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)C1CCCCC1 145065985 OTXFTSZZTMLEKQ-UHFFFAOYSA-N 370.501 3.221 0 1 FGAF C[S@@](=N)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772600109 LHRXBZPJRMGOAL-AREMUKBSSA-N 367.434 3.014 0 1 FGAF O=C(CNCCc1cccc(OCCCC(F)(F)F)c1)N1CCCC1 1772623336 MMRFYCNAORWSRA-UHFFFAOYSA-N 358.404 3.162 0 1 FGAF C[C@H](C(=O)O)c1cc(/C=C/S(C)(=O)=O)cc(C(=O)c2ccccc2)c1 13438147 CXQJRDQDYLVXEL-XEHSLEBBSA-N 358.415 3.121 0 1 FGAF CCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 13864522 CLXCAWNZTWUVTF-UHFFFAOYSA-N 370.478 3.450 0 1 FGAF COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1 205877120 CXOCKRSHTSXQBE-UHFFFAOYSA-N 373.884 3.348 0 1 FGAF CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1 1857616997 AIZXNUYEAGTAHS-UHFFFAOYSA-N 371.440 3.217 0 1 FGAF CN1CCC(c2ccc(N=c3[nH]c4ccccc4nc3C(=O)O)cc2)CC1 1857633462 MEDXDZGINQLITK-UHFFFAOYSA-N 362.433 3.303 0 1 FGAF NC(=O)c1cc2ccc(OC(F)F)cc2n1-c1cccc(CCC(=O)O)c1 1857749554 GJXCXKAZYFHUTR-UHFFFAOYSA-N 374.343 3.348 0 1 FGAF Cc1cc(O)ccc1[C@H](O)[C@@H](C)N1CCC(O)(c2ccc(F)cc2)CC1 28952035 VCXGYXJYTWDMJS-FOIQADDNSA-N 359.441 3.245 0 1 FGAF COc1ccc(-n2c([S@@](C)=O)nc3sc4c(c3c2=O)CCCC4)cc1 28948812 JTICVMLNMSIUIE-VWLOTQADSA-N 374.487 3.072 0 1 FGAF COc1ccc([C@@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@H](OC)[C@@H]2O)cc1 2356654469 XMSAJBBKVHIWMR-UXPWSPDFSA-N 360.406 3.208 0 1 FGAF CC(C)(C)n1nc(Oc2cc(C(F)(F)F)ccn2)c2c(N)ncnc21 1911576776 KZZQVMYZUAKDCG-UHFFFAOYSA-N 352.320 3.370 0 1 FGAF CC(=O)O[C@@H]1C(=O)C[C@@]2(C)[C@@H](CC[C@@]3(C)c4cocc4CC[C@@H]32)[C@@]1(C)CO 36471573 RXAHIJGRSQAORT-SPZHGEQOSA-N 374.477 3.419 0 1 FGAF CCCCCc1nc2c3c(cc(F)c2n1C)c(=O)c(C(=O)NC)cn3CC 40937187 NNLJDXLTLZXASC-UHFFFAOYSA-N 372.444 3.140 0 1 FGAF O=C(C1CCCC1)N1CC2(CCN(C3COC3)CC2)Cc2ccccc21 299850247 SYLLSZOGSKURKX-UHFFFAOYSA-N 354.494 3.247 0 1 FGAF C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@H]3CCOc4ccccc43)c2N1 653857961 ORMYMARBHUUXAQ-DOMZBBRYSA-N 351.406 3.083 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Oc1ccccc12 587606493 DHFUDXMIQYMPKW-UWJYYQICSA-N 360.321 3.168 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086621 BEHIOBPRPZEYJJ-UHFFFAOYSA-N 356.798 3.125 0 1 FGAF COc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587233899 FTSJJYFQYMLGAV-UHFFFAOYSA-N 359.426 3.435 0 1 FGAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1 587776187 BPRSJERKBBNTTL-QFYYESIMSA-N 350.235 3.484 0 1 FGAF COCC1(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCC1 587923793 OUCJDYOZTRUSNJ-UHFFFAOYSA-N 352.481 3.250 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCN(C)N=O)(c1cccnc1)O2 587387638 QVDTZQZGSDMFIM-IBGZPJMESA-N 354.410 3.226 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cnc2[nH]1 586921480 AMSPPIFMKWVNKL-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF COc1cc(C2(c3nc4ccc(S(C)(=O)=O)cc4[nH]3)CC2)ccc1C 587926485 HSMILKKIAGUEPC-UHFFFAOYSA-N 356.447 3.363 0 1 FGAF C[C@]1(CCn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581493 LMNRRMFZRZTTFB-YLJYHZDGSA-N 350.374 3.399 0 1 FGAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1cnn(C)c1)[C@@H](C2)C3=O 587427105 GXGOXCHDJLGMGS-LAUBAEHRSA-N 364.376 3.259 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587259178 HNNYISCMCGHHLR-ZDUSSCGKSA-N 373.844 3.318 0 1 FGAF CC(=O)Nc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1F 169351830 SEXKBSNZOPBEDM-UHFFFAOYSA-N 353.397 3.477 0 1 FGAF COc1cc(-c2cnc3c(N4CCOC[C@H]4C)snc3c2)ccc1N 1857634267 GJLUDXYDEJXFQH-LLVKDONJSA-N 356.451 3.174 0 1 FGAF 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355.390 3.164 0 1 FGAF Cc1cncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587117184 AWHPVLGOUJMZJX-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(=N)[nH]2)N1 587856697 YWWDXOVEXJTSMC-NXSYQRQQSA-N 356.264 3.255 0 1 FGAF Fc1ncc(Br)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587177932 HNWMHUZAKUNDIF-UHFFFAOYSA-N 362.084 3.287 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(O)c2)N1 587771515 MCVCGMXBZQNAAA-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF COc1cc(OC)c2[nH]c(CCNC(=O)OCc3ccccc3)nc2c1 587228477 QHJKNRGOVFNOHP-UHFFFAOYSA-N 355.394 3.049 0 1 FGAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440266 FSIYXKGJEVYRHR-XFQXTVEOSA-N 352.386 3.158 0 1 FGAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(CC(=O)O)cc1)N(C)[C@H](C)C2 962628774 QFSVPHAXWSSCBV-JLCFBVMHSA-N 369.461 3.471 0 1 FGAF COc1cc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)ccn1 963086561 AFNBJEFLUPWGDC-KKSFZXQISA-N 370.424 3.358 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2nc3ccccc3n2C2CC2)N1 962901953 UTIYJMIAHHSXTN-YJBOKZPZSA-N 351.381 3.199 0 1 FGAF O=C1/C(=C/c2ccco2)N=C(N2CCOCC2)N1c1cccc(Cl)c1 1016290 BMJILRAJUIZERW-VBKFSLOCSA-N 357.797 3.009 0 1 FGAF CN(C)[C@H]1CC[C@H](N(C)c2ncnc3[nH]cc(C4CCOCC4)c23)CC1 1772599994 CZFHBZFDFYPOFD-WKILWMFISA-N 357.502 3.161 0 1 FGAF Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1Cc2ccccc2C1 1772580087 WKIQPNUHFIPTAA-UHFFFAOYSA-N 361.380 3.260 0 1 FGAF CC(C)(C)NC(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1 11873323 ZPAXWGKHPLLJOG-UHFFFAOYSA-N 352.438 3.200 0 1 FGAF COc1cc([C@H]2CC(c3cccs3)=Nc3ncnn32)cc(OC)c1OC 13121781 PFUOQQITFFTFLX-CYBMUJFWSA-N 370.434 3.479 0 1 FGAF COc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)CC1=O 205767112 PDOJSZSTQHXRET-LBPRGKRZSA-N 360.360 3.273 0 1 FGAF CC(C)CSc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1 207741082 YOQMNGPKORZOQG-INIZCTEOSA-N 363.527 3.337 0 1 FGAF Cc1c(C(=O)N2[C@@H](C)CCC[C@H]2C)cnn1-c1nc(O)c2sccc2n1 1857577341 XHLDPWKEHWUCBZ-PHIMTYICSA-N 371.466 3.294 0 1 FGAF O=C(Cc1ccc2cc[nH]c2c1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857641130 INSJIVSXEZBVFI-UHFFFAOYSA-N 366.371 3.294 0 1 FGAF CCOC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)cc1 1642272 IKPWCHIYGLJNMQ-UHFFFAOYSA-N 367.405 3.436 0 1 FGAF O=S(=O)(NCc1cccnc1)c1ccc2[nH]c(-c3ccccc3)nc2c1 3911241 UHVCFDZKHAGPLY-UHFFFAOYSA-N 364.430 3.103 0 1 FGAF CCO[C@H]1C[C@@]2(CC)CCCN3CCC(=O)c4ccccc4N1C(=O)[C@H]32 2356412610 VSONJQXJDWRLPF-IRFCIJBXSA-N 356.466 3.233 0 1 FGAF CCOCCCNC(=O)Cc1ccc(-n2c(CC)nc3cccnc32)cc1 6900933 SLMXAWAOJIAVIK-UHFFFAOYSA-N 366.465 3.068 0 3 FGAF COc1ccc2nc([C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 51076788 YXFJSQFHWDDYCH-CQSZACIVSA-N 351.406 3.290 0 1 FGAF biogenic COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@H]4[C@@H](C2)N(C)CC[C@]314 29464939 ISCBIDVJEHJCIE-DXJMHBRLSA-N 355.478 3.206 0 1 FGAF Cc1ccc(NC(=S)O[C@H](C)CN2C(=O)c3ccccc3C2=O)cc1 28521786 FMUURKRDIRULEA-CYBMUJFWSA-N 354.431 3.393 0 1 FGAF COc1cccc2nc(C[C@@H]3CN(CC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356302671 LXHOMEONGIBPHH-HUUCEWRRSA-N 359.470 3.183 0 1 FGAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C 2356667438 MDJQZPYACFNHLR-UHKZQNDXSA-N 362.510 3.460 0 1 FGAF CO[C@H]1Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2C(C)(C)[C@@H]1O 13459663 VOVTXFRZQXJNOQ-UXHICEINSA-N 368.385 3.169 0 1 FGAF biogenic CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](CCCC(=O)O)[C@@H](O)C[C@H]1O 137307991 ZOCFIYOANZRNDX-GSMXCAORSA-N 354.487 3.043 0 1 FGAF CC(C)N1C[C@]2(CCCN(Cc3noc(C4CCCC4)n3)C2)CCC1=O 82145914 LVXBVSDSGQGDFC-HXUWFJFHSA-N 360.502 3.340 0 1 FGAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCOC 82180975 SOTCMCKIVJIOFR-UHFFFAOYSA-N 357.433 3.219 0 1 FGAF COc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)n2N)c1 96906216 HKRQCPHIHSDGCE-UHFFFAOYSA-N 351.435 3.441 0 1 FGAF Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(F)cc21 95602430 HKBLCHGSYCZHEJ-UHFFFAOYSA-N 366.400 3.179 0 1 FGAF O=C(O)CCCOc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 473110971 YTUMVERMPRHIGK-UHFFFAOYSA-N 356.330 3.115 0 1 FGAF Oc1cccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 653846336 XUTBQCWZDDWADF-UHFFFAOYSA-N 354.373 3.031 0 1 FGAF Cc1ccncc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C 653833449 USJNLXZBDWJOFU-UHFFFAOYSA-N 367.434 3.082 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cnccn23)N1 587773054 HOBNJMDKMFKAFA-JDNHERCYSA-N 361.218 3.255 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]13)O2 587400071 OVNORJYBMVENQJ-XJKCOSOUSA-N 358.438 3.024 0 1 FGAF COCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585932 IQWYABQCHATVDS-PXNSSMCTSA-N 364.357 3.032 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(CCO)cc2[nH]1 586973962 SMDKLIMEDBNDLE-LJQANCHMSA-N 369.490 3.208 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586963033 XAZQPKBLKCRFPT-GSVOUGTGSA-N 359.308 3.050 0 1 FGAF Nc1cnc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)nc1 587252872 QUTUTQJESOKGAE-UHFFFAOYSA-N 374.120 3.263 0 1 FGAF CCN(C(C)=O)c1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cs1 587451990 PQWIDPLQDGHJDD-SJKOYZFVSA-N 358.419 3.013 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(Cn1ccc(C(F)(F)F)n1)[C@@H](C2)C3=O 587423107 QWTHEDCXSYPEMR-MEDUHNTESA-N 352.312 3.117 0 1 FGAF COc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587775942 VDAMVSNYKGSPHH-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3cnc(Cl)[nH]c-3n2)cc1 586969983 DOTDKJNFEIGTLK-UHFFFAOYSA-N 361.858 3.181 0 1 FGAF N=c1[nH]ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001028 KMOYKSLCNIZXLF-OWOJBTEDSA-N 373.210 3.075 0 1 FGAF COc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1C 587127080 LSCDXHWZKQDWNN-UHFFFAOYSA-N 371.340 3.235 0 1 FGAF O=c1cc(Cl)nc2n1C=CC[C@@]21NCCc2c(Cl)cc(Cl)cc21 963110826 QHRHQJPAHFWMCB-INIZCTEOSA-N 368.651 3.467 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(Cl)cccc1N(C)C)NCC2 962925528 NQUOZYGRLJCAGP-IBGZPJMESA-N 357.885 3.343 0 1 FGAF Cc1cnc(-c2ccncc2N2CCC(C(=O)N3CC[C@H](F)C3)CC2)s1 209489657 COALSXLWPJUALW-HNNXBMFYSA-N 374.485 3.300 0 1 FGAF COc1nc(Cl)cnc1NS(=O)(=O)c1scc(Cl)c1Cl 137531949 ILKFPLMQNNVMMZ-UHFFFAOYSA-N 374.658 3.308 0 1 FGAF O=C([C@H]1CCCO1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12320355 LRBDOYARAMEUKY-OAQYLSRUSA-N 371.525 3.244 0 1 FGAF CC1(C)C[C@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)CCO1 14882273 IMWGMFCLKRLJIQ-MSOLQXFVSA-N 366.461 3.374 0 1 FGAF Nc1nc(O[C@H]2CC[C@H]3CCCC[C@@H]3C2)nc2c1ncn2[C@@H]1CCCO1 169291414 QGZKDFNFCTXEHY-KBXIAJHMSA-N 357.458 3.455 0 1 FGAF CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 169363539 SLKDSLAWMQSCJY-JLHFOLKXSA-N 369.527 3.134 0 1 FGAF C=CC(=O)Nc1ccc2nc(NC(=O)NCc3ccc(OC)cc3)[nH]c2c1 1857539711 REAXNHFWKCRKAR-UHFFFAOYSA-N 365.393 3.018 0 1 FGAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccccc4C)cccn3[nH]1)C2 1857752654 NSHYPFAOUWKHKF-QGZVFWFLSA-N 372.476 3.312 0 1 FGAF CC(C)Cn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 598698 WSZXSZFRGVOFAU-SJPCQFCGSA-N 368.477 3.440 0 1 FGAF COc1cccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)c1 1354177 FJBWZYLYIOXPIP-UHFFFAOYSA-N 355.438 3.359 0 3 FGAF O=S(=O)(c1ccccc1)N1c2ccccc2-c2ccccc2S1(=O)=O 2501408 VMWJQRQUXJYWFR-UHFFFAOYSA-N 371.439 3.251 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O 3990877 LDTVAEAOOFGOEC-OZVGAOPWSA-N 357.516 3.073 0 1 FGAF CC(=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O)CO 2356428493 NEQDXCVCMNDZJU-UHFFFAOYSA-N 354.358 3.058 0 1 FGAF O=P(O)(O)[C@H](F)c1ccc2ccc([C@H](F)P(=O)(O)O)cc2c1 27103581 AMIIXHDQPGPIBX-TXEJJXNPSA-N 352.166 3.131 0 1 FGAF CCN1CCN(C(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)CC1 57994720 KAXDKSPDBUZTHS-UHFFFAOYSA-N 370.472 3.193 0 1 FGAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@H]12 28523077 SEVLWERLWNROPL-OALUTQOASA-N 369.534 3.206 0 1 FGAF S=C1C[C@@H](NCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 64750433 HUOPJLBMDGZQDP-WXOXAHCZSA-N 369.578 3.441 0 1 FGAF c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCOCC1 40567208 PWCUKEUQZRNKBH-UHFFFAOYSA-N 352.478 3.018 0 1 FGAF C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 49046456 YSTPWPWIXDYZLT-LBPRGKRZSA-N 353.451 3.495 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3c3ccccc3)c2s1 141208705 IAEPLCQQQMHCHK-QRTARXTBSA-N 370.474 3.255 0 1 FGAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(CO)[nH]n2)cc1 95561698 WQBOPYHAIOMYCK-UHFFFAOYSA-N 368.441 3.338 0 1 FGAF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(O)c2)NC(=S)N1 96929762 XDEKRCRFUUPNAM-GOSISDBHSA-N 367.474 3.441 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3nc(Cl)c[nH]c-3n2)cs1 587014301 OXYUVNSVWWTWKU-UHFFFAOYSA-N 366.834 3.106 0 1 FGAF C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876199 PLYXUUGTPKZQPE-YNEHKIRRSA-N 359.401 3.180 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]nc3ncccc23)N1 587792203 HDGYDZXQTNFYNZ-RMLUDKJBSA-N 361.218 3.483 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccn4)C[C@@H]1C)[C@@H](C2)C3=O 587434589 BIECWJXXONNYNM-SDYXESRWSA-N 364.445 3.118 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(C(F)F)n1 587870665 GCANBBAOMWNHRJ-UHFFFAOYSA-N 350.300 3.368 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)CCCC2=O)N1 587818016 OJHSSNDVVOXDAU-XLFHBGCDSA-N 368.246 3.276 0 1 FGAF OCc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 586895647 RKPRREJKAOVLNL-UHFFFAOYSA-N 350.159 3.327 0 1 FGAF COCCOCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399845 MPHDKOQFMQHGTR-FQEVSTJZSA-N 371.433 3.326 0 1 FGAF COc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 587124105 LOPPGNRXTYUACW-OIBJUYFYSA-N 352.320 3.138 0 1 FGAF CN1CCN(c2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)CC1 587115700 XJICYDSZKKSRPW-UHFFFAOYSA-N 361.371 3.396 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(NC(C)=O)cc41)[C@@H](C2)C3=O 587426977 BSYLRFZSQOPJTE-HRAATJIYSA-N 365.385 3.079 0 1 FGAF Cc1c(Br)cnc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc12 587151288 RODFLOBBJDLCQR-NSHDSACASA-N 353.170 3.355 0 1 FGAF CC1=C(c2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 587108383 LCIUDCMPUCISGM-UHFFFAOYSA-N 373.338 3.399 0 1 FGAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)O 587439541 BNGBRSCINYRIRC-AUUYWEPGSA-N 354.358 3.281 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587396588 UKFRMJGVNOMFFF-YUNKPMOVSA-N 374.437 3.085 0 1 FGAF COC(=O)[C@@H](C)[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398237 DHAQBYMMPIFGJC-LRTDBIEQSA-N 369.417 3.256 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Cl)nc3[nH]2)CCC(O)CC1 587237008 KIFQDDLEEHCUDF-UHFFFAOYSA-N 366.849 3.266 0 1 FGAF Brc1ccc2c(c1)[C@]1(CC2)NCCc2nc3ccccn3c21 962986327 SMXLXUORTUVHRF-SFHVURJKSA-N 354.251 3.432 0 1 FGAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@]1(C)c1ccc(F)c(F)c1 222657225 OQQHIFZVKVYHNB-QGZVFWFLSA-N 363.389 3.134 0 1 FGAF Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1 11840337 BYIUTBBPZFVDJL-KRWDZBQOSA-N 363.465 3.338 0 3 FGAF CCc1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)no1 13745333 XCQNPGCHYUZKDM-UHFFFAOYSA-N 364.409 3.021 0 1 FGAF COC(=O)c1ccccc1S[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 724964 DJPGPNCQSQEWMW-INIZCTEOSA-N 355.415 3.206 0 3 FGAF COc1ccc2c(NN3C(=O)C=C(C)C3=O)nc(-c3cccs3)nc2c1 1489584 HQUBLLUDMWALJL-UHFFFAOYSA-N 366.402 3.009 0 1 FGAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@@H]1C(C)C 2356377859 NYAKMYVFRAVTOH-YESZJQIVSA-N 371.485 3.003 0 1 FGAF CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1 2456824 HBYVIKHRQTTYNH-VWLOTQADSA-N 361.467 3.051 0 1 FGAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 4894520 JQTOJNNWHKJNRC-KUHUBIRLSA-N 352.434 3.307 0 1 FGAF CC[C@@H](C)CCCCCCCCC(=O)N[C@@H](CC(=O)OC)C(=O)OC 2356500543 XSWVXEKKEXEEKJ-CVEARBPZSA-N 357.491 3.374 0 1 FGAF CCC[C@@H](C[C@@H](CCc1ccc(OC)c(O)c1)OC(C)=O)OC(C)=O 2356616430 WUXDXKPKJWWNDQ-DLBZAZTESA-N 352.427 3.387 0 1 FGAF CC(=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 2356762395 WTAGIHGECXTWAX-VFNWGFHPSA-N 368.385 3.212 0 1 FGAF COC[C@]1(OC)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@H](O)[C@@H]2C 2356826214 HWCZSAJXKSHKFY-FPTASKROSA-N 364.526 3.479 0 1 FGAF COCCNc1nc(NCc2ccc(NC(C)=O)cc2)c2sccc2n1 61905256 ACWCOCJWLHNDEK-UHFFFAOYSA-N 371.466 3.320 0 3 FGAF NC(=O)c1ccc(N[C@H]2CCCC[C@H]2N)nc1Nc1cccc(Cl)c1 34033655 MMFBBQQGBVPLQQ-CABCVRRESA-N 359.861 3.259 0 1 FGAF Fc1ccc(Cn2cc(CSc3nnc(-c4cccnc4)o3)nn2)cc1 1911574312 SJWZENJHNGICKR-UHFFFAOYSA-N 368.397 3.203 0 1 FGAF O=C([C@@H]1CCc2c(Cl)cc(Oc3ccccc3)c(=O)n21)N1CCCC1 40414524 XFDISOKUMMTFQC-INIZCTEOSA-N 358.825 3.404 0 1 FGAF CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@@]3(C)[C@@H]24)CO1 138116105 QBCPPXUWUDONEX-MQUYVMPGSA-N 364.482 3.445 0 1 FGAF O=C(NCCF)c1ccc(Nc2ccnc(-c3cccnc3)n2)c(F)c1 221582857 IYIFMGBAFCBPTM-UHFFFAOYSA-N 355.348 3.121 0 1 FGAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1C1CC1 95565484 PFQGMOIIEOEFEH-GFCCVEGCSA-N 360.763 3.128 0 1 FGAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)nc1 473168126 KLOKNVATJCZZAJ-UHFFFAOYSA-N 365.320 3.175 0 1 FGAF O=CNC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579498 OKMJBJGQKRWWDR-DHUIEDIVSA-N 367.401 3.029 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(N)=S)c1)[C@@H](C2)C3=O 587450997 HPWUUSJINXLLFF-LIRRHRJNSA-N 354.431 3.014 0 1 FGAF N[C@H](N=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007893 VARKIEKMQLOTSL-CYBMUJFWSA-N 371.198 3.364 0 1 FGAF CC(=O)NC1(c2nc3cc(Br)cnc3[nH]2)CCC(C)CC1 587234282 IPPDUHFSIMPIMP-UHFFFAOYSA-N 351.248 3.262 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cnc1C(=O)O)[C@@H](C2)C3=O 587424408 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LNOFDVSWGARPID-RNMLJGERSA-N 358.390 3.145 0 1 FGAF O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)o3)ccc12 150135322 QWDNMMXLOUXWQG-UHFFFAOYSA-N 351.358 3.090 0 1 FGAF NCCC[C@H](Cc1cn([C@H]2CC[C@H](Oc3ccccc3)CC2)cn1)C(=O)O 169698763 ZALSOORDNKVPOI-POAQFYNOSA-N 371.481 3.428 0 1 FGAF CCC(=O)Nc1ccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cc1 1857572442 SWXUZZKSWIKFBE-UHFFFAOYSA-N 363.425 3.335 0 1 FGAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc3ccccc3n2)Oc2ccccc21 2356299082 VNCCLOAKTBMGTE-FXAWDEMLSA-N 359.429 3.233 0 1 FGAF O=C1CCCc2cc(CC(=O)N3CCCC[C@H]3CN3CCCC3)ccc21 3797511 MOBNUFFDYKTZOE-IBGZPJMESA-N 354.494 3.225 0 1 FGAF O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 4238194 BEOFKPYKDYIIRX-NRFANRHFSA-N 353.441 3.349 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@@H]3OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356383083 ZHTPTXDAVDVETG-FBFPQIIASA-N 360.450 3.234 0 1 FGAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1C(=O)O[C@@H](c2ccccc2)C1=O 29126907 DMUUIFGKJLDOPP-HIFRSBDPSA-N 364.184 3.415 0 1 FGAF CN(C)c1cccc(NC(=O)[C@H]2Cc3c(-c4cccnc4)ccnc3O2)c1 61904074 AHKHITGXSWOTTR-LJQANCHMSA-N 360.417 3.152 0 3 FGAF CC(C)=CCc1ccc2[nH]cc(C[C@@H]3NC(=O)[C@@H](CC(C)C)NC3=O)c2c1 2356536077 OPJDHMQJVPIBCH-UXHICEINSA-N 367.493 3.248 0 1 FGAF CCO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@H]23)[C@H]1O 2356674119 WFWVEYQUMRMWGD-DGIMUSOZSA-N 364.397 3.014 0 1 FGAF COC(O)=C1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 2356840579 MSKAFRMBWXTPHY-INIZCTEOSA-N 371.393 3.423 0 1 FGAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](OC2)N(C)CC4)OCO3 2356864847 WALIKTBPUUSCPN-FQEVSTJZSA-N 355.390 3.116 0 1 FGAF Cc1ccc(CON2C(N)=NC(N)=NC23CCCCC3)c2ccccc12 33495455 KINFJGUHAQIKAL-UHFFFAOYSA-N 351.454 3.185 0 1 FGAF COC1=C[C@H]2C=Cc3c(CCN(C)C)cc4c(c3[C@@H]2C=C1OC)OCO4 40864479 XPALUHVBMIQPSU-CZUORRHYSA-N 355.434 3.320 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@@H](c1ccc(OC)c(OC)c1OC)CO2 238745481 QMTUOLDQDLDOEZ-CYBMUJFWSA-N 374.389 3.089 0 1 FGAF CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 95918654 NZPBUNQOXRUEEE-JQYWCJBQSA-N 366.498 3.080 0 1 FGAF biogenic,in-vitro COc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193769 PAPAHKRQGZJFNA-UHFFFAOYSA-N 353.422 3.091 0 1 FGAF CC1(C)O[C@@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2O1 587606426 CJYSPNDFCJXLKZ-HQEOYTPBSA-N 368.385 3.407 0 1 FGAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587163595 MYPDWOUVRHMSTO-FQEVSTJZSA-N 368.456 3.185 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587021522 KZGBKKNHXOKNIO-UHFFFAOYSA-N 367.434 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428824 QMTIKGNJLMGNDX-YWZLYKJASA-N 356.349 3.342 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2N)N1 587743612 DWCZRWWNGKMOHE-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF COC(C)(OC)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587508520 AUEFRDRFJGCTGL-IWGBCORSSA-N 359.466 3.354 0 1 FGAF COC(=O)c1c(C)[nH]c(C)c1[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618878 FARKMMGNGBKKGG-YBTHPKLGSA-N 372.465 3.401 0 1 FGAF CCn1cc(-c2cc3ccccn3c2[C@H]2c3c(cnn3C)CCN2C)cn1 963953740 DBHTWPPPLJPGNJ-OAQYLSRUSA-N 360.465 3.134 0 1 FGAF CCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622146 QJADFBZNTPJMDY-PIDKQCLESA-N 352.471 3.251 0 1 FGAF CC(C)N(C)c1nc2cc(-c3nn[nH]n3)ccc2nc1-c1ccc(F)cc1 201823852 HVSWQVRQWVUXHU-UHFFFAOYSA-N 363.400 3.461 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1C[N@@]1Cc1ccnc2ccccc12 1857626757 CGPWNJUUKBGYCH-ZJWNCGCPSA-N 362.355 3.250 0 1 FGAF O=C1C[C@@H]2C[C@H]2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857753836 KVGPSRLMTHROPM-XEZPLFJOSA-N 370.399 3.302 0 1 FGAF COc1ccccc1CNc1cc(-c2ccc(C(=O)N(C)C)cc2)ncn1 4239282 GVOQMGNOGYKSCW-UHFFFAOYSA-N 362.433 3.466 0 1 FGAF CC(=O)C[C@@H]1OC(=O)C2=CCC[C@H]([C@@H]3C[C@H](c4ccoc4)OC3=O)[C@@]21C 2356402727 OHWWUONSFYAWNR-YTRSDULBSA-N 358.390 3.131 0 1 FGAF O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1/C=C/c1ccccc1 103280850 SAYIMDCHIWSTPC-VMBAYLKOSA-N 365.429 3.401 0 1 FGAF CCOC(=O)[C@H]1CCCN(c2nc(C)c3nc(-c4ccccc4)oc3n2)C1 21023912 GTRIYMFZGVARKQ-HNNXBMFYSA-N 366.421 3.373 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26004778 BYNQSWQNNJNNDS-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356637947 LTCIULAHFYIQFG-UONOGXRCSA-N 357.454 3.091 0 1 FGAF CN[C@@H]1CC[C@]23[C@H](O)[C@@H]4C=C[C@H]5C[C@@]4(C)C[C@@](O)(C5)[C@@H]2C[C@@]32CCC[C@@H]12 2356711698 QDPANORNHMPXKQ-NUCXFPQYSA-N 357.538 3.259 0 1 FGAF C[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)CCc1ccccc1 61929913 CIZFWYXDCHKAIH-OAQYLSRUSA-N 362.433 3.125 0 3 FGAF CCC(CC)CN1CCN(c2c(C)c3c(O)cc(O)cc3oc2=O)CC1 45336831 TZJVPFPBBNHJGP-UHFFFAOYSA-N 360.454 3.071 0 1 FGAF CCN(C)Cc1cccc(C[C@H]2Oc3cc(OC)c(OC)cc3C2=O)c1 40898384 RRUPPYSATHGXPZ-HXUWFJFHSA-N 355.434 3.342 0 1 FGAF COc1ccc([C@H]2C[C@H]3C=Nc4cc(OC)c(OC)cc4C(=O)N3C2)cc1 49803804 UTHZLYZIRBZGKX-GJZGRUSLSA-N 366.417 3.427 0 1 FGAF C[C@H](CC(=O)O)Nc1nccc(-c2c[nH]nc2-c2ccc(Cl)cc2)n1 40938722 CSAMMUYXHPLXKP-SNVBAGLBSA-N 357.801 3.462 0 1 FGAF Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)no1 143469543 XJESLIILLVOOFA-MRXNPFEDSA-N 368.393 3.166 0 1 FGAF COc1cc(/C(=C\c2cccc(OC(C)=O)c2)C(=O)O)cc(OC)c1OC 95592866 JXJWHBFFNUQLIU-CXUHLZMHSA-N 372.373 3.263 0 1 FGAF COc1c([C@H]2CO[C@@H]3C=C(O)C=C(O)[C@@H]3C2=O)ccc(O)c1CC=C(C)C 97608016 GBQGFJSECZVLKZ-LZQZEXGQSA-N 372.417 3.475 0 1 FGAF in-vitro O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccnc1 95588355 LJAIBEICVMCECN-IRXDYDNUSA-N 357.841 3.206 0 1 FGAF CN1[C@H]2C[C@H]3[C@@H]4CC(=O)O[C@]4(C)OC[C@H]3[C@@H]1Cc1c2n(C)c2ccccc12 299822155 HIJSJXVEJVBFFC-ZPPAPSBDSA-N 366.461 3.022 0 1 FGAF COc1ccc(N(C)c2nc(N3CCOCC3)c3ccccc3n2)cc1 653840745 ZVIBISIIUYWHAM-UHFFFAOYSA-N 350.422 3.243 0 1 FGAF COC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592219 JKNLOJQPRCUDOV-OWZDWXTDSA-N 354.358 3.066 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587445259 YARPHGFZXMEWNP-RNODOKPDSA-N 356.374 3.210 0 1 FGAF Oc1nccc2nc(-c3cc(I)ccc3F)[nH]c12 587182081 DMTQLTBELRSTMQ-UHFFFAOYSA-N 355.110 3.074 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1cccc(O)c1 587607008 GIVIBTZQPNIJHQ-LAUBAEHRSA-N 362.337 3.311 0 1 FGAF CC(=O)N[C@H](Cc1nc2ccc(C)nc2[nH]1)c1ccc(Br)cc1 586984270 DMWDCOTWOYGIIL-OAHLLOKOSA-N 373.254 3.449 0 1 FGAF COc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cn1 587167473 NRLAOPPKQHVIJD-HNNXBMFYSA-N 355.373 3.475 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885565 BSTJGLVUGIYTTA-YWZLYKJASA-N 367.474 3.185 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]ccnc2-3)N1 587806186 VLLJZMQQWCMVLM-XLKFXECMSA-N 361.218 3.435 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(F)cc1)[C@@H](C2)C3=O 587429683 WIGYLWQBRIHBTB-MGPUTAFESA-N 355.365 3.369 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587427566 DRACVKCQNLJEBS-QKKBWIMNSA-N 367.401 3.239 0 1 FGAF COC[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833712 HNPBSEHFTKPZBL-PIGZYNQJSA-N 372.278 3.391 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1 587604332 STLHKQMTYRCALX-DYESRHJHSA-N 362.337 3.334 0 1 FGAF COc1cccc2c1OC[C@@H](N)[C@@]21NCCc2cccc(-c3ccccc3)c21 962666651 KXURGQYBXKMLTM-QPPBQGQZSA-N 372.468 3.471 0 1 FGAF CCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 224196838 FIGIKTDJBDBDIR-UHFFFAOYSA-N 358.463 3.419 0 1 FGAF O=C(O)c1cccc(Cc2c(N3CCCC3)nn3cc(Cl)ccc23)n1 1772590263 DBFPCHOWWWVVSU-UHFFFAOYSA-N 356.813 3.272 0 1 FGAF CNC(=O)C(=O)CCCCCCNC(=O)c1cccc(-c2ccccc2)c1 13553329 KDQXNIVNRUFOQX-UHFFFAOYSA-N 366.461 3.349 0 1 FGAF COc1cc2c(cc1OC)-c1c(OC)c3c(c4ccnc(c14)C2=O)OCO3 14619014 ZJEBRSKHTHEKLM-UHFFFAOYSA-N 365.341 3.201 0 1 FGAF biogenic Cc1ccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 1857567962 FBNGNCCFMDAVLZ-KRWDZBQOSA-N 354.431 3.343 0 1 FGAF CC(=O)NCc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1 3936174 DLRMISVWHXXKOL-UHFFFAOYSA-N 365.521 3.468 0 1 FGAF O=C(Nc1cccs1)O[C@@H]1COCCN(c2nc3ccccc3o2)C1 2356297934 CSOHPPUVFPADCU-LBPRGKRZSA-N 359.407 3.343 0 1 FGAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 59263569 AMWQFNROCOUNTL-MAUKXSAKSA-N 353.470 3.033 0 1 FGAF COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1 58591395 ZBNMFXYNMMZABE-UHFFFAOYSA-N 355.394 3.028 0 1 FGAF COc1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1OC 59817920 ANPQJCDRPVTKFD-LJQANCHMSA-N 364.401 3.416 0 3 FGAF N[C@@H](Cc1cnc[nH]1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61926145 WWGUXKALEADSGW-JTQLQIEISA-N 354.361 3.266 0 3 FGAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@]54C(=O)[C@@]12CC[C@@]34C 2356647793 VZUWYTVCXIXPRR-MLLADCRNSA-N 355.478 3.267 0 1 FGAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 61902886 SDQGSDFYPSHUOE-OAQYLSRUSA-N 367.449 3.252 0 3 FGAF NC(=O)C1CCN(c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1 36381457 ZNELCSQEZKJVKF-UHFFFAOYSA-N 371.384 3.410 0 1 FGAF Nc1ncc(-c2ccc(C3CCC3)c(Oc3ccnc(N)n3)c2F)cn1 212144922 JHSYALBFJHYVJD-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF N=C(N)c1ccc(-c2ccc3nc(-c4ccc(C(=N)N)cc4)n(O)c3c2)cc1 71295784 MTYQTOOFELZNES-UHFFFAOYSA-N 370.416 3.176 0 1 FGAF CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/C(=O)O)C[C@@H](OC(C)=O)[C@@H]1C(C)C 38307169 DMIGIXZMNGJDMW-JJRPHXORSA-N 352.427 3.263 0 1 FGAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cncn3C)cc1N2 43016401 VHPMIVHLGSAOKI-UHFFFAOYSA-N 362.389 3.112 0 1 FGAF in-vitro CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1 45368035 UAKWVTSOSZTVCH-UHFFFAOYSA-N 370.540 3.373 0 1 FGAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3F)CC2)c1 40918368 QGEFEAUYOGYRNF-UHFFFAOYSA-N 371.412 3.261 0 1 FGAF CC(C)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223663950 PNHIKXOKOOQDIT-CYBMUJFWSA-N 354.483 3.347 0 1 FGAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(CCO)C3)cc12 226058765 LPTSBLOXQQIUCP-ZDUSSCGKSA-N 355.413 3.159 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 238734191 JYELHVZHUTYKGP-JIWOIOHBSA-N 374.477 3.432 0 1 FGAF Cn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144889334 OQNGQDUOUIZENV-GOSISDBHSA-N 360.335 3.358 0 1 FGAF NC1=N[C@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1 96929115 BXBCTBZVFUCZMK-QGZVFWFLSA-N 358.854 3.190 0 1 FGAF CCCCNS(=O)(=O)/C=C/c1ccccc1CNC(=O)OC(C)(C)C 96020301 CQPZEEITBPGLCU-ACCUITESSA-N 368.499 3.402 0 3 FGAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(N)c5)c4)c3c2)cn1 96282983 ZHUGMFFQPPOJNL-UHFFFAOYSA-N 369.432 3.457 0 1 FGAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](O)Cc3c(cc4occc4c3C)[C@@]12C 238789098 NJHFGWBKMCKISA-BLKABHOGSA-N 372.461 3.399 0 1 FGAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)OCO4)cc(OC)c1OC 299828142 LOHVOYPIZPTDBT-AWEZNQCLSA-N 358.346 3.148 0 1 FGAF CC(=O)O[C@H]1C2=C(C[C@H]3OC(=O)C(C)=C13)[C@]1(C)[C@@H](O)CCC(C)(C)[C@H]1CC2 299832363 GBTVYZCTLIRYJJ-MENUELCOSA-N 374.477 3.458 0 1 FGAF COc1ccc(CN2C[C@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c(F)c1 299842384 OJFNCFNNAUZZTK-FPDPHYFHSA-N 356.441 3.267 0 1 FGAF CCOC(=O)Nc1ccc2c(CSC(=S)N(C)C)cc(=O)oc2c1 299863076 KNOKIRNSWXLSGD-UHFFFAOYSA-N 366.464 3.441 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ncccn12 587588676 UKOTZRXPNAXBNL-QFBILLFUSA-N 359.341 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(C)nc1N(C)C)[C@@H](C2)C3=O 587418764 CLSYFKIHPWDBDO-ZBEGNZNMSA-N 359.813 3.002 0 1 FGAF COc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cn1 587042166 IOCJCAIXGYINQN-ZDUSSCGKSA-N 360.826 3.275 0 1 FGAF CC1(C)C[C@]2(CC(=O)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346280 LLONVDZKWWLQNS-RXVVDRJESA-N 369.392 3.318 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Oc1ccccc12 587840750 JNVMQRYLQSSSHD-HUTHGQBESA-N 362.198 3.285 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2CCF)N1 587720709 UGLPPHZFUCGXSG-PSLIRLAXSA-N 356.214 3.378 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)c3ccccc3)C1)O2 587396283 RKOWSVJHLNGUDO-OAQYLSRUSA-N 350.418 3.217 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2N)N1 587748411 WYWNHTSWWYORBF-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4sc(=N)[nH]c41)[C@@H](C2)C3=O 587450496 FPJHGAWUGGOFIJ-WLRWDXFRSA-N 356.447 3.180 0 1 FGAF CC[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581646 WXAQBPDVZDIOIJ-NQIIRXRSSA-N 362.385 3.467 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CC2)N1 587754302 JLBXTWDJGSKXQE-QMTHXVAHSA-N 369.278 3.470 0 1 FGAF Oc1ccc(-c2nc3ccc(O)cn3c2I)cc1 584905036 YMNZZVKKQMNXQS-UHFFFAOYSA-N 352.131 3.017 0 1 FGAF in-vitro CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc4ccccc4c3)cc21 13603280 DCYHKDPKKTXSNK-UHFFFAOYSA-N 361.445 3.359 0 1 FGAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C/C(=C/CCO)CCCO1 13829234 LSIHNRUACNKZKD-AAKUMTKESA-N 357.372 3.113 0 3 FGAF COc1cc(-n2nnc3c4nc(C)ccc4c(C)nc32)cc(OC)c1OC 1857533953 ZGCRVKOGGQZKHG-UHFFFAOYSA-N 365.393 3.006 0 1 FGAF COCCNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12 4239222 PPJJKWTYKPVSON-UHFFFAOYSA-N 350.422 3.057 0 1 FGAF COc1ccc(COC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2)cc1 6666344 ZBYLGNFSAIJNBI-GOSISDBHSA-N 368.458 3.231 0 1 FGAF COc1ccc(C(=O)c2c(OC)cc(OC)c(Br)c2O)cc1 103224020 GDKGKOVITMHRRQ-UHFFFAOYSA-N 367.195 3.412 0 1 FGAF CCN1CCN([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 20108530 XLWSHEQFCZUEET-LJQANCHMSA-N 363.933 3.468 0 3 FGAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 2356572548 DYZJRZUDVUZRIP-MRXNPFEDSA-N 355.434 3.473 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@H]3O 2356662635 ZWCXSDJYJHKYKN-ZBSNUZBOSA-N 362.466 3.354 0 1 FGAF CC(C)c1c(OC[C@@H](C)O)cn2ncnc(Nc3cnc4[nH]ccc4c3)c12 38140282 UGDNQYIMJCMMJI-GFCCVEGCSA-N 366.425 3.232 0 1 FGAF O=C1NC(=O)[C@H](Cc2cccc(-c3cc(=O)c4ccccc4o3)c2)S1 38422569 YYRQRFSCRNYWME-KRWDZBQOSA-N 351.383 3.354 0 1 FGAF Cc1nc2c(-c3ccc(N(C)C)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O 43018202 DUIQNFOWBGTBNG-UHFFFAOYSA-N 360.417 3.412 0 1 FGAF Cc1nccc2c1[nH]c1cc([C@]34CC[C@](C(=O)O)(OC3=O)C4(C)C)ccc12 40862124 GOEJYGFKWDCKIU-NHCUHLMSSA-N 364.401 3.463 0 1 FGAF N#Cc1cc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2cc1-c1ccncc1 220098252 FBOWUBJXWDUVNJ-UHFFFAOYSA-N 369.306 3.374 0 1 FGAF COc1cc2c(cc1O)O[C@@H]1Oc3cc4ccc(=O)oc4cc3OC1=C2 238759233 APBDVJVONHAIGM-LJQANCHMSA-N 352.298 3.038 0 1 FGAF O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccn1 95562686 JMWILKMPNDSFCU-UHFFFAOYSA-N 357.826 3.318 0 1 FGAF C=Cc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 146650230 LSEROVCCXRMHBS-SFHVURJKSA-N 353.451 3.039 0 1 FGAF CS(=O)(=O)c1ccc(-c2nccc(-c3c[nH]c4cnccc34)n2)cc1 299863905 QEASAEABBPXQEO-UHFFFAOYSA-N 350.403 3.090 0 1 FGAF O=c1cc(CO)oc([C@@H]2C=C(c3cccs3)Oc3ccccc32)c1O 299868539 RRFUZWAHOZBFNC-CYBMUJFWSA-N 354.383 3.465 0 1 FGAF CN1CCCN(c2nccc(-c3cncnc3C3CCCCC3)n2)CC1 299849900 KRAVRFJWZGVYEJ-UHFFFAOYSA-N 352.486 3.123 0 1 FGAF C[C@H](CC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 299816052 PGWOBVRIBXLYFJ-WVZRYYJFSA-N 357.592 3.472 0 1 FGAF COC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587158322 WJOLCBIFUDAAEO-LJQANCHMSA-N 353.353 3.280 0 1 FGAF Cc1nn(C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583178 ULBPZQUZELKCPD-XLIONFOSSA-N 350.374 3.445 0 1 FGAF CN1CCN(c2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)CC1 587175878 JIPKKSHAEMPWCZ-UHFFFAOYSA-N 359.836 3.093 0 1 FGAF Fc1ccc(I)cc1-c1nc2cnc(Cl)[nH]c-2n1 587182702 OTILEWOPEWYWHD-UHFFFAOYSA-N 374.544 3.369 0 1 FGAF Cc1ccn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579278 CZUVMUCZDVGZAN-PXNSSMCTSA-N 350.374 3.318 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1cccs1 587872759 PZCYBEPCBDVMFB-UHFFFAOYSA-N 373.409 3.220 0 1 FGAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 587071296 ZSVQOVDLIHVZKY-SECBINFHSA-N 366.650 3.005 0 1 FGAF Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1NC(=O)c1c[nH]c2ccccc12 958006943 XRIYNVWPACZZDH-UHFFFAOYSA-N 372.388 3.184 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccncc3)(C(F)(F)F)c3cccc1c32 963031600 REPQUALTKNDBLW-ACJLOTCBSA-N 361.367 3.135 0 1 FGAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772610852 ATHLHBVXQHSTEK-LLVKDONJSA-N 373.388 3.005 0 1 FGAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(Br)c1 5886022 NAOHAAOAJONUQL-UHFFFAOYSA-N 363.255 3.305 0 1 FGAF O=C(NCc1ccccc1)N1CCC(CO)(Cc2cccc(F)c2)CC1 13636693 BBRWCKQPVAQWAC-UHFFFAOYSA-N 356.441 3.353 0 3 FGAF O=C(NCCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2[nH]1 1857538111 LBDOBSMAUNBEEA-UHFFFAOYSA-N 363.461 3.271 0 1 FGAF Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C)cnn1-c1nc(O)c2sccc2n1 1857579742 LKZLOYKECHFHIY-GHMZBOCLSA-N 371.466 3.152 0 1 FGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N(C)C 771929 ZCOKOTHSZCBVMR-ICSRJNTNSA-N 368.433 3.274 0 1 FGAF CO[C@@H]1C[C@H](CC[C@@H]2C(=O)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C(=O)O1 2356377547 CYEDQJFHAOSLCB-GSVFQZEVSA-N 366.454 3.179 0 1 FGAF O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 3956319 HRHJFSJDNSLQOU-IBGZPJMESA-N 359.470 3.411 0 1 FGAF COc1cccc(Cn2c(=O)c(-c3cccc(F)c3)nc3cncnc32)c1 4238520 BHQYLDYTFJKICA-UHFFFAOYSA-N 362.364 3.050 0 1 FGAF COc1ccc(C2=NN(C3CCOCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 26569000 LDQZVKGBHAZGGR-IAGOWNOFSA-N 370.449 3.012 0 1 FGAF CN(C)c1cnnc2ncn(Cc3cccc(-c4ccccc4C(=O)O)c3)c12 27308003 ZYYXAFGALKSGSS-UHFFFAOYSA-N 373.416 3.306 0 1 FGAF COc1ccc([C@@H](O)Cn2nc(-c3ccc(Cl)cc3)cc2CO)cc1 66259074 KNLCPKODLFLZFI-IBGZPJMESA-N 358.825 3.438 0 1 FGAF CCC(=O)O[C@@H]1CC=C(C)CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C1C 2356563370 ZHSMTXSVUWPNHP-QZTJIDSGSA-N 362.422 3.170 0 1 FGAF Cc1oc(=O)c2c(c1C)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 2356600846 BWYKQVIOFJIPNL-OUWXYEHJSA-N 374.477 3.487 0 1 FGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc(C(C)(C)C)on4)cc3n21 218307219 MIJZLNATTILSHA-LLVKDONJSA-N 366.421 3.484 0 1 FGAF Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 73169481 UOHHRRUERFHSGG-UHFFFAOYSA-N 374.557 3.015 0 1 FGAF CC1(C)C(C(=O)c2cn(CCN3CCNCC3)c3ccccc23)C1(C)C 45284260 QORGRCFIZLWIDX-UHFFFAOYSA-N 353.510 3.411 0 1 FGAF C=Cc1sc(=O)n(CCCN2CCN(c3ccc(C)cc3)CC2)c1C 45290684 XCWPMECQKNYUQD-UHFFFAOYSA-N 357.523 3.382 0 1 FGAF COc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 45503773 WNOUIVNEZOPZPD-UHFFFAOYSA-N 372.377 3.331 0 1 FGAF C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(CC3CC=CC3)c2n1 84654184 LLFDCARVADXEAY-XJKSGUPXSA-N 354.454 3.297 0 1 FGAF CC(C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40935420 CCWMVANLNDJTSE-DOMZBBRYSA-N 366.849 3.089 0 1 FGAF COc1cccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)c1 142774391 KYGZWXTXFXRVSC-UHFFFAOYSA-N 365.437 3.199 0 1 FGAF COc1cccc(OC)c1CNC(=O)Nc1ccc(-c2cn[nH]c2)cc1 95590315 RTTUUTQMTCFAGN-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF O=C1C[C@H](c2nc3cc(Cl)ncc3[nH]2)CN1Cc1ccc(F)cc1F 587148636 JEDFSPOOAUUEFD-JTQLQIEISA-N 362.767 3.406 0 1 FGAF CCOC(=O)N1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766391 GOBSBESEJCEDHL-QFYYESIMSA-N 371.250 3.180 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCC[C@@H]1C2 587589684 PMIDIVYSURHWAA-YMTYPPQLSA-N 351.402 3.351 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4cccs4)CC1)[C@@H](C2)C3=O 587453221 WGADVSWLPOJXJH-AWEZNQCLSA-N 369.442 3.179 0 1 FGAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c1 587928418 BTUVSDISTRDJBH-ARJAWSKDSA-N 365.389 3.167 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2O)N1 587772249 FEOSYECIDJXZBT-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF C[C@]1(C2(Cl)CC2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699354 JCXHOVNQOGHSHF-AAEUAGOBSA-N 351.727 3.430 0 1 FGAF COc1cc(OC)cc(C2=Nn3c(nnc3-c3ccccc3O)SC2)c1 13828753 VGVRQVKENOKUJN-UHFFFAOYSA-N 368.418 3.026 0 1 FGAF COC(=O)[C@@]12Cc3ccccc3[C@@H]1C[C@@H](C)[C@@H](C)N2C(=O)C(F)(F)F 169333167 XLELXJZZMSCKDP-DNAIWCKFSA-N 355.356 3.057 0 1 FGAF COc1cc(CO[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)cc(OC)c1 66138728 DQYCNHBELXAHGU-QHAWAJNXSA-N 356.418 3.278 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1O)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@H]13 2356609651 IRKBJATUVHHXPU-VSGYYQMOSA-N 360.450 3.260 0 1 FGAF CC(C)=CC(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 15267007 CRFUAJMARLIXPR-MRXNPFEDSA-N 358.390 3.399 0 1 FGAF biogenic COc1ccc2c(c1)[C@@H]1N=CN(CCc3c[nH]c4ccccc34)C(=O)[C@H]1N2 40917145 UUIVAQJNXWVEDE-PMACEKPBSA-N 360.417 3.125 0 1 FGAF COc1ccc(-c2cc(NCCc3ccccn3)ncn2)c(OC)c1OC 82161751 VSQPQZACDJXVTG-UHFFFAOYSA-N 366.421 3.219 0 1 FGAF CCc1c(Sc2ccccc2)n(OCC2CCCCC2)c(=O)[nH]c1=O 98081868 DHVHXXWISAFREV-UHFFFAOYSA-N 360.479 3.259 0 1 FGAF CC(=O)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]3CC[C@]12C 255218188 HPRROXHWAYOSLI-KHQYQHGGSA-N 350.499 3.293 0 1 FGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 473148495 GIHINZJZPGBWCN-JXXFODFXSA-N 369.804 3.222 0 1 FGAF O=C(O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006937 SLGLGAVTEGQQAJ-UHFFFAOYSA-N 357.167 3.338 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 587764801 RAXOURAEQDHEPH-JDNHERCYSA-N 352.251 3.428 0 1 FGAF Cc1cc(Br)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 586924306 PCLWNEGNRVLUPY-UHFFFAOYSA-N 357.273 3.491 0 1 FGAF COc1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nn1 587862904 KWAFZOAWDIHLRO-UHFFFAOYSA-N 350.300 3.365 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)OCCN3C)CC2=O 587475093 LTFITSVUCUHZSQ-KRWDZBQOSA-N 354.406 3.275 0 1 FGAF CC(C)(C)OC(=O)N1CCCCC[C@H]1Cc1ccc2c(O)nc(O)nc2n1 587556604 BQNWXAWLEHUOQG-ZDUSSCGKSA-N 374.441 3.158 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(C)cc21 587408751 ODUFOXABVLKTQA-FQEVSTJZSA-N 351.358 3.107 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CC2)N1 587754300 JLBXTWDJGSKXQE-IINYFYTJSA-N 369.278 3.470 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C 587834411 RHFQJHCBIDBKNL-XOZCIVSQSA-N 356.235 3.289 0 1 FGAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587783471 SBKPCZDNLZRICJ-SSDOTTSWSA-N 351.275 3.354 0 1 FGAF Cc1nc(C)c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)o1 962659170 DTMOUZTUWXSEMQ-LEWJYISDSA-N 365.433 3.202 0 1 FGAF Cc1c(O)ccc2c1C1(CCC(OC3CCCC3)CC1)N[C@H](C(=O)O)C2 963553358 SOAOWQRMBNWPSD-BATSVXPKSA-N 359.466 3.397 0 1 FGAF COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1 5884373 IBZIVPBFTSKDAZ-UHFFFAOYSA-N 365.792 3.450 0 1 FGAF CC(C)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19451116 YVCKZFVEQOYFKT-OTWHNJEPSA-N 350.528 3.067 0 1 FGAF COc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1 4239132 ZHYSGCXNSKBJCE-UHFFFAOYSA-N 356.432 3.033 0 1 FGAF COc1cc(OC)cc(-c2ccc3nsc(N4CCOCC4)c3n2)c1 1911579158 LVTTXQXYOFRIGZ-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF CCO[C@@H]1CCC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N1C 103217816 WTMPDBNGLLWXDD-OAHLLOKOSA-N 354.838 3.091 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 27640010 XEYBRNLFEZDVAW-GEFKVBFBSA-N 352.471 3.251 0 1 FGAF Cc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CCO)CC1)=N2 100765071 PCGWIAIYKRIPOX-UHFFFAOYSA-N 361.489 3.275 0 1 FGAF COc1ccc([C@H]2OCO[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 26148990 IGNXTCFTYHDNNY-QZTJIDSGSA-N 362.378 3.213 0 1 FGAF CC(C)=CCn1c2ccc(NC(=O)Nc3cccnc3)cc2c(=O)n1C 61926888 NXKDRVLVCZWONH-UHFFFAOYSA-N 351.410 3.345 0 3 FGAF c1cc2c(c([C@@H]3OC[C@@H]4[C@H](c5ccc6c(c5)OCO6)OC[C@H]34)c1)OCO2 504569243 WDPQLPUISOFTQH-LSOMNZGLSA-N 354.358 3.219 0 1 FGAF biogenic COc1ccc(CCNc2nc(N3CCC[C@@H]3C)ncc2C)cc1OC 82202733 GBMKPXLJGBFGTI-HNNXBMFYSA-N 356.470 3.446 0 1 FGAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 16040378 OAGARKCGSYLMMB-LJQANCHMSA-N 373.456 3.199 0 1 FGAF biogenic CC1(C)Oc2cc(C(=O)c3cccnc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669243 XSAXIVRKDVHLPH-BZUAXINKSA-N 353.418 3.434 0 1 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 195384151 MIDSAJAJOYYSFS-OPYAIIAOSA-N 373.412 3.395 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H](O)C(=O)O 238733992 MBFXNYXLPHWLJQ-IJZZXNNOSA-N 350.499 3.452 0 1 FGAF COc1ccccc1-c1cccc([C@@H]2C[C@H]2[C@]2(C)CC(=O)N(C)C(N)=N2)c1 96933651 XGLCKKWQVMMTIG-SVMVAKDDSA-N 363.461 3.401 0 1 FGAF Cc1nc(-c2ccc(C)n2C)sc1-c1ccc2c(O)nc(O)nc2n1 587563130 FEZBSQKNMQFRCJ-UHFFFAOYSA-N 353.407 3.182 0 1 FGAF CS(=O)(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587022060 UCYVAMCCIXGPDV-UHFFFAOYSA-N 370.459 3.169 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(C)cc1 587207769 VJOODOBGPCJMOS-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587230560 HXVMKXWSARHPKV-NXEZZACHSA-N 371.268 3.301 0 1 FGAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 587355280 CVTZALWZKCQGIU-UYAOXDASSA-N 354.333 3.132 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)O)c2)N1 587790884 JUMKCWRDTYOEEL-PWJLMRLQSA-N 367.218 3.412 0 1 FGAF Cn1c(=O)n(C)c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587519300 YFKKEXKSVGRPJB-FQEVSTJZSA-N 362.429 3.462 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](S(C)(=O)=O)C1)CC2=O 587488220 PJTCGIADGMHVFP-XIKOKIGWSA-N 352.452 3.036 0 1 FGAF CN(Cc1nc2ccc(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929156 QOJXDRRVBUDYAW-UHFFFAOYSA-N 353.806 3.176 0 1 FGAF Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587587064 FIXXFLMOZNDRHF-LPHOPBHVSA-N 365.341 3.430 0 1 FGAF CCC1N2CC3(C)CN1CC(C)(C2)C31c2ccc(F)cc2C[C@@H]2CCCN21 963107085 OLZNNMVLAIVCMH-XRLDXWBLSA-N 369.528 3.435 0 1 FGAF COc1ccc2nc(SCC(=O)Nc3ccccc3N(C)C)[nH]c2c1 1772626985 XGPVMONDYJQSER-UHFFFAOYSA-N 356.451 3.368 0 1 FGAF O=C(O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12 13448987 OHAUPDIGXYKHKL-UHFFFAOYSA-N 368.389 3.426 0 1 FGAF COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2=O 14447714 NDCKQHZMIZHJRH-QSRBQVKKSA-N 370.401 3.137 0 1 FGAF biogenic,in-vitro Cc1nc([C@H]2C[C@H]2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281032 WSTOKKIZKSOHJV-UONOGXRCSA-N 363.400 3.269 0 1 FGAF CC(C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc2ccccn12 1857585194 YVBMZPKELIWYNM-UHFFFAOYSA-N 356.813 3.378 0 1 FGAF Oc1ncnc2c(-n3cc(C4CCN(C5CCCC5)CC4)cn3)nccc12 1857585745 XYBBSEAKIBCXQV-UHFFFAOYSA-N 364.453 3.038 0 1 FGAF N=C(c1ccc2c(c1)NC(=O)CO2)[C@@H](Sc1nc[nH]n1)c1ccccc1 1857614432 QOPBYMFPPXZDDP-KRWDZBQOSA-N 365.418 3.037 0 1 FGAF O=C(CSc1nc(O)c2ccccc2n1)N[C@H]1CCc2ccccc2C1 1857643751 HUNKUAZFJMDUPO-HNNXBMFYSA-N 365.458 3.101 0 1 FGAF O=C(O)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(O)c1O 1857755810 CJBWXVHZCPASNO-UHFFFAOYSA-N 368.189 3.291 0 1 FGAF O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1O 1635929 LVQZZDUBHRSFMG-UHFFFAOYSA-N 357.369 3.153 0 1 FGAF CC(=O)[C@]12C[C@H](C)[C@@](CO)(CCC(=CCO)CO)[C@@H]1CCCCC2(C)C 2356361174 WISUTYKMYIPDLH-GUMYABAYSA-N 366.542 3.488 0 1 FGAF Cc1[nH]c(C(=O)NC2CCOCC2)cc1Cc1ccc(C(F)(F)F)nc1 1911572763 NIHJPFIWGBXRHB-UHFFFAOYSA-N 367.371 3.237 0 1 FGAF CC(C)(Oc1ccccc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@@H]1C[C@@](C(=O)O)(C2)C3 100387713 GIFJUNAMCWBYRP-YBZGUASOSA-N 357.450 3.240 0 1 FGAF CSCCNC(=O)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 26168118 UKJQNVZYVCJTLI-QGZVFWFLSA-N 352.459 3.026 0 1 FGAF CC[C@H](c1ccccn1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 29040502 QAIUYSBGZBVEPC-MRVPVSSYSA-N 350.205 3.460 0 1 FGAF CCCCC[C@H](O)CCC=CC=CC=C[C@@H](O)[C@H](O)CCCC(=O)O 2356667537 WRFBDEURXXFJRY-IPMKNSEASA-N 354.487 3.353 0 1 FGAF COc1cc(C(=O)c2cc(Br)sc2N)cc(OC)c1OC 35792336 MNMYPJFCCDGYRJ-UHFFFAOYSA-N 372.240 3.350 0 1 FGAF OCCN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222890 DFNGZIPWXHTTPA-KRWDZBQOSA-N 353.441 3.395 0 1 FGAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccccc2C)n1 82070844 PHAYGUYSGVBSDZ-OAHLLOKOSA-N 374.437 3.128 0 1 FGAF COc1ccc([C@@H](C)O)cc1CSc1nc2ccccc2n1CC(=O)O 84669994 ZHAJGDSYQBSPFF-GFCCVEGCSA-N 372.446 3.475 0 1 FGAF COCCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179729 DPOQSFPBPFNTLF-UHFFFAOYSA-N 355.417 3.144 0 1 FGAF Cc1cc(C)c(CNC(=O)c2cn([C@H](C)c3ccccc3)nc2C)c(O)n1 148513281 GGEMCYUQLVBIKT-MRXNPFEDSA-N 364.449 3.448 0 1 FGAF CN(C(=O)C1CCC1)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 146676121 FYMIVSFCMKOTMU-UHFFFAOYSA-N 369.440 3.142 0 1 FGAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 95600512 RUJXEJTUUSFVDR-KRWDZBQOSA-N 351.385 3.139 0 3 FGAF CCCC[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 253634045 NHAKCBNDIGPYRC-LIIWBFQVSA-N 355.478 3.350 0 1 FGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccno1 473156194 SWHBBBIQFUCYSU-UHFFFAOYSA-N 367.748 3.381 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c[nH]1 587254870 RYZDHWNMKKSKAG-UHFFFAOYSA-N 371.379 3.424 0 1 FGAF COC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587118755 OKMYWMXNTSHAMT-UHFFFAOYSA-N 364.327 3.491 0 1 FGAF CCc1cc(O)nc(SCc2nc3ccnc(Br)c3[nH]2)n1 586967329 XTKCFZCLOIIMRZ-UHFFFAOYSA-N 366.244 3.071 0 1 FGAF CCOC(=O)C(=O)C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526734 ZOXZVVAVSPJDPU-OAQYLSRUSA-N 356.418 3.202 0 1 FGAF FC(F)(F)COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccn1 587091270 HSQJRHNZGVGRTR-UHFFFAOYSA-N 363.221 3.326 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Cl)ccc(F)c41)[C@@H](C2)C3=O 587429795 WWPXGGINNCMKOV-NIVTXAMTSA-N 359.740 3.083 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc12 587785332 NCMAYBMJFMBCBD-GJZGRUSLSA-N 350.374 3.293 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586948636 QBDMDWGWBYUWTE-UHFFFAOYSA-N 350.831 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCOCC1)[C@@H](C2)C3=O 587443254 LVAZIJWHCSHTLY-HRAATJIYSA-N 351.402 3.021 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccn2n1 587589909 YRKYHBRMNHDWDL-QFBILLFUSA-N 359.341 3.138 0 1 FGAF CCCn1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699548 PDSLXKIPYXUPAB-HUUCEWRRSA-N 371.334 3.139 0 1 FGAF COc1ccc2c(c1OC)[C@]1(CCC[C@H]1C(=O)C(F)F)N(C)[C@@H](C)C2 962634531 ULUAAQVMQJSDEJ-MJLGCCKJSA-N 353.409 3.410 0 1 FGAF CCCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O 13738797 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N[C@H](N=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039828 GAKWNAYOKWULEA-IXDOHACOSA-N 353.451 3.233 0 1 FGAF CCN1C(=O)C[C@]2(C=C1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582700 NLJSHSZQOPPLDX-RXVVDRJESA-N 365.385 3.249 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C3CCC(N)CC3)nc2c1 587256738 QDTWFBRGYRNZDO-UHFFFAOYSA-N 352.232 3.097 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)OC)c2[nH]1 586963108 KIVZNLLPVPMXHF-LBPRGKRZSA-N 358.423 3.397 0 1 FGAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(O)cc2[nH]1 586954039 YXAUNUBYUXAABM-UHFFFAOYSA-N 372.431 3.193 0 1 FGAF FC(F)(F)c1ncc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc-2[nH]1 587076350 QRARNVGDFOAMSZ-UHFFFAOYSA-N 365.706 3.224 0 1 FGAF C[C@@]1(c2ccnc(Cl)n2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962772291 VRCCQBHPJXKLMY-IAQYHMDHSA-N 355.747 3.039 0 1 FGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cccc4c[nH]nc34)N12 962662937 JCVCUJJNZOTWPH-KNQAVFIVSA-N 372.428 3.299 0 1 FGAF Cc1cc(=O)oc2cc(NC(=O)CCCNC(=O)OC(C)(C)C)ccc12 1772581832 VZDWZPSAWJJZBE-UHFFFAOYSA-N 360.410 3.345 0 1 FGAF CC(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1 1772570116 SASPUFCKCHIUMS-UHFFFAOYSA-N 366.465 3.065 0 1 FGAF CCn1nc(C)cc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 11816698 CTHQLJXBBHDYIZ-QGZVFWFLSA-N 358.461 3.087 0 3 FGAF CN1CCC[C@@H]1CCNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 11873843 FUVYADCJMLTIPM-CQSZACIVSA-N 351.376 3.454 0 1 FGAF CCc1nc(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OC)c1 13532934 HINDTDSSQJLTID-UHFFFAOYSA-N 364.449 3.382 0 1 FGAF COc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)N(C)CC(=O)O 13823566 XBSIZCMDISYKIC-UHFFFAOYSA-N 371.311 3.032 0 1 FGAF COc1cc2cc3[n+](cc2cc1OC)CCc1cc(OC)c(OC)c(O)c1-3 14715501 IEQMVBMZEXXFIL-UHFFFAOYSA-O 368.409 3.090 0 1 FGAF CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169713541 YJLVMNYHBPCQKV-XRIGEVNCSA-N 358.526 3.378 0 1 FGAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1cccnc1 167527732 USPGLOHAFVHPCZ-UHFFFAOYSA-N 366.465 3.097 0 1 FGAF Oc1ccc(-c2ccc3c(-c4cnn(C5CCNCC5)c4)[nH]nc3n2)cc1 1857556365 LUKMDDZOHOANSJ-UHFFFAOYSA-N 360.421 3.119 0 1 FGAF CC(C)(N=c1nc(-c2ccncc2F)[nH]c2cnccc12)C(F)(F)F 1857602220 LMLFNPDYWJFFPD-UHFFFAOYSA-N 351.307 3.401 0 1 FGAF COc1cc(C(=O)c2nnc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC 1857765481 CXLFXGBZRHHBAS-UHFFFAOYSA-N 353.378 3.037 0 1 FGAF Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@H]3CCCO3)c(Cl)c12 4941110 JNDKRQJUBSEHLP-CQSZACIVSA-N 370.840 3.291 0 1 FGAF CN(Cc1cn(C)c2ccccc12)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2 6815463 VAZMNDXVXVUKFY-JXMROGBWSA-N 374.444 3.130 0 1 FGAF in-vivo COc1c(C)cnc(C[S@](=O)c2nnc(-c3ccc(F)cc3)o2)c1C 26641524 MESQKVHCVHMXFT-RUZDIDTESA-N 361.398 3.204 0 1 FGAF CCCCn1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O 36423795 FGLKANLZGVTMKK-UHFFFAOYSA-N 360.801 3.326 0 1 FGAF C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccc(Br)cc1 40872322 ZVYACUOAYWWOQQ-BJOHPYRUSA-N 371.300 3.259 0 1 FGAF CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1 40380138 IOTPTXZZXUCFNO-UHFFFAOYSA-N 374.901 3.104 0 1 FGAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12 299861157 KPYOXUIJDUDMCZ-LSDHHAIUSA-N 364.453 3.087 0 1 FGAF CCOC(=O)N1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766389 GOBSBESEJCEDHL-MGPLVRAMSA-N 371.250 3.180 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cnc3[nH]2)cc1 587042145 ITFKYKYHXZROOD-OAHLLOKOSA-N 372.425 3.384 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587441269 FIACUBXPOULFAX-UWJYYQICSA-N 351.402 3.021 0 1 FGAF COCOc1ccc(OC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444227 SHJZDOKVCYZYCL-FOIQADDNSA-N 356.374 3.175 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc4c(C)nn(C)c4nc1Cl)[C@@H](C2)C3=O 587418192 BEGAPDUDSWCSQR-YVEFUNNKSA-N 369.808 3.427 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586879676 MPGUUFWPPAGTOA-YFHOEESVSA-N 356.403 3.121 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cnc4ccccc4c3[nH]2)cc1 586919879 ADJITUIJYOLLTG-UHFFFAOYSA-N 353.403 3.094 0 1 FGAF COc1ccc(-c2cc(O)n(-c3n[nH]c(-c4ccccc4F)n3)c2O)cc1 587944509 AAPGTMNOOXTABH-UHFFFAOYSA-N 366.352 3.488 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587789556 DVEXBAQZHGOAPG-AYVTZFPOSA-N 367.218 3.327 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(N)=O)s2)N1 587849217 RGYNIDMUVLACFT-NXSYQRQQSA-N 369.259 3.372 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3ncnc32)[C@H]1c1ccc(F)cc1 587346086 LDPJHYVHKVYQMT-FXAWDEMLSA-N 363.348 3.252 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CO)c2)N1 587824985 FDMYHQXYSNYNRL-XLFHBGCDSA-N 366.230 3.410 0 1 FGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]c3nccc-3c2)N1 962983039 YOLBOXNSFFCLFQ-WFASDCNBSA-N 363.751 3.134 0 1 FGAF CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCCN1CCCCCC1 143201515 OWTIHQUNWMBJJI-UHFFFAOYSA-N 372.517 3.467 0 1 FGAF COC(=O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1C)[C@@H]23 1772587785 WNTAQUHGWNUEHO-HIUFNZKISA-N 356.510 3.233 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5978212 BHMBVRSPMRCCGG-FNLGWFRMSA-N 352.471 3.251 0 1 FGAF in-vitro CCCn1c(=O)c2[nH]c(C([C@H]3C[C@@H]3C)[C@@H]3C[C@@H]3C)nc2n(CCC)c1=O 13889616 HMVSPWMLAUTJBO-JZAZDWQXSA-N 358.486 3.102 0 1 FGAF C[C@@H]1CN(C(=O)Cc2ccccc2)CCN1C(=S)Nc1ccc(F)cc1 1857557519 SBHKQPAABMHILW-OAHLLOKOSA-N 371.481 3.298 0 1 FGAF COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)c(OC)c1 139328110 CGZNLRBXZQIDJQ-UHFFFAOYSA-N 351.358 3.455 0 1 FGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 990906 GKAZBENQAFJSMI-BZUPMSHVSA-N 358.397 3.250 0 1 FGAF C[C@@]1(C(=O)NCCOc2ccccc2)CON=C1c1ccc(Cl)cc1 2462915 OCYQTWOFEDPNDT-LJQANCHMSA-N 358.825 3.276 0 1 FGAF COc1cc(C[C@@H]2NCC[C@H]3C=C(O)C(O)=C(F)[C@H]32)cc(OC)c1OC 100986083 ZSESSFIOOIMOHZ-MQIPJXDCSA-N 365.401 3.044 0 1 FGAF O[C@@](Cn1cncn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26851270 UAVUOLYCVZKKFU-OAQYLSRUSA-N 360.392 3.415 0 1 FGAF Nc1ncnc2c1O[C@H](c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CO2 101448020 AOVBNRRYULZZSN-ZENOOKHLSA-N 369.421 3.320 0 1 FGAF CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3[nH]cnc23)cc1 113151918 DQNSMFXHSRSJHE-UHFFFAOYSA-N 359.393 3.425 0 1 FGAF Cc1noc(C)c1Cn1cc(N(C)C(=O)C2(c3ccccc3)CC2)cn1 115731824 KJYRPGWGFCPEEH-UHFFFAOYSA-N 350.422 3.231 0 1 FGAF CCN(CCN(C)C)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 22871056 FSKBJYVHCHUQQA-OAQYLSRUSA-N 366.505 3.172 0 1 FGAF O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccccc2)C(=O)[C@@H]2CCCN12 29341544 RJTMZZLXYDWANK-SFTDATJTSA-N 373.456 3.112 0 1 FGAF CO[C@@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC 28571110 ZIGZMEZHXMZEPZ-WCAYHLDQSA-N 356.418 3.271 0 1 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1c(OC)cccc1OC)[C@@H](OC)C2=O 2356551171 SYLLBZVMSOPMCI-PMACEKPBSA-N 374.389 3.052 0 1 FGAF COc1ccccc1CN1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356600154 BVFHDEGDVLHBDT-HNAYVOBHSA-N 355.413 3.311 0 1 FGAF COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2C)cc1 61923301 IWWOQSREGDVSTR-OXJNMPFZSA-N 366.461 3.361 0 3 FGAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C(C)=O)CC2)OCO4 14612192 FPCILIQUFLZBRY-HNNXBMFYSA-N 367.401 3.101 0 1 FGAF biogenic Cc1cc2c(c(C)c1CCOC(=O)Cc1ccccc1)C(=O)[C@H](C)[C@@H]2O 14682742 ZLODSRSPHRSTCG-VFNWGFHPSA-N 352.430 3.498 0 1 FGAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccccc3Cl)[C@H]1C2 73138201 SGENGEOIJHYIQG-UGSOOPFHSA-N 371.824 3.369 0 1 FGAF O=c1cnnc2n1-c1ccc(Oc3ccc(Br)cc3)cc1CC2 40899837 ZUYUAGSSAUXNBF-UHFFFAOYSA-N 370.206 3.281 0 1 FGAF Nc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1 40864506 JOVKHNFLBWQSJT-UHFFFAOYSA-N 369.856 3.285 0 1 FGAF COc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1OC 45301689 QPAUPGQSDSAKRY-UHFFFAOYSA-N 354.410 3.004 0 1 FGAF CC(=O)Cc1nsc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 82052526 VXNSEINEDMCMME-UHFFFAOYSA-N 370.400 3.015 0 1 FGAF CCN1C(=O)N[C@H]2C[C@H](C(=O)N3CCCC3)[C@H](C)[C@H](c3ccccc3)C[C@H]21 199742080 IXBUUXWVBCRFHY-LFZDHENXSA-N 369.509 3.221 0 3 FGAF O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95665340 BKKXQWRMVVQGOO-RTWAWAEBSA-N 368.521 3.018 0 1 FGAF COc1nc(NCCOC(C)=O)nc(Nc2cccc(Cl)c2)c1N=O 95559289 SQESZJHCVPFVDM-UHFFFAOYSA-N 365.777 3.255 0 1 FGAF CC1=Nc2ncnn2[C@@H](c2ccccc2F)/C1=C(\O)OC[C@@H]1CCCO1 618019092 OZZAXODKRPQQIB-BGKQMMJVSA-N 358.373 3.078 0 1 FGAF COC(=O)Nc1nc2cc([S@@](=O)c3c[nH]c4ccccc34)ccc2[nH]1 299825450 MGLKDSMOSYVXCI-RUZDIDTESA-N 354.391 3.389 0 1 FGAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1OC 587809808 JLTGLOVCIBHIEC-MQEKWNBNSA-N 358.251 3.142 0 1 FGAF Oc1cccc([C@@H](O)c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586893391 VXDSDSRECKOYLP-LLVKDONJSA-N 354.591 3.161 0 1 FGAF O=C(c1cccc(O)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607007 GIVIBTZQPNIJHQ-DYESRHJHSA-N 362.337 3.311 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ncccn2)N1 587776337 WQPXFKAFDLXKAQ-MGPLVRAMSA-N 350.235 3.370 0 1 FGAF O=C1CCc2cc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3cc2N1 586913594 NNVRUCDNJYOFLP-UHFFFAOYSA-N 363.417 3.250 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587787624 OZVXTDHBEPHPPI-UHFFFAOYSA-N 365.433 3.397 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccco2)N1 587830730 ULJQMDUHPRMJGX-ANRSDYALSA-N 354.175 3.044 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587738458 OMQSKUDFDDWGMW-UOWDBTKRSA-N 356.214 3.393 0 1 FGAF CCc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1Br 586977973 UJPHRWBWPTVSQS-UHFFFAOYSA-N 351.229 3.339 0 1 FGAF O=C(O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005242 DRDXEZSPPKHJNY-UHFFFAOYSA-N 353.563 3.134 0 1 FGAF O=Cc1sc(F)cc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762360 ITYVKIAACJWRAV-RISCZKNCSA-N 357.328 3.435 0 1 FGAF O=C(O)C1=CN2CCc3cccc(c32)[C@]12NCCc1cc(Cl)ccc12 963390331 HOQXZZDANWBJCV-FQEVSTJZSA-N 352.821 3.074 0 1 FGAF CN(C)c1nc(Cl)c([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963028914 MOJAZWFZJKZVSP-OTYXRUKQSA-N 362.886 3.005 0 1 FGAF CC[C@@H](C)NC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C 5150891 TURQZOLZCFNILM-GFCCVEGCSA-N 353.470 3.358 0 1 FGAF COc1c(OC(C)=O)c(OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c12 13584567 ABZPCCDKOFQHCC-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cc3)c12 169697360 MNFMLSHVWGTKBC-UHFFFAOYSA-N 353.817 3.195 0 1 FGAF CC[C@]12CCCN3CC[C@]4(c5ccc(O)c(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32 2356417273 WSZCASZURIXQMW-AGOPTVSRSA-N 370.493 3.432 0 1 FGAF CCOC(=O)c1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(N)c1 3038709 GFAUIABUPXQSOC-UHFFFAOYSA-N 353.466 3.389 0 3 FGAF CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 103679382 WPCONHJREDAJGX-UHFFFAOYSA-N 373.412 3.462 0 3 FGAF O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100293757 UIZNMIBTZJJCGV-IRXDYDNUSA-N 362.410 3.299 0 1 FGAF COc1ccc(-c2cc(=O)oc3cc(OC)c(OC)c(OC)c23)cc1O 27633248 FPTQGDBBRXHWEG-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF O=C(O)CCCOc1ccc(C(=O)NC2CCCC2)c(Br)c1 29479514 WDYZLXULCGSWGW-UHFFFAOYSA-N 370.243 3.365 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@H]3F)[nH]c2cc1C 2356322751 AOOXTWWNRCUSQZ-CZUORRHYSA-N 360.458 3.375 0 1 FGAF COc1cc(COC(=O)c2cc3ccccc3oc2=O)cc(OC)c1OC 28364627 QXYPAPXWLONFRQ-UHFFFAOYSA-N 370.357 3.176 0 1 FGAF Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 22941456 FMBYZLSHWCEAOV-LJQANCHMSA-N 363.505 3.090 0 1 FGAF COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(OC)CC4)OCO3 26991287 FDXVSIWLGRGQJY-AWEZNQCLSA-N 355.390 3.116 0 1 FGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@@]31C[C@@H](c3ccoc3)OC1=O)OC2 2356655587 HXZOVFHWQXUMMV-ZPQXKXCOSA-N 372.417 3.333 0 1 FGAF CCCCN(C(=O)CC)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356834552 KCKSNOMISPCNHX-HXUWFJFHSA-N 353.466 3.478 0 1 FGAF Cc1[nH]n(-c2ccc(OCc3ccccc3)nn2)c(=O)c1Cc1ccccc1 68196706 PDKXKVWINQAPSI-UHFFFAOYSA-N 372.428 3.434 0 1 FGAF in-vivo CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(C(C)C)c2=O)N1 82207534 VOORNAGZAYXMEO-AWEZNQCLSA-N 368.437 3.153 0 1 FGAF CN(C)Cc1nc2c(sc3ccc(-c4ccc(N)cc4)cc32)c(=O)[nH]1 45284485 GXVGZXNLFFDMQG-UHFFFAOYSA-N 350.447 3.449 0 1 FGAF COC[C@H](Cc1ccccc1)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 82204254 IDMVPNDTZQNEQJ-LNLFQRSKSA-N 370.497 3.068 0 1 FGAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2CCNC(C)=O 82186626 VQLOPECPEXFUQR-UHFFFAOYSA-N 372.498 3.293 0 1 FGAF c1cc(-c2ccncc2)c2nc(Cc3ccc(N4CCOCC4)cc3)nn2c1 96169539 LRGBSIKLMWQHNK-UHFFFAOYSA-N 371.444 3.219 0 1 FGAF CCO[C@@]1(c2ccc(OC)cc2)Sc2ccccc2-n2c1noc2=O 653903341 NFLRTHKJRLAVGF-SFHVURJKSA-N 356.403 3.177 0 1 FGAF COc1nccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587013914 FACHXHGNLUAOND-UHFFFAOYSA-N 361.427 3.115 0 1 FGAF COC(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1OC 587166975 LQGOFLOTISDNOA-MDZDMXLPSA-N 369.352 3.149 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCC(O)CC3)cc1)O2 587393121 GFUVBRCFUDXUPC-HXUWFJFHSA-N 352.434 3.245 0 1 FGAF O=S(=O)(c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1)C(F)(F)F 586895253 VGFKKVRDFYFWBN-UHFFFAOYSA-N 356.325 3.016 0 1 FGAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(N)ccnc4[nH]3)c2)c1 587234263 DJYSAQBZLUCDKJ-UHFFFAOYSA-N 357.417 3.158 0 1 FGAF CC(=O)NC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574575 XLEPCYOTIKALTD-UWJYYQICSA-N 369.417 3.417 0 1 FGAF N=c1[nH]cc2nc(COc3ccc4ccccc4c3Br)nc-2[nH]1 587002016 RPQGYBFIEJNYIJ-UHFFFAOYSA-N 370.210 3.212 0 1 FGAF CN=c1[nH]c(SC)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532097 LBNIOVXKMFRVCG-MRXNPFEDSA-N 355.463 3.247 0 1 FGAF CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl 141948158 FFVWTMWDWUZRSD-UHFFFAOYSA-N 357.834 3.051 0 1 FGAF COc1cc(C(=O)NCc2c(F)cc(F)cc2F)ccc1-c1cn[nH]c1 1772649915 FXDUJKSFLDJRPN-UHFFFAOYSA-N 361.323 3.433 0 1 FGAF CCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)NCCC 12726706 CGVOLAFPMOESFH-UHFFFAOYSA-N 361.467 3.247 0 3 FGAF CCN(CC)Cc1cc(/C=C/S(N)(=O)=O)cc(C(=O)c2ccccc2)c1 13438169 MGKBPLMUAUASJU-ZHACJKMWSA-N 372.490 3.019 0 1 FGAF CC(=O)N1[C@H](c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 13737564 NXJGZRBSYANVNT-HKUYNNGSSA-N 351.431 3.408 0 1 FGAF COc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C 14944706 DVOMFFXZBJHQPZ-UHFFFAOYSA-N 366.425 3.203 0 1 FGAF Cc1c(CC(=O)O)c2ccccc2n1Cc1ccc(S(C)(=O)=O)cc1 201888582 SPFNZISNUPAYKM-UHFFFAOYSA-N 357.431 3.029 0 1 FGAF COc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857562069 DNFNIWNNORGSCF-UHFFFAOYSA-N 360.460 3.110 0 1 FGAF COC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@H]1CC(=O)c1ccccc1 1857654312 XQPGFCYYNVKGAX-CQSZACIVSA-N 357.793 3.432 0 1 FGAF Cc1nnn2c1-c1ccc(C(N)=O)cc1N(c1ccc(Cl)cc1)CC2 1857749787 VQOLNDHLOBZXNA-UHFFFAOYSA-N 353.813 3.158 0 1 FGAF Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)N(C)C)c1nnnn12 1376912 RYDSXQXMPPJVQA-UHFFFAOYSA-N 374.448 3.270 0 3 FGAF CC[C@]12CCN[C@@H]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@H]32 2356313818 CRQDDRSQYNCCIV-MXRLGTIWSA-N 370.493 3.336 0 1 FGAF CC(=O)OC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N(C)[C@@H]1C 100931670 SZVIUNOTCASINP-MHMCFFMISA-N 367.445 3.347 0 1 FGAF Cc1c(Sc2ccccc2)n(COCc2cccs2)c(=O)[nH]c1=O 28124398 LCFLLQOLBAXSJU-UHFFFAOYSA-N 360.460 3.232 0 1 FGAF COc1ccc(CCCO[C@@H]2CCCC[C@H]2N2CCOCC2)c(OC)c1 28653671 QEMFQDJPDPUPBO-WOJBJXKFSA-N 363.498 3.296 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(C2CCCC2)C1 64373417 LFPJNVOQBIQWAA-CYBMUJFWSA-N 355.360 3.370 0 1 FGAF C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)ccc1c2=O 61921283 ZPHQAJLDVIUUCH-LLVKDONJSA-N 359.360 3.482 0 3 FGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2N(C)C 66263370 ZBSOWTXULBZDMS-BTOHRNCKSA-N 357.494 3.369 0 1 FGAF CC(=O)NCc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 27996717 NPEWMGIXJNOZHY-UHFFFAOYSA-N 357.885 3.298 0 1 FGAF CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1 28571517 QSEBFHRZNPGODU-UHFFFAOYSA-N 367.359 3.359 0 1 FGAF CCNC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34801343 YJLVMNYHBPCQKV-GKGVMIHNSA-N 358.526 3.378 0 1 FGAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 36271319 NPUPASYITYXDSJ-HGTKMLMNSA-N 369.246 3.494 0 1 FGAF O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12 49124713 PVAKPKDWHXQJJQ-UHFFFAOYSA-N 353.432 3.386 0 1 FGAF COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O 71295403 NRBRKRZMKXLHTR-UHFFFAOYSA-N 360.417 3.396 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(F)cc1C)C2 225938261 RBXVPABDEDSTLG-GFCCVEGCSA-N 365.412 3.210 0 1 FGAF COc1cc2[nH]cc(Cc3cc(OC)c(OC)c(OC)c3N)c2cc1OC 653918564 XYOKAENLCPLNLV-UHFFFAOYSA-N 372.421 3.384 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(F)c(F)c1 587650427 VHTHKCKYZICAOJ-UHFFFAOYSA-N 364.373 3.410 0 1 FGAF Nc1ccc(-c2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)cc1N 587249318 HDUCHVBZWIMJDU-UHFFFAOYSA-N 373.416 3.266 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1c(OC)cc(OC)cc1OC)[C@@H](C2)C3=O 587445268 YENVCCGMAIDPTP-LHSJRXKWSA-N 370.401 3.384 0 1 FGAF Clc1cc(Cl)cc(CNCCCN=c2[nH]c3cccnc3[nH]2)c1 584904923 JOBYCWUVGFAKEK-UHFFFAOYSA-N 350.253 3.278 0 1 FGAF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(N)=O)c2)N1 587751327 XQYILNHABDKBDY-JDNHERCYSA-N 363.230 3.311 0 1 FGAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccco2)[C@H]1c1ccc(F)cc1 587359817 ZVUOVHUSQXNBNA-PXNSSMCTSA-N 368.316 3.463 0 1 FGAF CC(C)[C@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760993 RXKIEPIOQIVXNW-QFYYESIMSA-N 367.266 3.151 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3n[nH]cc32)N1 587795165 NNQPMRSXUKRICW-XXFAHNHDSA-N 350.235 3.425 0 1 FGAF Cc1[nH]c2cccc(F)c2c1C(=O)CCN1C(=O)c2ccccc2C1=O 587636990 RRTWABLIQPVAQW-UHFFFAOYSA-N 350.349 3.484 0 1 FGAF COc1cc(C(C)=O)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O 587944120 BWIOAMMPTSLIGZ-CQSZACIVSA-N 354.309 3.330 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NC(C)(C)C2)N1 587794299 LVILTYWXYSLXNO-XXFAHNHDSA-N 355.251 3.006 0 1 FGAF O=C(O)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149151 MBPQYSLCPLWHRS-NSHDSACASA-N 371.343 3.055 0 1 FGAF c1cc2c(s1)[C@@H](Cc1nc3ccc(CN4CCOCC4)cc3[nH]1)OCC2 587034460 GEKDXEFSLIDSBE-GOSISDBHSA-N 369.490 3.313 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587115419 NRNYRZBUJPSUKJ-UHFFFAOYSA-N 357.357 3.381 0 1 FGAF C[C@@H](F)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587124798 PCHKNAHUSJGMQP-FBCQKBJTSA-N 351.017 3.446 0 1 FGAF COC(=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354133 UDTQEEGFFIYKAF-YLJYHZDGSA-N 358.365 3.458 0 1 FGAF CC(C)c1nn(C)c(Cl)c1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909189 WEBGIXQKZSEPLQ-XHDPSFHLSA-N 351.809 3.024 0 1 FGAF COc1ccc2c(c1)[C@@](CN1CCNCC1)(C(C)(C)C)N(C(C)C)CC2 962095615 ZHJFEWQJKBHNQL-QFIPXVFZSA-N 359.558 3.108 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963603216 BOTSZXKCGYOAGA-FKIZINRSSA-N 371.433 3.123 0 1 FGAF COC(=O)c1cccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1 210919880 WFRGQGMYQNJCJQ-AWEZNQCLSA-N 365.426 3.224 0 1 FGAF biogenic CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2 169373289 XSCLLXQHZKNMDH-FQLMCAECSA-N 369.246 3.494 0 1 FGAF Cc1ccccc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 167255134 RENDBSLEAOPBLO-IAGOWNOFSA-N 358.445 3.147 0 1 FGAF C[C@H]1CCNC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857759102 XKYMMSSYCNFZDW-WFASDCNBSA-N 373.403 3.237 0 1 FGAF COc1cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc(OC)c1OC 2468468 HBJZWPUJXAUVIO-VLIAUNLRSA-N 370.405 3.482 0 1 FGAF C[C@]12C[C@H](C(=O)O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356413848 LDWIWYPUKHSEMK-PPHASXRISA-N 350.499 3.452 0 1 FGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2Cl)[C@@H]1C 4978032 GZWISLYFTFITLQ-GZBFAFLISA-N 353.846 3.203 0 1 FGAF CCc1nn([C@H](CC)C(=O)NCCC(C)C)c(=O)c2cc3oc(C)cc3n12 6821567 IETZCSVMEUKSIN-CQSZACIVSA-N 372.469 3.226 0 1 FGAF CCCCCC=CC[C@H](O)[C@H](O)[C@@H](O)C=CCC=CCCCC(=O)O 2356306183 GOHNIXDAQODZKP-BJLQDIEVSA-N 354.487 3.353 0 1 FGAF C[C@]1(CC2CCCCC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 2356312692 DNICCXQXGLXWKX-WIYYLYMNSA-N 374.433 3.016 0 1 FGAF O=C1CC[C@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CCN12 27092664 XIMBWYVCWCNCSS-UWJYYQICSA-N 367.880 3.230 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1O 27640026 XEYBRNLFEZDVAW-QIQFKOGQSA-N 352.471 3.251 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2[C@@H](O)C[C@]24C(=O)O[C@H](C)[C@@H]2CC[C@@H]34)C1 2356628629 ZKTGMDBHJUPSRY-FPGOTPQHSA-N 359.510 3.050 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@@H]12 38298811 UEOHDZULNTUKEK-LWSSLDFYSA-N 374.532 3.085 0 1 FGAF endogenous,in-man c1ccc2oc(C3CCN(c4cc(C5CCNCC5)ncn4)CC3)nc2c1 39379916 RJFALNBNEFRGEF-UHFFFAOYSA-N 363.465 3.469 0 1 FGAF O=C(NCc1ccccc1)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1 35569021 XNZKDKOZSYCPBN-UHFFFAOYSA-N 354.797 3.245 0 3 FGAF O=C1c2ccccc2C(=O)N1CCOC(=S)NC1CCCCCCC1 42878176 DXFNGWZOPUQMGL-UHFFFAOYSA-N 360.479 3.287 0 1 FGAF Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2C)o1 82177489 PJYYUODRYOMECM-UHFFFAOYSA-N 350.422 3.377 0 1 FGAF COc1cc2nc(N3CCCC3)nc(NCCCOC(C)C)c2cc1OC 82128929 WLZHKUJIHGSVSQ-UHFFFAOYSA-N 374.485 3.474 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](CC[C@@]52CO)[C@@H]63)CC[C@@H]41 238730642 CXTKTMRFOAAVPA-OMBFXFMUSA-N 371.521 3.005 0 1 FGAF CC(C)c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142074798 LYSUZRSEBDIJBV-VXGBXAGGSA-N 360.418 3.137 0 1 FGAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1F 149835777 YQNLPHPXFUGBHE-CQSZACIVSA-N 350.781 3.179 0 1 FGAF CO[C@@H]1c2ccccc2O[C@H](c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O 238763636 NWSFMWPYMFJSED-VAMGGRTRSA-N 356.374 3.365 0 1 FGAF Cc1cc2c(-c3cccc(O)c3)cnc(NC3CCNCC3)c2nc1O 473136211 ZIUDQFYRAHNONU-UHFFFAOYSA-N 350.422 3.180 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796459 KHTDNVOBKGOILX-FVMDXXJSSA-N 356.235 3.291 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1 587788153 QKHJFVWVXBOTGA-UHFFFAOYSA-N 360.435 3.349 0 1 FGAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(F)c2)c1 587138988 YUCXUQQKYRUSOF-UHFFFAOYSA-N 368.299 3.369 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C 587762484 FOJLCXMSGUDPOT-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF CC(=O)[C@@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990685 NNCCVLXKJDUVSG-QGZVFWFLSA-N 357.365 3.340 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(SC)n1 587869769 OEVQXNQEIPCMBT-UHFFFAOYSA-N 367.356 3.474 0 1 FGAF COC(=O)c1cc(Cl)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 587930305 NXYLIIYYDJJTTI-UHFFFAOYSA-N 358.781 3.437 0 1 FGAF COc1c(F)ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1N 587134223 KMAMCEYETMCJDO-UHFFFAOYSA-N 352.163 3.428 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2N)N1 587727369 BSYKWAXZHBJZGH-WJWGPLDTSA-N 354.198 3.328 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587716916 DZKYAGQXADEPGH-ZBVHDKTDSA-N 362.214 3.239 0 1 FGAF Cc1cc(C)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 586931905 PJAROONLCYRNJL-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF CC[C@]1([C@@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596451 VRAZCDSQTDYXLV-SLSDUTBNSA-N 356.374 3.312 0 1 FGAF COc1cc2c(cc1OC)[C@@H](c1c(OC)cc(O)cc1OC)N(C)[C@@H](C)C2 962627174 KWJCORIXOPXSJQ-QKVFXAPYSA-N 373.449 3.392 0 1 FGAF Cc1ccc2c(c1)[C@]1(CCCO2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529177 VTJLLXACYLCKQM-KKSFZXQISA-N 353.418 3.024 0 1 FGAF COC(=O)c1ncccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962696363 DJDWYHBZZULWKT-ORAYPTAESA-N 372.465 3.460 0 1 FGAF CN1C(=O)[C@H](C(=O)NC(C)(C)C)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 13147526 YFNAOPLKGVKGOK-WFNJMBFTSA-N 356.466 3.052 0 3 FGAF Cc1cc(N2CCc3nc(COc4ccccc4)cn3C2=O)ncc1F 204294589 DLVMZOZLYPKKHN-UHFFFAOYSA-N 352.369 3.335 0 1 FGAF Cc1cccc(C)c1C(=O)NC[C@H](c1cnco1)N1CCC(F)(F)CC1 1857599658 DKVVHGBDOCQCAB-OAHLLOKOSA-N 363.408 3.494 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(F)cc3)CC2)c1 1857638107 NRJISYPJOCXYBH-UHFFFAOYSA-N 358.486 3.352 0 1 FGAF COc1ccc2c(c1)CN(C(=O)c1ccccc1)CC[C@@H]1COC(=O)N21 2356353609 AILJLXZISSJUST-MRXNPFEDSA-N 352.390 3.067 0 1 FGAF CCCCN(CC)C(=O)Cn1ncc2c3ccccc3n(CCC)c2c1=O 6899983 LUTSZHMLGNSILM-UHFFFAOYSA-N 368.481 3.410 0 3 FGAF NC(=O)c1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620978 TZLUKXSHMGHSDJ-PXNSSMCTSA-N 373.456 3.379 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 100395263 BHMBVRSPMRCCGG-UHHGALCXSA-N 352.471 3.251 0 1 FGAF NCc1c(N)nc(N2CCSC2)nc1-c1ccc(Cl)cc1Cl 27181672 NRVLULJXQBZNPM-UHFFFAOYSA-N 356.282 3.002 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 28525899 LBHLXRSCRQWUHK-WEMPKCCASA-N 366.461 3.332 0 1 FGAF CC[C@@H]1C/C=C\Cc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959222 GQHJEOPNYJIXRG-XCCQYBBDSA-N 358.434 3.099 0 3 FGAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C)C[C@H](O)[C@@H](OC)CC1=O 2356561568 AEWXJAHAEHUTIT-ZWOKBUDYSA-N 352.471 3.358 0 1 FGAF C=C(c1cc(Cl)cc(Cl)c1OC[C@@H](O)CNC(C)C)n1ccnc1 34593735 DGLDECLHEGUKMK-AWEZNQCLSA-N 370.280 3.447 0 1 FGAF CCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73141429 IHTLMJFBQAKDKC-UHFFFAOYSA-N 373.478 3.360 0 1 FGAF CCNC(=S)Nc1ccc(NS(C)(=O)=O)c(Oc2ccccc2)c1 43061953 VOXQXJLQLJLJRQ-UHFFFAOYSA-N 365.480 3.157 0 1 FGAF COCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccco2)n1 82142207 JSAGZRPBRQAYTE-UHFFFAOYSA-N 358.442 3.105 0 1 FGAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)cs1 82072835 RKJAHFQWRWYHHG-INIZCTEOSA-N 361.511 3.317 0 1 FGAF CCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82088153 WVFBXJBJGDEEGO-LLVKDONJSA-N 365.886 3.498 0 1 FGAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)c1 621430192 LDKFNPAIJIGJDX-QGZVFWFLSA-N 365.385 3.009 0 1 FGAF CCOC(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587163583 RWQOQFCQXFPRBF-UHFFFAOYSA-N 355.369 3.450 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ncccn23)N1 587772288 FGTSCASZQDFITA-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF Oc1cccc([C@@H](O)c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586889185 FIZGZTRTRUKJRV-LLVKDONJSA-N 354.591 3.161 0 1 FGAF Cc1c(-c2nc3cc(CO)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029002 FBEMUQQVCOHFSZ-UHFFFAOYSA-N 352.419 3.205 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)oc(=O)n3C)CC2=O 587490530 XWCSSEKOQUZTGT-KRWDZBQOSA-N 353.374 3.496 0 1 FGAF Cn1cc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cn1 587517357 LRYCNQDOOKOBTP-LJQANCHMSA-N 360.417 3.462 0 1 FGAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(F)cnc(Br)c3[nH]1)C2 586888788 YKPRCKBZQIMFRC-CIUDSAMLSA-N 350.191 3.498 0 1 FGAF Clc1cnc(Br)c(-c2nc3cc4c(cc3[nH]2)OCO4)n1 587005874 XNVBEERBUNNKHD-UHFFFAOYSA-N 353.563 3.165 0 1 FGAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CN1C 587346646 SGIWEWUAHPFWFF-FPOVZHCZSA-N 367.376 3.047 0 1 FGAF Cc1cc(Br)cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c12 587256455 JCKPMODREQXOHN-LLVKDONJSA-N 368.275 3.235 0 1 FGAF CCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658406 PKCGNARETLASHH-UHFFFAOYSA-N 359.401 3.474 0 1 FGAF COc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196755 BJSXPMXOPBNBPV-CQSZACIVSA-N 361.442 3.488 0 1 FGAF COc1cc2c(cc1OC)C1(CN(Cc3ccccc3)C1)N(C)[C@H](C)C2 962640726 WZENJSHMODFMMY-MRXNPFEDSA-N 352.478 3.291 0 1 FGAF Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)s1 12590998 CVHZQSCPSRQTTB-MRXNPFEDSA-N 374.481 3.293 0 3 FGAF O[C@H](Cn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1ccccc1 13682921 SFGAMNQLEHIRJT-GOSISDBHSA-N 363.396 3.311 0 1 FGAF O=C1Cc2cc([C@@H](O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1 13888299 JZAYUGIZPPLLGT-NRFANRHFSA-N 368.452 3.308 0 1 FGAF CC(=O)O[C@H](Cc1cc2cc3ccoc3cc2oc1=O)C(C)(C)OC(C)=O 15150241 CRCYUDOXNBBJNS-GOSISDBHSA-N 372.373 3.355 0 1 FGAF biogenic CCOC(=O)/C=C1\Nc2ccccc2C(c2ccccc2)=N[C@H]1OC(C)=O 17211291 LKDIZNMGBIVARU-UHWDDTASSA-N 364.401 3.286 0 1 FGAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1cccnc1)CCCC3 169686321 QKASVMQQXRDCAW-SJORKVTESA-N 364.449 3.355 0 1 FGAF O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccncc2)cs1 165722274 UWHKOSQHEXFMPU-UHFFFAOYSA-N 355.379 3.435 0 1 FGAF C[C@@H](NC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O)c1ccccc1 1857563275 BQCVEXQQKDSHBO-CQSZACIVSA-N 359.429 3.239 0 1 FGAF CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2C(C)(C)C)CC1 6769827 LOQWQHBNPPKSBB-UHFFFAOYSA-N 351.447 3.451 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1O 103205799 PNNNUHUHKIJMHR-VXGBXAGGSA-N 357.781 3.404 0 1 FGAF COc1ccc2c(c1)nc1n2[C@H](CNC(=O)c2ccc(Cl)cc2)COC1 2356301946 IKHOTJHSPNUIFC-CQSZACIVSA-N 371.824 3.200 0 1 FGAF CN(Cc1ccccc1)c1nc(=O)nc(Nc2ccc3scnc3c2)[nH]1 28106485 VMRHPZPEPRKOPG-UHFFFAOYSA-N 364.434 3.155 0 1 FGAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccn3)cc2)C1 61926080 YTNOXFFWGVCSRB-JOCHJYFZSA-N 367.493 3.113 0 3 FGAF COc1ccc(NC(=O)[C@]2(C)CCN2CCOc2ccccc2)cc1OC 61896622 FKFHKVOIAPITHG-NRFANRHFSA-N 370.449 3.186 0 3 FGAF COc1ccc(-n2c3cssc-3c(NC(C)=O)c2=O)c(OC)c1 28714458 RXCNBXIIJFTOBZ-UHFFFAOYSA-N 350.421 3.041 0 1 FGAF COc1ccc([C@@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259676 YZCPEPBZYIZWJR-SGTLLEGYSA-N 357.406 3.445 0 1 FGAF CCCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 34875817 VMBIBWHPLPIGJF-HXUWFJFHSA-N 373.403 3.480 0 1 FGAF NC(=O)c1ccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1 72102258 XXGCSAYAFWRPDV-LJQANCHMSA-N 356.784 3.257 0 1 FGAF O=C(OCCF)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Br)cc1)N2 36271431 VLIANQRCIMWNHF-APIJFGDWSA-N 356.235 3.186 0 1 FGAF COc1cc(C(=O)c2ncc(-c3ccc(O)cc3)[nH]2)cc(OC)c1OC 95582381 PSJNEKCUJPTOKZ-UHFFFAOYSA-N 354.362 3.039 0 1 FGAF COc1ccc2c(c1OC)Oc1c3c(cc4ccnc(c14)[C@H]2O)OCO3 36463519 NNOMRFJKIIXQII-HNNXBMFYSA-N 353.330 3.168 0 1 FGAF biogenic CCOc1ccc(OCC)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587779077 XHNRQAAUBPDZDT-UHFFFAOYSA-N 360.435 3.431 0 1 FGAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cn1 587124658 NTSQKXJIFKZQEW-WRWORJQWSA-N 352.320 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(C)cc4)nn1)[C@@H](C2)C3=O 587439709 WILFBRDZSXPMDO-HRAATJIYSA-N 361.401 3.132 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Br)cc1CCC3 587367339 WFHPLZYDZGWZBC-UHFFFAOYSA-N 358.195 3.354 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 586946290 JAXSRKMDULRZMM-UHFFFAOYSA-N 363.870 3.218 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4oc(C)c(C(=O)O)c41)[C@@H](C2)C3=O 587455715 POVNLXNVFYGRKX-FKIZINRSSA-N 354.358 3.274 0 1 FGAF Cc1noc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590414 ZYMQLALHGHCAPI-VQIMIIECSA-N 352.346 3.047 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCc1ccco1)CC2=O 587469500 ITZAKVDBBRBUHN-FQEVSTJZSA-N 357.406 3.368 0 1 FGAF N=c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2c[nH]1 586977176 VLQXZCQTDXWLLS-UHFFFAOYSA-N 353.607 3.365 0 1 FGAF COC(=O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085281 QJYRRKPINBHFPQ-UHFFFAOYSA-N 371.828 3.177 0 1 FGAF O=S(=O)(/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1 586925168 WRRLZGXAUYSZRL-JXMROGBWSA-N 368.393 3.332 0 1 FGAF Fc1ccc(-c2cnn(Cc3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1 587165377 SZBJVXMXGHZKDX-UHFFFAOYSA-N 350.353 3.385 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)c(F)c1)[C@@H](C2)C3=O 587427244 RHNOXTDJQRFTDX-YCRPNKLZSA-N 369.392 3.160 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccc(N)cc1)[C@@H](C2)C3=O 587431548 HBRFFYHFQGQPGA-PGRDOPGGSA-N 358.397 3.364 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOc4c(OC)cc(C)cc41)[C@@H](C2)C3=O 587452775 LAXSRDKAOPONMH-LHSJRXKWSA-N 352.386 3.438 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)OCC)c1cnccn1 963224943 FDBSSRZQTAZTIK-IERDGZPVSA-N 353.466 3.330 0 1 FGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc3cccnc3c2)N1 963228710 IHSHTBBRHZIIQL-NHCUHLMSSA-N 355.397 3.471 0 1 FGAF COc1cc(C(=O)NCc2c(F)ccc(F)c2F)ccc1-c1cn[nH]c1 1772631337 NSFLMMYRDFGKMW-UHFFFAOYSA-N 361.323 3.433 0 1 FGAF c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc3c(c2)OCCO3)nc1 11874687 PPMYTPDSHCAKDO-QGZVFWFLSA-N 362.433 3.206 0 1 FGAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccncn4)nn23)cc1 13559990 HOQUSTXYXSUJDG-UHFFFAOYSA-N 354.373 3.314 0 1 FGAF CCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681948 ZQUXDOJBDFPTDM-BGJLUCPFSA-N 357.494 3.362 0 1 FGAF Cc1c(C(=O)c2cccc(N)c2)c2ccccc2n1CCN1CCOCC1 13820982 PQAXTZMUDVIKCC-UHFFFAOYSA-N 363.461 3.095 0 1 FGAF COc1cc(OC)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 169351453 MZCVJPMLDSTTJA-AWEZNQCLSA-N 369.805 3.065 0 1 FGAF CC1=NC(=O)N[C@H](c2ccccc2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169687132 ZWWJSOLJZFTWCL-ZWKOTPCHSA-N 366.373 3.000 0 1 FGAF O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 169699713 NBHZRTPTDVODBZ-UHFFFAOYSA-N 361.397 3.497 0 1 FGAF C[C@@H]1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206154353 HXHONJOGHINXKL-GFCCVEGCSA-N 374.491 3.481 0 1 FGAF C[C@H](NC(=O)Cn1ncc2c(Cl)cccc21)c1ccc2c(c1)OCCO2 6768334 XDNFRDFKDACMCS-LBPRGKRZSA-N 371.824 3.338 0 1 FGAF Oc1ccc(-c2ccn[nH]2)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 58639130 DZNFGQDAMCNMLC-AWEZNQCLSA-N 372.432 3.166 0 1 FGAF in-vitro CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCCCC3)cn12 61895565 SZPPAEDUCDBWQI-UHFFFAOYSA-N 356.470 3.422 0 3 FGAF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)C2=C1[C@H](C)C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C2 2356484732 GDSQXEJVFDDBEU-CQKJEBCFSA-N 350.455 3.003 0 1 FGAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@H](C)[C@H](O)C=C2 2356608513 RCIOEOWZSQVXEU-IAQYHMDHSA-N 360.406 3.104 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356874404 YVTRTWJBTSGZJW-XGHDSRBHSA-N 357.498 3.224 0 1 FGAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(N)cc2)NC(=O)N1 73296717 JGKPOCPXFYHFQO-SFHVURJKSA-N 357.454 3.410 0 1 FGAF CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1 84635591 GPKVJDHCOANGQT-UHFFFAOYSA-N 360.414 3.170 0 1 FGAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 254047928 SWMLFRMOWVYIDT-ZSIIAOFPSA-N 362.510 3.135 0 3 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)N[C@H](CO)CC(C)C 36367712 BUWYGYAYWANLSX-RLLQIKCJSA-N 374.525 3.088 0 1 FGAF biogenic O=S(=O)(/C=C/c1nc2cc(Br)cnc2[nH]1)c1ccccc1 586924073 GLZJXPZTJFDHNV-VOTSOKGWSA-N 364.224 3.165 0 1 FGAF Cc1ncncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587778693 OKDKCPQTMFAFKE-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF Clc1ncc(-c2nc3cc(I)cnc3[nH]2)s1 587024019 ZLJPQIZYOXISEJ-UHFFFAOYSA-N 362.583 3.339 0 1 FGAF CCOC(=O)C[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598770 VGSAXUHONLRKAE-YLJYHZDGSA-N 356.374 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4cnn(C)c4)cs1)[C@@H](C2)C3=O 587451365 NPRPUPGWBCAHQH-YVEFUNNKSA-N 353.403 3.041 0 1 FGAF c1cc2c(s1)[C@H](Cc1nc3ccc(CN4CCOCC4)cc3[nH]1)OCC2 587034462 GEKDXEFSLIDSBE-SFHVURJKSA-N 369.490 3.313 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ncc2[nH]1 587193962 KAEUWWRCSVTGFP-JTQLQIEISA-N 353.854 3.129 0 1 FGAF Clc1cc2nc(-c3cncc(I)c3)[nH]c2cn1 587185785 XOHNEKNDWYJVSI-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF N=C(N)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167644 PLKARVUHMMPMBW-INIZCTEOSA-N 366.400 3.355 0 1 FGAF O=C(NCCc1nc2cc(C(F)(F)F)ncc2[nH]1)OCc1ccccc1 587227846 AILVGBIIFYTWNF-UHFFFAOYSA-N 364.327 3.446 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596147 UVKJTXCKIQKNLU-CBLJQSSYSA-N 354.358 3.066 0 1 FGAF CCC(C)(C)c1ccc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587565821 UQWXQOBALOWCSS-UHFFFAOYSA-N 373.478 3.477 0 1 FGAF CCC(=O)C[C@@]1(CC)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703985 TYZHLVZUJXHZJX-GDBMZVCRSA-N 361.335 3.418 0 1 FGAF CN1CCC[C@@]2(C1)NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962957167 MUGQGUGKWIWOBL-SFHVURJKSA-N 354.416 3.278 0 1 FGAF CC(C)Cn1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962960461 GMLCQYCTNNYNLN-BBRMVZONSA-N 369.799 3.159 0 1 FGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C)n3)C2)cc1 1772572152 NUYQZBNQGGDLBF-RDTXWAMCSA-N 371.456 3.426 0 1 FGAF NC(=O)c1c(F)ccc(OCCCOc2cccc3cccnc23)c1F 1772652258 FEGAGSOIVQTQGV-UHFFFAOYSA-N 358.344 3.460 0 1 FGAF CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)CC1 12454464 UZXPAJZQTKEMAA-MRXNPFEDSA-N 374.481 3.211 0 3 FGAF CCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706985 UDZKOEISEILGCB-QGZVFWFLSA-N 374.444 3.176 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2c(F)cccc2F)nn1 203462474 JELPVBOLJWLDME-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF Cn1cc(-c2c[nH]c3ncc(F)cc23)nc(NCCc2cccs2)c1=O 1857616231 BHJXRJSJSWLNLR-UHFFFAOYSA-N 369.425 3.179 0 1 FGAF O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3)ccc12 113583318 OWHUUJZBNSHXSC-UHFFFAOYSA-N 361.441 3.287 0 1 FGAF N=C(N)c1ccc(CCCCC(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 1534654 FGNCAMBILXYPFJ-SFHVURJKSA-N 367.449 3.016 0 1 FGAF COc1ccc2c(S(=O)(=O)c3ccccc3)cn(CCN(C)C)c2c1 3927134 OCODFQSTQZRWLI-UHFFFAOYSA-N 358.463 3.044 0 1 FGAF CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1 4161415 FCARQLNDGDADBD-UHFFFAOYSA-N 372.454 3.167 0 3 FGAF Cc1ccc(-n2nc(C)c3c(C(=O)NCCc4c[nH]cn4)cc(C)nc32)cc1 6772885 DYUIOZWIQNHZOE-UHFFFAOYSA-N 374.448 3.041 0 1 FGAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1N 26727348 QLBDCFRONCLXTR-MRXNPFEDSA-N 353.466 3.101 0 1 FGAF Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)[C@H]2CC[C@H]4C2)no1 101011565 LKBAKHFUNDDERC-STQMWFEESA-N 374.404 3.426 0 1 FGAF CCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccccc1C(=O)O 28761249 MICPAJNYPMGISZ-UHFFFAOYSA-N 350.802 3.253 0 1 FGAF O=C1c2ccccc2[C@@](O)(c2ccc(F)cc2)C2=NC3(CCCC3)CN12 27077667 MYIGLGUZQFHOHW-NRFANRHFSA-N 350.393 3.242 0 1 FGAF COC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccccc2)CC1 28635293 UNOGZCNQPVUIQG-NFBKMPQASA-N 365.473 3.101 0 1 FGAF Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CCN(CCO)CC1 28246396 NPYHEUJPEALJES-OAQYLSRUSA-N 357.498 3.114 0 1 FGAF C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@@H](O)c1cccc(Cl)c1 26377894 PBKVLEACLGKCJH-IAQYHMDHSA-N 368.886 3.068 0 1 FGAF O=C(O)CCC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCCO 2356712099 PTJFJXLGRSTECQ-OALUTQOASA-N 352.471 3.131 0 1 FGAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@@H](c1ccccc1)[C@H](O)C2=O 14762734 UQWHUIAIZPLDDZ-MOPGFXCFSA-N 370.401 3.292 0 1 FGAF biogenic CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccc(F)cc2)n1 82139383 DEURNTFWYKLVLS-CYBMUJFWSA-N 360.433 3.259 0 1 FGAF CCCCCNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O 82186923 CVPUNJKZOMYYPS-UHFFFAOYSA-N 370.501 3.318 0 1 FGAF CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209703 RQAPIOKIMRYROG-QGZVFWFLSA-N 370.497 3.283 0 1 FGAF CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1ccc(OC)cc1 199725041 BWVBJXYZLIEXKA-UHFFFAOYSA-N 360.479 3.357 0 3 FGAF O=C(/N=c1\sccn1Cc1ccc(Cl)nc1)c1ccc(Cl)nc1 40952973 LBZCWBWGZRRKSR-HKWRFOASSA-N 365.245 3.436 0 1 FGAF CCOC(=O)/C(=C/I)[C@H](O)c1ccccc1Cl 299830557 IOIAAHMENGXUPI-MXMFLMJRSA-N 366.582 3.255 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1 587225061 MTSMTVLHRRKDPM-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF C=CN1CCCC[C@@H]([C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396593 UKTYVBJUVNNABU-IERDGZPVSA-N 354.450 3.463 0 1 FGAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587402434 CPMBYDHBQFDZIC-XUSGNXJCSA-N 367.401 3.409 0 1 FGAF Oc1cccc(CCc2nc3cc(I)cnc3[nH]2)c1 586896383 CWXHHWHDEQXCEK-UHFFFAOYSA-N 365.174 3.053 0 1 FGAF COc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118042 IOHBSCQTUHRMKU-UHFFFAOYSA-N 363.299 3.490 0 1 FGAF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587650396 KSLMGSAJXCWSRU-UHFFFAOYSA-N 352.456 3.159 0 1 FGAF CCOC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592523 ADGGBVFTOFJHTF-JXFKEZNVSA-N 356.374 3.312 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NC(C)(C)C2)N1 587789222 AMESTDZZJOBYJU-JDNHERCYSA-N 355.251 3.006 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(/C(=C/N(C)C)C(=O)OCC)CC2=O 587470385 TWQYZXXONPZTGX-IURSYISVSA-N 361.438 3.077 0 1 FGAF COc1cccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587092895 BNCTZLCCVZERNM-CQSZACIVSA-N 357.357 3.329 0 1 FGAF Cc1c(F)ccc2c1[C@@]1(CC[C@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962095324 WUBQISBLJXVPSB-NYHFZMIOSA-N 364.420 3.324 0 1 FGAF O=CNc1ccc2c(c1)[C@]1(NCCc3nc4ccccn4c31)c1ccccc1-2 962988202 XGCGXMDZBGVKHF-HSZRJFAPSA-N 366.424 3.321 0 1 FGAF COc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146583704 TVFQMRCHDYLPNH-UHFFFAOYSA-N 359.769 3.207 0 1 FGAF COc1ccc2c(c1)C[C@H](CCN1CCN(c3ccccn3)CC1)CC2 13470688 MQYILSGYILZXMS-SFHVURJKSA-N 351.494 3.407 0 1 FGAF O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)nnn1Cc1ccccc1 1857631756 UHUYUGANTDDPEB-UHFFFAOYSA-N 362.311 3.303 0 1 FGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@@H](O)[C@H](C)C(=O)OC 2356349894 PZMGZXATJGSIDQ-GPDUBVANSA-N 370.530 3.377 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cccc(C)c3)CN1CC2 6733237 RQVOZSFAHBOBFK-AQNXPRMDSA-N 352.478 3.426 0 1 FGAF CC(=O)OCC[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2CC(C)(C)C[C@H]21 2356284222 SKPUHXLYHIKKLH-BFMVXSJESA-N 368.470 3.265 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H](O)[C@@H]2CCC1=CCOC1=O 26577376 XTKHJBOSUKYGFX-DAELLWKTSA-N 350.455 3.006 0 1 FGAF CC1(C)OC(=O)C(OC2CCCCC2)=C1c1ccc(S(C)(=O)=O)cc1 26291653 XJWSIWJICISLID-UHFFFAOYSA-N 364.463 3.486 0 1 FGAF CC(CO)=C1CC[C@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@@H]1CCC(=O)O 14693568 OCOLGWGUVNBXLA-DGELGTTISA-N 362.422 3.474 0 1 FGAF biogenic CC1(C)Oc2c(O)cc(O)c3c2[C@H]1Cc1c-3oc2cc(O)cc(O)c2c1=O 13373251 SISHCMQQUDFHIG-SECBINFHSA-N 368.341 3.093 0 1 FGAF biogenic,in-vitro COc1cccc(NC(=O)C[C@]2(C)N=C(c3cccc(OC)c3)N(C)O2)c1 74374025 IUPWVMLWZHLOKX-HXUWFJFHSA-N 369.421 3.072 0 3 FGAF CC[C@H](C)C(=O)OC[C@@H]1O[C@@H]1c1ccc(OC(=O)C(C)C)c(OC)c1 15156628 PSKGEGCPRNMROV-AFAVFJNCSA-N 350.411 3.286 0 1 FGAF biogenic CS(=O)(=O)c1ccc([C@H]2SCCC(=O)N2Cc2ccccc2)cc1 71296094 USOQSXIGNMPKGV-GOSISDBHSA-N 361.488 3.254 0 1 FGAF O=C(c1nc2c(N3CCNCC3)cccc2[nH]1)c1cccc2ccccc12 45245825 YOHBTWUHPBXBAS-UHFFFAOYSA-N 356.429 3.357 0 1 FGAF O=C1C=CC(=O)N1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 45285470 ZPDXLBXPIDCOCO-UHFFFAOYSA-N 370.817 3.394 0 1 FGAF COc1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)cc(OC)c1OC 40422585 YTFRDKYCZHOSMM-UHFFFAOYSA-N 364.401 3.234 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccncc3)C2)O1 96018807 DUUOROSHSCNXGC-FPOVZHCZSA-N 359.514 3.244 0 3 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(Br)n12 147784366 OIDRICYLZQIREO-UHFFFAOYSA-N 369.222 3.049 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3c(cc2[nH]1)OCO3 587038071 CIWHOPBDTFMGPU-UHFFFAOYSA-N 361.383 3.157 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587784021 CVICOZZAGJSULH-CHWSQXEVSA-N 354.337 3.344 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587230925 JVASGKAZXXJCHC-KGLIPLIRSA-N 358.486 3.292 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cn2)OCO3)N1 587779400 RVVVZBIKAHQTGU-PWJLMRLQSA-N 365.202 3.336 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1O[C@H](C)C(=O)O)[C@@H](C2)C3=O 587438763 HRUYRIOTGNIKDI-UOTLPGLASA-N 354.358 3.036 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(F)cc2)N1 587736896 VCHBGKOWUJVGOO-DYZYQPBXSA-N 368.221 3.497 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(CC(=O)O)c2c1 587650310 RNDGHNLRCWKCLF-UHFFFAOYSA-N 365.357 3.144 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116331 DRESTGPMOLSACY-UHFFFAOYSA-N 371.750 3.337 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(C[C@@H](O)c1ccccn1)N(C)[C@H](C)C2 962642447 VBUSNCPHJLFZSO-IQVOZAENSA-N 356.466 3.314 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]nc3-c3cccs3)c3cccc1c32 963032914 VRNMJBKZSSNJHI-VOJFVSQTSA-N 350.447 3.281 0 1 FGAF CN1CCN(c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)CC1 13644338 VNUJLXFUNRPPGM-UHFFFAOYSA-N 374.488 3.259 0 1 FGAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCc2[nH]cnc2C1)CCC3 13817866 AECKIVMAUDSDRJ-OAQYLSRUSA-N 350.466 3.165 0 1 FGAF Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)c(Cl)cc3n(O)c21 14959816 HJIDQTMKQDNUPS-UHFFFAOYSA-N 352.099 3.451 0 1 FGAF CN(C)CCCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 169318082 IJSIBXVLNRATNY-GGAORHGYSA-N 366.505 3.031 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2O[C@H]([C@H]3O[C@@H]23)[C@@H]1C/C=C\CCCC(=O)O 169342513 UHWPQNIXJFNMHO-WHDARKBPSA-N 364.482 3.466 0 1 FGAF C[C@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1 4931211 CTTKNIPPKRMJQS-HNNXBMFYSA-N 371.868 3.455 0 1 FGAF CC1=C(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C2(CCCCC2)OC1=O 6772451 UNDWJBNJCSAUOL-CQSZACIVSA-N 371.433 3.211 0 1 FGAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NCC(F)(F)F)cc1 61925819 QLPIBYQFKGTVML-KRWDZBQOSA-N 356.388 3.267 0 3 FGAF COc1cc(NS(=O)(=O)c2cccs2)ccc1-n1cnc(Cl)c1 103235444 KVENMFCUXORKPO-UHFFFAOYSA-N 369.855 3.397 0 1 FGAF COc1c(C2([C@H]3COC(=O)C3)SCCCS2)ccc2c1OCO2 26255894 FIOJPLWNLNVKBA-SNVBAGLBSA-N 354.449 3.010 0 1 FGAF COCCOc1ccc2oc(-c3cc4cccn4cn3)c/c(=N\O)c2c1 117382873 UAPQZSLRWRGQMX-LTGZKZEYSA-N 351.362 3.063 0 1 FGAF Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2 62241949 SHBXAJXKKQHYFU-UHFFFAOYSA-N 360.385 3.323 0 1 FGAF C[C@@]12CCC[C@@]3(C)CO[C@@](O)(C(=O)c4cc5c(O)ccc(O)c5cc41)[C@H]23 2356627600 OBXVUUWPKYYYBL-BURNTYAHSA-N 354.402 3.230 0 1 FGAF C=CCC1=C[C@](OC)([C@H](C)C(=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15212917 WYVJMGLRFFOZES-ASSNKEHSSA-N 370.401 3.235 0 1 FGAF biogenic Cc1cccc(C)c1NC(=S)OCCN1C(=O)c2ccccc2C1=O 45495872 HXLDUIDFKBCSDG-UHFFFAOYSA-N 354.431 3.313 0 1 FGAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072968 UNVAXRCSAVLIGW-MRXNPFEDSA-N 357.479 3.331 0 1 FGAF CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 40413296 UUUXPUGZNDRYSV-GCKMJXCFSA-N 370.401 3.164 0 1 FGAF biogenic,in-vivo O=C(N[C@H](Cc1ccccc1)C(=O)O)c1nc(Cl)c2ccccc2c1O 95591013 QZRXYSFKUSQNIL-CQSZACIVSA-N 370.792 3.020 0 1 FGAF C[C@H]1S[C@H](c2ccc(S(C)(=O)=O)cc2)N(Cc2ccccc2)C1=O 98084299 NLQDMVIWLORNET-FZKQIMNGSA-N 361.488 3.253 0 1 FGAF COC[C@H](C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653785899 JWMPCMACOTWDKX-ZDUSSCGKSA-N 367.405 3.074 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccccn1)[C@@H](C2)C3=O 587430902 WQYQQJGEDJJLND-RGPVVRIDSA-N 350.418 3.199 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(OC)c1)(C(=O)O)CC2=O 587483111 VDWVOVHUUJARBU-OAQYLSRUSA-N 370.401 3.385 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]nc3ncccc23)N1 587792202 HDGYDZXQTNFYNZ-CLAHSXSESA-N 361.218 3.483 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1nccn1C)CC2=O 587470552 LAKTYUHPAONDSQ-OAQYLSRUSA-N 363.417 3.382 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)cc4[nH]c(=N)oc14)[C@@H](C2)C3=O 587434646 XROFOIKYRVEYLL-YUNKPMOVSA-N 350.374 3.220 0 1 FGAF COCn1ncc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582060 NLOQNDPZBXUZPZ-OXQOHEQNSA-N 366.373 3.204 0 1 FGAF COc1ccc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(F)c1 587148208 FIYOVXOMEQMXOH-UHFFFAOYSA-N 366.396 3.057 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OC(C)=O)[C@@H](C2)C3=O 587441838 HWZPGLWULYXXPO-LIRRHRJNSA-N 354.358 3.118 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586884868 JNJJZXJUCZWSCN-ZDUSSCGKSA-N 363.483 3.258 0 1 FGAF O=S(=O)(/C=C/c1nc2ccnc(Br)c2[nH]1)c1ccccc1 586924248 NBKURCOMBGXXDO-VQHVLOKHSA-N 364.224 3.165 0 1 FGAF Nc1ccnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587001655 OUUVQEVAIJPBLT-OWOJBTEDSA-N 373.210 3.244 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4ccc(CO)cc4[nH]3)n2C)cc1 586965789 QWZZCGWZUKVMQZ-UHFFFAOYSA-N 365.462 3.451 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CCN(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428627 LDNLZQNBHCLVPB-XOBRGWDASA-N 361.438 3.458 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587453295 RIJWXCZRKFJDEY-FVMDXXJSSA-N 350.779 3.138 0 1 FGAF O=Cc1sc(F)cc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762356 ITYVKIAACJWRAV-BXUZGUMPSA-N 357.328 3.435 0 1 FGAF Cc1nc(NC[C@H]2CCCO2)sc1[C@]1(C)NCCc2ccc(O)cc21 963340424 GWBLEBUGNQLCJD-DNVCBOLYSA-N 359.495 3.157 0 1 FGAF CCc1ncc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)s1 962966877 AZYBVNDJBDYFIE-LKFCYVNXSA-N 358.797 3.325 0 1 FGAF Cc1ccc(C)c2c1OCC[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230993 RJCWYMYPIAKKNO-XXBNENTESA-N 374.440 3.477 0 1 FGAF O=c1c2c[nH]c3cc(Br)ccc3c-2nn1-c1ccc(O)cc1 1772628019 YSBCROZJLFWBFA-UHFFFAOYSA-N 356.179 3.287 0 1 FGAF CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 5218023 FPUHKQMDWMVBRI-PHKAQXKASA-N 368.477 3.264 0 3 FGAF CC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ncccn4)c3O2)cc1 11974751 DWLVUUKIGYNSHT-SFHVURJKSA-N 373.412 3.080 0 1 FGAF CCCN(CCC)c1nc(N)nc2c1N[C@H](c1ccc(OC)cc1)CN2 13474491 QRWBKJRYFMHWON-HNNXBMFYSA-N 356.474 3.273 0 1 FGAF COC(=O)C1=CCC[C@H]2[C@@]34C[C@H](c5ccoc5)O[C@H]3O[C@@H](O)[C@@]12CC[C@@H]4C 169336335 FTIIWSAYPGBNDS-ISZXVOLMSA-N 374.433 3.328 0 1 FGAF COc1cccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 205217174 PVQZAJSFNVZNLO-CJNGLKHVSA-N 374.799 3.363 0 3 FGAF CN(C(=O)c1sc2nc(-c3cccs3)ccc2c1N)C1CCNCC1 1857537374 VXNSBABGCHSLNH-UHFFFAOYSA-N 372.519 3.431 0 1 FGAF Cc1ccccc1-n1cc(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cn1 1857549128 ZWTVTWYFXGIJFS-UHFFFAOYSA-N 374.444 3.003 0 1 FGAF COC(=O)[C@]1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]21 1857749468 JMINEJDZAUIXDH-MBKYBOTFSA-N 362.466 3.164 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(Cl)c1)OCO3 1857765415 MFKSWVWPHPQLQF-INIZCTEOSA-N 373.792 3.326 0 1 FGAF Cc1c(NC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)oc2ccccc12 1911571951 IJICLGVXBRSSQX-UHFFFAOYSA-N 367.361 3.200 0 1 FGAF C[C@H]1C=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccco3)C(=O)[C@H]12 100950837 ZRHJLBYNKUTUBP-GDZNZVCISA-N 351.358 3.200 0 1 FGAF COC(=O)[C@H]1[C@H](OC(=O)c2ccc3ccccc3c2)C[C@H]2CC[C@H]1N2C 101113018 OQQMHQMVUOHAAR-NCXUSEDFSA-N 353.418 3.021 0 1 FGAF CN1CCc2c(sc(-n3cccc3)c2CNC(=O)NCc2ccco2)C1 9963682 HLCRDKOHIXJKKV-UHFFFAOYSA-N 370.478 3.119 0 1 FGAF COC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1 103230062 GWBGBLOPQXIUBN-WEVVVXLNSA-N 355.777 3.256 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(OC)cc1 62224631 AAMMZLOLLOENJZ-GOSISDBHSA-N 373.449 3.445 0 1 FGAF c1cc(OCCCc2nnn[nH]2)cc(OCc2cc3ccccc3cn2)c1 34335609 CAYSUEBRIJHKLP-UHFFFAOYSA-N 361.405 3.339 0 1 FGAF CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 35259176 ILUNVYWPNLVBNV-UHFFFAOYSA-N 354.454 3.500 0 1 FGAF COc1c(OC[C@@H]2O[C@]2(C)C[C@@H](O)C=C(C)C)ccc2ccc(=O)oc12 13481625 NUKZWBOOWJIMRV-DKICVRJWSA-N 360.406 3.055 0 1 FGAF biogenic O=C(Nc1ccccc1Cl)c1cnn2ccc(N3CCOCC3)cc12 49113885 PSCACEQSPGJTBE-UHFFFAOYSA-N 356.813 3.077 0 1 FGAF Cc1ncccc1-n1c(/C=C/[C@@H]2CS[C@@H](C)N2)nc2ccccc2c1=O 89456638 WBWAZJZTZKCTRD-LWLVDVGCSA-N 364.474 3.153 0 1 FGAF C[C@@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 49938535 SSEQCILHYYXXBA-NSPYISDASA-N 369.852 3.348 0 1 FGAF COc1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 95559464 IABIHFIXBRDJEJ-UHFFFAOYSA-N 361.405 3.137 0 1 FGAF CC1=Nc2ncnn2[C@@H](c2ccccc2F)/C1=C(\O)OC[C@H]1CCCO1 618019095 OZZAXODKRPQQIB-NMJVSLPBSA-N 358.373 3.078 0 1 FGAF Cc1noc(C)c1-c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)O)c1 263620410 FFWKFJNEMDSJKS-UHFFFAOYSA-N 372.402 3.457 0 1 FGAF in-vitro CC1=C(c2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)NNC(=O)C1 587031686 KYOKDDAJKSRTDO-UHFFFAOYSA-N 366.446 3.120 0 1 FGAF c1ccc(Cn2c(SCc3nc4ncc[nH]c-4n3)nnc2C2CC2)cc1 586966111 FVWJOZUTCJVAKK-UHFFFAOYSA-N 363.450 3.114 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177225 DBCNLUCSOZESLS-UHFFFAOYSA-N 368.412 3.470 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)c(F)c1)O2 587384623 GKIUCPGFKSLEIG-FQEVSTJZSA-N 369.440 3.175 0 1 FGAF C[C@H](CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)CC(=O)O 587960049 DXRHYLZMEXODNL-SSDOTTSWSA-N 355.188 3.067 0 1 FGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587794511 VLDBZIKGUBFRHC-ANRSDYALSA-N 367.218 3.327 0 1 FGAF Nc1ccnc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc12 587258700 QZLKUXDEEDPMRG-INIZCTEOSA-N 360.421 3.112 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437988 MPFOIGVLHOCXJN-KQYVJACZSA-N 359.422 3.068 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCC(=O)O 587398831 FKUWUAYJXCNZGK-QGZVFWFLSA-N 371.389 3.146 0 1 FGAF Cc1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024317 UXRURVYYKTXTOJ-UHFFFAOYSA-N 364.434 3.356 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CO)cc4[nH]3)cc2N1 587123281 HIWNCXSOMGRBNL-SDBXPKJASA-N 351.332 3.226 0 1 FGAF CC1=C[C@]2(CC(=O)N1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337492 BAOUEXBNARJYOO-TZIWHRDSSA-N 367.376 3.395 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cccnc3n2)N1 587776555 XYDWZSFOQNRZNB-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF COC(=O)[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596146 UVKJTXCKIQKNLU-BXJCWQANSA-N 354.358 3.066 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC1(C2)OCCO1 587612142 UOPGFQNIMAJWIT-FXAWDEMLSA-N 368.385 3.410 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 586973885 RWMDXFAKZWKPMH-GFCCVEGCSA-N 361.858 3.117 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 587952519 SPPKPMLMQGWXGY-UNXYVOJBSA-N 350.390 3.478 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 586947133 UHISEUFZYKNZHF-UHFFFAOYSA-N 363.870 3.218 0 1 FGAF Oc1ccc2c(c1)O[C@H](CNCCCOc1ccc3ncoc3c1)CC2 12356186 PPSUFDUYMIFSSO-KRWDZBQOSA-N 354.406 3.286 0 1 FGAF Cc1ccc(CNC(=O)[C@H]2CC(c3ccccc3C(F)(F)F)=NO2)o1 12727080 RPYYTADMSBTIBL-OAHLLOKOSA-N 352.312 3.416 0 3 FGAF CSc1nc(N2CCOCC2)c2cnn(/C=C/c3ccccc3)c2n1 13682804 DPQUKIYXXDPBGA-BQYQJAHWSA-N 353.451 3.013 0 1 FGAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1)C(F)(F)F 13760209 LNTIYGUDDGCZHR-INIZCTEOSA-N 355.287 3.309 0 1 FGAF CCCCn1nc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O 3294350 KHTJEUQKZCFMNL-UHFFFAOYSA-N 365.389 3.178 0 3 FGAF CCO/C(O)=C1\C(C)=Nc2[nH]c(SCC)nc(=O)c2[C@H]1c1ccncc1 6494086 CKBGMJWDAHMTEJ-VLURKWGBSA-N 372.450 3.321 0 1 FGAF COc1cc([C@@H]2OC[C@]3(O)[C@H](c4ccc(C)c(C)c4)OC[C@@H]23)ccc1O 2356423624 IFLMVBKWPMANPM-LRGNLBRXSA-N 356.418 3.208 0 1 FGAF CN1CCc2cc(Cl)c3[nH]c(=O)[nH]c3c2[C@H]2c3ccccc3CC[C@@H]21 3948059 XRFMTVYXVXWQSG-RDJZCZTQSA-N 353.853 3.444 0 1 FGAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCC(C)(C)CO 4273884 LPXBRSVJBNUEOQ-IAGOWNOFSA-N 350.459 3.428 0 1 FGAF Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1 100489538 XWRWGYJEUFQRKW-UHFFFAOYSA-N 361.467 3.106 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@H]1O 1911579142 JYELHVZHUTYKGP-YUQCVWRMSA-N 374.477 3.432 0 1 FGAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 117693750 BMPLTNNXXFVKEU-GFCCVEGCSA-N 373.416 3.464 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2356516650 DWBSPRNBPGOZCH-OBPGWLSISA-N 374.433 3.459 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1C=CC[C@@](C)(O)[C@@H]1O3 2356710245 VHWDGAJVLZBHQV-VYAXVDJTSA-N 370.401 3.103 0 1 FGAF C[C@H](C(=O)[C@@H](C)C(=O)N1CC[C@H](O)C1)c1cccc(Oc2ccccc2)c1 38208912 OIMXBOSCSZXRHQ-JZXOWHBKSA-N 367.445 3.381 0 1 FGAF C[S@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O 40567964 NLVZCBDLVIXTQI-CAEZBKHMSA-N 368.583 3.357 0 1 FGAF COC1CCC([C@H](C)Nc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)CC1 82203924 HBMBWCLZZAXUHA-GSXDDRDBSA-N 362.518 3.404 0 1 FGAF COc1ccc(C=O)c(-c2nc3c(Br)nccc3[nH]2)c1OC 587785561 BTNSQDOTIMPNCT-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587174173 FTEKHTORXZHVIP-SNVBAGLBSA-N 364.306 3.186 0 1 FGAF C[C@@]1(c2cccc(-n3cnnn3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517505 ORUWDLJYWSFRNM-NRFANRHFSA-N 360.417 3.422 0 1 FGAF C[C@@H]1C[C@@]2(CN1C1CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582874 OQKWCCWSMWZWDN-GIWSNZPPSA-N 351.402 3.349 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCN(C)C)c1)[C@@H](C2)C3=O 587431140 YWNVDDFWMNNZGL-UWJYYQICSA-N 353.418 3.124 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(COC(F)(F)F)nc2c1 587123077 GJWFAQBKIAXOOY-UHFFFAOYSA-N 353.094 3.148 0 1 FGAF COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444667 SXARVNFJLCJWBW-IERDGZPVSA-N 350.370 3.071 0 1 FGAF COC(=O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590634 CVULDARNIGAMKI-YJBOKZPZSA-N 356.374 3.456 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2nc(Cl)c[nH]c-2n1 587043126 ORXHWYUDZUGPCR-SECBINFHSA-N 366.233 3.267 0 1 FGAF O=C(O)c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661942 UKHXQXXOUQTLBN-UHFFFAOYSA-N 361.332 3.285 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2O)N1 587772253 FEOSYECIDJXZBT-JDNHERCYSA-N 351.219 3.487 0 1 FGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587938744 ZLQFBBMGBRNPGG-VLIAUNLRSA-N 369.465 3.349 0 1 FGAF Cc1ccc(-n2ccnc2SCc2nc3c(O)ncnc3[nH]2)c(C)c1 586966119 GIVBNTUZYLZDKL-UHFFFAOYSA-N 352.423 3.153 0 1 FGAF COc1cc(OC)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 587035725 YWWDHGWNOZWRMM-UHFFFAOYSA-N 357.435 3.060 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586997187 OGXPOTRGRVSKEX-OAHLLOKOSA-N 374.238 3.109 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCC(=O)[C@@H]1CCC(C)=O)N(C)[C@@H](C)C2 962567905 KDJCEPQSPBJIRP-UYTHQXMGSA-N 359.466 3.124 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2csc3cnc(Cl)nc23)N1 962923320 QLPVFVCCXCPJHB-HZMBPMFUSA-N 363.801 3.172 0 1 FGAF COc1cccc(-c2nnc3sc(-c4ccc(OC)c(N)c4)nn23)c1 1857634540 NKFKAEHSPCOHQB-UHFFFAOYSA-N 353.407 3.119 0 1 FGAF C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC[C@](C)(OO)C=CC[C@@]3(C)O[C@@H]3C[C@@H]12 253664587 BTJROEGVRQVIDB-FPGLDICCSA-N 364.438 3.216 0 1 FGAF NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1-c1ccccc1 4574859 DOXYZXAXSNRWHE-UHFFFAOYSA-N 367.455 3.178 0 1 FGAF CNC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243527 RXXLBNYYQFOPQV-UHFFFAOYSA-N 373.792 3.150 0 1 FGAF O=S(=O)(O)O[C@H](COc1nc2ccccc2s1)Cc1ccccc1 26160291 RVCARJPDEKDNRA-ZDUSSCGKSA-N 365.432 3.106 0 1 FGAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N1CCN2C(=O)C1CC1 115654354 DILKNXNQZMMRFL-HXUWFJFHSA-N 352.821 3.249 0 1 FGAF COCCNC(=O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)CC1 61928007 HJBBPLLIGALSIK-HNNXBMFYSA-N 358.404 3.070 0 3 FGAF CCCCO[C@@H]1C=Cc2c(cc(O)c(OC)c2O)CC(=O)O[C@H](C)C1 2356720930 ODGHZFOGPPEMMC-TZMCWYRMSA-N 350.411 3.183 0 1 FGAF Cc1n[nH]c(C)c1-c1nc(NC[C@H](C)N)c2c3c(sc2n1)CCCC3 223691716 YJWQCLCDKGEBKY-VIFPVBQESA-N 356.499 3.336 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1Cc1ccco1 199230492 NCRHTWSIYXWMOF-IBGZPJMESA-N 358.463 3.369 0 3 FGAF CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(Cl)cc2)c1N 40955397 QAYCDBJLLJWQNN-UHFFFAOYSA-N 351.834 3.425 0 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368.137 3.452 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccnn2c1 587590397 ZVTXDSOTOAKINQ-XLIONFOSSA-N 359.341 3.138 0 1 FGAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)[C@@H]1C(=O)O 587529250 MHFOYANBURILPJ-TUULYGBASA-N 372.417 3.101 0 1 FGAF O=C1CC[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1 586989406 HTKGARSNXGMFSB-QHCPKHFHSA-N 370.408 3.289 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)cnc1N)[C@@H](C2)C3=O 587420341 FUBQSNYRLAAVLV-BONVTDFDSA-N 350.296 3.180 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Cl)ncnc2[nH]1 587041337 BHXCNEHVVCSTAS-VIFPVBQESA-N 366.233 3.315 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1N1CCOCC1)O2 587380930 CWIWXGIBGLXPTF-SFHVURJKSA-N 356.397 3.259 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2C=CCC2)c1O 1772613370 VNVFYEUCFXELFL-JTQLQIEISA-N 358.847 3.068 0 1 FGAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 201461288 KMNPAULOMUMZRL-OAHLLOKOSA-N 353.397 3.500 0 3 FGAF CC(=O)[C@@H](CCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)ncnc21 1857753979 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587449239 APIQDJWFUQCXJS-BTYIYWSLSA-N 350.370 3.056 0 1 FGAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587938745 ZLQFBBMGBRNPGG-XOBRGWDASA-N 369.465 3.349 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(O)n1 587865988 RVHHCHOVJBJKLQ-UHFFFAOYSA-N 350.300 3.452 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ncc[nH]c-3n1)N2 587031522 OHUSGRRYBCOSDA-LKJZUNMESA-N 372.479 3.431 0 1 FGAF CS(=O)(=O)/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586923463 MAQNEERAUMEVLE-NSCUHMNNSA-N 369.162 3.360 0 1 FGAF COC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039715 DURDWBFVUSSVBS-IAGOWNOFSA-N 353.447 3.296 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(C)cn1 587862937 MCWKVGBDKBTSFX-UHFFFAOYSA-N 364.327 3.423 0 1 FGAF COc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144315 LQIVUGJNZWVWLH-LLVKDONJSA-N 365.206 3.111 0 1 FGAF COc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1O 963022447 JFOCYYWTAAPRSP-MGNBDDOMSA-N 358.825 3.197 0 1 FGAF C[C@@H]1[C@H](C)N(Cc2ccccc2)C[C@@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@H]1C 963289926 RVGYCISFLWEWFG-SGROESTNSA-N 361.489 3.164 0 1 FGAF COc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1O 963022450 JFOCYYWTAAPRSP-MLCYQJTMSA-N 358.825 3.197 0 1 FGAF CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1cc3ccccc3[nH]1)CC2 1772637760 BKDCLHLEVFMDIO-UHFFFAOYSA-N 364.453 3.046 0 1 FGAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(Br)cs1 5885977 LLVZWXPJNMREIE-UHFFFAOYSA-N 369.284 3.367 0 1 FGAF Cc1c(CNC2c3ccccc3-c3ccccc32)cnc2nc(N)nc(N)c12 5891437 XNDJQQURWLDHAI-UHFFFAOYSA-N 368.444 3.357 0 1 FGAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21 169331823 ZYQVJKVDYJSBES-INIZCTEOSA-N 357.429 3.131 0 1 FGAF CCOC(=O)COCc1cc(-c2cc(Br)ccc2OC)no1 1857597446 XLSJADCBENVOAD-UHFFFAOYSA-N 370.199 3.192 0 1 FGAF Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 1857610692 CEWFDWGMYMACGB-UHFFFAOYSA-N 362.458 3.337 0 1 FGAF COc1ccccc1CN=c1nc2sc(-c3ccc(C)o3)nc2c(N)[nH]1 1857632732 IAFSTXHYDXRWLE-UHFFFAOYSA-N 367.434 3.280 0 1 FGAF O=C(O)CNc1c(Br)cccc1Nc1ncnc2ccncc12 29132924 XFMOFPTVPBKHKO-UHFFFAOYSA-N 374.198 3.027 0 1 FGAF COc1cc(Nc2ncc(C(F)(F)F)c(OC)n2)cc(OC)c1OC 63540093 FGSLHCMPNMYQJT-UHFFFAOYSA-N 359.304 3.273 0 1 FGAF COc1ccc2[nH]c(N3CCC(Nc4ccc(C(=O)O)cc4)CC3)nc2c1 27526016 RBTKZKGMPHANTP-UHFFFAOYSA-N 366.421 3.351 0 1 FGAF CC(C)=CCc1ccc2[nH]cc(C[C@H]3NC(=O)[C@@H](CC(C)C)NC3=O)c2c1 2356536081 OPJDHMQJVPIBCH-WOJBJXKFSA-N 367.493 3.248 0 1 FGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)c1ccccc1 36388196 SCJZHAJMUUSCIO-HNNXBMFYSA-N 362.433 3.173 0 3 FGAF CC(=O)Oc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1OC(C)=O 38932731 ZYZMRZIODPGYSO-PKNBQFBNSA-N 368.385 3.336 0 1 FGAF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(OC)cc12 85847206 XFNCEOVSEPVUBT-IFPPFEEJSA-N 352.434 3.213 0 1 FGAF c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NCC2CC2)n1 223672405 POGUXISUINUINS-CQSZACIVSA-N 366.494 3.349 0 1 FGAF COCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 255264825 SLMVROKGKGNOBN-SCCSRDGTSA-N 364.526 3.193 0 1 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3NC(=O)N=C(N)[C@H]32)cc1 253917055 CVWPPMKSHIKWNI-YFVAEKQCSA-N 373.412 3.395 0 1 FGAF Cc1nc([C@H]2CCN(Cc3ccccc3OCC(=O)O)C2)c2sccn12 618016849 OLTRKWRGUIBVNE-HNNXBMFYSA-N 371.462 3.157 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4-c1ccccn1)[C@@H](C2)C3=O 587433620 ZTSZWWXHHUSNDR-OYHNWAKOSA-N 373.412 3.255 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCc3ccccc3)C1)O2 587396147 PUFNHUHOXKJKTD-OAQYLSRUSA-N 366.417 3.324 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586983600 FODOVEIRUCBDNC-WFASDCNBSA-N 374.242 3.292 0 1 FGAF CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)cc1 15961675 VVJUKCSHBNGAFT-JSNVTFDYSA-N 369.490 3.277 0 3 FGAF Cc1ccc2nc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)cn2c1 209349788 REGAKVSVLXHWIM-HZPDHXFCSA-N 359.437 3.210 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3nncs3)CC2)CC1 1857550601 MQSCYYUEIMITFW-MRXNPFEDSA-N 373.526 3.180 0 1 FGAF Cc1nsc(-c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)n1 1486864 XHGLWUVFPWHFHL-UHFFFAOYSA-N 372.885 3.284 0 1 FGAF COc1ccc(N2C=Nn3c(nc4sc5c(c4c3=O)CCCC5)C2)cc1 1651331 QZVYVLIWWXLUNM-UHFFFAOYSA-N 366.446 3.157 0 1 FGAF O=c1[nH]c(=O)c(Cc2ccccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1 101598417 YNQFDXCTDZXURX-QAQDUYKDSA-N 361.445 3.490 0 1 FGAF CCCNC(=O)[C@]1(C)CCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 61896411 JTHGHEPLUYFROP-OAQYLSRUSA-N 360.498 3.128 0 3 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H]4CCCCO4)ncc23)ccn1 219754582 PVUDEVTXOCDDQX-AWEZNQCLSA-N 366.425 3.019 0 1 FGAF CC(=O)c1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1 36380192 QKHLQNOWIOHATO-UHFFFAOYSA-N 368.447 3.236 0 1 FGAF CC(C)c1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)on1 73219404 JBOKTWNEIMBJNQ-UHFFFAOYSA-N 352.394 3.139 0 1 FGAF CC=C1[C@H](OC)OC[C@@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 14612611 ZIFOXHSDBNOQNJ-ROWPZFDLSA-N 352.434 3.179 0 1 FGAF biogenic COc1cc(OC)c2c(c1)[C@H](Cc1cc(OC)c(OC)c(OC)c1)OC2=O 15117886 NRGPHWQAFGYQCD-AWEZNQCLSA-N 374.389 3.184 0 1 FGAF biogenic COc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12 49088397 MIJSCYVHJDKPQH-UHFFFAOYSA-N 350.346 3.261 0 1 FGAF Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 49070701 WWEBJYNVUIMDCZ-LBPRGKRZSA-N 365.547 3.213 0 1 FGAF COc1cc(C(=O)c2cc3ccc(OC)c(O)c3o2)cc(OC)c1OC 45351594 YPUPXXYKCBMQTB-UHFFFAOYSA-N 358.346 3.404 0 1 FGAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 82203962 LRBWOJKYPLHTQM-CJNGLKHVSA-N 359.518 3.113 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](O)C[C@H]32)C1 255277432 WOLVJLISTFAJCZ-CTJFXMPBSA-N 358.570 3.438 0 1 FGAF CN(C)S(=O)(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586932004 SAJYMNKRKKRNON-UHFFFAOYSA-N 361.492 3.148 0 1 FGAF Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O 587577828 PIDJIPTUJHWJII-GHTZIAJQSA-N 363.369 3.420 0 1 FGAF C=C1NC(=O)NC=C1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799454 XGMOPCPZYYNNKH-PWJLMRLQSA-N 366.234 3.048 0 1 FGAF CCOC(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587777348 GKVNMKVGBGVQQY-UHFFFAOYSA-N 367.121 3.330 0 1 FGAF CC1=C[C@]2(CC(=O)N1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587756768 FKQAVXBEEIPTCW-JDNHERCYSA-N 353.235 3.084 0 1 FGAF COc1nccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119368 CAWSSBSQXFBFEN-UHFFFAOYSA-N 351.332 3.109 0 1 FGAF N=c1nc(O)c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2[nH]1 587125839 UEYDIKTYXFHGNF-ZZXKWVIFSA-N 353.329 3.253 0 1 FGAF COc1cncc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587020184 GCXDHTNXRTZGMM-UHFFFAOYSA-N 361.427 3.361 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587448240 BEPJOURXLQXLMI-MXTMVPOJSA-N 356.418 3.482 0 1 FGAF Cc1cc(C)n(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)n1 12439598 DXMRZPMDFQNMHZ-QGZVFWFLSA-N 367.428 3.019 0 3 FGAF Nc1nc2cc3[nH]c(NCc4cccc5ccccc45)nc3cc2c(=O)[nH]1 16052484 MCEZMMDIEXECTI-UHFFFAOYSA-N 356.389 3.147 0 1 FGAF in-vivo CC(=O)N1c2ccccc2N(Cc2ccccc2OCCO)C[C@H]1C1CC1 1857753649 LHEXAPUIXFYBDW-NRFANRHFSA-N 366.461 3.209 0 1 FGAF CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2ccc(Cl)cc2n1 6775138 CVUQNQUSADLCLI-UHFFFAOYSA-N 370.840 3.401 0 1 FGAF Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCOCC3)c2c1C 1340406 FFYSNJUKIFXMAR-UHFFFAOYSA-N 365.524 3.382 0 3 FGAF COc1cc2c(cc1OC)C[C@H]1c3cc(OC)c(OC)cc3CCN1CC2 1650685 FDWCQJQXTYABFS-SFHVURJKSA-N 369.461 3.419 0 1 FGAF C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2O 4769276 YTVFWNYYFKFLOQ-ZICKVNAASA-N 362.382 3.426 0 1 FGAF Cc1cccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c1 100292678 NJKSSQREUHRDMX-MVYVIFSASA-N 351.454 3.224 0 1 FGAF COCCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 113192891 HHRFSNJVCPRJOW-UHFFFAOYSA-N 353.300 3.320 0 1 FGAF COCC[C@@H](CC1(C(=O)N[C@@H](C)Cc2ccccc2)CCCC1)C(=O)O 28640480 WJHYMCIIUNXORJ-WMZOPIPTSA-N 361.482 3.422 0 1 FGAF CN(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27184925 OPBXODDPFVCESI-KRWDZBQOSA-N 372.852 3.053 0 1 FGAF COc1ccc(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C=CN2C)cc1O 2356829460 IYOLQXSJSAQSTA-IBGZPJMESA-N 355.390 3.258 0 1 FGAF CN1CCN(Cc2ccc3c(c2)Cc2c(-c4cccs4)n[nH]c2-3)CC1 36338890 KITMUODNINZYCA-UHFFFAOYSA-N 350.491 3.457 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2c(Br)cccn12 147670402 AYKPBWMUCQNOMQ-UHFFFAOYSA-N 369.222 3.049 0 1 FGAF COc1cccc(CN(CCN)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95587422 KBPGIJMXVIVAFP-UHFFFAOYSA-N 365.437 3.078 0 1 FGAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC4CCC4)C[C@H]23)c2ccccn12 653792956 GUDJMGQHGOXPDK-NNZMDNLPSA-N 366.509 3.165 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cccn1 587870058 UNCSTUXCFGNAAY-JTQLQIEISA-N 365.315 3.070 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(F)c1)O2 587386156 SNBICHMEWVRMOK-LJQANCHMSA-N 356.397 3.259 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587837762 KXFXRMRCJYTUDJ-ZGCAUMFFSA-N 368.246 3.408 0 1 FGAF CC(=O)C(C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811862 HXSHMCKEZGXEFZ-VPTHRUTESA-N 356.235 3.132 0 1 FGAF Brc1cc(/C=C\c2nc3cncnc3[nH]2)cc2c1OCCO2 587002180 UUKCCJYSEYLULP-UPHRSURJSA-N 359.183 3.057 0 1 FGAF O=C(n1ncc2ccc(Cl)cc2c1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587652382 QFWBOBFBYWMOTK-TYGXQLQZSA-N 358.825 3.021 0 1 FGAF CCn1cc(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587417878 MZXNIAZDWLNZLQ-QLJPJBMISA-N 363.211 3.163 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCOCC2)N1 587767011 PXBUZPSRCUHHPA-BZNIZROVSA-N 371.294 3.274 0 1 FGAF CCc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134645 SOMDDMRTKHGCJF-UHFFFAOYSA-N 369.368 3.021 0 1 FGAF COc1ccc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(F)c2)c(F)c1 587152232 KWQRSWZGPUZWDD-UHFFFAOYSA-N 353.332 3.338 0 1 FGAF CN(Cc1nc2cc(F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929584 WBFYPCLDRBBSGV-UHFFFAOYSA-N 371.796 3.315 0 1 FGAF COc1cccc(-c2cc(Cn3[nH]nnc3=N)nc3c2oc2ccccc23)c1 587363815 OSEZPFRZCVJMDP-UHFFFAOYSA-N 372.388 3.104 0 1 FGAF N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1F 587142619 IDCIIWAAOBLPSN-VIFPVBQESA-N 370.613 3.102 0 1 FGAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587400965 SQQKCAIWFLFPBY-KKSFZXQISA-N 351.402 3.173 0 1 FGAF Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)F 587638869 RVTYGOBHZTUFIH-UHFFFAOYSA-N 351.284 3.320 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4cc(C)ccc41)[C@@H](C2)C3=O 587454339 SSBQSAGRYYQEDI-LHSJRXKWSA-N 364.353 3.007 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3c(Cl)[nH]c(C=O)c3Cl)c3cccc1c32 963036728 VBMQEZILTNGKDC-PWJLMRLQSA-N 364.232 3.277 0 1 FGAF CC(=O)c1cc(Cn2nc(C(=O)O)cc2C)n2nc(-c3ccccc3)cc2c1 1772628346 CTJADXDUADVWBQ-UHFFFAOYSA-N 374.400 3.455 0 1 FGAF CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCC)c1=O 12405346 WCTROWWKIKVJMP-UHFFFAOYSA-N 370.497 3.174 0 1 FGAF Cc1nc2sc([C@@H](c3ccccc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 169335991 GOAMXJOTLKPXBX-SLEUVZQESA-N 358.467 3.003 0 1 FGAF COc1ccc(Nc2ncc3nc(O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 1857559892 GVHNVNPBKISOIO-JOCQHMNTSA-N 369.425 3.069 0 1 FGAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12 216023614 CIZXVAUVXFMVKY-UHFFFAOYSA-N 357.797 3.418 0 1 FGAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@@H]2CCNC2)c2ncccc12 28862178 AQDSKRXMNKMXJE-CYBMUJFWSA-N 361.854 3.057 0 1 FGAF O=[N+]([O-])c1cn2c(n1)O[C@H](COCc1ccc(OC(F)(F)F)cc1)CC2 115608558 AKYSJCGKQJLIEI-LBPRGKRZSA-N 373.287 3.058 0 1 FGAF CC(C)NC[C@H](O)COc1ccc(CCOCCc2ccccc2)cc1 29340114 GNMNXYBVWHRGEM-NRFANRHFSA-N 357.494 3.226 0 1 FGAF OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)O1 27317552 LVTQBRHVNWJLNJ-SWLSCSKDSA-N 350.850 3.499 0 1 FGAF CC(=O)c1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 28000945 OUFWAJZCECPQGY-UHFFFAOYSA-N 358.442 3.473 0 1 FGAF COc1ccc2nc3n(c2c1)[C@H](CNCc1cnc2ccccc2c1)COC3 2356527242 ZZMAIGMBLJQNHI-QGZVFWFLSA-N 374.444 3.454 0 1 FGAF CN1O[C@@](C)(CC(=O)NCc2ccccc2F)N=C1c1ccccc1F 74373611 RTIHUINUIMZTNR-IBGZPJMESA-N 359.376 3.011 0 3 FGAF CCNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72181607 IHOUBZNKXSEIPA-UHFFFAOYSA-N 351.410 3.194 0 1 FGAF COc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 33504938 QCIPAKYWNDVOBP-AWEZNQCLSA-N 353.806 3.365 0 1 FGAF Cc1ccc(N2CCC(CCOc3ccc([S@](C)=O)cc3)CC2)nn1 72127969 XPQUCXXCNVVRKO-RUZDIDTESA-N 359.495 3.208 0 1 FGAF COc1ccc([C@@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)cc1 219520129 VXUOZBSKTXNLRB-FQEVSTJZSA-N 350.374 3.155 0 1 FGAF CCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40897717 MZLKRCNMPJIDPD-DZGCQCFKSA-N 366.849 3.091 0 1 FGAF Cc1cc(S(N)(=O)=O)c(SCC(=O)c2ccccc2)cc1Cl 40422083 NXYDMZMSWYLHFS-UHFFFAOYSA-N 355.868 3.271 0 1 FGAF Cc1cn(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)cn1 225076572 VONRSHIJPODIKL-UHFFFAOYSA-N 360.465 3.002 0 1 FGAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1C 95577664 GWWAWENWSRQRAM-JOCHJYFZSA-N 371.444 3.493 0 1 FGAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1F 149835983 YQNLPHPXFUGBHE-AWEZNQCLSA-N 350.781 3.179 0 1 FGAF CC1(C)OCc2c(Nc3n[nH]c4ccc(F)cc34)nc(-c3cn[nH]c3)nc21 653707414 LRPVMNFUGWCSFJ-UHFFFAOYSA-N 365.372 3.391 0 1 FGAF COc1cc2c(cc1OC)-c1cc3cc(=O)c(OC)c(OC)c-3cn1CC2 653687120 UORJSDWCVYZJLA-UHFFFAOYSA-N 367.401 3.211 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2cc1OC 586878175 AUXPEUJWYNGVNY-FPLPWBNLSA-N 352.346 3.123 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C)O2 587396586 UKFRMJGVNOMFFF-ODXCJYRJSA-N 374.437 3.085 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586950287 FBCXJYVKSSJLJD-UHFFFAOYSA-N 366.240 3.364 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1c(C)cc(C)cc1C)(C(O)O)CC2=O 587487456 FSXBSFATGFCLGJ-QFIPXVFZSA-N 370.445 3.441 0 1 FGAF Cn1cc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cn1 587104689 HQOQNGCKMJSIGW-UHFFFAOYSA-N 369.380 3.474 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc(O)c1Br)O2 587379013 ZLUCDGANNULARX-ZDUSSCGKSA-N 364.195 3.457 0 1 FGAF C=C1NC(=O)NC=C1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789107 AAZIREZRTPPFKC-ZKANADHPSA-N 366.234 3.048 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnn(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587429649 AGVUEDAWAIDRPP-GUYCJALGSA-N 356.378 3.164 0 1 FGAF CCOC(=O)[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399861 MYPQBDFJNPGWMN-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O 587101710 OZPQAYMBMGAUOY-CXAGYDPISA-N 373.364 3.180 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177782 ZLBZLMCRZJATSJ-UHFFFAOYSA-N 353.401 3.066 0 1 FGAF COc1ccc(OCCNC(=O)c2c(C3CC3)nc3ccc(C)cn23)cc1 1857546456 VZBBKKCLKCBLHZ-UHFFFAOYSA-N 365.433 3.338 0 1 FGAF COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1OC 1381194 QVRUCUAQJRQRPN-SFHVURJKSA-N 373.405 3.254 0 3 FGAF CCN1C(=O)c2c(N3CCOCC3)c(-c3ccc(Cl)cc3)cn2C1=O 27849072 FYNJAIKGVFCWTE-UHFFFAOYSA-N 359.813 3.089 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H]([C@@H](O)C[C@H]12)[C@H](CO)C3 2356593477 LMHAUQDUAZPPMU-FRCIZUGGSA-N 350.499 3.152 0 1 FGAF COC(OC)C1=CN([C@@H](Cc2ccccc2)C(=O)O)C=C2[C]1CC[C@H]2C 2356829807 OXANEYNHWRLBBF-KUHUBIRLSA-N 356.442 3.389 0 1 FGAF C[C@H](CF)N1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 36289016 MSVUCHUHJRYEIG-XLIONFOSSA-N 371.452 3.288 0 1 FGAF CCCCC/C=C\C[C@@H](O)[C@@H](O)/C=C/[C@H](O)C/C=C\CCCC(=O)O 38792092 WPLPEZUSILBTGP-FZOLLDHTSA-N 354.487 3.353 0 1 FGAF in-vitro CCOC(=O)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC 45258403 IVKUVQKYDLMXII-UHFFFAOYSA-N 361.419 3.402 0 1 FGAF c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NC2CC2)n1 223671827 DEBZJPJEZHSENF-CYBMUJFWSA-N 352.467 3.101 0 1 FGAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O 49048118 CMULQNKJKAJXOM-UHFFFAOYSA-N 371.444 3.038 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)C3(CC3)CNC4=O)c2nc1NC1CC1 222337815 JJNZOHXEOGVGEN-UHFFFAOYSA-N 359.433 3.283 0 1 FGAF Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)[C@H]2C(=N)ON=C2N)cc1 45320101 RYOIDDVLPVVOTD-SJLPKXTDSA-N 363.417 3.271 0 1 FGAF C[C@H](C(=O)OC[C@@H](C)O[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 40974370 SNGYIJXVPYURDI-NEPJUHHUSA-N 363.391 3.223 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)co1 82073132 KRVORGRUWXQSSD-SFHVURJKSA-N 367.449 3.267 0 1 FGAF O=C(Cc1cccc(OC(F)(F)F)c1Cl)N[C@@H]1COc2ncccc21 146777253 LOXILRFGFNGSSW-LLVKDONJSA-N 372.730 3.426 0 1 FGAF COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1OC 95591346 XYMRHAZMVMRVAO-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF O=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271355 ZBBMPYVJMJCAIO-UHFFFAOYSA-N 366.442 3.486 0 1 FGAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC(F)CC3)[C@@H]2CC1 299815166 CFHWIDOLENEWAL-KVIJGQROSA-N 351.462 3.256 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3ncccc23)N1 587791011 DZCXMIJOVSUYFC-JDNHERCYSA-N 361.218 3.255 0 1 FGAF N[C@H](Cc1cscn1)c1nc2c(Cl)c(Br)cnc2[nH]1 587028570 SEJGPZPLVYFXAT-SSDOTTSWSA-N 358.652 3.073 0 1 FGAF CC(C)COc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586909683 IBXKVAYZFKSIBS-LLVKDONJSA-N 369.259 3.318 0 1 FGAF COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c1 587928419 BTUVSDISTRDJBH-ONEGZZNKSA-N 365.389 3.167 0 1 FGAF COC(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c1 587785788 CLMMFZZBQXSRGQ-UHFFFAOYSA-N 352.390 3.482 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899483 YPAAYWHYNKFYIX-UHFFFAOYSA-N 365.414 3.250 0 1 FGAF COc1nccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c12 587245276 SNCIDEQZHVZOTH-UHFFFAOYSA-N 363.377 3.106 0 1 FGAF N[C@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1F 587145444 YUGSSXCZMXHVQD-GFCCVEGCSA-N 350.191 3.413 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)cc(F)c2[nH]1 586950063 OAJOXYYZVIRNHA-UHFFFAOYSA-N 353.806 3.318 0 1 FGAF CNC(=O)COc1ccccc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963110901 QWQGFZNVGYWHJQ-GOSISDBHSA-N 365.260 3.353 0 1 FGAF C[C@@H]1C[C@]2(CCO1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963184589 PNUMQRZUMPJXFM-AFEMSUNCSA-N 363.763 3.352 0 1 FGAF COc1ccc2c(c1)C[C@@H](CCN1CCN(c3ccccn3)CC1)CC2 13470691 MQYILSGYILZXMS-GOSISDBHSA-N 351.494 3.407 0 1 FGAF O=C(O)C[C@@H](Sc1cccc(NC(=O)[C@H]2CCCN2)c1)c1cccnc1 13589286 WDTNHXYMMBSEOO-IAGOWNOFSA-N 371.462 3.080 0 1 FGAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 169723973 ODNRMADAEHKFII-NVXWUHKLSA-N 359.422 3.355 0 1 FGAF COc1ccc(/C=C/[S@](=O)c2cc(OC)c(OC)c(OC)c2)cc1N 1857654342 GIBFDGKQCLDKNR-NJFIGMEYSA-N 363.435 3.082 0 1 FGAF CN(c1ccccc1)[C@H](c1ccc(F)cc1)c1nnnn1C[C@@H]1CCCO1 883972 KTRHXHKCTSKFGP-RBUKOAKNSA-N 367.428 3.217 0 3 FGAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)n1 2356302122 MEFCKVFTWDUSPP-CRAIPNDOSA-N 370.428 3.014 0 1 FGAF O=c1c2sccc2n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 2466758 RRVYXWJODCMBEQ-UHFFFAOYSA-N 352.390 3.401 0 1 FGAF CC[C@H](Sc1nncn2c1cc1occc12)C(=O)NCc1ccco1 6893980 HIBALMYBWQTFJX-HNNXBMFYSA-N 356.407 3.256 0 1 FGAF CCCC[C@@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27712042 IJNLAPNMNMHBJS-FEINNRIKSA-N 369.505 3.452 0 1 FGAF CCC(=O)[C@@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2 27995137 NPUPASYITYXDSJ-DSJMHWKBSA-N 369.246 3.494 0 1 FGAF COc1ccc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc1OC 27517369 BUERDDLQBFJZQM-HXUWFJFHSA-N 369.421 3.009 0 1 FGAF COc1ccc2[nH]cc(CCn3ccc4nc(SC)ncc4c3=O)c2c1 20855665 IEVXBPOXTKLLOZ-UHFFFAOYSA-N 366.446 3.246 0 1 FGAF CC(C)(O)CNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 113133696 JHMRUORAAQMLPE-UHFFFAOYSA-N 366.343 3.478 0 1 FGAF O=S(=O)(c1ccccc1)c1cccc2c1S(=O)(=O)c1ccccc1O2 26264474 AYVTUPJFEOCTHS-UHFFFAOYSA-N 372.423 3.458 0 1 FGAF CC1(C)OC(=O)C(Oc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 26939503 OEUFTIBZEDUUCK-UHFFFAOYSA-N 358.415 3.216 0 1 FGAF CCCCC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@@H](O)CCCC(=O)O 2356759238 UXVRTOKOJOMENI-QYZOEREBSA-N 352.471 3.129 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H]4CC[C@@]35CCC[C@H]5[C@@]3(CCC(=O)O)[C@H]2[C@]1(O)CC[C@]43C 2356783955 MUGPALRHVRSORL-BNNGKCLKSA-N 359.510 3.281 0 1 FGAF CCn1nc(C)c(CCNc2nc(-c3cccc(F)c3)cnc2N)c1C 32590555 ZCBONQVCDQSCHZ-UHFFFAOYSA-N 354.433 3.353 0 1 FGAF c1cc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)ccn1 73129303 ZNLOPNFHYPMDIP-UHFFFAOYSA-N 356.433 3.097 0 1 FGAF COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1 73196401 SIYJLMVIVBKINW-UHFFFAOYSA-N 361.405 3.234 0 1 FGAF CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1F 74374676 VSEMTNPAROTMMP-NRFANRHFSA-N 367.424 3.141 0 3 FGAF CCCCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82070083 LHXATMLOPUZNDW-INIZCTEOSA-N 359.495 3.481 0 1 FGAF O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2ccc(F)cc12 49034839 YXCBVZRAABWHKG-CQSZACIVSA-N 362.401 3.287 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)c(F)c(F)c2[nH]1 587193897 HUXPFPKOOFTQOJ-JTQLQIEISA-N 372.391 3.498 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCS(C)(=O)=O 587866778 PIBWDRAQNHLZMZ-UHFFFAOYSA-N 362.373 3.012 0 1 FGAF CC[C@@H]1OC=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587834761 SOQWNJIHYVOPGC-RCAYSMOQSA-N 354.219 3.209 0 1 FGAF Cc1cc(C(F)F)nn1[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651635 NGTYFWKBUXRJKK-VIFPVBQESA-N 366.755 3.394 0 1 FGAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587950289 AQXRSOMNUKQCIA-MKBNYLNASA-N 351.472 3.257 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](N=O)C(=O)Nc1ccccc1)O2 587392324 XYGVKYIZACDUMO-MJGOQNOKSA-N 353.378 3.075 0 1 FGAF Cn1ncc(I)c1-c1cc2c3c(cccc3n1)CC2 587212105 CIFYAFGOOUAFAA-UHFFFAOYSA-N 361.186 3.339 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397516 BJZPLOLKAXHWEJ-NFYPIIHDSA-N 372.465 3.414 0 1 FGAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442191 IUDMYPILGXQTCN-KLUXEKNISA-N 356.418 3.181 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3cnc4ccccc4c3[nH]2)c1 586922813 ZZEGFFPKBZZOAK-UHFFFAOYSA-N 351.431 3.496 0 1 FGAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397813 BQBMNNFKJBLNHC-LHSJRXKWSA-N 353.418 3.333 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCCO[C@@H]3CC)[nH]c2c1 586913738 RZOIMXOFEBYGBT-WMLDXEAASA-N 365.499 3.314 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)OCC)c1cnccn1 963224941 FDBSSRZQTAZTIK-HRAATJIYSA-N 353.466 3.330 0 1 FGAF Cc1c(O)ccc2c1[C@H](c1cc(Cl)c(F)cc1F)N[C@H](C(=O)O)C2 963521367 BOOGNJRMUGWLJM-BBRMVZONSA-N 353.752 3.321 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)C1(CCN(CC3CCCCC3)CC1)NCC2 962929045 ZWUQJRYZUWDLQP-UHFFFAOYSA-N 369.553 3.406 0 1 FGAF CCC[C@]1([C@H](CC2CC2)C(=O)OCC)NCCc2nc3ccccn3c21 962989257 ZKNLPTGPBLLEHB-IIBYNOLFSA-N 355.482 3.455 0 1 FGAF CCC(=O)O[C@H]1C/C=C(\C)CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C/1C 13324154 ZHSMTXSVUWPNHP-KGFACNRXSA-N 362.422 3.170 0 1 FGAF O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccco1 13455259 DPJYWYRNTXJFCU-WDEREUQCSA-N 355.177 3.326 0 1 FGAF CCCN1CCC(=O)N(CCSc2ccc(Br)cc2)CC1 13829929 KJJDOKGMADUVFO-UHFFFAOYSA-N 371.344 3.486 0 1 FGAF Cc1ccn2c(=O)c(NC(=O)N(Cc3ccccc3)C(C)C)cnc2c1 169313101 PSSXXSPKCHFMCB-UHFFFAOYSA-N 350.422 3.445 0 1 FGAF Cc1nc(N)nc(-c2c(Nc3ccc4ncccc4c3)nc3ccccn23)n1 168410086 YVIUPILOGILJPD-UHFFFAOYSA-N 368.404 3.369 0 1 FGAF COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)cc1 201461768 QZGXHAVQFDFZAG-INIZCTEOSA-N 365.433 3.369 0 3 FGAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C1=CC(=O)OC1 2356330967 SKSICACXKPDATJ-ZGPZXWGVSA-N 374.521 3.460 0 1 FGAF O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccc(F)cc1 4238605 FTEBWIBRQIFYOX-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF COc1cc2c(cc1O)O[C@H]1Oc3cc4ccc(=O)oc4cc3OC1=C2 2356454145 APBDVJVONHAIGM-IBGZPJMESA-N 352.298 3.038 0 1 FGAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 61927823 WUDHUKPUQRLPBS-GOSISDBHSA-N 354.397 3.057 0 3 FGAF O=C(OCC(F)F)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@H]2[C@H]1O 66058954 ZCNRJTCARJCSHT-FTGINLBMSA-N 366.404 3.254 0 1 FGAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)c1 72316885 QSLDDROANYSPRV-LSDHHAIUSA-N 369.444 3.198 0 1 FGAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4)cc3C2=O)C(OC)=C[C@@H]1O 73164809 UIKNUDQQFMPSEC-HRAATJIYSA-N 350.370 3.103 0 1 FGAF C[C@H](CO)CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 13380860 QZBPWZWWRPDXGM-DQLGPHAMSA-N 370.401 3.292 0 1 FGAF biogenic CCCN1CCN(c2ncc(CCN(C)Cc3ccccc3)s2)CC1 40914680 LPMNAUVSJOEGQM-UHFFFAOYSA-N 358.555 3.350 0 1 FGAF Cc1ccc(C(=O)N2C[C@H]3CCC[C@H](OCc4cccnc4)[C@@H]3C2)cn1 299842171 KKOMQMAXQBVJCT-AQNXPRMDSA-N 351.450 3.243 0 1 FGAF COC1CCN(c2nccc(Nc3cc4c(cn3)CCN4C(C)C)n2)CC1 299821258 CAVDETKDHRPSQK-UHFFFAOYSA-N 368.485 3.001 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2c1 587565647 OOCLLVUNKMHWCU-UHFFFAOYSA-N 373.478 3.481 0 1 FGAF CN1CCN(c2ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3c2)CC1 587060011 XXIQYCDCASFSMH-QGZVFWFLSA-N 369.900 3.211 0 1 FGAF Cc1nccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774614 MZDUKKGUFAIUJS-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587445190 XQCVNTXFRFHSPX-KKSFZXQISA-N 352.386 3.335 0 1 FGAF Fc1c(F)c(F)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1F 587128422 NBTDJKPRBIBIRO-UHFFFAOYSA-N 358.205 3.162 0 1 FGAF COCCC[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795884 SKCAFXCCSSIMHI-BDJLRTHQSA-N 360.267 3.391 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)Cc1cccc(C(=O)O)c1 963609238 NCVZCGTVRYTUQP-ZSEKCTLFSA-N 355.434 3.394 0 1 FGAF Clc1cc(Cl)c2c(c1)[C@H](c1cn(Cc3cccnc3)nn1)NCC2 963101851 FJFQHNJPTKAMGZ-QGZVFWFLSA-N 360.248 3.263 0 1 FGAF CSc1nc(N2CCOCC2)c2ccn(Cc3ccc(F)cc3)c2n1 1772608904 QGGIXKZOWARZOR-UHFFFAOYSA-N 358.442 3.177 0 1 FGAF CCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169302245 GIZCUFCOBVPITN-MCSCXCCRSA-N 355.478 3.062 0 1 FGAF CCC[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165996853 KMAPATQWAFBPAR-IBGZPJMESA-N 367.449 3.125 0 1 FGAF c1ccc2c(c1)OCC[C@H]2Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857652325 XLKANUGVGKJAFP-HNNXBMFYSA-N 358.405 3.297 0 1 FGAF CC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCN(C(C)C)CC2)OC1=O 8600168 QDGPQQUZDPFYEB-UHFFFAOYSA-N 364.392 3.020 0 1 FGAF COC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccccc1 102646539 HSRIITUXGBDJPO-VZWFDDOASA-N 368.433 3.321 0 1 FGAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@](C)(CCO)[C@@H](O)O1 2356511177 AJDVYSWVSCNGQG-OVWQWFNUSA-N 362.583 3.226 0 1 FGAF Cc1noc(C[S@@](=O)C[C@@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 36271509 DYTIBVLSVQCIHS-GMBGOVJBSA-N 367.902 3.016 0 1 FGAF CN(C)CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 34802935 HFEANGBCVOPJFK-UHFFFAOYSA-N 361.401 3.347 0 1 FGAF C[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1 72124688 FSHBEPXUOKWEBA-NSHDSACASA-N 374.448 3.426 0 1 FGAF Cc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1 45348491 UEEYBUDDHSTDBQ-UHFFFAOYSA-N 353.813 3.013 0 1 FGAF Cn1c(CN2C[C@@H]3C(COc4ccc(Cl)nc4)[C@@H]3C2)nc2ccccc21 40918159 HRIUMMSQJIKREG-XYPWUTKMSA-N 368.868 3.379 0 1 FGAF COC(=O)c1cc(C(=O)OC)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143478250 IBJLANFIRCABPH-QGZVFWFLSA-N 366.291 3.038 0 1 FGAF CN(C)C(=O)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144793508 RAJSEQCWCGECIR-GOSISDBHSA-N 365.351 3.322 0 1 FGAF CC1=C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 238762426 JYELHVZHUTYKGP-LDNJSWSKSA-N 374.477 3.432 0 1 FGAF CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 95636116 BYYWRCJZFSTRMQ-WSKZCNLGSA-N 357.450 3.140 0 1 FGAF in-vitro COc1ccc(-c2csc(NN3C(=O)c4ccccc4C3=O)n2)cc1 653700508 PJSILNKYQYLIAK-UHFFFAOYSA-N 351.387 3.442 0 1 FGAF COC(=O)CSc1c(F)c(F)c2cc(C(=O)OC)sc2c1F 653760830 GLLFTNSITZQXDY-UHFFFAOYSA-N 350.339 3.370 0 1 FGAF Cc1nn(CCS(C)(=O)=O)c(C)c1-c1nc2cccc3c2c(c1C)CC3 587217535 XAWBQRWMIRAIOX-UHFFFAOYSA-N 369.490 3.167 0 1 FGAF CC[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398929 GPTZSIFLJWENKN-HXUWFJFHSA-N 355.390 3.311 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CO)ccn2)N1 587774243 USDSSTSKDUEISN-XXFAHNHDSA-N 351.219 3.099 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587759988 NKKVABKDAURQIJ-BMLIUANNSA-N 367.262 3.474 0 1 FGAF CC(=O)N1CCc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587400616 QVCYDAADNFJGRW-OAQYLSRUSA-N 350.418 3.367 0 1 FGAF CN=c1nc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]s1 586992531 COLYJIMNDKQFGU-UHFFFAOYSA-N 374.425 3.058 0 1 FGAF CCCOc1ccccc1[C@@]1(CN)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426971 BRGDJHCAQGSMCJ-IIBYNOLFSA-N 353.418 3.086 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1 586918694 QRMPFJAYRIUSMY-UHFFFAOYSA-N 354.387 3.130 0 1 FGAF O=C(O)CCN(CCc1nc2cc(Cl)ncc2[nH]1)Cc1ccccc1 587193814 RNXWNNWGRQUPGE-UHFFFAOYSA-N 358.829 3.131 0 1 FGAF CCOC(=O)[C@@H](c1cccnc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587395822 UJJDXRKZFMNLDB-XLIONFOSSA-N 354.406 3.043 0 1 FGAF COc1ccc(Cn2nc(C(=O)O)cc2C)n2nc(-c3ccccc3)cc12 1772575197 PYUBKFYWFKRLAK-UHFFFAOYSA-N 362.389 3.261 0 1 FGAF COC(=O)[C@@H]1[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]2CC[C@H]1C(C)=O 5539459 XUQBFQQFSMRJOK-OGQIGFOHSA-N 350.455 3.149 0 1 FGAF COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1 13490719 NDSKONMZWSLWOI-UHFFFAOYSA-N 373.541 3.294 0 1 FGAF COc1cccc(OCc2cc(C(=O)N(C)CC[C@@H]3CCCCO3)no2)c1 15065610 XXURQWSSYQYSQF-HNNXBMFYSA-N 374.437 3.293 0 3 FGAF C/C=C(\C)C(=O)Oc1cc(C)c(OC)cc1[C@]1(COC(=O)C(C)C)CO1 15169474 SETFGEIWHSDRLX-LOULHMMLSA-N 362.422 3.300 0 1 FGAF CCCCOc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 15669044 BTXINZRJHYLQBI-UHFFFAOYSA-N 367.453 3.500 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccncc1 169303448 KEHHAHQZUQWJSV-MRXNPFEDSA-N 354.360 3.353 0 1 FGAF COC(=O)c1ccccc1NC(=O)CCCN1CCc2ccccc2C1 1857604526 VCTGFGQJGBAJDV-UHFFFAOYSA-N 352.434 3.250 0 1 FGAF Cc1cccc(=O)n1CCCNC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857769401 BPIYVMAAHNWDHX-MOPGFXCFSA-N 356.441 3.242 0 1 FGAF O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1 4908076 QWFJOMWBOPAHQQ-AYHJJNSGSA-N 367.449 3.034 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(F)cc4)ccc31)[C@H]1CC[C@H](C2)N1 100632178 DYIARSQFUAIKJI-CXAGYDPISA-N 370.449 3.499 0 1 FGAF CC(C)O[C@H]1CCC([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103216520 QEOOEUBQISOEHR-HNNXBMFYSA-N 354.838 3.089 0 1 FGAF Brc1ccc([C@@H]2C=C(c3cccnc3)Nc3ncnn32)cc1 104118983 STYFRJXCSJLZRJ-HNNXBMFYSA-N 354.211 3.492 0 1 FGAF O=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 28235644 DJGZZEUZZHAVEO-UHFFFAOYSA-N 369.896 3.441 0 1 FGAF in-vivo Cc1nc[nH]c1CN1CCc2c(cnc(C)c2-c2noc(C3CCC3)n2)C1 23159472 HCGRJLQMODFIBA-UHFFFAOYSA-N 364.453 3.297 0 1 FGAF CO[C@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 34729538 NZPBUNQOXRUEEE-XZIAOLDNSA-N 366.498 3.080 0 1 FGAF biogenic,in-vitro C[C@@H](NC(=O)Nc1cc2n[nH]c([C@@H]3C[C@@H]3C(=O)O)c2cn1)c1ccccc1 219767050 KTFYTEZRZJPGEJ-RTXFEEFZSA-N 365.393 3.029 0 1 FGAF CC(C)(C)OC(=O)NCCc1nc(Br)[nH]c1Br 72175649 SDTXEJLPRUBJRA-UHFFFAOYSA-N 369.057 3.002 0 1 FGAF CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23CN4CCC[C@]4(C[C@@H]12)C(=O)N3 40379558 OLTNNHBFPVARTE-DQLDELGASA-N 369.896 3.378 0 1 FGAF CCOC(=O)C1=C(Nc2ccccc2)N=C(c2ccccc2)N2CCN=C12 45284338 IQSKKTZJRWDVNK-UHFFFAOYSA-N 360.417 3.048 0 1 FGAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@@]1(C)C(=O)NC1CCCCC1 199397692 HRUGYAILEWTDMD-FQEVSTJZSA-N 360.502 3.052 0 3 FGAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21 95597511 QWWIQCNBCCSETJ-UHFFFAOYSA-N 358.486 3.296 0 1 FGAF NS(=O)(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1 653748797 HOOLISIVKMHSHY-UHFFFAOYSA-N 371.439 3.400 0 1 FGAF Cc1cccc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1C 587564846 ZHEFSEUGWWOWIE-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(=N)[nH]2)N1 587855548 WQIICUYSKQIBBE-JKYUHCHBSA-N 356.264 3.255 0 1 FGAF COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508741 BIOFWYPPLFGQPZ-MKRMIXIUSA-N 369.461 3.298 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2N)N1 587737318 ZGMWQRLUSOSKTR-WJWGPLDTSA-N 354.198 3.328 0 1 FGAF COc1cc(OC)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587075828 LBTYNUIKLYEYSQ-UHFFFAOYSA-N 355.785 3.481 0 1 FGAF Cc1cnc(Cl)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 587193839 HFLSTTLUZOXUQO-NSHDSACASA-N 367.881 3.437 0 1 FGAF CO[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358100 PIOMXQFGGWYRCQ-HBFSDRIKSA-N 358.365 3.064 0 1 FGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(F)cc(F)c3[nH]2)s1 587023508 FBRDRYOUSCXXBT-UHFFFAOYSA-N 367.381 3.052 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)c3c(c1)CCCN3C)O2 587397513 BITXLGVGGPXJLL-LJQANCHMSA-N 350.418 3.479 0 1 FGAF Oc1nc(O)c2ccc(-c3ccnc4cc(Br)ccc34)nc2n1 587367227 VASZCTBGNDQLLL-UHFFFAOYSA-N 369.178 3.414 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807731 MWVDKYKUACMTNQ-KJRLAJNESA-N 356.235 3.291 0 1 FGAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)nc2cc(Cl)ccc21 962906113 XBBLFKFGPWUJIH-HOCLYGCPSA-N 359.788 3.054 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ncc(-c2cccnc2)o1 963641517 XKAWYPBMWYJFMC-BUXKBTBVSA-N 351.406 3.377 0 1 FGAF CCOC(=O)[C@@H]1[C@@H](C)CC=C[C@@]12NCC(C)(C)c1ccc3c(c12)OCO3 963389603 CIGBNNMPOPGNNG-UYTHQXMGSA-N 357.450 3.267 0 1 FGAF CCCN(CC1CC1)C(=O)CCc1nnc([C@@H](OC)c2ccccc2)o1 11753414 CTKDJBDOXUGHJT-IBGZPJMESA-N 357.454 3.387 0 3 FGAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@H]3CCCN3)s2)o1 12354920 ZXQJQEFTGODWHP-SNVBAGLBSA-N 366.512 3.411 0 1 FGAF COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1N 13473113 FUKUBTZESIVINN-UHFFFAOYSA-N 355.394 3.156 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 14494426 GUGLXICOVCCFRU-IPMKNSEASA-N 370.401 3.113 0 1 FGAF biogenic COc1cccc(NCc2cc(O)n3nc(-c4ccc(C)cc4)nc3n2)c1 14609038 OYCRVNINQCRPNU-UHFFFAOYSA-N 361.405 3.426 0 1 FGAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3ccccc3F)cn21 169330963 VCHOFCUXZNKQNL-CQSZACIVSA-N 357.429 3.131 0 1 FGAF Cc1ccc2c(c1)N(CCCC(=O)N(C)Cc1ccc(F)cc1)C(=O)CO2 203474514 QMEMWBADQVHTHE-UHFFFAOYSA-N 370.424 3.298 0 3 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2ccc(F)c(F)c2)nn1 203462763 UJXAONQFJZSYIJ-UHFFFAOYSA-N 358.348 3.014 0 3 FGAF Cn1nc(C(F)(F)F)cc1OC[C@H]1C[N@@]1Cc1ccnc2ccccc12 1857626756 CGPWNJUUKBGYCH-YMXBGEKHSA-N 362.355 3.250 0 1 FGAF O=C(NCCCN1CCN(c2ccccn2)CC1)c1cccc2ccccc12 1857768311 VCILBLFRYNCBAY-UHFFFAOYSA-N 374.488 3.177 0 1 FGAF O=C(CNc1ccccc1)CN1c2cccc3cccc(c23)S1(=O)=O 2492004 IDXBKCJAMBYREA-UHFFFAOYSA-N 352.415 3.030 0 1 FGAF Cc1onc(-c2ccccc2)c1CNC(=O)[C@@H]1COc2ccccc2O1 4389114 TXMFSDLLUNEETA-SFHVURJKSA-N 350.374 3.106 0 3 FGAF COc1ccc(-c2noc([C@H](C)NC(=O)C3CCCC3)c2C(=O)O)cc1 2356300372 UUJBEYBEVMNGGM-NSHDSACASA-N 358.394 3.416 0 1 FGAF Cc1nn2cnnc2c(C)c1CCC(=O)NCc1ccc(C(C)C)cc1 9721434 ZXKXKSJHHCEDRP-UHFFFAOYSA-N 351.454 3.114 0 1 FGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917897 SLEIUYBAUZPTKQ-BBFACKHPSA-N 350.499 3.293 0 1 FGAF C[C@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCCCC3)N2C1=O 26956654 MWDBXNUVOWLKLA-JLBUNGTFSA-N 351.450 3.061 0 1 FGAF CNC(=O)c1[nH]nc2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28525933 XYYQUSQQASXEKW-JUBNYVGKSA-N 351.450 3.045 0 1 FGAF COc1ccc2ccc(=O)oc2c1C=C[C@](C)(O)COC(=O)CC(C)C 2356763275 FPSUCNLAFSYJJZ-FQEVSTJZSA-N 360.406 3.155 0 1 FGAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)CC(C)C)C1 2356782061 CORPOBIVEWKOMG-WMEZAQDKSA-N 350.455 3.171 0 1 FGAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23CN4CCC[C@]4(C[C@@H]12)C(=O)N3 40860697 DXPVAKSJZFQGSS-DQLDELGASA-N 369.896 3.378 0 1 FGAF biogenic CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccco2)s1 82165886 HRHFKVHMXHCSEP-UHFFFAOYSA-N 356.451 3.384 0 1 FGAF CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4[C@@](C)(O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 225400006 CEUKMUFVUPQNCF-QJZPXWABSA-N 350.499 3.438 0 1 FGAF CCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1 43200604 TUGCCAPRWDWOQI-NSHDSACASA-N 367.388 3.250 0 1 FGAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@@H]4CCOC4)cc3)c12 96168356 IAKRLGNCJLVZPY-MRXNPFEDSA-N 350.422 3.414 0 1 FGAF COc1cc(-c2nnc(-c3ccc(O)cc3O)s2)cc(OC)c1OC 95586115 WDXDNEUERBHCDA-UHFFFAOYSA-N 360.391 3.309 0 1 FGAF CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 253791498 SLKDSLAWMQSCJY-CQOGHXNDSA-N 369.527 3.134 0 1 FGAF CC(C)=CCc1cc(C(=O)[C@H](O)Cc2ccc(O)cc2)c(O)c(C)c1O 43021227 MSONJMHJAJGDCI-GOSISDBHSA-N 356.418 3.407 0 1 FGAF biogenic COc1ccc2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@@H]1[C@@H]2OC 86039275 BDULBNWZNXYQBG-VAMGGRTRSA-N 358.390 3.432 0 1 FGAF biogenic O=C(Nc1ccc(F)cc1Cl)c1n[nH]cc1I 473097834 DGMURFGKKPBKAR-UHFFFAOYSA-N 365.533 3.059 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC2=O 587489940 XHUNPDVKZQYHBY-IBGZPJMESA-N 366.417 3.242 0 1 FGAF COc1cncc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168564 ZQLHAAMOCUFCGO-CQSZACIVSA-N 355.373 3.475 0 1 FGAF O=C1CC=C(c2nc3ccc(F)c(F)c3[nH]2)NN1Cc1ccc(F)cc1 587162250 AIEYFXFHSLXOTA-UHFFFAOYSA-N 358.323 3.258 0 1 FGAF O=C(O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084765 HXMVQCWFARUJCH-UHFFFAOYSA-N 357.801 3.089 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437803 LKUIWSWDVDJKIC-STYXZAMGSA-N 359.422 3.211 0 1 FGAF Nc1ncc(Cl)nc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587085976 AGVQMGGBXQEHRG-UHFFFAOYSA-N 360.002 3.066 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)nc1OC)[C@@H](C2)C3=O 587441519 GDWSMYPLEQEWEW-MGPUTAFESA-N 366.417 3.188 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(OC)c(OC)cc3[nH]2)c1Br 586980320 UYBYNZXVSJMGEN-UHFFFAOYSA-N 367.203 3.131 0 1 FGAF CC1=C[C@@]2(CC(=O)N1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587756767 FKQAVXBEEIPTCW-FVMDXXJSSA-N 353.235 3.084 0 1 FGAF COc1ncc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl 38459387 BOIHPGYPAGHAOJ-UHFFFAOYSA-N 368.629 3.246 0 1 FGAF COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1C 11998398 FSTKASPXOBKJOU-MRXNPFEDSA-N 369.465 3.089 0 3 FGAF COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1C 13451999 ASWLZURXLWNOQA-RUZDIDTESA-N 367.377 3.184 0 1 FGAF COc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)=O 169309713 HKKGVLWQOUHTHY-UHFFFAOYSA-N 361.394 3.414 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC1(C)CC1 206117389 OSHOEUXWOYAJAL-UHFFFAOYSA-N 361.449 3.431 0 1 FGAF CNC(=O)c1cc(Oc2cccc(-c3noc(CC(C)C)n3)c2)ccn1 1857763381 QKIWVCWLOYSWDN-UHFFFAOYSA-N 352.394 3.482 0 1 FGAF CCCCS(=O)(=O)/C=C\[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1S(=O)(=O)CCCC 4481704 JXCBAZUXWWKMNG-QJEPXZCESA-N 360.541 3.121 0 1 FGAF COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 2492263 WWFHXZNZWHCQAF-SFHVURJKSA-N 374.481 3.197 0 1 FGAF CC[C@]12CCCN3C[C@H](OC)[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 2356449889 BPDKTQZPNORXPH-MQGJPIDWSA-N 368.477 3.070 0 1 FGAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207573 VSAJFQHZRSCLBV-RDJZCZTQSA-N 362.813 3.178 0 1 FGAF COc1cc(Pc2cc(C)cc(C)c2)c(Br)c(OC)n1 101703568 MXZTWAAERYGGLH-UHFFFAOYSA-N 354.184 3.107 0 1 FGAF Cc1ccc(Nc2cc(=S)[nH]c(N)n2)cc1I 26289088 AEFFESLHWQAWFC-UHFFFAOYSA-N 358.208 3.378 0 1 FGAF O=C(NC1CCCC1)O[C@@H]1COCCN(c2nc3ccccc3s2)C1 2356553064 MMXIDQYSKSSVAZ-AWEZNQCLSA-N 361.467 3.170 0 1 FGAF CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)c2ccccc2N(C)C)s1 23214228 LZOTZAWRSXPBHG-MRXNPFEDSA-N 371.506 3.493 0 1 FGAF CCC(=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25973195 NQKANWBNWKADAO-UHFFFAOYSA-N 362.433 3.118 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 27641268 PXGPLTODNUVGFL-BOUVNZQDSA-N 354.487 3.043 0 1 FGAF endogenous,in-man COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)O2 36093312 GWGUPRNQVJIAAS-YIYPIFLZSA-N 372.202 3.115 0 1 FGAF C=C(C)[C@@H]1Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2O)CO3)O1 14825560 MWILFHFRKVPOMC-ZFWWWQNUSA-N 354.358 3.042 0 1 FGAF biogenic O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(O)c(F)c2)nnc1O 42989423 AGGRRECHHOVABN-UHFFFAOYSA-N 373.771 3.277 0 1 FGAF C[C@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 49938534 SSEQCILHYYXXBA-JEOXALJRSA-N 369.852 3.348 0 1 FGAF C[C@@]12[C@@H]3C=C[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O 142410555 FPLJEWPBDWOJCV-KVFNFIISSA-N 368.380 3.308 0 1 FGAF O=C(Nc1ccc(-c2cn[nH]c2)cc1F)N(CCO)Cc1ccccc1 95587124 WQGYKJCPHLVBDM-UHFFFAOYSA-N 354.385 3.242 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cnccn1)CC2=O 587469919 QBQXOAYFFXLCIL-ZBWUASRJSA-N 353.422 3.071 0 1 FGAF CCCOc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586911048 UYIFWDIQCOPXBR-SNVBAGLBSA-N 355.232 3.072 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C)nc2[nH]1 586985241 SNJPFGUQXBBEEJ-HNNXBMFYSA-N 373.254 3.449 0 1 FGAF COc1cc(-c2nc3cccc(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587220124 FDOWBNILDPPWLP-UHFFFAOYSA-N 353.422 3.450 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2c1 587251339 DFMMPKRBAFNJIS-KPKJPENVSA-N 370.478 3.346 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCSc3c(F)cccc31)NCC2 962924121 NAVZHQBQCGYXDB-HXUWFJFHSA-N 356.466 3.413 0 1 FGAF COc1cccc2cc3c(nc12)[C@@]1(CCN2Cc4ccccc4N[C@H]21)NCC3 963049820 AYJUKSZCQQDXAG-DHIUTWEWSA-N 372.472 3.242 0 1 FGAF Brc1ccc2c(c1)[C@@H](c1cnc3c(c1)OCCO3)NC1(CC1)C2 961615522 OUVPJEXFJLPHQQ-MRXNPFEDSA-N 373.250 3.383 0 1 FGAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2cc(Cl)ccc2c1 5850054 XXBVTBSTNLWCGN-UHFFFAOYSA-N 365.828 3.027 0 1 FGAF COc1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 14958404 HTVWCFLLANRGAP-UHFFFAOYSA-N 373.796 3.080 0 1 FGAF COc1ccc(S(=O)(=O)Nc2c(O)ccc3ccccc23)cc1OC 15952471 URVWFIZXKWZNQS-UHFFFAOYSA-N 359.403 3.363 0 3 FGAF CC1(C)CCC[C@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O 169729832 AHFYTUSXRFOCTM-OAHLLOKOSA-N 362.857 3.363 0 1 FGAF CC[C@]12CCCN3CC[C@]4(c5ccc(O)c(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 2356417275 WSZCASZURIXQMW-KDXIVRHGSA-N 370.493 3.432 0 1 FGAF C[C@H]1CCC2=NN(C(=O)c3ccc(N(C)C)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 4140709 DPWDQFFZSQUQCA-FABXCBLPSA-N 369.387 3.252 0 1 FGAF COc1cccc(C(=O)N2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)c1 2356290470 UGHMFEFEYDRVPK-QGZVFWFLSA-N 366.417 3.375 0 1 FGAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(CO)cc3CC[C@@H]21 117625233 RNZCSUKLFTVERS-RXVVDRJESA-N 361.445 3.390 0 1 FGAF CCN(CC)CCCOc1cc2c(cn1)[C@@H](c1ccc(OC)cc1)CNC2 28883559 SPBSCPKJFSEOAQ-HXUWFJFHSA-N 369.509 3.436 0 1 FGAF COc1ccc(CNC(=O)C=C2NC(C)(C)Cc3ccccc32)cc1OC 2356657869 WKIDVLGUJVDFJE-UHFFFAOYSA-N 366.461 3.285 0 1 FGAF O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12 35930868 NQPGPOHDYDEIQR-UHFFFAOYSA-N 360.417 3.412 0 1 FGAF CCCNC(=O)c1ccc(-n2cc(-c3cccc(Cl)c3)nn2)cc1O 71318972 ZELOIYUUQJLHQI-UHFFFAOYSA-N 356.813 3.433 0 1 FGAF O=C(OCC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 473093083 SUCWAHRDTWPXFJ-UHFFFAOYSA-N 353.418 3.484 0 1 FGAF CN(C)C(=O)c1cc(F)c(-n2ncc3ccc(Cl)cc3c2=O)c(F)c1 587651058 ARNLNTAYDTVKLE-UHFFFAOYSA-N 363.751 3.019 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN[C@H](C(=O)O)[C@@H]31 587108256 YMFHBXUJIMTZGC-NREMSKCFSA-N 370.408 3.149 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc1OC2=O 587612115 UFMDTHMFGCGZSS-AVRDEDQJSA-N 374.348 3.254 0 1 FGAF O=C(c1cc(Cl)ccn1)c1c(CO)oc2cc(Br)cnc12 587276389 NQNYUPBVTDNDOA-UHFFFAOYSA-N 367.586 3.362 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](OC)O1 587833873 PQZAXSQWCLBMSO-WMJQNZJOSA-N 374.250 3.145 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]cncc1-2 587589454 OXPBCSFDWWBTMI-LPHOPBHVSA-N 359.341 3.318 0 1 FGAF CCOC(=O)C[C@]1(c2cncn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587515055 ITOZZBVWJZZPRK-NRFANRHFSA-N 368.433 3.113 0 1 FGAF NC(=O)c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120948 KJUDCJKTXGWFOB-UHFFFAOYSA-N 363.221 3.090 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-n3cnnn3)c1)CC2=O 587479825 UWXRBOHXQBUFGG-HXUWFJFHSA-N 364.405 3.201 0 1 FGAF N=C(N)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587004918 DCPDGPXNVFFFMC-UHFFFAOYSA-N 350.607 3.325 0 1 FGAF CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649328 HTDIBBZNWGOOED-UHFFFAOYSA-N 365.357 3.442 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 586973896 RYTVVFCPKKSALZ-INIZCTEOSA-N 369.446 3.402 0 1 FGAF CN1C=C[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587335668 HZPXFBIPWXYFLF-ICSRJNTNSA-N 353.349 3.005 0 1 FGAF Nc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1N 587082149 LTRKAXWBQCQXRB-UHFFFAOYSA-N 354.801 3.281 0 1 FGAF COc1cc(F)ccc1-c1ncnc2c1cnn2CCN1CCCCC1 207181255 AKKHAWGBHNXUOY-UHFFFAOYSA-N 355.417 3.127 0 1 FGAF CC(=O)C[C@@H](c1ccc([S@](C)=O)cc1)c1c(O)c2ccccc2oc1=O 5159718 AQJSRROQSBLBDW-YHAMSUFESA-N 370.426 3.347 0 1 FGAF CCCC(CCC)C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1 13471989 KPJDVEHDTNHFPM-UHFFFAOYSA-N 356.469 3.066 0 1 FGAF Cc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 167255038 RENDBSLEAOPBLO-CALCHBBNSA-N 358.445 3.147 0 1 FGAF O=C(Nc1cc(-c2[nH]c(CO)nc2-c2ccc(F)cc2)ccn1)C1CC1 1857552537 KWAVLFMTWZNHCQ-UHFFFAOYSA-N 352.369 3.119 0 1 FGAF Nc1nc(N2CCCCC2)sc1C(=O)c1cc2ccccc2oc1=O 1857760390 YQVSLJGBFWBMOJ-UHFFFAOYSA-N 355.419 3.053 0 1 FGAF COc1ccc(C2=NN(C3CCOCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 26569003 LDQZVKGBHAZGGR-SJORKVTESA-N 370.449 3.012 0 1 FGAF CCC=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@H](C(C)(C)O)O3 2356351271 TXJURQFVPQLVFY-QGZVFWFLSA-N 374.433 3.402 0 1 FGAF CC(C)CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 2456772 XWQPGJGMTGYUPQ-QHCPKHFHSA-N 351.859 3.273 0 3 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 3933622 KOBUOXDVUDRKJX-HNNXBMFYSA-N 360.834 3.436 0 1 FGAF CSc1c(Cl)nc(N2CCN(C)CC2)nc1NCc1ccccc1 29203198 FKEHZWVMMSYOQK-UHFFFAOYSA-N 363.918 3.216 0 1 FGAF CN1CC[C@@]2([C@@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@@H]12 64624404 GSQUXSFTXJRLQJ-WBADGQHESA-N 360.505 3.061 0 1 FGAF in-vitro CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2)on1 61927391 ZGZBAKIFRSJLDL-QGZVFWFLSA-N 371.437 3.190 0 3 FGAF CN[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@H](C)[C@@H]2CC[C@@H]34)C1 2356516230 PSCHPNOCVHDNMF-OLAYXMMGSA-N 359.510 3.050 0 1 FGAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]23C)CO1 2356518370 OGMABKWVTZVRID-NNTJEXOVSA-N 366.498 3.080 0 1 FGAF CCCCCC[C@@H](C(=O)O)n1cnc(NC(=O)c2ccccc2C(=O)O)c1 27519195 DLWQPWINAKOTAS-HNNXBMFYSA-N 373.409 3.430 0 1 FGAF CO[C@@H]1C=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](O)CC[C@@]1(C)O 2356751174 MSXZCYVPXWHMLP-VURPSTOHSA-N 366.498 3.292 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C(=O)O 2356756868 XRNBWDCHEVBWJH-MQZHODQLSA-N 362.422 3.017 0 1 FGAF CC(C)c1cc(Cc2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O 34842575 HNQWGSLKZWUEDQ-UHFFFAOYSA-N 355.221 3.418 0 1 FGAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccccc1 33845423 KXQKSBAGVQMQSN-FBMGVBCBSA-N 352.342 3.105 0 1 FGAF CCOCCOC(=O)c1c(SC)nn(-c2ccc(Cl)cc2)c1N 40955394 INKHQUQMQAVKMQ-UHFFFAOYSA-N 355.847 3.023 0 1 FGAF COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CC[S@@]3=O)cc1 40504962 XUHYHIPIGBPDJL-RUZDIDTESA-N 354.431 3.356 0 1 FGAF Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)c(Cl)c3)n2C)n(C)c1=O 95593461 PWIURQJUJAHQCK-GQCTYLIASA-N 364.232 3.053 0 1 FGAF CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1F 96903287 MZAHRLSUQXJYTB-KRWDZBQOSA-N 359.441 3.381 0 1 FGAF COC(=O)[C@]12Cc3ccccc3[C@@H]1C[C@@H](C)[C@H](C)N2C(=O)C(F)(F)F 254014527 XLELXJZZMSCKDP-IWBURCCVSA-N 355.356 3.057 0 1 FGAF N[C@H]1CC[C@H](Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1 253681770 FGLRSCIZYHXTBC-SHTZXODSSA-N 369.517 3.445 0 1 FGAF Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3O)nn2c(O)c1C 299871960 ZOUBAQVDDJKDCB-INIZCTEOSA-N 366.421 3.125 0 1 FGAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@H](O)CC1 473233359 ZNOWDBTVMJEFSD-CQIVLNHVSA-N 357.494 3.384 0 1 FGAF C[C@H]1CN(C)[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580303 BXHGISQXQNCNQY-LXQILGGGSA-N 353.418 3.453 0 1 FGAF COC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833711 HNPBSEHFTKPZBL-GTNSWQLSSA-N 372.278 3.391 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1nccn1C)CC2=O 587470899 MVBKCYMBIKYVJI-NRFANRHFSA-N 363.417 3.382 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587092131 SAYVPFWFDXOSQW-UHFFFAOYSA-N 364.327 3.268 0 1 FGAF N[C@@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587157844 UGTVACCJZUPSDV-BUXKBTBVSA-N 351.360 3.368 0 1 FGAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N(C)C 587431067 YJVIXKRPOQTSAM-QRWLVFNGSA-N 367.401 3.037 0 1 FGAF COc1nccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587019603 QRNBSZUAHLTBOM-UHFFFAOYSA-N 371.447 3.328 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccco2)N1 587830733 ULJQMDUHPRMJGX-GLEZIHRCSA-N 354.175 3.044 0 1 FGAF CN(Cc1nc2cc(Cl)cc(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169932 LJVQMCSIFXEFJK-UHFFFAOYSA-N 371.796 3.315 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccn2n1 587589908 YRKYHBRMNHDWDL-LPHOPBHVSA-N 359.341 3.138 0 1 FGAF N=c1[nH]c2nc(-c3ccnc(SCC(F)(F)F)c3)nc-2c(Cl)[nH]1 587092177 SMZPRDGSAUAMLR-UHFFFAOYSA-N 360.752 3.087 0 1 FGAF Cc1nc2ccc(-c3cc(N)[nH]c(=N)c3)nc2n1C[C@@H](C)Oc1ccccc1 1857611857 PUGXENIKUPHCAF-CYBMUJFWSA-N 374.448 3.264 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 3830708 PXGPLTODNUVGFL-BWEMOPLBSA-N 354.487 3.043 0 1 FGAF COc1ccc(C2=NN(CCC(=O)N[C@@H]3CCCC[C@H]3C)C(=O)CC2)cc1 4712726 FUJTXGXNXRHXLQ-CRAIPNDOSA-N 371.481 3.107 0 3 FGAF CC[C@H](C(=O)NC1CCCCC1)n1c2ccccc2c2nc(=O)cc(C)n21 6795714 JBKHIURMOGRQNN-QGZVFWFLSA-N 366.465 3.358 0 3 FGAF Cc1ccc(N2CCN(CCNC(=O)c3cc4ccccc4o3)CC2)cc1 28476271 GINKFYFSAYJAIE-UHFFFAOYSA-N 363.461 3.293 0 1 FGAF COc1ccc([C@@H]2OCO[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 26148966 IGNXTCFTYHDNNY-ROUUACIJSA-N 362.378 3.213 0 1 FGAF O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2ccc(F)cc12 49034841 YXCBVZRAABWHKG-AWEZNQCLSA-N 362.401 3.287 0 1 FGAF COc1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1 40404097 GBDVGAJUKZQRFB-UHFFFAOYSA-N 368.506 3.486 0 1 FGAF in-vitro C[C@@H](c1cc(Cl)cc(Cl)c1)N(C)c1ncc2c(N)nc(N)nc2n1 230562130 UCTWSKPOBKSLHG-ZETCQYMHSA-N 364.240 3.088 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCC3)cn2)cn1 96175478 JTQHWIVEFQFXTH-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2CCC2CCCCC2)cc1 299853720 OSBFHNRSIJPKOW-IBGZPJMESA-N 356.514 3.022 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCn2cncn2)N1 587758928 JUIMBPLSWZBFIC-BMIGLBTASA-N 353.239 3.019 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(=N)[nH]c2)N1 587742563 ASJIYEBXBKPCBG-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF C[C@]1([C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359879 SORZGFKYBJSQMS-RIFZZMRRSA-N 356.349 3.212 0 1 FGAF O=C(Cc1cccc(Br)c1)[C@@H]1NCCc2nc3ccccn3c21 962987463 WOUIUZRORCTOHP-KRWDZBQOSA-N 370.250 3.095 0 1 FGAF NC(=O)N1CCc2sccc2C12CCC(CO)(c1ccccc1)CC2 962717792 VLQALRQMMKTJMB-UHFFFAOYSA-N 356.491 3.385 0 1 FGAF CC1(C)C(=O)OC[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962948475 ACZUCQPJYMTOMK-SFHVURJKSA-N 369.383 3.135 0 1 FGAF COC(=O)[C@@H]1CC(C)(C)C[C@@]12c1cc(OC)c(OC)cc1C[C@@H](C)N2C 962631066 QGBHNADIHYFHCF-ZQWRNJAYSA-N 361.482 3.385 0 1 FGAF CCN(CC)CC[C@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)O 12480668 ZAOLWZHHVXIRHJ-ROUUACIJSA-N 352.519 3.238 0 1 FGAF biogenic CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)n2nnnc2N1 13123525 PUZBXPQQXUOTIZ-AWEZNQCLSA-N 372.841 3.316 0 3 FGAF NC(=O)c1ccccc1Nc1ccnc(Nc2ccc(-n3ccnn3)cc2)c1 169330394 JTBGYUCLPOTIMW-UHFFFAOYSA-N 371.404 3.248 0 1 FGAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ncc(C(N)=O)s4)c3c2)o1 204776917 QMLTXQZCXWHPPX-UHFFFAOYSA-N 368.422 3.261 0 1 FGAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1OCCO 2006850 NFSVUJIJKGNQIM-KRWDZBQOSA-N 365.216 3.118 0 1 FGAF COc1ccc(-c2cc(NO)c(C(=O)NCc3ccccc3)c(=O)o2)cc1 103238524 ZVCCPFBEESJILL-UHFFFAOYSA-N 366.373 3.047 0 1 FGAF CCCCCc1cc(OC(=O)c2ccc(O)cc2O)cc(O)c1C(=O)O 103299761 TXPYGGOFOZOYOX-UHFFFAOYSA-N 360.362 3.454 0 1 FGAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C 66104446 PDQMNJYIIDOUMK-WBVHZDCISA-N 363.458 3.056 0 1 FGAF COc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117585588 MKNIPDRRTRTMNQ-UHFFFAOYSA-N 355.438 3.206 0 1 FGAF CC1(C)N=C(N)N=CN1c1ccc(CCc2ccc3c(c2)OCO3)cc1 29414798 QSFVPRSKRREJRH-UHFFFAOYSA-N 350.422 3.100 0 1 FGAF COc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCc2ccncc2)cc1 28757787 YNNOZRJLKXDMDP-UHFFFAOYSA-N 374.396 3.472 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)CC=C2C[C@@H](OC2=O)[C@@H]1C(C)C 2356579837 FUUBZHATRHDAMW-CZIOMAOESA-N 350.455 3.169 0 1 FGAF COc1ccc2c(c1)CN(C(=O)NC1CCCCC1)CC[C@@H]1COC(=O)N21 2356644432 GDBAIIJWXGQXIM-MRXNPFEDSA-N 373.453 3.268 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61895669 WFVWLMIINQQRGH-KRWDZBQOSA-N 372.387 3.354 0 3 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@]4(C)CCCO4)ncc23)ccn1 261084116 CGISVMLVQDBHFI-IBGZPJMESA-N 366.425 3.019 0 1 FGAF COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CO)Cc2ccccc2)co1 621430407 VGTMCQQCTZXYJK-QGZVFWFLSA-N 369.392 3.428 0 1 FGAF 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BYUPLLRHRZGTDQ-ORAYPTAESA-N 353.399 3.012 0 1 FGAF O=C(O)C(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528844 FJEMSLPOTMAHSP-JOCHJYFZSA-N 364.397 3.470 0 1 FGAF COc1cc(C(=O)NC[C@H](O)c2cccc(Cl)c2)ccc1-c1cn[nH]c1 1772589173 OORBXCUUHIIWJV-KRWDZBQOSA-N 371.824 3.202 0 1 FGAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(c2ccccn2)C1 1772569979 AVFLLFMZYVULBF-CYBMUJFWSA-N 364.453 3.202 0 1 FGAF COC[C@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)C1 11948734 AHYMHBMFTOOMFA-HNNXBMFYSA-N 370.449 3.241 0 3 FGAF COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2CC3)sc(C)c1C 13144064 CTESPVHSEOQRTH-XCCSTKFXSA-N 363.435 3.003 0 1 FGAF CCN(CC)C1=NS(=O)(=O)C(c2ccccn2)=C1c1ccc(OC)cc1 13648821 NYRMVHXINQQQLT-UHFFFAOYSA-N 371.462 3.042 0 1 FGAF O=c1c(-c2ccc(O)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12 13861561 JYELSORFHCQDSM-UHFFFAOYSA-N 368.396 3.465 0 1 FGAF CC1CCN(C2=NC(=O)N(c3ccc(Br)cc3)C(=O)C2)CC1 201454833 FNKZCMYFZJOPQF-UHFFFAOYSA-N 364.243 3.436 0 3 FGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1 205633190 DXXJDGIZZRMJON-UHFFFAOYSA-N 365.364 3.092 0 1 FGAF COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]nc2c1Cc1ccc(OC)cc1-2 1857657016 SIFLTAVSRHVYJD-YBEGLDIGSA-N 359.385 3.491 0 1 FGAF O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c2ccccc12 3817506 PJCRJVPZJMTMTB-UHFFFAOYSA-N 352.459 3.082 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61927893 CSKCFRYCUPMTIR-KRWDZBQOSA-N 356.388 3.474 0 3 FGAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1 28526792 YMVJGSUQEASWAC-UHFFFAOYSA-N 372.852 3.463 0 1 FGAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CC(C)C)C=C[C@@]31CCN(C)C2 27648036 NCWKOKRSUPWLAM-ZJBJCVSYSA-N 371.477 3.447 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=CCCCC(=O)OC)C[C@H]12 2356599667 ILBOWKBQZSFVCD-LFAQGZIKSA-N 364.482 3.273 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]21 2356618352 OCPGSVYCKLXPSO-APMUSUOTSA-N 362.510 3.293 0 1 FGAF CC(C)=CCc1ccc2c(C[C@H]3NC(=O)[C@@H](CC(C)C)NC3=O)c[nH]c2c1 2356698132 IQXLYGNDMKLCLM-WOJBJXKFSA-N 367.493 3.248 0 1 FGAF COc1cccc(OC)c1OCCNC[C@@H]1CSc2ccccc2C1=O 26394665 WJWSUXMWMMKJBC-CQSZACIVSA-N 373.474 3.277 0 1 FGAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)CCC1CCCC1 61902448 NOXRVXMRJWCFDI-HXUWFJFHSA-N 358.438 3.315 0 3 FGAF CC(C)(OC(=O)c1ccccc1)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 14689178 KXVWBXSKPCDING-OAHLLOKOSA-N 366.369 3.438 0 1 FGAF biogenic CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc(Cl)cc2)C1 84708989 SUAOBUCYHGSOBR-UHFFFAOYSA-N 362.857 3.426 0 1 FGAF CC1(C)CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146186485 AOQJVECXJNNKAZ-UHFFFAOYSA-N 365.424 3.340 0 1 FGAF CCCCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)[C@H]1CCCN1 148366890 MCNHRZVPBHWKHL-MOPGFXCFSA-N 365.562 3.376 0 1 FGAF COc1cc(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)cc(OC)c1 144421403 GCPFDXOLQNQCTI-UHFFFAOYSA-N 362.451 3.136 0 1 FGAF COC(=O)/C(=C\c1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccccc1 140044367 OBAIWMSXUQQVAB-LDADJPATSA-N 355.415 3.464 0 1 FGAF COC(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596081 ULAAMUWLIFGJQW-FXAWDEMLSA-N 354.358 3.066 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C)nc2[nH]1)C(F)(F)F 587091462 DGRNJMWUWXTXLE-MRXNPFEDSA-N 350.344 3.430 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)O)cc3[nH]2)CCC(=O)CC1 587233777 CPRGPFSMHFDGOK-UHFFFAOYSA-N 373.409 3.124 0 1 FGAF COc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774206 TXOKCUDIXJADBY-GLEZIHRCSA-N 352.207 3.010 0 1 FGAF CCOC(=O)Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587777435 LQHAJDIHIFBIQD-UHFFFAOYSA-N 354.362 3.247 0 1 FGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(F)c(F)c3[nH]2)cc1 586925631 IBVANANSMFKXOB-UHFFFAOYSA-N 364.373 3.060 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COCOC2)N1 587836683 XGWHKUPMOOAMDO-HWPZZCPQSA-N 358.251 3.348 0 1 FGAF O=C(O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587527255 UDXOIDAYOSYPQW-NRFANRHFSA-N 363.369 3.076 0 1 FGAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452260 KGSZYJHCBKVMRN-VFNWGFHPSA-N 350.370 3.210 0 1 FGAF CCN(C)C(=O)Oc1cccc([C@@]2(C)NCCc3nc4ccccn4c32)c1 962984817 NVCWLSDAWLVWID-OAQYLSRUSA-N 364.449 3.194 0 1 FGAF COCC[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239491 XBJYBBDEBIXVNS-IFMALSPDSA-N 362.429 3.114 0 1 FGAF Nc1nc(Cl)c([C@H]2NCCc3c(C(=O)O)cccc32)n1-c1ccccc1 963130189 IPVAYLKNYBINPC-HNNXBMFYSA-N 368.824 3.041 0 1 FGAF O=C1O[C@H](Cn2cc[n+]3c2CCCC3)CC1(c1ccccc1)c1ccccc1 13651201 NDKIYEMCQXKMCO-NRFANRHFSA-N 373.476 3.414 0 1 FGAF CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)C1CC1)CCO2 14881641 XYWPIIPDHJBYEF-UHFFFAOYSA-N 365.477 3.235 0 1 FGAF CCCCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@H](O)CCCC(=O)O 169622188 RZCPXIZGLPAGEV-OSKTZCGQSA-N 354.487 3.043 0 1 FGAF CC[C@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729841 INNHEOWFFKWYPN-XJKSGUPXSA-N 362.857 3.363 0 1 FGAF CN1CCN(c2ccc(Nc3[nH]nc4c3-c3ccccc3CO4)cc2)CC1 1857614511 DNPORMPRNUOZFJ-UHFFFAOYSA-N 361.449 3.465 0 1 FGAF CC(C)[C@H]1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21 1857649003 MJCWPISTEYQNBA-CQSZACIVSA-N 358.442 3.372 0 1 FGAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N1CC(F)(F)C1 1911573677 CTQHCGSVDQJGCJ-UHFFFAOYSA-N 359.298 3.419 0 1 FGAF Cn1c(C(=O)NC2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21 4938689 SNUABWFEUMGPLN-UHFFFAOYSA-N 351.450 3.483 0 3 FGAF CCN(CC)[C@H](C)CCN1C(=O)C[C@@]2(CCCc3cc(OC)ccc32)C1=O 27618154 SAKMFRUGJVRBKD-OPAMFIHVSA-N 372.509 3.149 0 1 FGAF CCCN(CCC)CCNc1n[n+](=O)c2ccc(C(C)(C)C)cc2n1O 28867200 WPFUDLVQVWRYGB-UHFFFAOYSA-N 362.498 3.020 0 1 FGAF C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)CCc1ccccc1 61895528 SGJKPZMPJDPKSU-OAQYLSRUSA-N 362.433 3.125 0 3 FGAF Cc1cc2c(cc1C)[n+]([O-])c(C(F)(F)F)c(C(=O)c1cccs1)[n+]2[O-] 28861750 BJUVRLKHMYWIFC-UHFFFAOYSA-N 368.336 3.035 0 1 FGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 33820089 RMTGEJMSAQEYGS-UHFFFAOYSA-N 372.424 3.007 0 1 FGAF CN1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223903 AHMWYDXFMUSDLV-ZHRRBRCNSA-N 373.412 3.222 0 1 FGAF CC(=O)NCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 82166268 XARNSKWPAXCFFT-UHFFFAOYSA-N 357.439 3.025 0 1 FGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCCCCC1 195488005 UWMPGOAGBPHVMM-RGCFKVTRSA-N 364.445 3.014 0 1 FGAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cccc21 143653471 DSECKRMJCNNOEI-MRXNPFEDSA-N 367.380 3.323 0 1 FGAF COC(=O)[C@]12CCC[C@]3([C@H]4Cc5occc5[C@H](C)[C@@H]4CC[C@@H]13)[C@H](O)OC2 238766722 FBOCRPKLWNKMFW-MSNLLUPDSA-N 360.450 3.260 0 1 FGAF COc1cc(-c2ncn(CCC(=O)OC(C)C)n2)cc(C(F)(F)F)c1 95921015 QJLVYXNWBWLHFD-UHFFFAOYSA-N 357.332 3.314 0 1 FGAF in-vitro CCN1C(=O)C(c2ccc(F)cc2)=C(c2ccc3c(c2)NC(=O)CO3)[C@H]1C 96283369 PORRNAABVGMIRR-GFCCVEGCSA-N 366.392 3.318 0 1 FGAF Cc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(Cc3ccsc3)C[C@@H]2O1 299842614 VQRQWNZHGPZLIC-NXHRZFHOSA-N 357.479 3.070 0 1 FGAF COc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cn1 586965579 LZCIEQGZDNYKSG-UHFFFAOYSA-N 366.450 3.363 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cc(C)cnc2[nH]1)C(F)(F)F 587093326 SKMCXYJVSMSBKA-MRXNPFEDSA-N 350.344 3.430 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncnn3c2)N1 587796101 PFNQMKDDZFDARS-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF C=C(C(=O)O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O 587940358 KBAZWSCJEPYVFT-UHFFFAOYSA-N 358.575 3.402 0 1 FGAF O=C(CSCc1nc2cncnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114728 XTNZFOSNWCSPCN-UHFFFAOYSA-N 367.356 3.244 0 1 FGAF CS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587091749 IHILCBHYHJZNDM-UHFFFAOYSA-N 359.329 3.116 0 1 FGAF O=C(c1ccccc1)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 587027310 AURZCIADFBBXIU-UHFFFAOYSA-N 362.414 3.180 0 1 FGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccccc2[nH]1 586964816 GEJPKIKHDUUTRH-UHFFFAOYSA-N 353.455 3.020 0 1 FGAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587070961 YQLAAPRVOBEHLI-ZETCQYMHSA-N 350.209 3.400 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4nn(-c5ccccc5)nc41)[C@@H](C2)C3=O 587434522 AANZFAUNXFQETL-AOMKIAJQSA-N 373.412 3.255 0 1 FGAF COC(=O)CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517379 MDAKBOSPBLKZDA-SFHVURJKSA-N 354.406 3.032 0 1 FGAF COC(=O)[C@@H]1CC(C)(C)C[C@@]12c1cc(OC)c(OC)cc1C[C@H](C)N2C 962631063 QGBHNADIHYFHCF-UYTHQXMGSA-N 361.482 3.385 0 1 FGAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CCC3)nc12 1772581966 GIBBLRAUSPTSMN-UHFFFAOYSA-N 362.842 3.411 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CC[C@H]3C[C@@H]32)c1O 1772582345 FCUJJUONMWBUFF-JBLDHEPKSA-N 372.874 3.148 0 1 FGAF Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)c1 12075756 RQBUPQYJQCQNFI-OAQYLSRUSA-N 364.489 3.483 0 3 FGAF COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3c(C)c1-2 13434286 XWCVASCMRTXXRY-UHFFFAOYSA-O 352.410 3.390 0 1 FGAF biogenic,in-vitro CC(C)C/C=C1\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13517869 OZBVCLQSUOXWKI-GNYRPXIHSA-N 354.487 3.498 0 1 FGAF COc1cc(N)c(Cl)cc1NC(=O)OCCN1C[C@@H](C)C[C@@H](C)C1 13762243 UQNSMXLBEKDRQR-TXEJJXNPSA-N 355.866 3.457 0 1 FGAF COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c2c(c1CCC(=O)O)CCCC2 13809124 QKVUBIOLQLJVKI-WJDWOHSUSA-N 366.417 3.412 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCC(=O)O 169622173 VRHOOVVYFPUEHK-RFVHISQKSA-N 352.471 3.251 0 1 FGAF CC(C)=C1N(S(=O)(=O)C(F)(F)F)CC[C@@]12CN(C)c1ccccc12 206037419 GFNCHQKMNYUKKV-HNNXBMFYSA-N 360.401 3.223 0 3 FGAF O=C(c1cccc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1 1857564296 GICOGTDKLPJGSS-UHFFFAOYSA-N 356.788 3.394 0 1 FGAF O=C([C@H]1C[C@H](NCc2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1 1857629335 IGBOMRFQBQSZPX-XZOQPEGZSA-N 371.484 3.202 0 1 FGAF O=C(O)c1cccc(-c2csc(=N[C@H](Cc3ccccc3)C(=O)O)[nH]2)c1 1857640028 FCBVYRWDGNZYQE-OAHLLOKOSA-N 368.414 3.038 0 1 FGAF CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 602622 XFCOCCMXXFTEEC-UHFFFAOYSA-N 352.438 3.049 0 1 FGAF N[C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1 6018579 ZERQUADNLKJZLR-BJLQDIEVSA-N 356.853 3.259 0 1 FGAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccccc1F 104996360 ZEQBPRSWBYYNAO-UHFFFAOYSA-N 353.382 3.328 0 1 FGAF O=C(CSc1nnc(COc2ccccc2)o1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101267215 XWHDROLVRNMLEI-UMVBOHGHSA-N 359.451 3.046 0 1 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@H]2CC[C@H]1N2 100762015 PETAHELMBJGYJY-SQRFFALQSA-N 350.256 3.449 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H](CC(=O)[C@H]4CCC[C@H]43)[C@]3(C)OC(=O)CC[C@]34CC[C@@H]1[C@@H]24 2356439642 XWNUAACCLIULKG-UBOCSKCCSA-N 357.494 3.186 0 1 FGAF COC(=O)c1cc(=O)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]1 104336578 ZSHIZFLHLVNGJW-UHFFFAOYSA-N 355.099 3.278 0 3 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1[C@@H](O)C=C2C1=CC(=O)OC1 118937399 LOUCJBIZSPLEFL-KGYLXQFMSA-N 372.505 3.380 0 1 FGAF endogenous,in-man COc1ccc2[nH]c(N3CCN(c4ncccc4Cl)C[C@H]3C)nc2c1 28345623 QMCSRFHZOUUSFJ-GFCCVEGCSA-N 357.845 3.335 0 1 FGAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 28955022 LONXUDVWONZAOP-INIZCTEOSA-N 351.424 3.008 0 1 FGAF COc1ccc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(OC)c(OC)c2)cc1O 2356664015 DJHDOMQWAUJNKX-UFNANVBGSA-N 372.417 3.493 0 1 FGAF CC(C)NC[C@H](O)COc1ccc(CCOCCOc2ccccc2)cc1 29329715 PKZYTIYNCWDIPJ-FQEVSTJZSA-N 373.493 3.062 0 1 FGAF CN[C@@H]1CC[C@]23[C@H](O)[C@@H]4C=C[C@H]5C[C@@]4(C)C[C@@](O)(C5)[C@@H]2C[C@]32CCC[C@@H]12 2356711697 QDPANORNHMPXKQ-ICZPWHJDSA-N 357.538 3.259 0 1 FGAF N=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1 33836622 MIMVUHYHAXPADM-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF in-vitro COc1ccccc1-n1c(C)nc2cc(C(=O)NC[C@H]3CCCO3)ccc21 37866814 WIRMHGGRDZOGIT-MRXNPFEDSA-N 365.433 3.251 0 3 FGAF COC(=O)c1cc([C@@H](O)CN[C@H](C)CCCc2ccccc2)ccc1O 45169087 MVIONHNYRFQXIN-QRWLVFNGSA-N 357.450 3.213 0 1 FGAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3[nH]ncc23)c(C)c1 43129900 NSSNFTZCXTZOJA-HNNXBMFYSA-N 372.494 3.267 0 1 FGAF C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CC(=O)O 40165400 VUDYWBBYQWVFAG-DCQCMACTSA-N 374.477 3.149 0 1 FGAF endogenous,in-man COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC(=O)[C@@]12C 238763932 JIQFBMQXZGTZHF-RAAJRFSQSA-N 360.450 3.381 0 1 FGAF COc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 95572661 PCHZLMABWCSRJR-UHFFFAOYSA-N 363.421 3.127 0 1 FGAF COc1cc2cnnc(N3C[C@@H](O)C[C@@H](c4ccccc4)C3)c2cc1OC 474602084 AFWWBLFDSTUDIV-SJORKVTESA-N 365.433 3.002 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587419426 DYWDMWTXBKEJFH-ORAYPTAESA-N 356.761 3.301 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1cnccn1)(c1ccccc1)[C@@H](C2)C3=O 587435248 DYMLWEVPAGYEOD-PGRDOPGGSA-N 358.397 3.371 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587260592 ZYTBNGTXVBUXFA-ZDUSSCGKSA-N 373.844 3.318 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586888528 KMYWOBQELUHWGN-OXJNMPFZSA-N 367.474 3.185 0 1 FGAF COCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587585933 IQWYABQCHATVDS-XLIONFOSSA-N 364.357 3.032 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587038904 CBKBEZFXKISXRD-AWEZNQCLSA-N 374.466 3.430 0 1 FGAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCCC1 587567811 AEDOWDLNNJXVJT-ZWKOTPCHSA-N 367.401 3.029 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175908 XWXBLOOYSCFXMR-HNNXBMFYSA-N 365.412 3.128 0 1 FGAF CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)CC4 587211115 CEZDSMKSZUKVAC-IFXJQAMLSA-N 363.413 3.016 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 587764161 OOUZXDDDPNWRGQ-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF O=C1NCN(c2ccc(Cl)cc2)C12CCN(Cc1ccccc1)CC2 140590240 RGHDGRGJOSPDHW-UHFFFAOYSA-N 355.869 3.269 0 1 FGAF COc1cnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)c2c[nH]nc12 169705965 NNOVSELDVWYHRR-UHFFFAOYSA-N 363.377 3.126 0 1 FGAF O=C(NCc1cccnc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721990 PQTWLESIPPHELH-IYBDPMFKSA-N 373.412 3.354 0 1 FGAF CC(C)(C)c1cc(C(=O)N=c2cc[nH]cc2)cc(C(=O)N=c2cc[nH]cc2)c1 1857555016 JKZWCTGLAQAIRK-UHFFFAOYSA-N 374.444 3.123 0 1 FGAF CCOc1ccc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)cc1 767460 ZUJAWRIGDPAYIB-NRFANRHFSA-N 352.434 3.185 0 1 FGAF CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1 4238997 VDHCNRLQZRDOEF-UHFFFAOYSA-N 363.446 3.029 0 1 FGAF COc1ccc2c(c1OC)-c1c3c(cc4c1[C@@H](C2)N(C(C)=O)CC4)OCO3 2356409218 CEWDVWJEOAUXIY-CQSZACIVSA-N 367.401 3.101 0 1 FGAF CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccc(F)cc1)c(=O)n2C 100988370 IRLJXMZPFMTZCP-UHFFFAOYSA-N 372.421 3.382 0 1 FGAF COc1cccc(F)c1Cn1cc(C(=O)NCC2CC2)c2ncccc21 103248026 PUQADZNQSGFEON-UHFFFAOYSA-N 353.397 3.372 0 1 FGAF CCOC(=O)c1oc2cccc(OCCNCc3cccnc3)c2c1C 103277980 PSFVQECUPXWTRX-UHFFFAOYSA-N 354.406 3.482 0 1 FGAF COc1ccc2c(c1)OC[C@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 103177636 LRIJTDJEHIKGDZ-OPAMFIHVSA-N 365.429 3.289 0 1 FGAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1ccc(O)c(C(=O)O)c1 28382732 RZUPSYPYOYBGEM-VLGSPTGOSA-N 361.810 3.438 0 1 FGAF CCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1Br 64454252 KMQSPGDYXVNUDZ-ZDUSSCGKSA-N 369.303 3.234 0 1 FGAF CN(C)CCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 20032949 MJDVYJOIYQPNOW-LJQANCHMSA-N 372.900 3.261 0 1 FGAF COc1ccc(-c2coc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 26838697 KAZIABYMORIEIP-UHFFFAOYSA-N 357.362 3.132 0 1 FGAF O=C(NCc1ccccc1)[C@H](CCO)N1CCC(Cc2ccccc2)CC1 66101129 QBXQUHDWRHHXNO-QFIPXVFZSA-N 366.505 3.009 0 1 FGAF O=C(c1cccs1)N1CCC[C@H](c2nnn(-c3cccc(Cl)c3)n2)C1 49045951 BFDUPMSTYVRARD-LBPRGKRZSA-N 373.869 3.397 0 1 FGAF NC(=O)[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccco1 49112620 WMQZMNYQCXNNHB-LJQANCHMSA-N 354.381 3.314 0 1 FGAF CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40409724 RVDPUENQQQYFQZ-QAPCUYQASA-N 372.469 3.271 0 1 FGAF CC(=O)OCC1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40394053 KHZSUAVRDWQLGZ-INIZCTEOSA-N 360.834 3.436 0 1 FGAF O=C1OCC2=C1[C@H](c1cccc(OC(F)F)c1)c1cc3c(cc1O2)OCO3 42878943 IPLWIPGYGPMZLF-MRXNPFEDSA-N 374.295 3.352 0 1 FGAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)Nc1ccccc1 253782396 NZYTYGFHNVTAIO-SFHVURJKSA-N 374.488 3.239 0 1 FGAF COC(=O)c1ccc(N2CCc3c(Br)cccc3C2=O)cc1 621476566 VUJHTKYWHSUCTQ-UHFFFAOYSA-N 360.207 3.439 0 1 FGAF O=C(c1cc(-c2cc3c4c(cccc4n2)CC3)c[nH]1)N1CCC[C@H](CO)C1 587211843 LRUAPDUSGGPYEJ-AWEZNQCLSA-N 361.445 3.173 0 1 FGAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587422984 WKMBOOFNAMEHPQ-BVRBVLIYSA-N 366.360 3.180 0 1 FGAF Cc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1F 587024418 ZIOUZVGCIPAMNL-UHFFFAOYSA-N 363.418 3.222 0 1 FGAF N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1ccc(Br)cc1 586996555 HKMJCAMNZGJXQK-GFCCVEGCSA-N 360.211 3.266 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(N3CCOCC3)c1)CC2=O 587473865 CIYPQOPTMZWMLS-LJQANCHMSA-N 368.433 3.283 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)N[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587427192 CJEOXBDUBXODGQ-SRMJIJMDSA-N 365.429 3.469 0 1 FGAF O=C(c1nc2c(O)nc(S)nc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132447 BGIANAGIFYKJBT-UHFFFAOYSA-N 359.169 3.024 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(N)=O)N1 587749642 PVEQUQXHNSBMAE-XXFAHNHDSA-N 363.230 3.311 0 1 FGAF COC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587092112 RVYRPZZCUDFUBO-UHFFFAOYSA-N 351.284 3.353 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1sc(N(C)C)nc1Cl)[C@@H](C2)C3=O 587452008 PWLSFUMMNVWABX-TVQRCGJNSA-N 350.827 3.360 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425646 GBGSYKRMYPJMRR-VBKZILBWSA-N 374.339 3.481 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3cncc(Br)c3[nH]2)n1 587119447 XUIOBBJKHMLEON-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF COC(=O)c1[nH]c([C@H]2c3cccc(Br)c3CCN2C)cc1C 963279894 KSDAUYGXEHSXHQ-MRXNPFEDSA-N 363.255 3.450 0 1 FGAF Cc1c(O)ccc2c1[C@@H](c1cc(Cl)c(F)cc1F)N[C@H](C(=O)O)C2 963521372 BOOGNJRMUGWLJM-XJKSGUPXSA-N 353.752 3.321 0 1 FGAF CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1 1772602211 OTWWQGNIWYUHKG-UHFFFAOYSA-N 357.454 3.201 0 1 FGAF N[C@@](CC1c2ccccc2Sc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777306 RCZCOJYFXWJEMJ-ZQGRQUNCSA-N 369.442 3.176 0 1 FGAF CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCOc2ccccc2)cc1 16928818 BKJUAAYZGRPPBE-UHFFFAOYSA-N 365.481 3.274 0 1 FGAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1OC(F)F 103539087 OZAWNLUIABWLHM-BSHRGCEOSA-N 350.325 3.381 0 1 FGAF Clc1ccccc1-c1nc(CN2CCN(c3ncccn3)CC2)co1 64399367 DJRYHAPGDKGRIN-UHFFFAOYSA-N 355.829 3.107 0 1 FGAF COC(=O)[C@@H]1CC2=C3C=C[C@H]4C(=O)N(C[C@@H]3CCC3=C2[C@@H]1CC3)C[C@@H]4C 2356559410 ASXMVBHXTSDEQQ-DEAOQEJTSA-N 353.462 3.257 0 1 FGAF COc1ccccc1CCC(=O)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1 29545493 BUHUZRUUVAJLBG-SFHVURJKSA-N 369.442 3.405 0 1 FGAF O=c1c2c(Nc3ccccc3)n[nH]c2ncn1-c1nc2ccccc2s1 64532159 UIGWMALNXYPKDV-UHFFFAOYSA-N 360.402 3.462 0 1 FGAF CN(C)c1ccc([C@@H]2CC(c3c(O)n(C)c4ccccc4c3=O)=NO2)cc1 3846603 ZWBCDRGXQKXKCC-SFHVURJKSA-N 363.417 3.176 0 1 FGAF biogenic C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)c1ccccc1 36388153 ZHSPLWWVRAZRSC-HNNXBMFYSA-N 374.444 3.099 0 3 FGAF O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1 34788262 MLTBZEPGVPQYGS-LBPRGKRZSA-N 370.359 3.430 0 1 FGAF COc1c2cc(c(O)c1OC)CCCC[C@H](O)CC(=O)c1ccc(O)c-2c1 14611804 FNSIEKLXCBZZLB-AWEZNQCLSA-N 372.417 3.442 0 1 FGAF biogenic CCOc1c(N2CC[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 40466111 ODBJCGLYBOPJQL-NSHDSACASA-N 374.412 3.419 0 1 FGAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cn(C)cn3)cc1N2 87612884 BMOGZYSRUCTZSE-UHFFFAOYSA-N 362.389 3.112 0 1 FGAF CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)N(C)c1ccccc14)[C@H]32 238769880 ZGZYTLPCBNDYNE-YPAWHYETSA-N 352.478 3.470 0 1 FGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCc1cccs1 25427573 ISRPQQCQSDUNKU-HZPDHXFCSA-N 371.506 3.338 0 1 FGAF biogenic C[C@@H](O)CCSc1nnc(COCc2ccccc2)n1-c1cccnc1 618017765 ZEGRNFXJHJWPQW-OAHLLOKOSA-N 370.478 3.242 0 1 FGAF CN(C)c1ccc(-c2cnc3cnc(-c4cccc(C(N)=O)c4)cn23)cc1 653664703 BVYFHGLFLRAKLS-UHFFFAOYSA-N 357.417 3.228 0 1 FGAF CC(=O)N(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O 586988947 TYLMJBPGGVGXLL-UHFFFAOYSA-N 360.369 3.047 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1cccnc1)[C@@H](C2)C3=O 587437249 YSKCXHJMBUWKNP-PGRDOPGGSA-N 358.397 3.371 0 1 FGAF COc1ccccc1-c1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O 587946243 SRKKRRXJHRURJZ-UHFFFAOYSA-N 366.352 3.488 0 1 FGAF Oc1nccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999213 VYUHYRBWIYMJLI-UPHRSURJSA-N 360.167 3.325 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586119 HJHDLBALGQICAX-WRNTYONKSA-N 351.402 3.349 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)O2 587397379 AJOVGWAKZCFKTA-SIFORAMQSA-N 358.438 3.168 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(CO)cc2[nH]1 587042073 HKOSTSCWGQIJJP-HNNXBMFYSA-N 359.838 3.364 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027994 LCYCTJMUELYFOH-UHFFFAOYSA-N 356.432 3.001 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587784240 GJRWMWOHRQHWMV-NWDGAFQWSA-N 354.337 3.344 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586945072 VAYPOWGLZIPXRS-UHFFFAOYSA-N 373.356 3.199 0 1 FGAF O=C(CNC(=O)c1cnc2ccccc2c1)Nc1cccc2c1CCCC2 149152094 AJNCYJKOMVKUER-UHFFFAOYSA-N 359.429 3.482 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CSC1=NNC2=NCCCN21 963237715 ZCOMFPGIRKEVPG-FOIQADDNSA-N 371.554 3.228 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C(F)F)[C@@H]1CCCCC1=O 963630128 BRZIPWLGOVETSE-XAEJFWIOSA-N 353.409 3.458 0 1 FGAF COCCOc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C 1772581765 MSENZMOJTGKXAU-UHFFFAOYSA-N 372.465 3.144 0 1 FGAF COc1ccc(F)c(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)c1 11948891 YMFNZKFVQIDAFQ-OAQYLSRUSA-N 362.489 3.301 0 1 FGAF CN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O 13738803 XHHPVFGTQYUZHG-FQEVSTJZSA-N 368.521 3.471 0 1 FGAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N1CCCC1 13747377 PZBSFNRZWGDEDY-UHFFFAOYSA-N 353.488 3.396 0 1 FGAF O=C(c1cccc(F)c1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076485 KMPVTXHKEOOLDE-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF CC(C)(C)C(=O)NCc1ccc(C(F)(F)F)c(C(=O)Nc2ncc[nH]2)c1 168767595 IXTOIVYPNATGCN-UHFFFAOYSA-N 368.359 3.343 0 1 FGAF CCC(CC)Cc1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1cccc(Cl)c1 1857565522 YFXJTWALCVLVJE-UHFFFAOYSA-N 359.861 3.053 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3ncccn3)CC2)CC1 1857584267 BTUFHELPICUXQZ-GOSISDBHSA-N 367.497 3.119 0 1 FGAF COc1cc2c(cc1OC)C1=C(c3ccc4c(c3C1)OCO4)N(C)CC2 4173595 OLKUXVKRZQOUTH-UHFFFAOYSA-N 351.402 3.345 0 1 FGAF O=c1nc(CSc2nc3ccccc3[nH]2)nc2n(-c3ccccc3)[nH]cc1-2 103854840 QJUOJPRDKISKSH-UHFFFAOYSA-N 374.429 3.229 0 3 FGAF COc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1 26165944 MNVXJRRRFDLIDB-UHFFFAOYSA-N 360.461 3.474 0 1 FGAF Cc1noc2c1C(=O)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 28948419 NRQAJDJJLLMSNA-AWEZNQCLSA-N 370.424 3.462 0 1 FGAF C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004897 GCOQFQIJJUXURI-RTBURBONSA-N 360.816 3.471 0 1 FGAF O=C(O)c1cc(CN2CCC(c3ccccc3)CC2)c2ccccn2c1=O 66097674 LBBKUZMYCIQSRM-UHFFFAOYSA-N 362.429 3.377 0 1 FGAF N[C@H](c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)C1CCCCC1 61898411 MIDSRNJTDWGLOM-KRWDZBQOSA-N 374.510 3.189 0 3 FGAF Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)o2)nn1-c1ccccc1 38280201 STTLMVGBIBSVIM-UHFFFAOYSA-N 363.352 3.474 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(/C=C/Br)c1)N2 36093266 HRJQWACHSNEZEE-BEYGDISASA-N 350.256 3.449 0 1 FGAF COc1cc(NC[C@@H](CN)Cc2ccc3c(c2)OCO3)nc2ccccc12 45321829 UKICNZMIGIMRIU-OAHLLOKOSA-N 365.433 3.202 0 1 FGAF CC(C)N(CC[C@@](CCCN(C)C)(C(N)=O)c1ccccc1F)C(C)C 40632284 LNFBPEXSWJEXTN-OAQYLSRUSA-N 365.537 3.400 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H](C)N2CCCC[C@@H]2C1 40631413 GOIFKVIKBPQYGJ-JHJVBQTASA-N 351.878 3.066 0 1 FGAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2Cl)s1)C(=O)O 145969364 LRYCCXCWOKPCPE-MRVPVSSYSA-N 366.826 3.168 0 1 FGAF CCCNC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCOC2 261126917 KJXQJKGIDTXDBB-SGMGOOAPSA-N 362.495 3.335 0 1 FGAF CCS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411069 XNXAQDCQXIQBFU-IBGZPJMESA-N 359.447 3.251 0 1 FGAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(C(=O)OC)ccnc2[nH]1 587926011 FVZQNKUEDSGOSC-GFCCVEGCSA-N 355.394 3.304 0 1 FGAF COC(=O)c1cc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2cn1 587097657 MLYNWZQNHGIGON-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF Cc1ccnn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661439 OHFREYRXYPCTLD-UHFFFAOYSA-N 362.364 3.048 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587043795 NAINSWLVLOVHKD-UHFFFAOYSA-N 373.459 3.068 0 1 FGAF COc1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586923028 WHGWVGWPLCYRRL-UHFFFAOYSA-N 356.447 3.077 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCC(=O)Nc4ccc(F)cc41)[C@@H](C2)C3=O 587430151 YUWBOKTVJAVPSJ-VBKZILBWSA-N 353.349 3.210 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2CCF)N1 587716140 IPECBALGSMGZGO-BJOHPYRUSA-N 356.214 3.378 0 1 FGAF CC(C)(C)C(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957731 CMOPOQUVHRRJTQ-DIFFPNOSSA-N 359.800 3.438 0 1 FGAF C[C@@H](Cc1ccsc1)NC(=O)CCc1nnc(COc2ccccc2)o1 13636876 KFOYNBRWRXPGQU-AWEZNQCLSA-N 371.462 3.390 0 3 FGAF c1ccc(-c2nc3c(c(N4CCN(Cc5cccnc5)CC4)n2)CCC3)cc1 15062486 YZEBLBZIULQMOV-UHFFFAOYSA-N 371.488 3.350 0 1 FGAF O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1ccc(Cl)cc1 15937151 FDDIRNNWZMHMJJ-ZWKOTPCHSA-N 363.866 3.168 0 3 FGAF CCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(Cl)c1 169317340 SXAIJJBSKJPKHL-AWEZNQCLSA-N 371.909 3.389 0 1 FGAF CN1CC[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)c3ccccc3)C[C@H]1C2 169359419 WDPFEPSDGHQGPI-XQBPLPMBSA-N 350.462 3.317 0 1 FGAF CC(C)(O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207733214 ITZSSVBCGHINKH-SFHVURJKSA-N 358.482 3.417 0 1 FGAF NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1857541391 QMMLKYIEFBOHLT-UHFFFAOYSA-N 370.217 3.358 0 1 FGAF O=C([C@@H]1C[C@@H](NCc2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1 1857629334 IGBOMRFQBQSZPX-PKTZIBPZSA-N 371.484 3.202 0 1 FGAF COc1ccc(Cl)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857745727 ALFZJJYSHPGCRJ-NSHDSACASA-N 368.842 3.098 0 1 FGAF Cc1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c(Cl)c1 3660512 QDZGMCUECJVTEB-UHFFFAOYSA-N 357.797 3.058 0 1 FGAF Cc1nc2sc([C@H](c3ccccc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 104199533 GOAMXJOTLKPXBX-HUBLWGQQSA-N 358.467 3.003 0 3 FGAF O=C(OCCF)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2 28455778 VLIANQRCIMWNHF-YJNKXOJESA-N 356.235 3.186 0 1 FGAF CC[C@@]12C=C(C(=O)OCCO)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 28965275 WBEVCQPAHIHTRP-IRLDBZIGSA-N 366.461 3.121 0 1 FGAF CN[C@H]1CCc2cc(O)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 27638208 FSGYHFBUGSRVTA-AWEZNQCLSA-N 373.474 3.365 0 1 FGAF COc1cccc(CN(C)CCCn2cnc3c(SC)ncnc32)c1 61922476 UXWSPDHHFUGNIP-UHFFFAOYSA-N 357.483 3.079 0 3 FGAF Cc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)cc2c1 114603983 JZRLNPGMMUVFAO-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF Cc1nc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(Cl)cc2)n1 27655489 TZJHSQWXRDXDCN-KJMJWJSPSA-N 358.825 3.494 0 1 FGAF O=C(O)C[C@@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccccn1 28339825 OEAURMKUNHWMBK-KRWDZBQOSA-N 356.451 3.127 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@H](C2)N1 73199705 LKNYHWXHAONTOU-DYVFJYSZSA-N 352.459 3.360 0 1 FGAF CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 34282056 HEPQZLAAWOEYMZ-UHFFFAOYSA-N 362.412 3.241 0 1 FGAF in-vitro COc1cc([C@@H]2Oc3cc(C=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC 15211464 QXUIUNFQZDLKHB-BBATYDOGSA-N 374.389 3.435 0 1 FGAF biogenic CCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cs1 82069133 MEKILLTVQLOJNQ-MRXNPFEDSA-N 371.506 3.059 0 1 FGAF COc1cc(OC)cc(-c2nc(C(=O)OCC(C)(C)N(C)C)cs2)c1 82086400 KQZGXPRKIJBPIG-UHFFFAOYSA-N 364.467 3.324 0 1 FGAF COc1ccccc1N1CCN(CC[C@H](OC(N)=O)c2ccccc2)CC1 95573118 UIBMFGZVKSYOGS-IBGZPJMESA-N 369.465 3.044 0 1 FGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95877325 UOXJBICYQMZMNX-DNVJHFABSA-N 364.489 3.125 0 1 FGAF NCCNc1ccn2ncc(-c3cccc(OCc4ccccc4)c3)c2n1 96286354 IBESYJMYJHCZDM-UHFFFAOYSA-N 359.433 3.346 0 1 FGAF CC[C@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 95600301 VBFXWALAASQWAI-VSRDTVRMSA-N 368.529 3.210 0 3 FGAF CNC(=O)c1[nH]nc2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 299810451 XYYQUSQQASXEKW-QJLMEOIESA-N 351.450 3.045 0 1 FGAF CN1C=CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587338927 OZGMKYLUJRIKGS-FXAWDEMLSA-N 353.349 3.005 0 1 FGAF Nc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1N 587029351 MTRGDYBATZXKQZ-UHFFFAOYSA-N 361.434 3.249 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755113 MDYVGUKDDCNFRC-DIFFPNOSSA-N 371.294 3.498 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 587117071 GCCFAQWMAXVOHG-UHFFFAOYSA-N 358.707 3.422 0 1 FGAF CC(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587560111 BDJLJPSKHQUGRB-UHFFFAOYSA-N 367.405 3.418 0 1 FGAF O=C(O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085239 PKDHPTRQFWWNKG-UHFFFAOYSA-N 357.801 3.089 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c2c1 587649394 IKCMFUMSWBZFJM-UHFFFAOYSA-N 374.372 3.097 0 1 FGAF CN1CCN(c2ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)CC1 587162933 HLZXZUJCCMZZHT-FQEVSTJZSA-N 367.472 3.105 0 1 FGAF COc1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(OC)c(OC)n1 963108237 OKWHCHMWJORBLN-SCLBCKFNSA-N 358.413 3.356 0 1 FGAF C[Si](C)(C)c1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 195976120 AZBVBXATZZJLBI-UHFFFAOYSA-N 372.522 3.201 0 1 FGAF CCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C 203539787 RMCUEMSKMGVKOG-UHFFFAOYSA-N 355.829 3.432 0 1 FGAF O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccccc1 5589753 WCCYXDUOPHUMIJ-UHFFFAOYSA-N 365.418 3.198 0 1 FGAF c1ccc([C@H]2CCCN2c2nc3nonc3nc2NC2CCCC2)nc1 12304628 QYOLUHBNTIQWHE-CQSZACIVSA-N 351.414 3.104 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Nc1ccc(F)cc1F)C(=O)CC2 13744788 NYDRPXZHCPHNMB-UHFFFAOYSA-N 352.362 3.209 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@H]21 169692171 KAQKFAOMNZTLHT-HXBAVYQMSA-N 352.471 3.409 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2ccc3ccccc3n2)CC1 6385415 QIYDBSWZGAKGOD-UHFFFAOYSA-N 361.449 3.024 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4Cl)C[C@@H]3C2)n1 116821883 FOETXTIGELKUMZ-HZPDHXFCSA-N 370.884 3.264 0 1 FGAF COc1cc2nc(N3CCN(c4ccccc4)CC3)cc(N)c2cc1OC 25981491 NBNFVSMBGKPYLK-UHFFFAOYSA-N 364.449 3.161 0 1 FGAF CC[C@H](C)C=CC=CC=C(C)[C@@H]1Oc2ccn(OC)c(=O)c2[C@@H](O)[C@@H]1C 2356717534 ASUFHYQPEHRMRK-QHERXFFYSA-N 359.466 3.442 0 1 FGAF Cc1c(Cl)c(O)c2c(c1Cl)O[C@@H]1C=C(O)C=C(C(=O)O)[C@@H]1C2=O 2356789892 DVRLCCLBMCXAFM-SFYZADRCSA-N 357.145 3.034 0 1 FGAF NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccncc2Cl)c1 73165889 SBAIWDBWKQXXIP-LBPRGKRZSA-N 355.221 3.484 0 1 FGAF COc1cc(C[C@H]2C(=O)OC[C@]2(C)Cc2ccc(O)c(OC)c2)ccc1O 70454311 ZAMXGUXQNPYBCF-BTYIYWSLSA-N 372.417 3.080 0 1 FGAF biogenic,in-vitro O=C(NCc1cccc(O)c1)c1ccc(O)c2[nH]c(Cc3ccccc3)nc12 73314341 HYIJJUJQTQEHBF-UHFFFAOYSA-N 373.412 3.495 0 1 FGAF Cc1nc(-c2nc3c(s2)CN(C(=O)CCc2cccnc2)CC3)cs1 45302237 DYWCKXCJXXKSGN-UHFFFAOYSA-N 370.503 3.488 0 1 FGAF COc1cc(NCc2ccncc2)c(C(=O)Nc2ccccn2)cc1OC 40568064 QNNZLWTZVPWYQR-UHFFFAOYSA-N 364.405 3.358 0 1 FGAF CN(C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2F)C1 95557441 HNOJMKKDNZJMSI-AWEZNQCLSA-N 372.465 3.436 0 1 FGAF N=C1Sc2cc(Br)ccc2C2=NCC3(CCOCC3)CN12 95577300 ICEXOOVODOWDQS-UHFFFAOYSA-N 366.284 3.349 0 1 FGAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C)c(C)n2)n1 143096092 AGISGMLDAXPKQB-UHFFFAOYSA-N 373.464 3.078 0 1 FGAF COCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2 96929212 PIIJIDXGYZBGMW-UHFFFAOYSA-N 368.477 3.084 0 1 FGAF O=Cc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169009 BOTITNRBIAHQIT-UHFFFAOYSA-N 367.449 3.231 0 1 FGAF CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1C 34055612 QIWQQMZFTOCFGF-UHFFFAOYSA-N 366.508 3.218 0 1 FGAF biogenic O=C(NCCc1c[nH]c2ccccc12)c1ccc[n+](Cc2ccccc2)c1 473159844 XTCDWNYHQKTJNJ-UHFFFAOYSA-O 356.449 3.476 0 1 FGAF Cc1cccnc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C 653837906 MBZIXSMXLBIQDC-UHFFFAOYSA-N 367.434 3.082 0 1 FGAF CC(=O)Nc1ccc(O)c(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 587213105 OFOXIJOXYCBZFG-UHFFFAOYSA-N 362.385 3.292 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc(F)cc(Br)c3)nc12 587161037 KSAFLEAPMRSKMM-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cn1 587124654 NTSQKXJIFKZQEW-CPCISQLKSA-N 352.320 3.138 0 1 FGAF FC(F)(F)c1nn(CCc2nc3cnccc3[nH]2)cc1Br 587118618 QDCBGBMXGCSERS-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF C[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175325 YDIJVGNGFUUBER-GOSISDBHSA-N 358.300 3.168 0 1 FGAF Cc1nn(C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583179 ULBPZQUZELKCPD-YLJYHZDGSA-N 350.374 3.445 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O 587452436 USDSDLDBZHXZSO-HTZUNMPGSA-N 350.370 3.300 0 1 FGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ncc[nH]c-4n3)c2C1 587033918 KLEIZZFHNXRPKA-UHFFFAOYSA-N 357.439 3.326 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587059285 NPAQIEHTEGOYCS-OAHLLOKOSA-N 350.827 3.092 0 1 FGAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(CCO)cc2[nH]1 587109967 YJIWXFSKBUQAMT-UHFFFAOYSA-N 350.296 3.482 0 1 FGAF C[C@@H]1C[C@]2(CCO1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963184601 PNUMQRZUMPJXFM-YVILZHTOSA-N 363.763 3.352 0 1 FGAF CC(C)C(=O)CC[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962645166 VCZQWLCZAMAWAQ-YVEFUNNKSA-N 373.371 3.405 0 1 FGAF CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc(Br)cc1 13816980 ZJGHRUWMSNTWQO-QGZVFWFLSA-N 365.315 3.346 0 1 FGAF COC(=O)[C@]12C[C@H](C)[C@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 169352801 CTAGORHSTSPKPD-LQDFMPODSA-N 367.367 3.433 0 1 FGAF Cc1c(Cl)cnc(NC(=O)CSc2nnc3ccccn23)c1Cl 2644190 ZCPJIKYQYOIYDA-UHFFFAOYSA-N 368.249 3.470 0 3 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc([N+](=O)[O-])c1 117581909 AZUVPLLVJQIHFG-UHFFFAOYSA-N 370.409 3.106 0 1 FGAF CCOC(=O)c1ccoc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1 64693648 KVBQGPYRBKRLJK-UHFFFAOYSA-N 363.377 3.402 0 1 FGAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccs1 28572540 OGYWKBJFCNOLNS-GOSISDBHSA-N 361.426 3.294 0 1 FGAF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1 115603051 PAYUNELULSPXRL-AWEZNQCLSA-N 373.287 3.310 0 1 FGAF CCc1nc(N)nc(N)c1-c1ccc(N(CC)Cc2ccccc2)c(N)c1 26499384 ITZSAFGRQAPRFX-UHFFFAOYSA-N 362.481 3.479 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H](O)CC=C2C[C@@H](OC2=O)[C@H]1C(C)C 2356579839 FUUBZHATRHDAMW-MWTISTBLSA-N 350.455 3.169 0 1 FGAF COc1ccc([C@H]2C(=O)c3cccn3-c3ccccc3S2(=O)=O)cc1 29224022 UFLXEBOXSLVRFQ-IBGZPJMESA-N 353.399 3.197 0 1 FGAF CCC[C@@H]1CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@H](C)O5)N[C@@H](N2)N34)O1 2356843074 NBSWGTGLRFUXCQ-VQGLPFKNSA-N 363.546 3.440 0 1 FGAF N[C@@H]1c2ccccc2C2(CCN(c3cc(C(F)(F)F)ccn3)CC2)[C@H]1O 72148010 PVCQVRAVMJRMSR-SJORKVTESA-N 363.383 3.013 0 1 FGAF COCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 82142684 RBPAPRXXWOPTSV-UHFFFAOYSA-N 358.442 3.200 0 1 FGAF COc1ccc(-c2cnc3c(N4CCC(O)CC4)snc3c2)cc1OC 223088109 UFGTUILXKNLKIE-UHFFFAOYSA-N 371.462 3.337 0 1 FGAF C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 95573876 OWWOFJVMVLDYOC-GFCCVEGCSA-N 359.393 3.444 0 1 FGAF CC(C)C[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C[C@@H](C)N1 95583460 CZYUVYJLWVYZNM-KGLIPLIRSA-N 368.460 3.372 0 1 FGAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894478 CJVCYXYZWBPABX-IRFCIJBXSA-N 370.880 3.426 0 1 FGAF COc1cc(C(=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC 95584324 WYVGABPGBUPWKI-UHFFFAOYSA-N 353.374 3.248 0 1 FGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C(N)=O)CC[C@]12O 299847923 ZFPUPJZOCAMUGF-UPKOFFCASA-N 361.526 3.163 0 1 FGAF Cc1ccc2c(c1)[C@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473110349 VOEBIDQBMFLTAB-NRFANRHFSA-N 358.526 3.362 0 1 FGAF O=C(NCCNc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 653849884 JWLYNOKEWHOJTE-UHFFFAOYSA-N 357.417 3.467 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NC(C)(C)C2)N1 587794296 LVILTYWXYSLXNO-ABKXIKBNSA-N 355.251 3.006 0 1 FGAF COc1ccc([C@]2(CCN(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428844 LQEZOBGBTSVVHY-GCJKJVERSA-N 367.445 3.298 0 1 FGAF COCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587798345 UYTRMXWSBQRNEP-VXJOIVPMSA-N 355.207 3.346 0 1 FGAF Nc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660688 RFSHJBDSCIIYKH-UHFFFAOYSA-N 359.360 3.473 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCCC2)c1O 1772607953 UOKBIVKXDFIZPG-UHFFFAOYSA-N 360.863 3.292 0 1 FGAF COc1ccc(CCN2CCC[C@H](CN(C)Cc3[nH]cnc3C)C2)cc1 11819443 PBRIGMMCQVJJOD-LJQANCHMSA-N 356.514 3.113 0 1 FGAF CCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12 13553362 VSLGRSUBCKRTAC-UHFFFAOYSA-N 371.506 3.345 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O 13837076 IXCUJFRBJKGYEX-KIQRJQQFSA-N 372.527 3.038 0 1 FGAF O=C(COc1ccc(Cl)cc1)NCC(=O)N[C@H]1CCCc2ccccc21 200150520 SXQUJOOWPKBWTG-SFHVURJKSA-N 372.852 3.029 0 1 FGAF CCCCC[C@@H](O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O 34008813 AZJVIHQWXFKTDB-MRXNPFEDSA-N 365.536 3.005 0 1 FGAF Cn1c(=O)oc2cc(C(=O)CSC(=S)N3CCCCCC3)ccc21 1636558 YEXQQFPGCAQANB-UHFFFAOYSA-N 364.492 3.208 0 1 FGAF CO[C@@H]1CC(=O)c2c(cc(C)c3c2O[C@H](C)[C@]3(C)[C@@H](O)CC=C(C)C)[C@H]1O 2356326617 YTSDPGXQZGDXTJ-HMLMVRNSSA-N 374.477 3.386 0 1 FGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CCCCC2)cc1 3814693 KNNHMHHUEHQWNA-UHFFFAOYSA-N 371.384 3.496 0 1 FGAF Cc1nc2sc([C@H](c3cccs3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 4121060 UNVUVWBTODINCS-BREBYQMCSA-N 364.496 3.065 0 1 FGAF COc1ccc(C[C@@H]2C(=Cc3ccc4c(c3)OCO4)CO[C@H]2O)cc1OC 2356417358 YXNHNPCOSSOQPL-IIBYNOLFSA-N 370.401 3.023 0 1 FGAF CCCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215055 WQUALCCVUVMDML-DZGCQCFKSA-N 368.865 3.385 0 1 FGAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356300812 SNCOCXJKZADMMK-AYOQOUSVSA-N 358.507 3.239 0 1 FGAF O[C@@H](CCN1CCN(c2cccc(Cl)c2)CC1)COc1ccccc1 29486350 IJLQQXLPJCRIQU-IBGZPJMESA-N 360.885 3.292 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@@]342 2356657015 QWSTXDYLWYYYTH-DZFIUHNSSA-N 355.482 3.348 0 1 FGAF CCCCCNc1nc(Nc2ccccc2)c2ncn(CC(=O)O)c2n1 66100315 BRGWSTUMLRJXAJ-UHFFFAOYSA-N 354.414 3.257 0 1 FGAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2C 36271607 ORFLNTHIEFVEDL-MJUUVYJYSA-N 366.461 3.497 0 1 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3cccc(F)c3)c2)n1 89469296 ULAUGIGDAUJFKZ-UHFFFAOYSA-N 353.401 3.281 0 1 FGAF COc1ccc(-c2nc(S(C)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1 40505671 VIUWNARVSJPVFA-UHFFFAOYSA-N 358.419 3.164 0 1 FGAF CC(C)c1ccc(-n2nc(C(=O)NC3CC3)c3csc(N)c3c2=O)cc1 84690838 MUJBLKVKVLSJQD-UHFFFAOYSA-N 368.462 3.045 0 1 FGAF O=C(c1nc2cccc(F)c2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1 140130369 UKICQWVRXIZJEC-UHFFFAOYSA-N 373.391 3.399 0 1 FGAF CC[C@H]1CN2[C@H]3C[C@@H]1[C@@H](C(=O)OC)[C@@H]2Cc1c3n(C)c2cc(OC)ccc12 238732377 DXGHVLZILBNGCQ-PPWUQONPSA-N 368.477 3.304 0 1 FGAF Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)c2cccs2)cc1 95600250 PRPYIYFFUOXBSA-GUYCJALGSA-N 365.476 3.065 0 3 FGAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccncc3)ccc1O2 95576871 OLJFMUPYPYNPMT-NRFANRHFSA-N 359.385 3.451 0 1 FGAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H](O)[C@H]1N2C 253694920 WPSZKOIIDITBPV-KCGURWGYSA-N 358.265 3.094 0 1 FGAF COC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774547 WHWWECLETSTNCV-DIFFPNOSSA-N 365.246 3.407 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CO)n2)N1 587768955 FGRLGNUPHMSQJE-JDNHERCYSA-N 351.219 3.099 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(NC(C)=O)c1)[C@@H](C2)C3=O 587427600 DZVWQMWFQHQWRC-YCRPNKLZSA-N 367.401 3.325 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3ccc(Cl)nc3[nH]2)C(F)(F)F)n1 587094956 WYDJPGHKKHJHIM-LBPRGKRZSA-N 362.764 3.369 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(F)c2F 587473143 XNRLCEWMVMDQQL-IBGZPJMESA-N 359.328 3.436 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cccc(N)c1)[C@@H](C2)C3=O 587433765 WBHONHCFPHVJHV-AVRDEDQJSA-N 358.397 3.364 0 1 FGAF COC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587106193 GWOZFISKZNFJNH-JEOXALJRSA-N 371.392 3.464 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ncccc1C(=O)O)CC2=O 587485792 KMUHQKIASOIGAC-HXUWFJFHSA-N 355.390 3.405 0 1 FGAF CC(=O)Cc1[nH]c2cc(F)ccc2c1CN1C(=O)c2ccccc2C1=O 587636781 IKVYUZDZHMDQOW-UHFFFAOYSA-N 350.349 3.235 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(N)=O)cc2)N1 587750003 QYKQLPIGNNICDP-JDNHERCYSA-N 363.230 3.311 0 1 FGAF COC(=O)[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441432 SZNWYDMKSBDGLX-MCGXXNDWSA-N 368.385 3.124 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(C3)OCCO1 586992339 VKQDRNYPSWAHNF-UHFFFAOYSA-N 359.381 3.384 0 1 FGAF Cc1cccnc1NC(=O)CNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12523618 BGDKJFKOZGADCR-BAUKFBFWSA-N 361.873 3.023 0 1 FGAF COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC 13493264 DFCTUBFNWHKABO-UHFFFAOYSA-N 363.417 3.447 0 1 FGAF Cc1ccc(-c2nnc(CCC(=O)NC[C@H](C)Oc3cccnc3)o2)s1 13597008 BLOWEBNRYNTZBA-LBPRGKRZSA-N 372.450 3.018 0 3 FGAF Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)c(C)c1 169706121 FHAAUPKILZKGTC-UHFFFAOYSA-N 373.464 3.258 0 1 FGAF O=C(N[C@@H](Cc1ccccc1)[C@@H](O)c1nc2ccccc2[nH]1)c1ccccn1 206054524 GXWGCHGSSRBKIC-VQTJNVASSA-N 372.428 3.033 0 3 FGAF NCCCc1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 1857566196 MPJRDLNRQFRHJB-UHFFFAOYSA-N 359.477 3.484 0 1 FGAF CN1C(=O)[C@H]2CCCCN2C(=O)c2sc(Sc3ccccc3)nc21 1857601589 RNNUKAXQNGMZMG-GFCCVEGCSA-N 359.476 3.265 0 1 FGAF Nc1ccc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1 10343679 DGZYRDUXYPIKII-UHFFFAOYSA-N 357.416 3.197 0 1 FGAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207576 VSAJFQHZRSCLBV-NVXWUHKLSA-N 362.813 3.178 0 1 FGAF O=C(NC1CCNCC1)NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 1911583878 IWQPOVJUTVSYBA-RGMRCXJASA-N 353.510 3.328 0 1 FGAF CSc1ccc2c(c1)c(N)c(C(=O)N(C)c1ccccc1)c(=O)n2C 28004311 ZIEJNOKWVNVAEB-UHFFFAOYSA-N 353.447 3.119 0 1 FGAF CC(C)(Cc1ccccc1)NC[C@@H](O)c1ccc(O)c2nc(O)ccc12 29326585 ANLCROLHPITTQP-GOSISDBHSA-N 352.434 3.290 0 1 FGAF CN(C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1 60325489 OUNBLQAENNVCQS-HNNXBMFYSA-N 372.465 3.436 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O 26393951 KAQKFAOMNZTLHT-JNRHPOIWSA-N 352.471 3.409 0 1 FGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@](C)(O)[C@@H]12 118936953 OCPGSVYCKLXPSO-XSQGTXIESA-N 362.510 3.293 0 1 FGAF endogenous,in-man C[C@@]12CCC[C@@]3(C)CO[C@@](O)(C(=O)c4cc5c(O)ccc(O)c5cc41)[C@@H]23 2356627601 OBXVUUWPKYYYBL-MHTWAQMVSA-N 354.402 3.230 0 1 FGAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC1(n2cccc2)CCOCC1 2356654958 RAGTWZSJFJRYFW-PMACEKPBSA-N 373.541 3.107 0 1 FGAF COc1c2c(c(O)c3ncc(F)cc13)C(=O)N(Cc1ccc(F)cc1)C2 34849728 YSKCSWYRGDIMLM-UHFFFAOYSA-N 356.328 3.383 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 36177105 LBHLXRSCRQWUHK-GHDARCQNSA-N 366.461 3.332 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2 14620309 DMFHLLHXYQJPJS-OAHLLOKOSA-N 369.417 3.017 0 1 FGAF biogenic COc1cc2c[n+]3c(cc2c(OC)c1OC)-c1cc2c(cc1CC3)OCO2 40877839 QODCFUJBGVPWID-UHFFFAOYSA-N 366.393 3.105 0 1 FGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCCCCC1 138745453 UWMPGOAGBPHVMM-LTDCPUDJSA-N 364.445 3.014 0 1 FGAF COc1cc2c(cc1O)C(=O)[C@H]1c3cc(OC)c(OC)c(OC)c3CC[C@H]21 40862359 RATWHIYIFBMLOS-MLCYQJTMSA-N 370.401 3.437 0 1 FGAF CCCCCNc1ncnc2c1nc(CCC)n2CCCN1CCCC1=O 82186877 QUQCYVVUBSZAOF-UHFFFAOYSA-N 372.517 3.393 0 1 FGAF CC1=CC[C@]2(C)[C@@H]([C@@H](OC(=O)c3ccc(O)cc3)C1)[C@](O)(C(C)C)C[C@H]2O 238742162 QHFATPQTYSUZTN-DMPNSMEDSA-N 374.477 3.432 0 1 FGAF Cc1ccccc1-c1nnc2ccc(-c3cccc(C(=O)NCCO)c3)cn12 653663455 QEKNIFUMBCZBCA-UHFFFAOYSA-N 372.428 3.094 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCC2)N1 587755395 NZHBTINYWXFBON-TVQRCGJNSA-N 355.251 3.080 0 1 FGAF CCOC(=O)C[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449025 DAHPYOWMDICMNG-BFUOFWGJSA-N 358.415 3.353 0 1 FGAF COc1nccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168145 SXMMXQAHAZNCQP-AWEZNQCLSA-N 355.373 3.475 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C(O)O)CC2=O 587460043 FEZLEVSVDUFZIL-LJQANCHMSA-N 362.809 3.170 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(N)=O)cc2)N1 587749302 NLJICLAULQJXEM-JDNHERCYSA-N 363.230 3.311 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 587764162 OOUZXDDDPNWRGQ-JDNHERCYSA-N 352.251 3.428 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)ncc2[nH]1 587052878 QZTIJVRCFTYSJJ-SECBINFHSA-N 367.634 3.322 0 1 FGAF COc1cncc(N)c1-c1nc2ncc(Br)c(Cl)c2[nH]1 587252403 DJBFAPKZJKRDMF-UHFFFAOYSA-N 354.595 3.027 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 587566378 JUGPKYJLHICRQN-UHFFFAOYSA-N 358.781 3.437 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(F)(F)F)n(C)n1)[C@@H](C2)C3=O 587424441 YVCHBRBLGGCGMK-MGPLVRAMSA-N 352.312 3.110 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059021 LLKWTKZMLLQTLB-UHFFFAOYSA-N 363.870 3.252 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Cl)nc3[nH]2)CCC(=O)CC1 587234193 HTODWIYRYBRVMQ-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccn1 962646107 WLKYHEQFIFXRIJ-DOTOQJQBSA-N 366.339 3.151 0 1 FGAF CC(C)(CN1CCCC1)[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962765820 NOFQDCRPXSZQFC-HOTGVXAUSA-N 354.416 3.495 0 1 FGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C)n3)C2)cc1 1772574272 XQUZZXMRYXXGSM-VQIMIIECSA-N 353.466 3.287 0 1 FGAF O=C(/C=C/c1cccs1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 11789052 MHUYTGROKJDZBV-MVGZEHJDSA-N 363.442 3.338 0 1 FGAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@@H](c2cccs2)[C@H]1C(N)=O 169687838 KJOBGLWATYZABS-GJZGRUSLSA-N 351.435 3.112 0 1 FGAF Cn1nc(-c2ccccc2)cc1C(=O)NC(C)(C)c1ccc(C(=O)O)cc1 1857575333 LNNFZVSRSIQIPV-UHFFFAOYSA-N 363.417 3.450 0 1 FGAF O=C(NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccccc1 2356298993 PCVJLPSGULIXMA-QGZVFWFLSA-N 351.381 3.018 0 1 FGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049419 LGUXNDBLJVKJLI-HKUYNNGSSA-N 371.506 3.298 0 1 FGAF C[C@H]1CCC[C@@H](NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H]1C 6199854 JSQSSPDCCNZCIL-OPQQBVKSSA-N 364.795 3.461 0 1 FGAF CCCCNc1nc(N2CCCC[C@@H]2CCO)nc2c1ncn2C(C)C 26469959 NYQYYSIFCSDYGN-OAHLLOKOSA-N 360.506 3.361 0 1 FGAF Cn1cc(-c2cnn3c(Nc4ccccc4)cc([C@@H]4CCCNC4)nc23)cn1 66104488 IMPQUAJLAYEKCN-OAHLLOKOSA-N 373.464 3.340 0 1 FGAF C[C@@H]1NC(=S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1 29328439 CLTOUVBTMGFGES-ZUZCIYMTSA-N 360.870 3.086 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@]32C 2356594221 MSKATEQDOFAFJJ-FKBYEOEOSA-N 368.477 3.127 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@]1(C)C(=O)C[C@@H](C)[C@@]2(C)CCC1=CC(=O)OC1 2356610426 JIQFBMQXZGTZHF-JKDHXBHNSA-N 360.450 3.381 0 1 FGAF CCCCCC(=O)CC[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 33955939 APHSFGGFXCDPTM-DOIXPHKBSA-N 370.486 3.202 0 1 FGAF Cc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc2o1 223368426 ZWYDVEGLPZWOPF-UHFFFAOYSA-N 372.375 3.076 0 1 FGAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCSCC3)ncc2C)C1 82202608 OTTQCFJXSPWILW-JYJNAYRXSA-N 350.532 3.344 0 1 FGAF COCCn1c(CCc2ccccc2)nc2c(NCC(C)C)ncnc21 82221618 IALSVPUCGZRZQB-UHFFFAOYSA-N 353.470 3.326 0 1 FGAF c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5cccnc5)C[C@@H]4C3)nn2)cc1 45391636 KWISDALZLQQZFR-BGYRXZFFSA-N 357.461 3.107 0 1 FGAF O=C(CNc1nc(-c2cc3ccccc3o2)cs1)NC[C@@H]1CCCO1 82193711 YOWDDZYZOXLYMH-ZDUSSCGKSA-N 357.435 3.263 0 1 FGAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(OC(F)F)c3)ccc1OCC21CC1 149003236 UNYXJDJEOAZPJZ-IBGZPJMESA-N 373.359 3.063 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]2C1 253634563 DZQHCYXCIBSBAB-OLZOCXBDSA-N 351.878 3.068 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N)=COc2cc(OC)ccc21 587473218 RGTFONPIBTXQLU-NRFANRHFSA-N 367.401 3.407 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587445494 ZMKNAPBKZGMPJV-LBUQITIBSA-N 364.397 3.389 0 1 FGAF O=C(O)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604270 RVJBUWPXIJGNPT-CYFODOTGSA-N 354.358 3.367 0 1 FGAF COCCC[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597600 QYYHDULTVRDTRB-PXNSSMCTSA-N 358.390 3.166 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCC1OCCO1 587617060 OOLAMODTZCZNOP-YJBOKZPZSA-N 356.374 3.266 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCC(=O)O)O2 587378397 OEQJVRDDFVBSJW-MRXNPFEDSA-N 361.781 3.401 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCc4c(OC)ccc(OC)c41)[C@@H](C2)C3=O 587442699 NFIQBQUCCRWBLB-LHSJRXKWSA-N 352.386 3.302 0 1 FGAF O=C1CC[C@@H](CN2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 13449267 JOEMGACWLKVQLY-AWEZNQCLSA-N 369.292 3.192 0 1 FGAF Cn1cc(C2=C(c3c[nH]c4cc(F)ccc34)C(=O)NC2=O)c2ccccc21 13554112 XGGWHSPLTSVHGO-UHFFFAOYSA-N 359.360 3.366 0 1 FGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccnc2)o1 169686034 YRDUOKJCWFOFMN-RBUKOAKNSA-N 374.396 3.135 0 1 FGAF CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050242 VVZRHKJTXZLNKW-MRXNPFEDSA-N 356.466 3.326 0 3 FGAF Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863305 FFJUDQDGCKOKOG-IFXJQAMLSA-N 356.447 3.068 0 1 FGAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@@H]3CNCC(F)(F)C3)nc12 1911572101 LXEJRJAGCWCVIJ-INIZCTEOSA-N 372.419 3.189 0 1 FGAF CC(=N)[C@@H](C#N)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 4005143 RRPKWECAZJVQRV-QGZVFWFLSA-N 355.369 3.139 0 1 FGAF COc1ccccc1/C=C/C(=O)N[C@@H](C)c1cccc(N2CCOCC2)c1 26734911 DZBBKGTVQRALCG-DVQDXYAYSA-N 366.461 3.422 0 1 FGAF CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 112974027 JTPWZQWWFGXHHO-UHFFFAOYSA-N 374.872 3.231 0 1 FGAF Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CCN(CCO)CC1 28254321 WMCUNZCYNOEMSE-LJQANCHMSA-N 359.539 3.274 0 1 FGAF COc1cccc(/C=C/C(=O)N[C@@H](C)c2cccc(N3CCOCC3)c2)c1 26732265 LPCFDKXQXZZAEL-FVNWOWOISA-N 366.461 3.422 0 1 FGAF CCC1=CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@@H]24 2356528974 OJPKTXCBMCNJHG-HLNIAZEUSA-N 374.440 3.093 0 1 FGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40380086 AMMIKVRYXNRYLI-VQANOXKBSA-N 370.804 3.130 0 1 FGAF COC(=O)c1[nH]c2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 45256030 HXVMVAUGMOCEED-UHFFFAOYSA-N 369.373 3.211 0 1 FGAF Cc1ccnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)cc2)c1Cl 220976163 FQLCXVGWMXWHKT-UHFFFAOYSA-N 357.797 3.198 0 1 FGAF C[C@@H]1Cc2c(Cl)cc(CN[C@@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 238743705 VYLQGYLYRQKMFU-XIKOKIGWSA-N 373.836 3.227 0 1 FGAF Cc1cc(F)ccc1O[C@@H]1C=C[C@@H](c2ccc3c(c2)OCO3)O[C@H]1CO 253977241 CBOKKADTZKMXAM-HQRMLTQVSA-N 358.365 3.299 0 1 FGAF CCC1=CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 299827350 GGALVOGHWJOTBS-LJHODMEESA-N 352.434 3.310 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)O2 587395674 FEAWVUCGHYAASN-QGZVFWFLSA-N 363.373 3.403 0 1 FGAF CCOc1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651984 IRIPQQPWQWQHBT-UHFFFAOYSA-N 358.781 3.168 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1F)O2 587387424 RFQPEWVFYDLYKY-HNAYVOBHSA-N 364.417 3.260 0 1 FGAF N=c1nc(O)c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2[nH]1 587094990 LOQQJOJUDQVOFY-UHFFFAOYSA-N 363.221 3.176 0 1 FGAF COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398239 DHAQBYMMPIFGJC-ZSEKCTLFSA-N 369.417 3.256 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cc(Cl)cnc3[nH]2)C(F)(F)F)n1 587094892 VRAXGGVPHRFAMT-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF Cc1c(Br)cnc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc12 587093525 FVZXILRWFIKDER-ZCFIWIBFSA-N 365.153 3.158 0 1 FGAF Cc1c(F)ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587164633 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1 FGAF CC1=CC[C@H](O)C(C)(C)[C@@H]1CC=C(CC(=O)c1cc(O)ccc1O)C(=O)O 2356841702 MGRJEAWMLFNPRE-APWZRJJASA-N 374.433 3.425 0 1 FGAF O=C(N[C@H](c1nccs1)C1CCNCC1)c1ccc2cnccc2c1 72177697 IVYGVYJVPJSBIE-KRWDZBQOSA-N 352.463 3.162 0 1 FGAF NC(=O)c1csc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)n1 49525571 FOCNQDSZOCWDPV-UHFFFAOYSA-N 371.384 3.309 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1 221182426 UPFJYINMUCLZAF-ZDUSSCGKSA-N 353.426 3.032 0 1 FGAF CC(C)(C)CCN1CCC(CNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1 40833780 IHKCRLRMFOLNLH-UHFFFAOYSA-N 360.424 3.307 0 1 FGAF CCC[C@@H]1C[C@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914930 GDFIDTXMRHKUHA-HIFRSBDPSA-N 366.849 3.091 0 1 FGAF CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2cccc(C)c2)n1 82145471 SIADSQIKSYXCCD-HNNXBMFYSA-N 354.454 3.135 0 1 FGAF N[C@H]1Cn2c(nc3c(F)cc(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 43061040 BOVFEZOASZPQGA-OTYXRUKQSA-N 353.294 3.399 0 1 FGAF FCCOc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 95593293 OFQFONYTNJTAFZ-UHFFFAOYSA-N 372.440 3.081 0 1 FGAF COc1cc(Cn2cnc3nc(N)nc(Cl)c32)c(C(C)C)cc1OC 96924158 GBRGVCXEFRHPIV-UHFFFAOYSA-N 361.833 3.251 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(O)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 96175134 DSRXSTGJFQEAOY-PXAZEXFGSA-N 368.458 3.066 0 1 FGAF COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@H]32)cc1 98085188 JMVCLSNEUUCWCL-UXHICEINSA-N 357.417 3.456 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)nc2[nH]1 587042087 IGHUEBJETFGLKV-SECBINFHSA-N 369.288 3.341 0 1 FGAF CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)CC4 587213345 QNXTWHQPXVWGDH-OAQYLSRUSA-N 368.433 3.170 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587244785 UMGJUWJJHCNLHL-UHFFFAOYSA-N 361.449 3.106 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@@H](C)C(N)=O)c1)CC2=O 587469648 JIPNEPQVJMSZLC-HXPMCKFVSA-N 369.417 3.304 0 1 FGAF CCn1nccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862738 GQOBGMOBQKONGD-UHFFFAOYSA-N 364.327 3.482 0 1 FGAF N=c1[nH]cc2nc(CSCc3cccc(OC(F)(F)F)c3)nc-2[nH]1 587124334 VWPWZBBUNIWEPY-UHFFFAOYSA-N 355.345 3.049 0 1 FGAF CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433601 ZLCBECHFFHODID-SZNDQCEHSA-N 352.434 3.453 0 1 FGAF CN(C)/C=C\[C@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587516749 VXHQYDPJEKVOMC-JNSUZQQQSA-N 351.450 3.235 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@@H]2CCCC[C@@H]21 587025999 JTSKYQVZRVABOU-JQFCIGGWSA-N 367.478 3.489 0 1 FGAF CCCc1nc(-c2nc3cnc(OC)cc3[nH]2)nn1-c1ccccc1F 587156600 XEBVYANEWKIPLH-UHFFFAOYSA-N 352.373 3.306 0 1 FGAF COc1ccc([C@H]2NCCc3nc4ccccn4c32)cc1Br 962983584 LMFKCOWOHPCCCD-MRXNPFEDSA-N 358.239 3.341 0 1 FGAF O[C@@H]1c2cc(F)ccc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1 13471796 HNIFACCWWKONLS-TZIWHRDSSA-N 369.436 3.435 0 1 FGAF COc1ccccc1[C@@H]1CS(=O)(=O)Oc2c1c(C)nn2-c1ccccc1 1857545834 ZJTHNQHICHCZMK-INIZCTEOSA-N 370.430 3.043 0 1 FGAF COc1ccc([C@@H]2c3c(N)nc(SC)nc3N=C3CCCC(=O)[C@@H]32)cc1 1857588836 SBBOKOHPPVAFQV-LSDHHAIUSA-N 368.462 3.377 0 1 FGAF Cc1cc(-c2ccc(NC(=O)N3CC[C@@H]4CN(C#N)C[C@@H]43)c(F)c2)ccn1 1857597197 ORRROJOQVQBSPY-APWZRJJASA-N 365.412 3.215 0 1 FGAF O[C@@](CNC1CCCCCCC1)(Cn1cncn1)c1ccc(F)cc1F 1857750704 IXEGJLQIASXJMI-IBGZPJMESA-N 364.440 3.147 0 1 FGAF C[C@H]1C=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccco3)C(=O)[C@H]12 4475844 ZRHJLBYNKUTUBP-OGHNNQOOSA-N 351.358 3.200 0 1 FGAF COC1=C(CC=C(C)C)[C@@H]2O[C@@H]3c4ccc(O)cc4OC[C@]3(O)[C@H]2C=C1 2356386404 HUQUUOIUJGCTAS-DVWBAYGPSA-N 356.418 3.398 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1cccc(CN3CCCC3)c1)O2 101177599 JQQLVJYCQBTIHJ-NRFANRHFSA-N 367.445 3.486 0 1 FGAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(N)c(OC)c1 26491602 DIHNXFIIQRUAIA-LJQANCHMSA-N 351.406 3.473 0 1 FGAF CCOC(=O)[C@H]1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 61902215 ZASJTLKVUFDOOU-INIZCTEOSA-N 356.422 3.455 0 3 FGAF COC(=O)[C@@]12CCC[C@@]3([C@H](O)OC1)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356566351 FBOCRPKLWNKMFW-GJUYAKCMSA-N 360.450 3.260 0 1 FGAF COc1cc(OC)cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)c1 2356690091 MGDNKOAMJCAUJL-JWWGGVBKSA-N 372.417 3.493 0 1 FGAF C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCC3)cc1 72127515 CWDYYODRDVPEOW-MRXNPFEDSA-N 367.493 3.189 0 1 FGAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 82212276 OJHFLAPDNQJXFQ-CYBMUJFWSA-N 374.460 3.032 0 1 FGAF Oc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1Cl 95554605 WJLLMZPAVIWDNV-UHFFFAOYSA-N 355.760 3.275 0 1 FGAF COC[C@@H]1CN(c2noc3cc(OCCCCCF)ccc23)C(=O)O1 299822506 OEXQNJCNFYIUPA-ZDUSSCGKSA-N 352.362 3.318 0 1 FGAF FC(F)(F)c1ncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 587040363 HJSHGQCUFNOAGC-NWDGAFQWSA-N 365.384 3.270 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 586972184 DKQZSYODNGKKIT-CYBMUJFWSA-N 361.858 3.069 0 1 FGAF COC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039716 DURDWBFVUSSVBS-IRXDYDNUSA-N 353.447 3.296 0 1 FGAF NC(=O)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900409 JLGAWCJOVDMHII-UHFFFAOYSA-N 361.357 3.313 0 1 FGAF CC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COCOC1 587607567 HZXHGRDPTHBRFD-OXJNMPFZSA-N 356.374 3.123 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O 587452437 USDSDLDBZHXZSO-IVZHQMGZSA-N 350.370 3.300 0 1 FGAF CC(=O)c1ccc(-c2cc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)ccc2F)cc1 587139766 VNZKMBZIRZFEDB-UHFFFAOYSA-N 363.352 3.147 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587423156 SWBKDJZIZVUUIL-BUXKBTBVSA-N 374.776 3.085 0 1 FGAF COC(=O)[C@H](C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597364 YVQUMPLXAGFVIN-RRBXVBTKSA-N 356.374 3.312 0 1 FGAF Nc1nc(Cl)c([C@@H]2NCCc3c(C(=O)O)cccc32)n1-c1ccccc1 963130192 IPVAYLKNYBINPC-OAHLLOKOSA-N 368.824 3.041 0 1 FGAF CC(C)(C)CN1CCC(Oc2cccc(C(=O)N3CCC[C@H]3CO)c2)CC1 11763890 OHFQRTMDVHZVLM-SFHVURJKSA-N 374.525 3.173 0 3 FGAF COc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1 12354255 UKWZOWCEYYIFMH-UHFFFAOYSA-N 351.362 3.318 0 1 FGAF CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13136362 OICVHXJTQGMQBA-LTIDMASMSA-N 363.255 3.339 0 1 FGAF Nc1nc2c(c(N3C[C@H]4NCCC[C@@H]4C3)n1)CCCC[C@@H]2c1ccccc1 169289624 KMYVBYYBQAUEAL-ZHALLVOQSA-N 363.509 3.105 0 1 FGAF Cn1cc(-c2ccccc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205425139 GDKHSAWBQQKHMF-UHFFFAOYSA-N 370.459 3.498 0 1 FGAF COc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857654069 WQFVEZIMNTXAGE-UHFFFAOYSA-N 357.841 3.496 0 1 FGAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1OC 103878177 UJILYCWRKBRAJY-CQSZACIVSA-N 369.377 3.119 0 1 FGAF COc1ccc(CN2C[C@@H]3CCC(=O)[C@@H]2CN3Cc2ccccc2)cc1 101193470 TZVJOPQQTYXFME-FPOVZHCZSA-N 350.462 3.113 0 1 FGAF Cc1ccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c12 28950587 TZDJCGKDXODSID-UHFFFAOYSA-N 359.393 3.247 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CCC2)[C@@H](C4)[C@@H]3[C@H]1C 29233413 HWXCULOUOMXWMG-KVADOWRVSA-N 367.489 3.293 0 1 FGAF COc1cc(O)c(C=CC(C)C)c2c1C(=O)[C@@H](O)[C@@H](c1ccc(O)cc1)O2 2356782241 DGBPCJYIKYLCQB-WOJBJXKFSA-N 370.401 3.453 0 1 FGAF CC(C)N1CNc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc21 70719111 JSORDYUBOMUIJI-UHFFFAOYSA-N 364.453 3.375 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCC3)cn2)cn1 96175492 CQOGWFJHAQUXAG-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF C[C@H]1NC(=O)C(c2ccc(F)cc2)=C1c1cc(Cl)c2c(c1)NC(=O)CO2 96283359 XWXVDWUFOLWWBG-SECBINFHSA-N 372.783 3.239 0 1 FGAF Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cn1 95603832 NFEBAWPCEJJNOV-UHFFFAOYSA-N 366.421 3.256 0 1 FGAF C=CC(=O)Nc1cccc(-c2nc(N=c3cc[nH][nH]3)c3ccccc3n2)c1 473088703 JKMKOWWGHUKUTE-UHFFFAOYSA-N 356.389 3.310 0 1 FGAF CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1 299858840 UOIHXXCRGILGCH-UHFFFAOYSA-N 361.419 3.251 0 1 FGAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587024263 RRCSYMSCQXLKHO-UHFFFAOYSA-N 362.461 3.062 0 1 FGAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587155995 PQNKMANGJDRIHQ-CQSZACIVSA-N 350.371 3.479 0 1 FGAF CCOC(=O)C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098171 VPZBIXILMMDYNB-UHFFFAOYSA-N 359.381 3.429 0 1 FGAF CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2ccc(S(C)(=O)=O)cc12 587650891 WNHYUASQDIJOFO-UHFFFAOYSA-N 372.446 3.154 0 1 FGAF O=C(O)[C@H]1CC(=O)N(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)C1 587213147 UCALZHAFEZXTTL-INIZCTEOSA-N 358.397 3.438 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(N)=O)c2[nH]1)C(C)(C)C 587204081 HVLOUTUPCORYDC-ZDUSSCGKSA-N 360.458 3.144 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cnc(OC)c1OC)[C@@H](C2)C3=O 587422389 PJWFNTWQLFXCAD-MGPLVRAMSA-N 361.781 3.250 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cc(C)cn4)o1)[C@@H](C2)C3=O 587431744 MAOMQONBXDMHEL-YWZLYKJASA-N 350.374 3.330 0 1 FGAF CC(C)OC(=O)C1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC(F)(F)C1 587131679 RLXLYMOPCYTKGF-UHFFFAOYSA-N 356.300 3.019 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H]1CCOC1)CC2=O 587494431 YLLYLPCFPTYAPX-RNODOKPDSA-N 362.422 3.038 0 1 FGAF CN(C)/C=C/[C@@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587516750 VXHQYDPJEKVOMC-KONDSOJQSA-N 351.450 3.235 0 1 FGAF CC(=O)N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(C)cc1 587207770 VJOODOBGPCJMOS-CQSZACIVSA-N 373.254 3.449 0 1 FGAF COC[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836666 XCNFDXYLNONWJY-PIGZYNQJSA-N 372.278 3.391 0 1 FGAF CC(=O)N1C[C@@H]2CC[C@@]3(NCCc4c3c(C(C)C)nn4C)c3cccc1c32 962921595 UTIPVSJOOUOJAU-OYHNWAKOSA-N 364.493 3.177 0 1 FGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3(CSCCSC3)N12 962666144 MGZTYHFXIJELTF-LJQANCHMSA-N 374.531 3.009 0 1 FGAF COc1cc2c(c(O)c1OC)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2 13360936 BHMFADZLRZHEEW-UHFFFAOYSA-O 368.409 3.090 0 1 FGAF COc1cccc2c1[C@@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@H]1C2 13733337 RDKHMRVCUUWLNS-IEBWSBKVSA-N 368.452 3.226 0 1 FGAF CCOC(=O)C1=C(c2ccccc2)c2ccccc2O[C@H]1C(=O)OCC 13814882 LQHYSNDOJQWHER-LJQANCHMSA-N 352.386 3.376 0 3 FGAF CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H](O)C/C=C\CCCC(=O)O 14781468 WPLPEZUSILBTGP-LWKIYNMMSA-N 354.487 3.353 0 1 FGAF in-vitro O=C(NCCc1ccccc1)OCc1cn(Cc2ccc(F)cc2F)nn1 201479042 GXFZDUSIGYGXOZ-UHFFFAOYSA-N 372.375 3.074 0 3 FGAF Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O 205424107 DWJNUFYDSXVEAZ-UHFFFAOYSA-N 355.401 3.074 0 1 FGAF CCCCC[C@@H](O)CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5513433 LLQBSJQTCKVWTD-OTFCYIJOSA-N 356.503 3.267 0 1 FGAF in-man C[C@@H]1CC[C@@H](c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)C1 1857570972 LSTKSEATDGHIEL-CHWSQXEVSA-N 360.479 3.304 0 1 FGAF C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1 1857593655 XWSVTTAELHOERS-GFCCVEGCSA-N 367.384 3.150 0 1 FGAF CN(C)C1=N[C@H](c2ccc3cc(OCc4ccccc4)ccc3c2)NC(=N)N1 1857642704 YPEVUCOZYOGAQU-HXUWFJFHSA-N 373.460 3.463 0 1 FGAF O=C(OC/C=C/C=C/[C@H](O)COC(=O)c1ccccc1)c1ccccc1 15270305 ZKZHJDDTYLGJIC-HKXUZJGWSA-N 352.386 3.174 0 1 FGAF COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O 1630591 RUJGLXSZNDOIME-UHFFFAOYSA-N 370.357 3.272 0 1 FGAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1 3814586 FQZPECQXBKABHG-UHFFFAOYSA-N 367.352 3.206 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356288296 ADWMXPCOUMDECN-KNKQGSTJSA-N 372.509 3.042 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@H]1[C@H]2C[C@@]2(C3=Nc3cc(OC)ccc32)[C@@H]1OC(C)=O 2356304713 CJRRQMKNRICNIF-LZFRLBTESA-N 364.445 3.003 0 1 FGAF Cc1cc(C)cc(OC[C@H](O)CCN2CCN(c3ccccc3)CC2)c1 29486268 KFTWLHKYTNCMQG-OAQYLSRUSA-N 354.494 3.255 0 1 FGAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64393132 QJQREYVFCQOAIW-VCOUNFBDSA-N 358.397 3.473 0 1 FGAF CN(C)CC[C@H]1CN(C)C(=O)c2cnc3cc(C(F)(F)F)ccc3c2O1 26297118 XYQUMGFNMXSJNI-LBPRGKRZSA-N 367.371 3.038 0 1 FGAF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 26824037 KHRSDHBNJFBBLC-ZYWYLMGOSA-N 356.466 3.344 0 1 FGAF CN(C)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2N(C)C)s1 23214226 LZOTZAWRSXPBHG-INIZCTEOSA-N 371.506 3.493 0 1 FGAF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@@H](C2)N(C)C[C@@H]3O 1610300 ITVKPOQYPPYHQA-KGLIPLIRSA-N 357.406 3.081 0 1 FGAF biogenic CC(=O)c1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12 36380206 ZKZSTXBCQNKWMX-UHFFFAOYSA-N 368.447 3.236 0 3 FGAF CC(C)[C@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O 71341265 HXVAXOYPIPUCRY-OAQYLSRUSA-N 362.385 3.313 0 1 FGAF O=C(Cc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72122659 OCIWBWKVULVRTK-UHFFFAOYSA-N 353.403 3.158 0 1 FGAF CC(C)CNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@H]1CCCO1 82177842 GNKFVCNSMPZUAD-MRXNPFEDSA-N 367.453 3.446 0 1 FGAF CC(C)=CCC[C@](C)(O[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC=C(C)CC1 238734171 QZHVNXNQIQXHJI-WQNFENHCSA-N 368.514 3.082 0 1 FGAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024055 MEDWFVQGMWWPNC-UHFFFAOYSA-N 362.461 3.062 0 1 FGAF COC(=O)[C@@H](C)[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443264 NCVFWORUEQCHIC-NYFKNOIKSA-N 366.413 3.233 0 1 FGAF Cc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203488 QUYDDIVJYYWJDX-INIZCTEOSA-N 353.378 3.314 0 1 FGAF COC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811290 WJJQBKNMDUVSRC-ABKXIKBNSA-N 356.235 3.291 0 1 FGAF COC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833791 ICNACCSNUNZWDX-BMIGLBTASA-N 358.251 3.359 0 1 FGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(N)=O)c2[nH]1)C(C)(C)C 587204080 HVLOUTUPCORYDC-CYBMUJFWSA-N 360.458 3.144 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)NC(C)C)cc1)[C@@H](C2)C3=O 587430976 XEXSZQBITWSQQN-OXJNMPFZSA-N 351.402 3.322 0 1 FGAF Cc1ccc(CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1N 587249578 CJQJTDGSBNSPKB-UHFFFAOYSA-N 374.448 3.298 0 1 FGAF COc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148645 JIFVXXQSYZHBKU-GFCCVEGCSA-N 357.360 3.366 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cl)cn2)N1 962966866 AULDFAFIRWYEKZ-RISCZKNCSA-N 359.159 3.355 0 1 FGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F 1772600463 MSQHYHHPFFDMFR-XJKSGUPXSA-N 372.440 3.370 0 1 FGAF C=C(c1c(Cl)ccc(Cl)c1OC[C@@H](O)CNC(C)C)n1ccnc1 5114449 DROIRVKNZDBEFR-ZDUSSCGKSA-N 370.280 3.447 0 1 FGAF COc1ccc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1O 13608690 ZXBWKOQIWCFRHE-INIZCTEOSA-N 359.378 3.292 0 1 FGAF C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 16041305 MKJKSDJSELYLIS-FOIQADDNSA-N 373.456 3.067 0 1 FGAF biogenic Nc1ccc(Cl)cc1S(=O)(=O)n1ccc([C@@H](O)c2ccccc2)c1 6581882 VZIOFADUBLLKMB-KRWDZBQOSA-N 362.838 3.042 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@H]2C[C@H]1O 2356387982 NCYSTSFUYSFMEO-HZZCBIDNSA-N 350.455 3.185 0 1 FGAF C/N=c1\c(NC(=O)c2ccc(Br)o2)c(O)oc2ccccc12 103705966 IVPIXJXODWJPTF-ATVHPVEESA-N 363.167 3.277 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 101763388 XNCWDLBBWYSKHK-VDJBXEQFSA-N 367.489 3.206 0 1 FGAF CCOC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O 103951549 ACKUZDMTGSDOBL-UHFFFAOYSA-N 359.813 3.147 0 3 FGAF CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1 59824010 HRBDNQPUZCPDTA-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF O=C(OCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2 28455780 VLIANQRCIMWNHF-GBJTYRQASA-N 356.235 3.186 0 1 FGAF O=C(O)c1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356508758 PJWVAAKQVGEWFF-YJBOKZPZSA-N 369.396 3.000 0 1 FGAF COc1ccc(-c2noc(CC(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 20515999 CAUBFNCLTKPLSU-GOSISDBHSA-N 363.417 3.482 0 1 FGAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@]2(O)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 2356750998 GSBOBEMEYQTIDQ-SAWXQHOISA-N 362.510 3.294 0 1 FGAF O[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2ccc(Cl)cc2)C1 2356851787 QJUPCPGFZDJXQP-HOTGVXAUSA-N 356.813 3.093 0 1 FGAF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C1CCCCCCC1 6476530 LMOODQBJMLJAGV-HXUWFJFHSA-N 365.477 3.376 0 1 FGAF biogenic CNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ncc12 210742451 RIBJTISRZQKZRV-RDJZCZTQSA-N 366.425 3.041 0 1 FGAF O=C1OCC(=C/c2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2 85916356 YBTVCUSZMGXJNW-IZUVBVRISA-N 350.326 3.168 0 1 FGAF CC(C)CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149346210 ZBRXNRXBDZNDTR-MRXNPFEDSA-N 374.506 3.073 0 1 FGAF CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3CO 238763367 XZVZLQYGHPQQLE-QEGKIEECSA-N 362.510 3.462 0 1 FGAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3ncnn3C3CCC3)sc1-2 95581853 UOVIUUFDXQXCAS-UHFFFAOYSA-N 366.446 3.432 0 1 FGAF CCCOc1nccc2c(-c3cnc(-c4ccc(CO)nc4)s3)[nH]nc12 653799883 AHCCZFIPLMGFCL-UHFFFAOYSA-N 367.434 3.425 0 1 FGAF CC(C)(SCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)O 586959753 QCSGQJHLOCHVIN-UHFFFAOYSA-N 354.741 3.073 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cc(F)cnc2[nH]1)C(F)(F)F 587093453 UMLPSLDMSNYYIZ-HNNXBMFYSA-N 354.307 3.260 0 1 FGAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1 587018906 CJJWVYRDVRQXTH-UHFFFAOYSA-N 366.406 3.355 0 1 FGAF O=C([C@@H]1CCN(Cc2ccccc2)C1)n1ncc2ccc(Cl)cc2c1=O 587654548 LMHGVDZWGQCSHK-MRXNPFEDSA-N 367.836 3.212 0 1 FGAF O=C(N[C@@H]1CCc2cccc(Br)c21)[C@H]1COc2ncccc21 1772653222 NZCFDDMETPJUAL-GXTWGEPZSA-N 359.223 3.124 0 1 FGAF O=C(NCCc1cccs1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11842396 DFHCTROSBTYOHP-MRXNPFEDSA-N 374.481 3.027 0 3 FGAF CCCCN1C(=O)C[C@@H](C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731459 WBWAIROHOVDOHM-SUTQANCOSA-N 370.493 3.475 0 1 FGAF NC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 14945635 UHDBTECGKHARHG-UHFFFAOYSA-N 368.343 3.016 0 1 FGAF Cc1cc(O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)o1 1857633734 MYWJUXVGSLBVMJ-UHFFFAOYSA-N 351.358 3.485 0 1 FGAF OCc1cccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)c1 220728456 ULSWTLXHFXQDIA-SFHVURJKSA-N 366.490 3.433 0 1 FGAF COc1ccccc1Cc1noc(C(C)(C)NC(=O)c2ccccc2)n1 1325327 LZCSWEZGWBELFH-UHFFFAOYSA-N 351.406 3.334 0 3 FGAF CO[C@@H](c1ccccc1)[C@H](O)[C@](O)(c1ccccc1)P(=O)(OC)OC 1656848 UDUCETYLSJAFTA-BZSNNMDCSA-N 366.350 3.066 0 1 FGAF OC[C@@H]1O[C@@H](/C=C\c2ccccc2)C=C[C@H]1Oc1ccc2c(c1)OCO2 7992643 XABUZAPEWOEFMZ-JZDSCJGHSA-N 352.386 3.192 0 1 FGAF CN1CCC(n2[nH]cc3nc(-c4ccc(-c5csnn5)cc4)nc2-3)CC1 103595619 HUWQHEFLEHJUFS-UHFFFAOYSA-N 365.466 3.163 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)[C@H]1CC[C@H](C2)N1 100632871 KHORPUNSGKTHMR-IUODEOHRSA-N 368.458 3.066 0 1 FGAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356301110 VLVOTEXQVGZTSY-JZXOWHBKSA-N 365.495 3.294 0 1 FGAF CC(=O)N1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1 26831485 FCKQHLJTBPALLB-UHFFFAOYSA-N 353.447 3.144 0 1 FGAF CCCCc1nc(CC(=O)O)c(Cl)n1Cc1ccc(C(=O)O)cc1 28759121 ZSIDFDJDPJLCOG-UHFFFAOYSA-N 350.802 3.253 0 1 FGAF CCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 61908567 GQTVQIDBYLCWEQ-OAQYLSRUSA-N 354.498 3.215 0 3 FGAF O=C(CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1 64526947 KYKUOSCWQYDWHR-UHFFFAOYSA-N 367.430 3.177 0 1 FGAF NC(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)cc1 61902795 JGEQZKNXCQLESN-INIZCTEOSA-N 368.462 3.202 0 3 FGAF CC(=O)N1CCC[C@@]1(Cc1ccc(F)cc1)C(=O)OCc1ccccc1 49087745 XBNKNACFODRULP-OAQYLSRUSA-N 355.409 3.493 0 1 FGAF Cc1ccc(-c2cnc3c(N4CCOC[C@@H]4C)nc(Cl)nc3n2)cc1 139699527 PPJQEFMGCSMFTQ-LBPRGKRZSA-N 355.829 3.274 0 1 FGAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1 222635322 AQLRACJBJOQHGY-SJORKVTESA-N 362.433 3.037 0 1 FGAF O=C(Cc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCOc2ncccc21 146668733 MQMNSTAZZVVJFY-CQSZACIVSA-N 354.303 3.422 0 1 FGAF O=C(Nc1ccc(F)cn1)c1ccc([S@](=O)Cc2ccccc2)nc1 261150072 OSAZAHFGQFSJCW-RUZDIDTESA-N 355.394 3.176 0 1 FGAF Cc1ccc(Cl)cc1-c1cn(-c2ncnn3cccc23)cc1C(N)=O 299870730 WWJNWSWLCSQEBC-UHFFFAOYSA-N 351.797 3.248 0 1 FGAF Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 653793700 XJMSMCPJXGVMCL-YADHBBJMSA-N 360.461 3.311 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccn(CC)n1)CC2=O 587475301 LVBOFDLTVWPGSO-ZOXUKVPXSA-N 369.465 3.497 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760133 XLKZMYJSHGXNAJ-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587765027 BEOURZOGWHXKLE-PIGZYNQJSA-N 369.278 3.350 0 1 FGAF CCOC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990204 BCZFJUNYXWXOJE-LLVKDONJSA-N 359.381 3.430 0 1 FGAF CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929580 VZHDZDTZJUCSIY-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1COCCO1 587858526 ITYASYFNSQYDQM-CQSZACIVSA-N 371.220 3.311 0 1 FGAF Cn1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N 587343798 VJQDMNFPDXOEAN-PXNSSMCTSA-N 367.380 3.121 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)c(F)cc3[nH]2)cc1 586941647 UNORIRAHZCSWQT-BQYQJAHWSA-N 359.426 3.409 0 1 FGAF CN(C(=O)OC(C)(C)C)C1CCC2(CC1)NCCc1nc3ccccn3c12 962979921 AZTXCHKFRPTCSJ-UHFFFAOYSA-N 370.497 3.485 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc(Cl)cc3c2OCOC3)N1 962900656 SCPDRARUVKPPBP-JKSUJKDBSA-N 363.772 3.034 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CC2CCCCC2)(c2ncccn2)N1 962894342 IUJRZYHUBWHTHG-GHTZIAJQSA-N 369.440 3.429 0 1 FGAF COCCCNC(=S)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1 13556120 DMMZBVMRVHFAGC-HNNXBMFYSA-N 360.527 3.270 0 3 FGAF Cc1nc(C(=O)NC[C@H]2Cc3cccc(-c4ccncc4)c3O2)cs1 14997091 UFADOBBARMXIOS-OAHLLOKOSA-N 351.431 3.247 0 1 FGAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3ccc(F)cc3)cn21 169330960 YHZYNNQYZPVEPM-INIZCTEOSA-N 357.429 3.131 0 1 FGAF CCOc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709266 XZXFJBIKAJTFNR-HNAYVOBHSA-N 369.465 3.335 0 1 FGAF COc1ccccc1C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205225341 CDHHKDGZAGCPMS-BLLLJJGKSA-N 374.799 3.363 0 3 FGAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)cc2N1C1CC1 1857639013 AFBFACBEVXHCIF-AWEZNQCLSA-N 361.445 3.223 0 1 FGAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 1656440 ODUPYNQIZWDIOB-AABGKKOBSA-N 373.456 3.113 0 1 FGAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356328382 UEQFUKYSYIDACR-LPNJYYIDSA-N 358.434 3.359 0 1 FGAF O=S1(=O)N(Cc2ccccc2)CCCN1Cc1cccc(Cl)c1 8607238 SBOAXAMEZCVXOI-UHFFFAOYSA-N 350.871 3.293 0 1 FGAF CCCCNC(=O)c1onc(CSc2cccc(F)c2)c1C(=O)O 8672369 YPWDVUGUJYLYDN-UHFFFAOYSA-N 352.387 3.334 0 3 FGAF O=[N+]([O-])/C=C(\NCCCn1ccnc1)Nc1ccc(C(F)(F)F)cc1 101285145 FICHGENUBRNSQB-GXDHUFHOSA-N 355.320 3.069 0 1 FGAF CC(=O)c1ccc2c(c1C)[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 29333090 SUBPKBYTROQWHY-RBUKOAKNSA-N 371.408 3.340 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)N[C@H]3CCCC[C@@H]3N2)cc1 27098502 WJASGKFVGUSBTB-ROUUACIJSA-N 373.460 3.100 0 1 FGAF CCOC(=O)Nc1cc2c(c(NC(C)=O)n1)N=C(c1ccccc1)CN2 26402539 CIKQVKXBHHRFRN-UHFFFAOYSA-N 353.382 3.155 0 1 FGAF C[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 2356657673 PQDLJCPCZJBEBP-DVOSIEBGSA-N 368.470 3.011 0 1 FGAF CCOC(=O)c1nn(CCO)c(C)c1Cc1cc(Cl)cc(Cl)c1 34336245 PUSLWPBZWZQFEM-UHFFFAOYSA-N 357.237 3.258 0 1 FGAF COc1ccc2c(c1OC)N(C=O)C13CCC4(CCCN5CC[C@@]21[C@@H]54)CC3 14857205 ZQIZRPRLODREBX-SAZYNNDCSA-N 368.477 3.099 0 1 FGAF biogenic COc1cc(C(=O)c2oc3c(OC)cccc3c2N)cc(OC)c1OC 40951897 PMYWHJDMXBKMAH-UHFFFAOYSA-N 357.362 3.280 0 1 FGAF CC(C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49088456 NLCFXBSCEYXUDQ-UHFFFAOYSA-N 363.826 3.248 0 1 FGAF CCCCNc1nc(N2CCN(CC)CC2)nc2cc(OC)c(OC)cc12 82129969 UMDQKVNYIJJMJT-UHFFFAOYSA-N 373.501 3.001 0 1 FGAF CS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 140098690 BCAKUFHSLVJJMR-UHFFFAOYSA-N 356.382 3.397 0 1 FGAF COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 95554108 KIURSEWENRYPDI-UHFFFAOYSA-N 353.426 3.191 0 1 FGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1 149857304 PHRRPQIIQQIXRI-CQSZACIVSA-N 352.221 3.302 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccco3)C2)O1 96019028 AGJWXBIAQRPWIV-UZLBHIALSA-N 362.470 3.082 0 3 FGAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)NCc1ccccc1)[S@]2=O 253690873 NSHBKHDATKZYGW-SANMLTNESA-N 371.458 3.226 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1 587133481 XXRODIYBZXUMHA-UHFFFAOYSA-N 352.362 3.310 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580125 HHDMZLKTUYPCQW-YLJYHZDGSA-N 350.374 3.311 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963241 YSPRIBXOXZOTRC-SCSAIBSYSA-N 357.226 3.196 0 1 FGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC1CCC1 587660884 IPPULTAFUCZZFO-UHFFFAOYSA-N 353.422 3.478 0 1 FGAF CCNC(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587230878 NTBADCZZYFWCLY-UHFFFAOYSA-N 364.165 3.413 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587582945 PRUALVWXEFZLOU-XXHMAFKTSA-N 365.385 3.105 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cnnn3)cc1)CC2=O 587474929 IKXQACXYIVHDHC-HXUWFJFHSA-N 364.405 3.201 0 1 FGAF Cc1ccc2c(ccc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c32)n1 586953409 UBDIJDSEBOUMCN-UHFFFAOYSA-N 372.494 3.418 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1 586950802 MPSNMNOQYKKAHD-UHFFFAOYSA-N 373.434 3.167 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccco1)C(=O)O 587617646 QCQYPPBQMCZQHB-UZLBHIALSA-N 366.325 3.013 0 1 FGAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587938640 XZGRFQQXFASGKK-KZULUSFZSA-N 353.422 3.110 0 1 FGAF COC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587803823 CAGXLZAAPJSBMG-BJOHPYRUSA-N 356.235 3.291 0 1 FGAF COc1ccc(N2C(=O)c3ccccc3N/C2=C\CC(=O)O)c(OC)c1 957725174 OODODORMYCFBRQ-RQZCQDPDSA-N 354.362 3.092 0 1 FGAF CCC(CC)[C@]1(c2c[nH]c(C(=O)O)c2)c2ccsc2CCN1C(N)=O 962705902 HOSMTWSAOKYESG-SFHVURJKSA-N 361.467 3.391 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccn1 12714144 PEVNFLNGRYQRLA-MRXNPFEDSA-N 354.360 3.353 0 3 FGAF C[C@H]1CC(=O)Nc2c1c(Br)nc1nc3c(c(N)c21)CCCC3 1857589839 BBINOFJSCCYXHS-ZETCQYMHSA-N 361.243 3.299 0 1 FGAF C[n+]1ccn([C@@H](Cn2cnc3ccccc3c2=O)c2cc3ccccc3o2)c1 1857615419 FAKKDHVFCWDRFI-IBGZPJMESA-N 371.420 3.058 0 1 FGAF COc1cc([C@@H]2C(=O)NC(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC 1857762347 CGCFGRRFOVORIO-QGZVFWFLSA-N 370.405 3.127 0 1 FGAF COc1ccccc1NC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C 4938551 ANWDFIUWRLUYRM-UHFFFAOYSA-N 361.401 3.291 0 3 FGAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(CC2CCCCC2)CC1 117386325 SYMNHJRZNBFYRC-HNNXBMFYSA-N 369.509 3.347 0 1 FGAF COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1 26397446 ZMDNZHAORHAAFW-UHFFFAOYSA-N 371.389 3.066 0 1 FGAF COC(=O)[C@H](CCC(=O)O)NC/C=C/c1cccc(Oc2ccccc2)c1 29570959 PUECJPUQNOEWBE-FNQPIQQGSA-N 369.417 3.488 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN[C@H]2[C@@H](C(C)C)[C@H](O)C[C@@]13C 2356558415 YULGNBRYMYBJBM-WDVWFTEASA-N 373.537 3.297 0 1 FGAF CCCCC1=NC2(CCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 28867657 MSFLLWRKYGCUSF-UHFFFAOYSA-N 367.449 3.026 0 1 FGAF O=S1(=O)N=C(NC2(c3ccccc3)CC2)Nc2cc(Cl)sc21 38157782 NSHQOOIHPDLZQY-UHFFFAOYSA-N 353.856 3.151 0 1 FGAF COc1cccc(CNC(=O)c2cc3cnc(-c4cn[nH]c4C)cc3[nH]2)c1 73164294 FKVZGPYNRDQDAJ-UHFFFAOYSA-N 361.405 3.200 0 1 FGAF O=c1[nH]c2cccc3c2nc1-c1cccc2c(=O)n(sc12)CCCCO3 36188409 OCOMMYNJOPEFHA-UHFFFAOYSA-N 365.414 3.139 0 1 FGAF COc1cc([C@H](CC(=O)c2ccccc2)NC(C)=O)cc(OC)c1OC 72116270 HCNDAIWCSIKYEK-INIZCTEOSA-N 357.406 3.163 0 1 FGAF O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccccc1 82081991 KJJBAGROLHVMRK-UHFFFAOYSA-N 368.393 3.336 0 1 FGAF CO[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)C1 221265676 NWKQEAVQSYQHEJ-CQSZACIVSA-N 353.426 3.032 0 1 FGAF CCCCCCOc1cc(C)c(C(=O)CCN2CCNC(=O)C2)c(C)c1 43068582 OBGWNTSKGJQLFY-UHFFFAOYSA-N 360.498 3.267 0 1 FGAF O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(CO)C1 145882141 CTMRVMRGHADDPR-UHFFFAOYSA-N 357.469 3.360 0 1 FGAF C[C@@]1(c2ncc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567822 FIRXLVHTCRIODB-DNVCBOLYSA-N 352.321 3.198 0 1 FGAF COC(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1OC 586881355 WXAGYDUTHZRFBT-JXMROGBWSA-N 352.346 3.123 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1F)O2 587386742 LYTMTGZXRVZGCG-KXBFYZLASA-N 364.417 3.260 0 1 FGAF COc1cc(-c2nc3c(Br)ccnc3[nH]2)cc(OC)c1O 587783992 CLTATHODWVRVLF-UHFFFAOYSA-N 350.172 3.110 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cnccn2)N1 587774694 NYECVNCGMZDWRN-MGPLVRAMSA-N 350.235 3.370 0 1 FGAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(N)ncnc3[nH]2)c1 587198834 RXYZLOSGSBDWCD-UHFFFAOYSA-N 354.414 3.282 0 1 FGAF COc1cccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1O 587785581 DDAKUXYNTJFMBT-UHFFFAOYSA-N 372.324 3.238 0 1 FGAF CCOC(=O)c1cc(Br)c2nc(/C=C/C=C/C(=O)O)[nH]c2c1 587965287 JEXVESHAGXKTMI-GGWOSOGESA-N 365.183 3.156 0 1 FGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587259585 FHPZJLGOKZJQDO-LBPRGKRZSA-N 366.318 3.062 0 1 FGAF CCOC(=O)[C@H](CC(C)(C)C)[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962891501 BPYSHFSNXOATHG-PMPSAXMXSA-N 351.418 3.081 0 1 FGAF CC(C)c1nn(C)c2c1[C@](c1ccccn1)(c1cccnc1Cl)NCC2 962911113 OSFJDFWQNUDWMG-HXUWFJFHSA-N 367.884 3.425 0 1 FGAF O=Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962648337 ZMIZJTXTDQACRE-TZMCWYRMSA-N 371.336 3.148 0 1 FGAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)cc1 15961677 VVJUKCSHBNGAFT-HQWZXOHUSA-N 369.490 3.277 0 3 FGAF Cc1cc(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C 3948289 FCBSUZOSPAIZHX-FQEVSTJZSA-N 373.412 3.442 0 1 FGAF CCc1nc2nc(C)cc(NC3CCN(Cc4ccccc4)CC3)n2n1 6821523 SDXWPKHAAGKFDS-UHFFFAOYSA-N 350.470 3.072 0 1 FGAF CC(C)Oc1cc(N2CCOCC2(C)C)nc2c(-c3cc[nH]n3)nccc12 1911583080 OGMPLWQAYYZFDG-UHFFFAOYSA-N 367.453 3.422 0 1 FGAF Cn1c(-c2cccs2)nc2ccc(I)cc2c1=O 103178260 NAARGNAPJVGCRR-UHFFFAOYSA-N 368.199 3.267 0 1 FGAF CON(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 100941081 RHQIGACYPYFPMM-AYUOOJHXSA-N 360.498 3.279 0 1 FGAF CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1 28237032 YSQURFDNBAKACA-UHFFFAOYSA-N 351.922 3.405 0 1 FGAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 22001248 MSKAFRMBWXTPHY-WDMNMGCXSA-N 371.393 3.423 0 3 FGAF investigational CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61895668 WFVWLMIINQQRGH-QGZVFWFLSA-N 372.387 3.354 0 3 FGAF CCOC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@H]1c1cc[nH]c1C[C@]34C 2356519556 HORWUZVIXQFJDV-OHBHTWSMSA-N 371.477 3.259 0 1 FGAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)O1 2356618059 DCLAGIMGOADQIA-INIZCTEOSA-N 358.390 3.399 0 1 FGAF CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356702884 ZMZWVJLMOBCSEP-SLWXAUBPSA-N 360.450 3.091 0 1 FGAF CCCCO[C@H]1C=Cc2c(cc(O)c(OC)c2O)CC(=O)O[C@@H](C)C1 2356720928 ODGHZFOGPPEMMC-JSGCOSHPSA-N 350.411 3.183 0 1 FGAF C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2cc4c(cc2O)OCO4)[C@@H]1C)OCO3 2356769580 IWVMYNUBGFIYHI-GPHJXTMHSA-N 354.358 3.450 0 1 FGAF COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(OC)n1 49126073 KIDHPANWQCFYNM-SECBINFHSA-N 350.806 3.024 0 1 FGAF CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cc(C)ccc3nc2Cl)S1 98083279 NNOOHEIYUOYVHA-OAHLLOKOSA-N 362.842 3.198 0 1 FGAF COC(=O)[C@@H]1[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594864 PNMVLELXODYUAO-NPZTYHQZSA-N 368.385 3.312 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060681 RNONXRSRRDQXMM-UHFFFAOYSA-N 363.826 3.262 0 1 FGAF O=C1C[C@H](Cc2nc3cccnc3[nH]2)c2c(Br)cccc2O1 587004045 QBIUFKZMOGNCOE-VIFPVBQESA-N 358.195 3.356 0 1 FGAF CC1=C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CN2NC=NC2=N1 587106008 JRUSHCDWBGLLIC-UHFFFAOYSA-N 365.396 3.395 0 1 FGAF CC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579503 OKVCYNZIECGRAK-UARVQCNDSA-N 367.401 3.171 0 1 FGAF Clc1ncc(-c2nc3cccc(I)c3[nH]2)cn1 587085812 JFEDIDBFOJAHIM-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Cc1ccccc12 587816976 GSWYJYDNBDRPPB-MLCYQJTMSA-N 360.226 3.491 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(C)cc32)N1 587761764 VTEMCMLQWBYTPT-QGHHPUGFSA-N 364.262 3.436 0 1 FGAF CCOC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587117462 CKJRMYJABBCKCK-UHFFFAOYSA-N 352.316 3.198 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2nncn2n1 587863086 CCXILMXFVZMVOE-UHFFFAOYSA-N 360.299 3.004 0 1 FGAF CO[C@@H]1CCN(Cc2cc([C@]3(C)CCSC(=N)N3)c(F)cc2F)C1 1772577530 FSKVGYAMIKBJFU-PXAZEXFGSA-N 355.454 3.062 0 1 FGAF CCCSc1nc(Nc2ccc(Cl)cc2)c2nnn(CCO)c2n1 1772584364 IEASGHVUWLVOBQ-UHFFFAOYSA-N 364.862 3.113 0 1 FGAF Cc1ccc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1 169334997 GZBJERWTCBNIEX-UHFFFAOYSA-N 372.472 3.457 0 1 FGAF Cc1nc2cccc(-c3cc4c(n3C)CCNC4=O)c2nc1NC(C)(C)C 206139157 JOOLQZAACBCCFW-UHFFFAOYSA-N 363.465 3.440 0 1 FGAF C[C@H]1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206154377 HXHONJOGHINXKL-LBPRGKRZSA-N 374.491 3.481 0 1 FGAF CC(C)[C@H](CO)NCc1nc(-c2ccnc(C(F)(F)F)c2)ccc1F 204410737 ORRIKOCQJYIFBJ-HNNXBMFYSA-N 357.351 3.408 0 1 FGAF CC[C@H](C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 205515152 CBTYCWPUILXVCP-NDMJEZRESA-N 372.416 3.141 0 3 FGAF CCCCC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 13339604 MZYZWZXTHYCVHQ-KLCPXQDDSA-N 354.487 3.043 0 1 FGAF CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(C)cc1)N=2 6601932 XTAZPDMYFPOVSY-UHFFFAOYSA-N 369.468 3.443 0 3 FGAF CCCn1c(-c2ccc(F)cc2)nc2c(N3CCN(C)CC3)nc(C)nc21 7991793 CJZKZJFENHVABN-UHFFFAOYSA-N 368.460 3.103 0 1 FGAF C[C@@H](CCc1ccccc1)NC(=O)Cn1ncc2c3ccccc3nc-2c1O 103536007 WNVJEKJVQSBYDU-HNNXBMFYSA-N 374.444 3.379 0 1 FGAF CC[C@@H]1C[C@H](OC(C)C)N(C)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103215064 WOXIFYBESQTQTO-HIFRSBDPSA-N 368.865 3.383 0 1 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@@H]1c1ccc(OCC)c(OC)c1 102912946 GTOJBXMGTJIMJU-GROYHEBESA-N 372.425 3.495 0 1 FGAF CC(=O)O[C@H]1CC(C(=O)O)=CCCC(C)=C[C@@H](OC(C)=O)[C@H]1C(C)C 2356476406 DMIGIXZMNGJDMW-FGTMMUONSA-N 352.427 3.263 0 1 FGAF CC(=O)O[C@@H]1C=C(C)CCC=C(C(=O)O)C[C@@H](OC(C)=O)[C@@H]1C(C)C 2356476409 DMIGIXZMNGJDMW-KZNAEPCWSA-N 352.427 3.263 0 1 FGAF CCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 28236132 NDLFGMFEIAWZRU-UHFFFAOYSA-N 351.922 3.405 0 1 FGAF C[C@]1([C@H](O)C=Cc2ccccc2)C(=O)O[C@H](CCc2ccccc2)C[C@H]1O 2356606031 ZYORESFJFXBQPU-YYTDSSBASA-N 366.457 3.376 0 1 FGAF COCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82141305 MYDVFUVQAILTNE-UHFFFAOYSA-N 372.444 3.404 0 1 FGAF CC(=O)Oc1ccc(/C=C/C=C/C(=O)N2CCCCC2)cc1OC(C)=O 84617818 FRTBVNGOQKIFQJ-KBXRYBNXSA-N 357.406 3.119 0 1 FGAF COc1ccc(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1O 73101223 CKCKGXKRQSDPEV-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro COc1cncc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121251 ZMNUTZWXVNYBTP-UHFFFAOYSA-N 351.210 3.394 0 1 FGAF COc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587775945 VDAMVSNYKGSPHH-XLKFXECMSA-N 352.207 3.010 0 1 FGAF Nc1ccc(-c2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)cc1N 587250264 LJLNKOMCVQOMCM-UHFFFAOYSA-N 359.389 3.342 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)C1)O2 587396146 PUFNHUHOXKJKTD-NRFANRHFSA-N 366.417 3.324 0 1 FGAF Cc1c(O)ccc2c1[C@@H](c1nc(C(C)C)n3ccccc13)N[C@H](C(=O)O)C2 963475036 ZINVNOZODIDDAN-LIRRHRJNSA-N 365.433 3.160 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(C=C(c3cccnc3)CCC1)N[C@H](C(=O)O)C2 963465437 CNQOOYUYGMDGMW-LAUBAEHRSA-N 350.418 3.157 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3nc(Br)cs3)c3cccc1c32 963032738 SNGXCNODLOREAX-RTHLEPHNSA-N 364.268 3.048 0 1 FGAF O=C(O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 1772577000 ITFRQYXGWBNQEJ-UHFFFAOYSA-N 354.406 3.451 0 1 FGAF CN(O)C(=O)NCCSc1nc2cc(C(F)(F)F)ccc2s1 13650919 SNAIDBXWUCLZGO-UHFFFAOYSA-N 351.375 3.438 0 1 FGAF O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\N1CCCCC1)n1cncn1 1513067 ZPOMVBJHHLCVBP-PKNBQFBNSA-N 352.609 3.052 0 1 FGAF CCC(=O)Nc1cccc([C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 1857651272 LZHKNGBUXAHCMK-SFHVURJKSA-N 370.405 3.176 0 1 FGAF O=S(=O)(Nc1nnc2c3ccccc3ccn12)c1ccc(F)cc1S 1650666 NQMJYSNYMQGWPN-UHFFFAOYSA-N 374.422 3.111 0 1 FGAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1cnc3ccccc3c1)C2 2356440886 UUEARFPATUKPNC-HXUWFJFHSA-N 362.477 3.141 0 1 FGAF CC/N=c1\c(NC(=O)c2ccc3c(c2)OCO3)c(O)oc2ccccc12 102835636 PTZWOFVBYDTLPK-SILNSSARSA-N 352.346 3.040 0 1 FGAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2C)cc1 100109431 BEDRWWXRVWDJEA-ALWPKHFBSA-N 368.502 3.157 0 1 FGAF COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CC3CCN2CC3)cc1 29545560 JGEWXQANFULTPF-NRFANRHFSA-N 353.462 3.424 0 1 FGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@H]1CN(CC3CC3)CC[C@@H]1N=C2 27087249 QCNXINIQJHEAHO-IRXDYDNUSA-N 356.857 3.232 0 1 FGAF CCOC(=O)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1 64475261 APJOTHWKRWFQEJ-UHFFFAOYSA-N 353.422 3.298 0 1 FGAF O=C(Nc1nccs1)c1c(CO)nc2c(C(F)(F)F)cccc2c1O 29238423 HBSLYOMIKZBNJK-UHFFFAOYSA-N 369.324 3.160 0 1 FGAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](OC)[C@@H]1OC(=O)CN(C)C 2356702669 OZPUDNHYNHCYDF-VMXMFDLUSA-N 365.514 3.369 0 1 FGAF Cc1cc2oc(=O)cc(CN3CCN(C4=CC=C[CH]N4)CC3)c2cc1Cl 2356817635 SIJCSMGAJHOFTG-UHFFFAOYSA-N 370.860 3.035 0 1 FGAF CS(=O)(=O)c1ccc([C@@H]2SCCC(=O)N2C2CCCCC2)cc1 71295538 KYUMWHKUAXNXSN-KRWDZBQOSA-N 353.509 3.387 0 1 FGAF CCCCC[C@@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 33838874 UXVRTOKOJOMENI-AIVPEBGDSA-N 352.471 3.129 0 1 FGAF CCCCOc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)c(C)c1 38208702 VBBNWIOFSLPDPL-UHFFFAOYSA-N 357.494 3.456 0 1 FGAF CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 43078049 QECSLNSAYMSPEK-ZDUSSCGKSA-N 351.809 3.321 0 1 FGAF in-vitro C[C@@H](NCc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl 49112372 QICFULGAOAYEPU-GFCCVEGCSA-N 355.825 3.298 0 1 FGAF COCc1[nH]nc2c1[C@H](c1ccc(F)cc1)N(c1ccc(OC)cc1)C2=O 199731438 BUZBWWPLPIWWPD-IBGZPJMESA-N 367.380 3.454 0 3 FGAF c1cc(-c2ccncc2)c2nc(Nc3ccc(N4CCOCC4)cc3)nn2c1 142813266 KOZOUMAVURYFHK-UHFFFAOYSA-N 372.432 3.372 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCS(=O)(=O)c3ccccc31)O2 587408782 DJUXURCXDDCNID-LJQANCHMSA-N 357.431 3.005 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2nccn2c1 587872696 RLKCDWMNHZHMSA-UHFFFAOYSA-N 350.353 3.424 0 1 FGAF COc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774315 MGDXUAMXWXMKAD-XLKFXECMSA-N 352.207 3.010 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c[nH]nc32)N1 587795890 PDGLSYUGCINAFI-XXFAHNHDSA-N 350.235 3.425 0 1 FGAF CCOC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc1C 587457024 ZBWYVZBMAPGNTF-JLTOFOAXSA-N 356.374 3.436 0 1 FGAF CCOC(=O)[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597170 PXBMSIMMZANEPK-KRYHZZBUSA-N 356.374 3.312 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccnc1)CC2=O 587486506 CEIOMZANFOEWFX-HXUWFJFHSA-N 355.390 3.164 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2N1 587126161 WJUATZKHPIHNFL-JMCQJSRRSA-N 365.315 3.432 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cnc(C)c(Br)c3C)nc12 586978955 DCNKJKSOWBOETM-UHFFFAOYSA-N 361.199 3.186 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccnc1F)CC2=O 587472010 OREVRUMSBJKVRY-FQEVSTJZSA-N 373.380 3.303 0 1 FGAF CS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017106 HZCFHKAQRNVIHL-UHFFFAOYSA-N 359.432 3.274 0 1 FGAF C[C@]1(C2(Cl)CC2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699357 JCXHOVNQOGHSHF-YPMHNXCESA-N 351.727 3.430 0 1 FGAF CCCCC[C@H](O)/C=C\[C@H]1[C@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O 13704524 DZUXGQBLFALXCR-KRUNLESDSA-N 356.503 3.267 0 1 FGAF in-vitro CC(C)n1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731379 RUTLJOSDOHQOFL-XYPWUTKMSA-N 354.450 3.364 0 1 FGAF CC(C)N1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 13835326 XUTPUHGGIGOSKG-UHFFFAOYSA-N 353.462 3.339 0 1 FGAF COc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C 169687179 IGXVWJWCUSMRHI-OALUTQOASA-N 365.429 3.303 0 1 FGAF CCCCN(C)C(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 2452357 LPNXLZCDJHMUGB-UHFFFAOYSA-N 362.499 3.017 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@](C)(C[C@H](O)c3ccoc3)[C@H]3C[C@@H](OC3=O)[C@]12C 2356384834 OUDOZOWBJINZGF-CIJYDTQTSA-N 374.433 3.170 0 1 FGAF CC1=C[C@H](O)C[C@](C)(O)CC=C[C@H](C(C)C)CC[C@](C)(O)[C@H](O)CC1 2356455277 NANZSPCGNXRSPO-AFDCHOCNSA-N 354.531 3.339 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC 2356399220 PXDMIVVIKCMLCB-DMUMMCEESA-N 364.482 3.116 0 1 FGAF CN(c1ccccc1)[C@H](c1ccc(F)cc1)c1nnnn1C[C@H]1CCCO1 7991642 KTRHXHKCTSKFGP-RTBURBONSA-N 367.428 3.217 0 3 FGAF CC[C@@]12CCCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@H]32 7998065 CITPXCNSMZMNIW-UPZYVNNASA-N 370.493 3.432 0 1 FGAF COC(=O)[C@@]1(C)CCCC2=C1[C@@H](O)C[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 1911585892 YWZQQVXWYQADTF-UAQKQZTHSA-N 374.433 3.315 0 1 FGAF O=C(NC1CCCCC1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290414 RVWPLXBGAAQSGG-MRXNPFEDSA-N 361.417 3.399 0 1 FGAF COc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937906 WCIMNWWUWRWLBO-IRLDBZIGSA-N 370.468 3.021 0 1 FGAF Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12 36242928 SGZFBLCNGYGISG-UHFFFAOYSA-N 367.412 3.463 0 1 FGAF O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C1CC1 6885607 DMJQJYKNIPWRPC-KNQAVFIVSA-N 371.440 3.015 0 1 FGAF biogenic C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CC3)c2cn1)c1ccccc1 210754331 RVZJVFKQSZRLHW-LLVKDONJSA-N 364.409 3.189 0 1 FGAF CC(=O)Oc1ccc(C)cc1C(=O)Nc1ncc(Br)s1 43129640 FKLVKKGRGXWWCN-UHFFFAOYSA-N 355.213 3.392 0 1 FGAF CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 49072715 WKNMEUSGOJIXHX-UHFFFAOYSA-N 373.503 3.471 0 1 FGAF Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 45364883 KOTPMHSELVJHPI-LJQANCHMSA-N 362.477 3.169 0 1 FGAF Cc1cccc(CNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)c1 82203574 BPRICPXLMLWHPP-UHFFFAOYSA-N 374.492 3.427 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cnccn5)n4)CCC3)cc2)cn1 149790200 PNCZUZWNZUGFNI-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF CC(C)(C)OC(=O)NCCC[C@H]1N=C2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)OC1=O 653825280 UOWPVGVOUVDLHG-POLYTFBCSA-N 364.486 3.482 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3cnncc3[nH]2)cc1Cl 586968948 ZRQOSHPZKDDIDH-UHFFFAOYSA-N 357.830 3.188 0 1 FGAF COc1cc2nc(-c3cncc(I)c3)[nH]c2cc1F 587186037 YUNAEJNGEUVYEK-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF N=c1cc[nH]cc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578100 MFPXZOKIUQWWLI-DENIHFKCSA-N 374.396 3.467 0 1 FGAF COC(=O)c1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1OC 586881356 WXAGYDUTHZRFBT-YFHOEESVSA-N 352.346 3.123 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C(=O)O)c2[nH]1 587067327 UPVFXLHWGKBHNR-UHFFFAOYSA-N 360.753 3.315 0 1 FGAF Fc1ccc(-c2cn3c(Cc4nc5ncc[nH]c-5n4)csc3n2)cc1 587166045 LGTBFWCWUAMSQD-UHFFFAOYSA-N 350.382 3.411 0 1 FGAF COc1ccc(C=O)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1OC 587786620 MHMRFRZFBCANJP-UHFFFAOYSA-N 351.284 3.473 0 1 FGAF O=C(O)CCN(CCc1nc2ccc(F)c(F)c2[nH]1)Cc1ccccc1 587194062 ZAGIUZSJVJWYTG-UHFFFAOYSA-N 359.376 3.361 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c(C(=O)O)c(C)c41)[C@@H](C2)C3=O 587438161 MTDLXEJMXSIKEE-YUNKPMOVSA-N 353.374 3.009 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCOCC3)s1)CC2=O 587493871 HBTMOELEOBGHJO-INIZCTEOSA-N 374.462 3.344 0 1 FGAF OCCc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120058 PDQNZCQSFCGGCS-UHFFFAOYSA-N 364.371 3.240 0 1 FGAF CC1(C)[C@H](C(=O)O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607925 IVNUJOPEJJODEO-PGICJIBASA-N 354.358 3.223 0 1 FGAF O=C(O)[C@@H]1CCCCC[C@@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963229843 QFSNXHSGWCQETC-GIWSNZPPSA-N 368.433 3.084 0 1 FGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc(Cl)s2)N1 963001590 ZKLYKOHKYZDXOU-CPCISQLKSA-N 365.188 3.416 0 1 FGAF CC1(C)CN[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cc3c(cc21)OCO3 963391072 PKISCOAILHUEQQ-LJQANCHMSA-N 356.809 3.145 0 1 FGAF Fc1ccc(-c2csc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)cn1 220720386 WOBDDEOMHCGDRB-INIZCTEOSA-N 355.442 3.474 0 1 FGAF Clc1ccc(CCNc2cc(-c3ccccn3)nc3ncnn23)cc1 1772626594 JVMVGEOPERTSCP-UHFFFAOYSA-N 350.813 3.494 0 1 FGAF CSc1ccc([C@@H](O)C2=C3C=C[C@@H]4C[C@@]3(OC2=O)[C@H]2CCCCN42)cc1 1772636118 PSNCGIBYJREAEI-QTRJSKNGSA-N 369.486 3.231 0 1 FGAF COc1c2c(cc3oc(C)cc(=O)c13)OC(C)(C)[C@H](OC(=O)C(C)C)C2 15266975 YLXXSWJDIFLXSG-MRXNPFEDSA-N 360.406 3.391 0 1 FGAF biogenic O=N[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 169712053 DAVXPKZMOAKGGT-QGZVFWFLSA-N 361.396 3.165 0 1 FGAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](C(F)(F)F)CC3)c(=O)c2c1 1857542991 MGRWIWUIPXJPPB-UMSPYCQHSA-N 369.343 3.354 0 1 FGAF CC1(CNc2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)N=N1 1857751277 ZZTADBGFKOIHHV-UHFFFAOYSA-N 367.722 3.456 0 1 FGAF COc1cc2sn(CCN3CC4CCC(CC4)C3)c(=O)c2cc1OC 6017891 ZRJIHFGIUAHKOD-UHFFFAOYSA-N 362.495 3.202 0 1 FGAF N[C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1 6018580 ZERQUADNLKJZLR-CMKODMSKSA-N 356.853 3.259 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356288294 ADWMXPCOUMDECN-IPJJNNNSSA-N 372.509 3.042 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)O 100399289 CIMMACURCPXICP-RQLYALPKSA-N 354.487 3.475 0 1 FGAF O[C@H](c1cccc(Cl)c1)[C@](O)(Cn1cncn1)c1cccc(Cl)c1 26008797 CPVMOXCTWBWUSP-SJORKVTESA-N 364.232 3.206 0 1 FGAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccc(O)cc2)O3)S1 26957079 FWRGMNJCWPVFBZ-FUHWJXTLSA-N 369.442 3.223 0 1 FGAF COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1 6411536 SQOMVBRIXCJFKW-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic CC[C@@H](C)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12 73224697 DDQDNVAOXUMCPB-GFCCVEGCSA-N 353.470 3.291 0 1 FGAF C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H](O5)C1=O 40646077 BIZMIUGITFUEIN-RYLVMJBMSA-N 353.462 3.047 0 1 FGAF O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142687401 BXKBSYPXFFPMHD-UHFFFAOYSA-N 353.353 3.347 0 1 FGAF CS(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1cccc(Cl)c1 95558605 RCDWAEAZTLYVHF-MRXNPFEDSA-N 364.854 3.060 0 1 FGAF C[C@]1(O)CC[C@H](N(C(=O)c2cccc(N3CCCCC3)n2)C2CC2)CC1 299859205 FLHXPCNIEHEJGM-CYWCHRQTSA-N 357.498 3.370 0 1 FGAF CCOC(=O)CC[C@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587522842 IHCUPCPQGKTFGI-OAQYLSRUSA-N 374.433 3.478 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 586931055 TVWPKGFZSHHYFN-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF CCO[C@H](C)c1ccc([C@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433973 YJJGBTGXDZOWQC-XJDIIYGHSA-N 367.445 3.394 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cn1ccnc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426198 AGIRQRWLQRSFJJ-UWJYYQICSA-N 364.376 3.374 0 1 FGAF CC(=O)N[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340925 WDGTZFUNIXERDT-ZUNHGIIWSA-N 357.381 3.174 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2n1 587109680 RZMUPOGVOBJBCZ-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586963060 JDUOBKWLKWVFMO-AWEZNQCLSA-N 371.466 3.312 0 1 FGAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1OC 587810307 KMBHVFFGQLUIRQ-VWCIDIOQSA-N 358.251 3.142 0 1 FGAF COC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 587006378 MHHCOSGAVWMZMH-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF COc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cn1 587060596 KCJNKYOJFKYZGB-UHFFFAOYSA-N 352.785 3.156 0 1 FGAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 586966604 LDTJKVGGAIGJTA-UHFFFAOYSA-N 360.292 3.214 0 1 FGAF COC(=O)/C=C/c1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401857 ZFDUJDWSSLCGGQ-MJICGBHWSA-N 353.374 3.176 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(F)cn1 587867529 IEMZKJCEKMOYHT-UHFFFAOYSA-N 366.274 3.195 0 1 FGAF CN(C)CCOc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034482 GPHHOFQKFFGBBS-KRWDZBQOSA-N 357.479 3.421 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C(O)O)CC2=O 587460042 FEZLEVSVDUFZIL-IBGZPJMESA-N 362.809 3.170 0 1 FGAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587934044 AIHAHFFLQDDUGA-WLRWDXFRSA-N 351.406 3.293 0 1 FGAF C[C@H](c1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1)N(C)C 962931743 PEFUUJONONZCNJ-VFNWGFHPSA-N 351.494 3.246 0 1 FGAF CCOC(=O)c1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c[nH]1 962635833 UWOBQVDVLNJEHS-SGTLLEGYSA-N 358.438 3.174 0 1 FGAF CCn1ncc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962638116 KJSKGTSUUBARQY-SIKLNZKXSA-N 359.477 3.134 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ncc12 1772589907 ZAUGNPXUHCZFDH-RDJZCZTQSA-N 367.409 3.008 0 1 FGAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1F 13607616 BQNZPWGLMFRZRQ-CQSZACIVSA-N 373.453 3.402 0 1 FGAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@@H]1c1cnc[nH]1 201792548 YVQZXFQGNDBOKU-GOSISDBHSA-N 368.462 3.388 0 1 FGAF Cc1cc(Cl)ccc1Oc1ncccc1-c1n[nH]c(S(C)(=O)=O)n1 1857637957 GHQUQMLVRGOSKD-UHFFFAOYSA-N 364.814 3.024 0 1 FGAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4ccccc4F)c3c2)C1 1857745573 GRVCUTZSHYRYAL-OLZOCXBDSA-N 367.428 3.324 0 1 FGAF C[C@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857762634 FGWHERIFLCVYLT-SWLSCSKDSA-N 373.403 3.237 0 1 FGAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccncc4)C3)C2)cc1 3955932 RNTLPBWZNDOCLV-NRFANRHFSA-N 351.450 3.223 0 1 FGAF COc1ccc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1OC 2356386979 CSKOHFAJPKLSBP-OAHLLOKOSA-N 368.385 3.232 0 1 FGAF CC[C@H](C)C[C@@H](C)C(=O)O[C@]1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O 2356343574 SGMQQYJUDLVNTG-QQKBFRNYSA-N 361.394 3.249 0 1 FGAF COC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN21 6750021 IYKWYKHDSMQJFW-QGZVFWFLSA-N 354.381 3.128 0 1 FGAF COC(=O)c1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103532527 MGBDWDSSRBVRNG-HNNXBMFYSA-N 352.394 3.372 0 1 FGAF Clc1ccc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 114576226 QXUMUVOKKODEOL-ZDUSSCGKSA-N 360.870 3.202 0 1 FGAF Cc1ccoc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 116822037 CHFJTTMZRPWKGR-BETUJISGSA-N 365.355 3.210 0 1 FGAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@H]1[C@@H](C(=O)O)C[C@](C)(O)C[C@@H]12 2356425900 MSGBRRFYWMOJJU-BTYBEWSKSA-N 362.422 3.162 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@H]2CN(CCc3c[nH]c4ccccc34)CC[C@@H]12 2356668372 NYNOIMNCLKTWCG-ZTFGCOKTSA-N 354.450 3.124 0 1 FGAF CCOC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 210832302 PSZBVAJZXDPBHP-SXRDFINZSA-N 356.438 3.052 0 1 FGAF C=CCC1=C[C@@](OC)([C@@H](C)C(=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15212910 WYVJMGLRFFOZES-YEJXKQKISA-N 370.401 3.235 0 1 FGAF biogenic Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@@H](C)c3ccco3)n2)cc1 199403196 ZZCQZJKLOBOCLN-HNNXBMFYSA-N 351.406 3.031 0 3 FGAF CC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40864392 QCWIIINNGDMPMR-UHFFFAOYSA-N 355.419 3.182 0 1 FGAF CCC(=O)N1CCc2cc(-c3coc(NC(=O)c4ccco4)n3)ccc21 95755344 ONQJVSBRCJSOAI-UHFFFAOYSA-N 351.362 3.486 0 1 FGAF c1ccc([C@@H]2CN(c3cccc(-c4n[nH]c5ncccc45)n3)CCN2)cc1 95584253 FNLZNOBAYWDBFQ-SFHVURJKSA-N 356.433 3.171 0 1 FGAF O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F 95590352 PUJBAKCTNFPEDJ-UHFFFAOYSA-N 360.719 3.155 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3ncnc32)[C@H]1c1ccc(F)cc1 587346088 LDPJHYVHKVYQMT-PXNSSMCTSA-N 363.348 3.252 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCC(O)CC1 587237530 SDXRAFZQVQORKO-UHFFFAOYSA-N 371.441 3.094 0 1 FGAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C 587759306 ZYDZXXDWFAVALO-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425942 IOPBEYNHDBRPDC-RNODOKPDSA-N 374.339 3.481 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587233288 LNINWCKTQWPLDY-VHSXEESVSA-N 357.414 3.306 0 1 FGAF NC(=O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511415 PUJJWERTZGNWKU-LJQANCHMSA-N 351.402 3.136 0 1 FGAF COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587441055 IZRSUXYEFWTGBE-QVKFZJNVSA-N 370.401 3.218 0 1 FGAF C[C@@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175024 VMJVDMAZWXJMLF-QAPCUYQASA-N 354.341 3.054 0 1 FGAF O=C(Cc1ccccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659901 JCCJLBHQFXVBCH-UHFFFAOYSA-N 359.360 3.481 0 1 FGAF O=C1CC[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1 586989405 HTKGARSNXGMFSB-HSZRJFAPSA-N 370.408 3.289 0 1 FGAF Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1-c1ccc2c(O)nc(O)nc2n1 587555456 OAEDLZXFQYYBJV-UHFFFAOYSA-N 356.382 3.003 0 1 FGAF CCO/C=C(\C(=O)OCC)[C@@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382657 NJJVGXDPXOUVCA-ZPHJMFTNSA-N 369.364 3.030 0 1 FGAF COC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1OC 587084095 GCUKFNAPJGXADS-UHFFFAOYSA-N 357.797 3.486 0 1 FGAF CC(C)Cn1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962960465 GMLCQYCTNNYNLN-XJKSGUPXSA-N 369.799 3.159 0 1 FGAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962932507 QIUQXZWJVJDXND-JOCHJYFZSA-N 374.488 3.426 0 1 FGAF CC1=CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)C)c1O 1772602652 QZJPRXQVLPKGFL-LBPRGKRZSA-N 372.874 3.458 0 1 FGAF COc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1 13521954 YFYUEDBDPOAUSC-UHFFFAOYSA-N 355.375 3.018 0 1 FGAF CCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681946 ZQUXDOJBDFPTDM-IZSGYEDXSA-N 357.494 3.362 0 1 FGAF Cc1cccc(N2CCN(CCCCN3CSC(C)(C)C3=O)CC2)c1 13759356 SKMMUQAPKODBNV-UHFFFAOYSA-N 361.555 3.209 0 1 FGAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccccn2)C(C)C)cc1 1857560127 VQWXCMFJIOFGEM-UHFFFAOYSA-N 369.465 3.289 0 1 FGAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nn(C)c2N)cc1 1857651731 UTAWGMNNLGIBAW-UHFFFAOYSA-N 369.421 3.371 0 1 FGAF c1ccc(-c2nc3c4ccccc4nc(NCCN4CCCC4)n3n2)cc1 6805408 GCXFNTTZGRNFFJ-UHFFFAOYSA-N 358.449 3.452 0 1 FGAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)Nc1ccc(Cl)cn1 26574218 CEVLDRPYJHBVNW-CQSZACIVSA-N 363.870 3.196 0 1 FGAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 26817436 VCEHMGKRQOWBCE-PJCCXHTNSA-N 361.394 3.212 0 1 FGAF CO[C@@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC 28571111 ZIGZMEZHXMZEPZ-OWQNAKTJSA-N 356.418 3.271 0 1 FGAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H](CO)Cc1ccc(O)cc1 27980207 ATRMIGVAAPIRJO-MRXNPFEDSA-N 360.417 3.162 0 1 FGAF CC(C)N(C1=NCCN1)c1c(Br)cccc1Br 28227779 FTHCOIGNFCWMBA-UHFFFAOYSA-N 361.081 3.386 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C/Br)c1)N2 101108895 HRJQWACHSNEZEE-XLZHBIPXSA-N 350.256 3.449 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(Cl)ccc4C)C[C@@H]3C2)n1 116824017 QNQQLAMJADYLTH-HZPDHXFCSA-N 370.884 3.264 0 1 FGAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCN)c1ccccc1 36184679 VZJZHIKRRFMIGO-FQEVSTJZSA-N 372.419 3.348 0 1 FGAF COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc1 504650739 CYXMUWWIWZLKKK-VQIMIIECSA-N 368.481 3.080 0 1 FGAF biogenic Cc1cccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)c1 72103151 MXLIPYMNBFRWCD-UHFFFAOYSA-N 351.406 3.201 0 1 FGAF COC1CCC([C@H](C)Nc2nc(N3CCSCC3)ncc2C)CC1 82202614 GWPQRGHHUBQQMV-FHERZECASA-N 350.532 3.344 0 1 FGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(O)cc3)C[C@H]1C=N2 49802397 DFUDQRSOIBWBOH-AWEZNQCLSA-N 350.374 3.381 0 1 FGAF Cc1ccsc1/C=C/C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 95580382 DIPCYWZEQFODFH-BLCVROGKSA-N 367.518 3.286 0 1 FGAF CCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO 95877996 CCINGVMSXCWVJW-PIPMEXSNSA-N 350.462 3.464 0 1 FGAF CCOc1ccc2c(c1)n(O)c(-c1nc3ccccc3s1)c(N)[n+]2=O 377840459 SNCDSYPXYVSBJF-UHFFFAOYSA-N 355.399 3.051 0 1 FGAF COc1ccc(-c2cc(N)ccc2C)cc1S(=O)(=O)NC1CCCC1 473116722 XMLNYPPUQYOXQA-UHFFFAOYSA-N 360.479 3.474 0 1 FGAF CCN1C(=O)C[C@@H](c2nc3cc[nH]c(=N)c3[nH]2)[C@@H]1c1ccccc1Cl 587061954 QBKLKWUQDGKZKL-BZNIZROVSA-N 355.829 3.101 0 1 FGAF N=c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c[nH]1 587116094 NGFNIHNKFRPDOM-UHFFFAOYSA-N 358.121 3.214 0 1 FGAF COc1ccc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587378066 RYGRPWGRSGIUBZ-ZDUSSCGKSA-N 363.211 3.450 0 1 FGAF Cc1nc(C2CC2)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587013231 ZYKICSILEHOZOW-UHFFFAOYSA-N 362.480 3.123 0 1 FGAF O=C(Cc1nc2c(F)cnc(Br)c2[nH]1)OCc1ccccc1 587782721 XDCZFDHMIGOAEH-UHFFFAOYSA-N 364.174 3.145 0 1 FGAF c1cnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970400 ZFIGFYIFJPXXOP-UHFFFAOYSA-N 353.363 3.029 0 1 FGAF CCN1CCN(c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587398084 DZTKCYWVVVRIFZ-OAQYLSRUSA-N 365.477 3.426 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2N)N1 587746128 LLYPZOQKOHQUBX-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF CCOC(=O)C[C@@H](C(=O)OCC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522238 GLDHTPKHYGAKSS-AEFFLSMTSA-N 374.433 3.032 0 1 FGAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587933043 TUMFUGUNYCBQLQ-AUUYWEPGSA-N 356.447 3.420 0 1 FGAF COC(=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354129 UDTQEEGFFIYKAF-FXAWDEMLSA-N 358.365 3.458 0 1 FGAF O=C1C[C@H](Cc2nc3cnccc3[nH]2)c2c(Br)cccc2O1 587003003 IVGVLMMAUIRLBD-VIFPVBQESA-N 358.195 3.356 0 1 FGAF COc1cc([C@H]2NCC(C)(C)c3ccc4c(c32)OCO4)cc(OC)c1OC 963390883 ODAQMNVUOSHXRT-GOSISDBHSA-N 371.433 3.411 0 1 FGAF O=C(N[C@H](CO)c1ccccc1)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1 1772586714 JBAFISIOKGNSRP-MRXNPFEDSA-N 373.359 3.142 0 1 FGAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 19901265 DHMPJIFRFGHPSP-QGZVFWFLSA-N 358.463 3.415 0 1 FGAF O=C(NC[C@H]1CCCCN1)c1cc(Cl)ccc1OCC(F)(F)F 169329192 KUYMGCQUHMFDDI-LLVKDONJSA-N 350.768 3.153 0 1 FGAF OCC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCC1 204418896 RLPWCKYKLXSLBV-UHFFFAOYSA-N 351.372 3.415 0 1 FGAF CO[C@@H]1C[C@@H]2[C@H]3CCC(=O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 2356332597 GLJYOQVDANSTQF-SPKOEKTOSA-N 352.386 3.115 0 1 FGAF O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccc(F)cc1 4238542 QKGDWQCLWRCJID-UHFFFAOYSA-N 368.318 3.319 0 1 FGAF N=C(N)c1cccc(OCCCCCCOc2cccc(C(=N)N)c2)c1 6092493 VHMMXGSRKCGGJH-UHFFFAOYSA-N 354.454 3.273 0 1 FGAF CCc1nc(SC)ncc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 6900305 HHEUMDALROOJFP-UHFFFAOYSA-N 370.522 3.340 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 100395260 BHMBVRSPMRCCGG-BZRWIFSCSA-N 352.471 3.251 0 1 FGAF C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102373839 RECFXVBFQRDZOD-SFTQSGBHSA-N 351.830 3.143 0 1 FGAF Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 29214187 CHWPBJGBIHYIDJ-QUCCMNQESA-N 370.518 3.377 0 1 FGAF COc1ccc2c(c1)CO[C@H]([C@H](O)COC(C)=O)[C@H]2/C=C/c1ccccc1 36381852 SJSXQTNSJYDUCV-GZTDZCPESA-N 368.429 3.315 0 3 FGAF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@@H](C3)N1C 14417366 XFPCHWBAIJUKFN-FCXXMXSZSA-N 366.461 3.224 0 1 FGAF biogenic O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2cnccc2N1 45368437 VCKGXGZVFOOGNC-UHFFFAOYSA-N 353.769 3.136 0 1 FGAF COc1ccc(F)c(Cl)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 224871290 WOWULVZMWDEPKC-UHFFFAOYSA-N 362.792 3.263 0 1 FGAF CCCCOc1ccc2cc(S(=O)(=O)NCCCC(=O)O)ccc2c1 40862630 ATPMICVCHCVRPB-UHFFFAOYSA-N 365.451 3.162 0 1 FGAF CO[C@H]1CCCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)C1 225574584 IXEGROFEYMCIIY-HNNXBMFYSA-N 367.453 3.422 0 1 FGAF CN1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95877048 DFXXWLCMZUFDSQ-FSSWDIPSSA-N 354.469 3.347 0 1 FGAF COc1ccc([C@@H]2C=C(C(=O)O)O[C@H](OCc3ccc(CO)cc3)C2)cc1 95784642 RFXNVLVMSLCBFH-XLIONFOSSA-N 370.401 3.203 0 1 FGAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232695 MYZTYURKBSIFRA-WBVHZDCISA-N 360.413 3.368 0 1 FGAF biogenic O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccccc12 95566041 NIKVIVFSQPETQR-UHFFFAOYSA-N 362.477 3.247 0 1 FGAF COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(C)cc1-2 95571825 UTTGXPVVBGLFJJ-UHFFFAOYSA-N 354.431 3.027 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)NCc3ccc(F)cc3)coc2c1 95592746 VRBLLXOIVPJYCL-RUDMXATFSA-N 353.349 3.270 0 1 FGAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(O[C@H]3CCOC3)cn2)cc1 96167486 HAMNIEOBTDALEA-YWZLYKJASA-N 370.449 3.499 0 1 FGAF CCCCCc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1 299823957 AAZAAXDFAJKPGR-UHFFFAOYSA-N 370.478 3.314 0 1 FGAF COC(=O)Nc1nc2cc(S(=O)(=O)c3c[nH]c4ccccc34)ccc2[nH]1 299824737 LSMFUIFRBXYJFD-UHFFFAOYSA-N 370.390 3.055 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2CNC=O)N1 587743082 NUKPFRADZSRXHZ-CJBNDPTMSA-N 369.278 3.254 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)OCc3ccccc3)C1)O2 587400354 QXRLMSOSJBJBRV-UHFFFAOYSA-N 351.402 3.435 0 1 FGAF CCOC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742951 VDUODZSFRMKOMH-ZBVHDKTDSA-N 373.222 3.036 0 1 FGAF NC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133645 XKVLJHGAEMNPME-UHFFFAOYSA-N 352.152 3.339 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)cc1C(=O)O 587870597 DWQGXTXTMURZKE-UHFFFAOYSA-N 362.748 3.219 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(C)(=O)=O)c(F)c1)O2 587386721 WMSHJRYZLDTJCC-SFHVURJKSA-N 363.410 3.000 0 1 FGAF O=C(c1cc(-c2cccs2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587654561 ULESZHRZWIPLAG-UHFFFAOYSA-N 356.794 3.190 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCN(C)CC3)cc1)O2 587400075 OYTNLGSSDUFCJL-QFIPXVFZSA-N 365.477 3.210 0 1 FGAF COc1nccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587126566 YMUBOVREGYMGHT-GMSGAONNSA-N 352.320 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(CCNC(C)=O)cc1)[C@@H](C2)C3=O 587428151 HYNKGHZWQIMTNJ-PGRDOPGGSA-N 365.429 3.037 0 1 FGAF CCOC(=O)[C@@H](c1ccccc1)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440265 FSIYXKGJEVYRHR-MOXGXCLJSA-N 352.386 3.158 0 1 FGAF COC(=O)c1cccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c12 587786665 JVTIYLQLIJETHR-UHFFFAOYSA-N 352.390 3.482 0 1 FGAF Cc1cccnc1-n1cccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963019093 DPNQSQDCQGGVSA-YCRPNKLZSA-N 358.445 3.323 0 1 FGAF COc1cccc2c1C[C@@]1(CO2)NCCc2cnc3c(OC)cccc3c21 963028028 BHXMQZXFZDIMSP-QFIPXVFZSA-N 362.429 3.228 0 1 FGAF CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 13864520 ICXQTQDYWSHSOZ-UHFFFAOYSA-N 356.451 3.060 0 1 FGAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C(C)C)N2CC2CCCC2)cc1 169721157 FGJFHAXXXSPFQQ-CTNGQTDRSA-O 356.534 3.108 0 1 FGAF C[C@H]1CCCC[C@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O 169729819 OKRJNIRAWNQLAR-XJKSGUPXSA-N 362.857 3.363 0 1 FGAF C[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857762633 FGWHERIFLCVYLT-IUODEOHRSA-N 373.403 3.237 0 1 FGAF O=C(NC[C@@H]1CCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911576827 QIJHQFDCIITVAM-NSHDSACASA-N 357.360 3.274 0 1 FGAF CCCCNC(=O)c1onc(CSc2ccc(OC)cc2)c1C(=O)O 8691321 JTLJKHOFNIRGBT-UHFFFAOYSA-N 364.423 3.204 0 3 FGAF COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Br)cc1 103218295 ZXHKDFVCNGRCND-SECBINFHSA-N 367.132 3.203 0 1 FGAF CC(=O)Nc1ccc(CNC[C@@H]2COCc3nc4c(C)cccc4n32)cc1 2356301819 GDMAXTHQPVPHML-GOSISDBHSA-N 364.449 3.164 0 1 FGAF O=C(O)C(=O)Nc1nc(-c2conc2-c2c(F)cccc2Cl)cs1 27654469 MNHLTDKEJCPGDE-UHFFFAOYSA-N 367.745 3.281 0 1 FGAF CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 27099932 MENXCQCGNJVFRP-FQEVSTJZSA-N 353.853 3.472 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356657014 QWSTXDYLWYYYTH-AGURSJMDSA-N 355.482 3.348 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@H](CO2)Oc2c(ccc3occc23)[C@@H]1O 15150790 ZVEDKPGZOXEGTK-OTWHNJEPSA-N 354.358 3.421 0 1 FGAF biogenic O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccccc1 220239864 YBVDHQXUYWRMHU-UHFFFAOYSA-N 373.459 3.474 0 1 FGAF OCCCCOc1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143509186 OLWOQNGODBKIIO-SFHVURJKSA-N 368.351 3.109 0 1 FGAF CC1(C)C=Cc2cc([C@H]3COc4cc(O)cc(O)c4C3=O)cc(O)c2O1 238756296 GENFCVZSDBHEJM-CYBMUJFWSA-N 354.358 3.347 0 1 FGAF COc1ccc([C@H]2NC(=S)Nc3c2c(=O)oc2ccc(C)cc32)cc1 96931720 GAPKKAXWGRRYLR-MRXNPFEDSA-N 352.415 3.499 0 1 FGAF NC(=O)O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 95579039 LAWPPIQNECCPAI-LJQANCHMSA-N 357.429 3.174 0 1 FGAF Cc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377605789 FURVGTBPFJSHRC-XIKOKIGWSA-N 371.804 3.321 0 1 FGAF CCCN1C(=O)N(c2ccccc2CC)C(=O)[C@@]12OC(=O)c1ccccc12 653847634 GGNZZKQMVDODIV-OAQYLSRUSA-N 364.401 3.451 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccccn1)CC2=O 587485614 JEZJGNOTFIWODW-FQEVSTJZSA-N 355.390 3.164 0 1 FGAF CN(Cc1nc2ccc3ncccc3c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169682 HNYSUDOFRQJDMU-UHFFFAOYSA-N 370.409 3.071 0 1 FGAF CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429471 UVRATVITOAETHY-FOIQADDNSA-N 356.349 3.040 0 1 FGAF CS(=O)(=O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532947 RFEBYAIYUHGMRM-LJQANCHMSA-N 372.442 3.381 0 1 FGAF COC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588123 PFCBUJHTMNRODV-NQIIRXRSSA-N 363.369 3.291 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cn1 587246716 FFVWCQJEPAEHSO-UHFFFAOYSA-N 356.357 3.447 0 1 FGAF CS(=O)(=O)/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586923408 KNRQFBHMWBVEEJ-PLNGDYQASA-N 369.162 3.360 0 1 FGAF CN(Cc1nc2ccnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928456 ADOTYPALMPWHIP-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF Cc1c(Br)ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586923967 BZENIACONBCCRS-UHFFFAOYSA-N 357.273 3.491 0 1 FGAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587155994 PQNKMANGJDRIHQ-AWEZNQCLSA-N 350.371 3.479 0 1 FGAF CCOC(=O)[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O 587526220 SGOYCPGDFTUTFA-UWJYYQICSA-N 358.434 3.448 0 1 FGAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(=N)[nH]cc2[nH]1 586981471 PPMGRXLVQGCAME-UHFFFAOYSA-N 369.226 3.294 0 1 FGAF O[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCOCC1 586914312 ZLSIDIBUOAGMHF-NSHDSACASA-N 351.275 3.072 0 1 FGAF CC(=O)N[C@H](C)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953619 JUBZYKIFHILODR-PXAZEXFGSA-N 370.415 3.097 0 1 FGAF O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1cccc(Cl)c1 12479100 VRVIMXRLWTWFEY-SFHVURJKSA-N 365.882 3.113 0 3 FGAF CS(=O)(=O)Nc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1 205460167 UKIGYIOLELFRSV-UHFFFAOYSA-N 370.459 3.465 0 1 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccccc2)cc1 205385876 LCTFOEQZLXFUCH-LJQANCHMSA-N 366.417 3.409 0 1 FGAF Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cn1 205730448 BUJJZKPLHCGSFJ-UHFFFAOYSA-N 373.405 3.380 0 1 FGAF CNc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205723039 NFHWBZUYHNSKBC-KRWDZBQOSA-N 365.216 3.448 0 1 FGAF NCCC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857557723 ARJQDCOWQUPBGI-QFIPXVFZSA-N 367.537 3.051 0 1 FGAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3cnn(C)c3)cc12 1857592510 VMVYVVDVGAEFPN-UHFFFAOYSA-N 351.454 3.004 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H]1CC[C@]31CCC(=O)O[C@@]1(C)[C@H]1CC(=O)[C@H]3CCC[C@H]3[C@H]12 2356439643 XWNUAACCLIULKG-ZUQCKXOFSA-N 357.494 3.186 0 1 FGAF Cc1ccc(CNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)cc1 6798263 KSWHXDMURZUPGU-MRXNPFEDSA-N 352.434 3.206 0 3 FGAF Nc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@@H]1CCc3ccccc3C1=N2 53246995 AECMDTLIMQWHQN-JKSUJKDBSA-N 356.433 3.491 0 1 FGAF CCc1nn(C)c(C(=O)N[C@@H](CO)c2ccc(C(C)(C)C)cc2)c1Cl 103173728 RAVIQIRWFFWWLW-HNNXBMFYSA-N 363.889 3.397 0 1 FGAF COc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nn1 28395383 XIQWODOTFMHWBH-UHFFFAOYSA-N 369.469 3.137 0 1 FGAF CC(=O)Oc1ccc2cc(-n3cc(-c4ccccc4)nn3)c(=O)oc2c1C 53296241 CLWOHAZJNJPNQD-UHFFFAOYSA-N 361.357 3.274 0 1 FGAF Cc1cc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)c(C)o1 23580746 CNGZVYFQFUOECC-UHFFFAOYSA-N 363.464 3.095 0 1 FGAF O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)c1 114594473 RLZARXOPLNNCSF-UHFFFAOYSA-N 360.416 3.309 0 1 FGAF C[C@@H](C(=O)N(C)C1CCCCC1)C1(O)CCN(Cc2ccccc2)CC1 27555518 IGVFGDGPHHDASQ-SFHVURJKSA-N 358.526 3.441 0 1 FGAF CCN(CC)C[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356746275 JEHHSBMABMVSQZ-NSHGMRRFSA-N 362.445 3.274 0 1 FGAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F 216241586 MTOFVXVDNHJZIU-UHFFFAOYSA-N 363.838 3.128 0 1 FGAF Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)[C@@H]2C(=N)ON=C2N)cc1 137934924 RYOIDDVLPVVOTD-AEFFLSMTSA-N 363.417 3.271 0 1 FGAF CCc1c(Cn2ccnc2-c2cc(F)ccc2C)ncn2nc(C)nc12 137988882 OQYSQSHFTRLINL-UHFFFAOYSA-N 350.401 3.354 0 1 FGAF NC(=O)CO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40575858 VSUSFMIDMQEMIQ-QHCPKHFHSA-N 372.424 3.046 0 1 FGAF C/C=C1/CN2CCc3c4n(c5ccc(OC)cc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42 238740714 GFMYHUGIUPTBGC-VYAGBHJKSA-N 352.434 3.243 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]cncc2-3)N1 587802194 KUBXKUNOZPUZRG-VXJOIVPMSA-N 361.218 3.435 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)n(C)n1 587863142 RXGQRTGYBHOWLN-UHFFFAOYSA-N 364.327 3.308 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(O)CC4)cc1)[C@@H](C2)C3=O 587440978 CHALOVSBONAWEH-AVRDEDQJSA-N 365.429 3.145 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587440361 YVAVFZQANDXCHK-XFHNUULXSA-N 373.449 3.458 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@H](C)C(N)=O)c1)CC2=O 587469643 JIPNEPQVJMSZLC-BLVKFPJESA-N 369.417 3.304 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc(Br)cs1)[C@@H](C2)C3=O 587453669 XZRJJDOSFCLOME-SDBXPKJASA-N 352.209 3.403 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccccn1)CC2=O 587485616 JEZJGNOTFIWODW-HXUWFJFHSA-N 355.390 3.164 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(NC(=O)OC)cc3)nc2c1 587245354 UQEVMNGBKSVMII-UHFFFAOYSA-N 359.407 3.202 0 1 FGAF CC[C@]1(c2cncn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574904 CQXZYYYUSVUMGN-FXAWDEMLSA-N 350.374 3.393 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCC1(C2)OCCO1 587612144 UOPGFQNIMAJWIT-XLIONFOSSA-N 368.385 3.410 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1nccn1C)[C@@H](C2)C3=O 587449092 DUARIRMHORQCKH-DJJJIMSYSA-N 352.415 3.181 0 1 FGAF NC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076516 MQMOVSOSDZZCMX-UHFFFAOYSA-N 367.796 3.150 0 1 FGAF Cc1cc(F)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 587127000 JZTSLFICUCEIQH-UHFFFAOYSA-N 359.304 3.366 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587256718 OXMMJUMDXMPPAY-SNVBAGLBSA-N 359.348 3.063 0 1 FGAF NC(=O)N1CCc2sccc2[C@@H]1C(=O)c1ccccc1Br 962701347 AOYRKMQIJUWCOV-CYBMUJFWSA-N 365.252 3.371 0 1 FGAF CC[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963474512 VILQHDTYDCUXBF-IFXJQAMLSA-N 365.351 3.370 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CC[C@@H]3C[C@H]32)c1O 1772582343 FCUJJUONMWBUFF-CKYFFXLPSA-N 372.874 3.148 0 1 FGAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21 169331822 ZYQVJKVDYJSBES-MRXNPFEDSA-N 357.429 3.131 0 1 FGAF O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 1857608577 UCYDPBRUQDHQIG-JTQLQIEISA-N 363.343 3.325 0 1 FGAF CCOC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(OC)cc1 1857618557 YKNWVPWZLWGEGB-SHQCLWGWSA-N 360.479 3.028 0 1 FGAF Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1C 4264343 XGMCWHZROLBAAC-UHFFFAOYSA-N 351.362 3.377 0 1 FGAF CCc1nn([C@@H](CC)C(=O)NC2CCCC2)c(=O)c2cc3oc(C)cc3n12 6821519 WCWMNXIAJQMFOU-AWEZNQCLSA-N 370.453 3.123 0 1 FGAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 100101424 ICRBBNHCOFLBDE-CEMFKGJOSA-N 368.502 3.157 0 1 FGAF CCCCS(=O)(=O)/C=C\[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1S(=O)(=O)CCCC 108544612 JXCBAZUXWWKMNG-MTCQQYDDSA-N 360.541 3.121 0 1 FGAF CSc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CN(C)C)n1-2 27318119 MWOSOLVEVSFAKQ-UHFFFAOYSA-N 363.490 3.402 0 1 FGAF CCNC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34801341 YJLVMNYHBPCQKV-KPICWTFHSA-N 358.526 3.378 0 1 FGAF COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 5966799 XTOKXEQMTBIOGT-AWEZNQCLSA-N 371.433 3.179 0 1 FGAF biogenic COC(CN(C)Cc1coc(-c2ccc(Br)cc2)n1)OC 72186476 LHXQRASPIZEEGK-UHFFFAOYSA-N 355.232 3.155 0 1 FGAF O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ncccc3n12 40901507 JIBITRQNBXVGNX-UHFFFAOYSA-N 360.421 3.173 0 1 FGAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2CCNC(C)=O 82186133 BNUMFSZPKGAARM-UHFFFAOYSA-N 366.469 3.232 0 1 FGAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O 85552393 QZIGLSSUDXBTLJ-IGKNDFSCSA-N 352.452 3.085 0 1 FGAF endogenous,world CCCc1c(O)ccc2c1OC1(CCN(C3CCN(C)CC3)CC1)CC2=O 587473965 CYCQQPTUYYLHDU-UHFFFAOYSA-N 372.509 3.239 0 1 FGAF O=S(=O)(O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107014 GTPRZSKNPPSNHU-UHFFFAOYSA-N 356.325 3.419 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)N(Cc3ccccc3)CC1)O2 587395765 OGXNHQKLYOPFMS-JOCHJYFZSA-N 364.445 3.494 0 1 FGAF COC(=O)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705712 NZKNSWVAPMHPRR-PWCHPLFNSA-N 370.140 3.053 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(O)c1 587656742 MEGNVBBBENYSNG-UHFFFAOYSA-N 351.312 3.432 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1N[C@@H]1c1ccccc1 587592840 HOBKURAGIIAXMJ-WEMPKCCASA-N 359.381 3.436 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccncn1)CC2=O 587492824 XSRWAHRMQDFHOL-NRFANRHFSA-N 361.401 3.439 0 1 FGAF Cc1cc(Br)cc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586924511 RFIPJHHNXQRUTI-UHFFFAOYSA-N 357.273 3.491 0 1 FGAF COC(=O)c1cc2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2cc1OC 587069969 NQYVNYAVEJUFSN-GFCCVEGCSA-N 373.840 3.297 0 1 FGAF CCN1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580871 FFXDYWQRLJYESZ-NQIIRXRSSA-N 353.418 3.454 0 1 FGAF C[C@H](OC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21)c1ccccc1 962902760 LWQPECZHGXCJLM-LTBCBRHQSA-N 371.408 3.334 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]c4cnc(Cl)cc34)c3cccc1c32 963029234 NDDDVWXAFLYVKG-APBUJDDRSA-N 352.825 3.359 0 1 FGAF CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2cccnc2)C1 1772607406 IMLLQTJDJJVPOT-UHFFFAOYSA-N 361.449 3.283 0 1 FGAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn([C@@H]3CCOC3)c3ccccc13)C2 1772582703 YECORENGOXWWDS-HRCADAONSA-N 354.450 3.385 0 1 FGAF Cc1cc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3Cl)o2)no1 12074735 LQDLEYGLMORIOI-NSHDSACASA-N 360.801 3.496 0 3 FGAF COC(=O)[C@@H](NC(=O)c1cc2ccccc2n1CCCCCO)C(C)(C)C 1857605674 BTHFVMKZHMSDFT-GOSISDBHSA-N 374.481 3.121 0 1 FGAF Cc1cc(C)cc(Oc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1 1857619740 BZMZFEYXDNNUMG-UHFFFAOYSA-N 364.453 3.377 0 1 FGAF COc1cc(C(=O)c2cnn(-c3ccc(C)cc3)c2)cc(OC)c1OC 1857765877 UUGSAUAJIWLFNJ-UHFFFAOYSA-N 352.390 3.438 0 1 FGAF O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(C(F)(F)F)nc1 35825556 BOKYUDWOKDWQNZ-UHFFFAOYSA-N 353.325 3.455 0 1 FGAF CC[C@]12CCN[C@@H]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 2356313815 CRQDDRSQYNCCIV-BFXATMPCSA-N 370.493 3.336 0 1 FGAF COc1ccc(-n2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)cc1 4238876 RPUBGEFHMGCQRH-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC(F)F 103539093 OZAWNLUIABWLHM-NXXVSJRMSA-N 350.325 3.381 0 1 FGAF CCN(CC)CNC[C@@H]1CN=C(c2ccccc2F)c2ccccc2N1C 27519643 OEQQDJHWZBJNEH-QGZVFWFLSA-N 368.500 3.370 0 1 FGAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1 29568488 IBGFIBLQTNLWCF-UHFFFAOYSA-N 356.374 3.189 0 1 FGAF COc1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2OC)[nH]n1 61908872 XYTRSAGGWDXPLQ-UHFFFAOYSA-N 355.369 3.163 0 3 FGAF O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 28520820 YNIWFAUXDPPAPK-ZIAGYGMSSA-N 364.854 3.005 0 1 FGAF COc1cccc2c1O[C@@H](CNCCc1c[nH]c3ccc(F)cc13)CN2 28571237 BTAAVEHAAOAINP-HNNXBMFYSA-N 355.413 3.321 0 1 FGAF O=C1CN=C(c2ccccc2Cl)c2cc(F)ccc2N1C1CCNCC1 27761326 GSWFUCXCYOXRJV-UHFFFAOYSA-N 371.843 3.415 0 1 FGAF CN(C)c1ccc(C(=O)NCCC/C=C/C(=O)Nc2ccccc2N)cc1 117581571 SXVJQKHIAKDHRL-ONNFQVAWSA-N 366.465 3.040 0 1 FGAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CCO)cc2)cc1 73222468 LKSOUSYVEIFFAF-QGZVFWFLSA-N 373.518 3.146 0 1 FGAF COc1cc2c(Oc3ccc4ccc(=O)oc4c3)cc(=O)oc2cc1O 14559334 WRAJRUDKCRWIDN-UHFFFAOYSA-N 352.298 3.406 0 1 FGAF biogenic COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)cc1OC 40918263 AWNPYJYTFQDIKV-INIZCTEOSA-N 369.425 3.155 0 1 FGAF Cc1cnc(N2CCSCC2)nc1NCCCN(C)c1ccccc1 82202619 ZGOKBVXVJPIGTK-UHFFFAOYSA-N 357.527 3.277 0 1 FGAF CCCCS(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 40505483 YSMYBPWXFXRWHJ-UHFFFAOYSA-N 371.458 3.329 0 1 FGAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)[C@]2(O)C=CC[C@H]13)CC(=O)O 85842392 LHWMUEQBRSCHIX-TYWUSVEKSA-N 350.455 3.164 0 1 FGAF COc1ccc(CCN(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1OC 195768334 GOBAHDSZQSGFJC-TWGQIWQCSA-N 369.417 3.147 0 1 FGAF O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1 95565690 PFZDLRCVQSXJEB-UHFFFAOYSA-N 356.788 3.394 0 1 FGAF COc1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)cc2ccccc12 95600642 DFRSSMDWJJWEMR-UHFFFAOYSA-N 374.440 3.380 0 3 FGAF O=C(Oc1ccccn1)C(Br)(C(F)(F)F)C(F)(F)F 68573953 LYROASGAQFMKEY-UHFFFAOYSA-N 352.028 3.245 0 1 FGAF biogenic CCc1cnc(Oc2ccc(NC(=O)c3nccnc3N)cc2Cl)nc1 653853270 CRWVFWHKXFJMOJ-UHFFFAOYSA-N 370.800 3.109 0 1 FGAF C[C@H](Cc1nc(=O)c2cnc(-c3ccccc3Cl)n2[nH]1)C(F)(F)F 653693925 QGPNQDBSEBTSLY-MRVPVSSYSA-N 356.735 3.479 0 1 FGAF Cc1cc2cc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)ccc2o1 653668349 MHHNCDCLZXGRIA-UHFFFAOYSA-N 357.373 3.388 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(C)c3[nH]2)CC1 586952707 MJBZJAXTBNOZTF-UHFFFAOYSA-N 355.891 3.444 0 1 FGAF CCOC(=O)[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596915 PXBMSIMMZANEPK-APXLUKDGSA-N 356.374 3.312 0 1 FGAF Cc1[nH]c2c(C(=O)O)cccc2c1CCCN1C(=O)c2ccccc2C1=O 587637815 AKZYXAOBXYJXOM-UHFFFAOYSA-N 362.385 3.403 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573125 RQTVUECVZCDXRO-LAUBAEHRSA-N 369.417 3.273 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 586937277 XVKXNTDUJRHICT-UHFFFAOYSA-N 372.372 3.264 0 1 FGAF O=CNC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579499 OKMJBJGQKRWWDR-FIKMYACPSA-N 367.401 3.029 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(F)c(F)cc21 587470771 IPMNDIWNJDMKMH-LJQANCHMSA-N 359.328 3.436 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC1 587952929 YARHXIACENDGNP-IYXRBSQSSA-N 366.483 3.044 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cnccn3)c1)CC2=O 587477926 WCYLIIBWIPGUNP-KRWDZBQOSA-N 350.378 3.027 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c3oc(=N)[nH]c3c1)CC2=O 587468814 DSEAPUDULTVRFW-INIZCTEOSA-N 354.362 3.311 0 1 FGAF CCCCOc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br 587247319 PFGVBQTWWXJMCX-HNNXBMFYSA-N 354.248 3.079 0 1 FGAF COCCC[C@@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597604 QYYHDULTVRDTRB-XLIONFOSSA-N 358.390 3.166 0 1 FGAF Cc1c(Br)cnc2[nH]c(CCC(=O)c3ccc(N)cc3)nc12 587251927 RHLVETRGSKVQGH-UHFFFAOYSA-N 359.227 3.427 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397382 AJOVGWAKZCFKTA-ZGLRSVDFSA-N 358.438 3.168 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccn(CC)n1)CC2=O 587475300 LVBOFDLTVWPGSO-KONDSOJQSA-N 369.465 3.497 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCCC[C@@H](C(=O)O)C2)N1 963229847 QFSNXHSGWCQETC-MPKWNAGQSA-N 368.433 3.084 0 1 FGAF Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(-c2ccnn2C)c1 962906347 XUBPOYZQLDADNI-ICSRJNTNSA-N 365.408 3.223 0 1 FGAF COC1([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)CCCCC1 963240888 ZSHKSPPFIICMSB-QUCCMNQESA-N 354.450 3.398 0 1 FGAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccccc1-n1ccnn1)NCC3 963032141 HHDHHYFVEUMCFA-JOCHJYFZSA-N 371.444 3.233 0 1 FGAF Cc1cc(C)c(S(N)(=O)=O)cc1[C@]1(C)NCCc2cccc(Cl)c21 963391478 UMLGQJQFGNDSNI-SFHVURJKSA-N 364.898 3.013 0 1 FGAF CC[C@H](C)NC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C 5150897 TURQZOLZCFNILM-LBPRGKRZSA-N 353.470 3.358 0 1 FGAF O=C1C(=O)N([C@H](C(=O)NCc2ccccc2)C2CCCC2)c2ccccc21 206050206 AQFSGRPJVLGRFF-IBGZPJMESA-N 362.429 3.091 0 3 FGAF C=CC(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1C 206760392 ZEDVWMUPMKSMPT-UHFFFAOYSA-N 350.378 3.235 0 1 FGAF CC(C)[C@H]1Cn2nnc(-c3ccccc3)c2Cn2c3ccccc3c(=O)n21 203473856 FSNHPZHSROAKFB-GOSISDBHSA-N 359.433 3.321 0 3 FGAF Nc1ccc2oc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2c1 1857573682 LFUODYJQQZZUOJ-UHFFFAOYSA-N 356.813 3.026 0 1 FGAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1 1857646230 SVLSOTNRZIJTHB-UHFFFAOYSA-N 368.387 3.143 0 1 FGAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2 2356318786 ZAIMIRNXYDZXQJ-RDJZCZTQSA-N 355.482 3.343 0 1 FGAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C1=CC(=O)OC1 2356330965 SKSICACXKPDATJ-ANOQXSNISA-N 374.521 3.460 0 1 FGAF Cc1nc(-c2ncc3c(=NCc4ccc(Cl)cc4)cc[nH]c3c2O)n[nH]1 1911576205 YIMSHWZYBDGGQT-UHFFFAOYSA-N 366.812 3.116 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1 4238058 MRXDPAUIZIGPLW-UHFFFAOYSA-N 354.454 3.209 0 1 FGAF C[C@@H](NC(=O)CCCn1c(=O)c2cccn2c2cccnc21)c1ccccc1 6797493 VPWJDMPNZQSECK-MRXNPFEDSA-N 374.444 3.307 0 1 FGAF COC1=C(CC=C(C)C)[C@@H]2O[C@@H]3c4ccc(O)cc4OC[C@@]3(O)[C@H]2C=C1 2356386407 HUQUUOIUJGCTAS-VRXWPRPYSA-N 356.418 3.398 0 1 FGAF CSc1ncccc1C(=O)OCC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 102162388 LBCQHZZBHNPKDB-ORAYPTAESA-N 362.495 3.388 0 1 FGAF O[C@H](CNCCc1c[nH]c2ccccc12)COc1ccc2cccnc2c1 26185944 DANNCFJYGZHILE-GOSISDBHSA-N 361.445 3.288 0 1 FGAF COc1ccc(-c2oc(=O)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1 26827416 RRBIWOBCLAJSST-UHFFFAOYSA-N 357.362 3.336 0 1 FGAF COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@@H]([C@H](O)COC(C)=O)OC2 36381853 YOPICUNDABJXCT-KYCVBRGYSA-N 368.429 3.315 0 3 FGAF COc1ccccc1-c1ccc2ncnc(NCCN3CCOCC3)c2c1 33361838 BUKIMVPGUHWXQF-UHFFFAOYSA-N 364.449 3.050 0 1 FGAF COc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc1 34640956 PCIIJXPELZPHAW-LJQANCHMSA-N 362.385 3.499 0 1 FGAF NS(=O)(=O)c1ccc2[nH]cc(Cc3ccc(Br)cc3)c2c1 84722855 VGSXOSGCQRNYDE-UHFFFAOYSA-N 365.252 3.169 0 1 FGAF O=C(OB(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ncccc1O 195218965 XPCJUFNNZXNOGN-UHFFFAOYSA-N 372.016 3.057 0 1 FGAF CC(C)N(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)C1CC1 95871894 UOGLUUMSBILYFL-BHDDXSALSA-N 368.521 3.317 0 1 FGAF COc1cccc(CSc2nnc(Cn3nnc4ccccc43)o2)c1 96271744 PATYSBIJEBRZQW-UHFFFAOYSA-N 353.407 3.164 0 1 FGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@H]1CCC2=O 253665598 PGZGPYMGHNIKHG-UEFGCPDKSA-N 367.511 3.107 0 1 FGAF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@@H](C2)N(C)C[C@H]3O 31794345 ITVKPOQYPPYHQA-ZIAGYGMSSA-N 357.406 3.081 0 1 FGAF biogenic CN(C)S(=O)(=O)c1cccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174916 NYVQMELMGFGYJD-UHFFFAOYSA-N 372.425 3.024 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cnc3[nH]2)n1 586966320 FFEMWFVKHMRVSC-UHFFFAOYSA-N 355.345 3.327 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592221 JKNLOJQPRCUDOV-ZSOFBXJNSA-N 354.358 3.066 0 1 FGAF O=C1C[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CN1 586989425 ILXPIEWDYAUEBA-QHCPKHFHSA-N 370.408 3.147 0 1 FGAF O=Cc1ccc(OCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587566607 VRCYWTUDRDGKBI-UHFFFAOYSA-N 350.353 3.322 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCCCc1ccccc1 587650321 JMRKGTNOQVIKII-UHFFFAOYSA-N 370.474 3.242 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3CCOCC3)nc1)O2 587393781 MFBOIMVKEHZBLL-SFHVURJKSA-N 354.406 3.237 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1F)[C@@H](C2)C3=O 587425558 DYKHQPZHGDRYRE-ZUZCIYMTSA-N 364.170 3.481 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c[nH]c3ncccc13)CC2=O 587481773 HNCPAAZIBXTJJU-HXUWFJFHSA-N 366.373 3.166 0 1 FGAF Clc1cc(Cl)c2c(c1)[C@@H](c1cn(Cc3cccnc3)nn1)NCC2 963101850 FJFQHNJPTKAMGZ-KRWDZBQOSA-N 360.248 3.263 0 1 FGAF Cc1nc2c(O)c(Br)cc(Br)c2cc1C(=O)O 1857770234 QJPPWNGRSFZXPB-UHFFFAOYSA-N 360.989 3.472 0 1 FGAF COC(=O)Cc1ccc2c(c1)Sc1ccc(CC(=O)OC)cc1N2C 5549798 MFIZDNSYHGUUBM-UHFFFAOYSA-N 357.431 3.350 0 1 FGAF C[C@@H](C(=O)O)c1cc(/C=C/S(C)(=O)=O)cc(C(=O)c2ccccc2)c1 13438144 CXQJRDQDYLVXEL-MMQHEFTJSA-N 358.415 3.121 0 1 FGAF Cc1cccc(C(=O)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc2)c1 13760219 RFYOTUSBGCSEJO-KRWDZBQOSA-N 351.324 3.478 0 1 FGAF CC(C)CCNC(=O)CCn1ccc2ccc(Br)cc2c1=O 169353044 CAJGKIGLQVQLLY-UHFFFAOYSA-N 365.271 3.316 0 1 FGAF COC(=O)CC1(NC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)CCCCC1 1857581131 ZBENOAMZNQZUAJ-FCXRPNKRSA-N 371.433 3.367 0 1 FGAF COC(=O)CCC(=O)c1cnc2c(c1)[C@@]13C[C@H](C)C[C@@H](C2)[C@@H]1CCCN3 2356467058 AYWQLULMTJAHKZ-OAJLEGQYSA-N 356.466 3.015 0 1 FGAF CCCCC[C@H](O)C=CC1=C(CC=CCCCC(=O)O)C(=O)O[C@]1(C)O 2356529046 RAQOIYLDXSAKSS-YWZLYKJASA-N 366.454 3.247 0 1 FGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@@H](O)Cc3c(cc4occc4c3C)[C@@]12C 2356629694 NJHFGWBKMCKISA-YUVXSKOASA-N 372.461 3.399 0 1 FGAF O=C(NCCc1c[nH]c2ccccc12)C1=NCCc2c1[nH]c1ccccc21 13309767 PKCQXLNHCPGJBB-UHFFFAOYSA-N 356.429 3.353 0 1 FGAF biogenic Oc1ncnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587166652 YVLIMCFMSRQZBB-UHFFFAOYSA-N 366.381 3.165 0 1 FGAF NC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587332196 FNPJKUNUFKDEGF-QZIMMCEPSA-N 369.392 3.305 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cnn(C)c2)N1 587762115 XFRLRNCIQHZKBG-QLJPJBMISA-N 352.251 3.314 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)nc(N3CCCCC3)n1)O2 587401708 WOQPOXBPZBRVPI-SFHVURJKSA-N 352.438 3.372 0 1 FGAF C[C@]1(c2cc[nH]c(=N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340206 VJMXUXHEMSLJKJ-FXAWDEMLSA-N 365.364 3.008 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3o1)(C(O)O)CC2=O 587486165 XCJMQXOBGXUSHX-OAQYLSRUSA-N 368.385 3.262 0 1 FGAF Cc1nc(Br)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587011284 MUYWIPOWIHCABK-SNVBAGLBSA-N 352.217 3.481 0 1 FGAF NC(=O)c1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587132599 FGJWGMXWZJYMOM-UHFFFAOYSA-N 352.152 3.339 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092201 OBCQTWKSXNMHQK-UHFFFAOYSA-N 352.316 3.415 0 1 FGAF CC[C@@H]1OC=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587834760 SOQWNJIHYVOPGC-HCYDYPBKSA-N 354.219 3.209 0 1 FGAF C[C@@]1(c2nccnc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341427 YQRFHLFJSKIIFJ-OXJNMPFZSA-N 365.364 3.178 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccnc1F)CC2=O 587472011 OREVRUMSBJKVRY-HXUWFJFHSA-N 373.380 3.303 0 1 FGAF N=c1[nH]ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182321 HQZJLOYXWLIQDY-UHFFFAOYSA-N 370.581 3.295 0 1 FGAF O=C([C@H]1CCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656599 NVTRHTAHNQOUJG-MRXNPFEDSA-N 356.328 3.161 0 1 FGAF CN1C(=O)[C@H](NC(=O)c2cc3c(Cl)cccc3[nH]2)Cc2ccccc21 13587892 HSLSUYMECGEGSU-MRXNPFEDSA-N 353.809 3.139 0 1 FGAF CN1CC[C@]23c4c5ccc(NCc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 13813277 IYILOENZYSJADU-UPQYSNQFSA-N 374.484 3.105 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@H](C(C)C)N1C(=O)C(=O)c2ccccc21 206050381 PZXRDNYUXNZTQY-SFHVURJKSA-N 350.418 3.496 0 3 FGAF C[C@]1(c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)COCC(N)=N1 168201048 UQWORNKFBSCKMK-QGZVFWFLSA-N 351.397 3.053 0 1 FGAF Cc1ccc(NC(=S)N2CCN(C(=O)Cc3ccccc3)C[C@@H]2C)cc1 1857564215 QPGINYZTGDPRTK-KRWDZBQOSA-N 367.518 3.467 0 1 FGAF CN(C)Cc1cccn2c(-c3cc[nH]c(=N)n3)c(-c3ccc(F)cc3)nc12 1857582406 WBSSZAYTMJEHAK-UHFFFAOYSA-N 362.412 3.072 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@H](COC(=O)Nc3ccccc3)CN1CC2 104114706 KXDJOUNIDKLAMT-YWZLYKJASA-N 368.433 3.482 0 1 FGAF Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Nc3ccccc3)nc21 4239102 WGWKOLLQADIMIX-UHFFFAOYSA-N 365.343 3.412 0 1 FGAF aggregator Cc1ccc2nc3c(O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)ncc-3c2c1 103536705 RAISMWIMTRYFHV-GRDNDAEWSA-N 366.465 3.491 0 1 FGAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(C3CCCCC3)CCN21 2356303503 WYWCMRHIHZKSEH-GOSISDBHSA-N 373.516 3.379 0 1 FGAF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccccc1C(F)(F)F 28125734 AYXZUEYPGPRDIR-FZMZJTMJSA-N 372.391 3.060 0 1 FGAF COc1ccc(-c2noc(CC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 20516004 BJDPJMJHXGBEMV-HNNXBMFYSA-N 365.433 3.425 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 22001648 PJDMFGSFLLCCAO-FUTBITSXSA-N 368.514 3.131 0 1 FGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C[C@@H]2CC=CCC2)CC1 117377016 TVWRSURMNYXPIC-HZPDHXFCSA-N 367.493 3.123 0 1 FGAF CCOC(=O)c1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1OCC 28127572 KBNYAHIDLSFPOR-UHFFFAOYSA-N 356.382 3.062 0 1 FGAF Nc1ccc(/C=C(\C[P@@](=O)(O)[C@H](N)CC2CCCCC2)C(=O)O)cc1 27106491 HLFIMQPMHNUTJR-OBHPCNEJSA-N 366.398 3.262 0 1 FGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2O)CO3)O1 2356711806 AKUCLIKSMBKQIE-CYBMUJFWSA-N 354.358 3.347 0 1 FGAF COc1ccc(C=C(C(=O)O)C(=Cc2ccc(OC)cc2)C(=O)O)cc1 2356820933 FPUGPEJOUAEFPO-UHFFFAOYSA-N 354.358 3.340 0 1 FGAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cn1 71294538 ZWQSPUPMQMBACD-UHFFFAOYSA-N 367.424 3.228 0 1 FGAF Cn1cccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225055213 XTMNFOLZRDPVNP-UHFFFAOYSA-N 370.459 3.498 0 1 FGAF O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CC[C@H](N2CCCC2)C1 45374623 NUVVLNOBNYNPKB-FQEVSTJZSA-N 374.488 3.395 0 1 FGAF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@H]2CC[C@H]1N2C 253712576 WBVZUODNCPVLSS-DQEVTTJGSA-N 353.418 3.021 0 1 FGAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cccc(OC)c1OCC 621474143 AVIOVZLNYBRMAI-UMWKZLPKSA-N 350.440 3.290 0 1 FGAF Cc1nc2ccccc2n1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 653793698 XJMSMCPJXGVMCL-FGZHOGPDSA-N 360.461 3.311 0 1 FGAF Nc1cccc(O)c1-c1nc2ccc(I)cc2[nH]1 587249183 DEAZVMLIHZUURY-UHFFFAOYSA-N 351.147 3.122 0 1 FGAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587576715 KGDLCZBGJKDLLF-XLIONFOSSA-N 350.374 3.311 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 586931044 SOTMQQZYUJZQIF-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC13CN(C(=O)OC(C)(C)C)C3)O2 587401655 VNPUGAYFMXAHLY-HXUWFJFHSA-N 358.438 3.312 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3cc4c(cc3[nH]2)OCCCO4)n1 587117582 DTVNQZUGPWMFHW-UHFFFAOYSA-N 352.316 3.182 0 1 FGAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c21 587030510 GCBMWZXUZYXVEA-SECBINFHSA-N 366.450 3.430 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N2CCOCC2)N1 587774812 OSQBLXFOPAHPET-IUUVKIEISA-N 369.278 3.184 0 1 FGAF Nc1ncc(Cl)nc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587088178 UMNYJVAMOOKSMA-UHFFFAOYSA-N 360.002 3.066 0 1 FGAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(O)ncnc3[nH]2)c1 587159186 LSXBQHVZQZJQCS-UHFFFAOYSA-N 350.353 3.464 0 1 FGAF Cc1ccc(-c2ncnc(N[C@H]3CCc4nc(N)sc4C3)c2O)cc1 219510585 VSILXMCTEXYHKR-LBPRGKRZSA-N 353.451 3.166 0 1 FGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1c(C)noc1CC 169712565 NAVYPUKXFWOZSU-WBVHZDCISA-N 362.426 3.120 0 1 FGAF Cc1ccc(-c2nc3[nH]c(=N)[nH]n3c(=O)c2Cc2cccc(Cl)c2)cc1 1857563770 PMDLPNAJEVYVSK-UHFFFAOYSA-N 365.824 3.050 0 1 FGAF CCCCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)cc1 5523969 CFJMHEIWIQRQOI-KRWDZBQOSA-N 351.491 3.126 0 1 FGAF O=C(c1nc2c(O)ccc(O)c2[nH]1)N1CCC(Cc2ccccc2)CC1 28604456 VRTXIAKQOCRVKK-UHFFFAOYSA-N 351.406 3.069 0 1 FGAF C[C@@H](C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2)CC1 27558524 WPVRTNZVFVPMEJ-IBGZPJMESA-N 372.553 3.483 0 1 FGAF FCCOc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1 29134297 GACKYORUNWZVHC-UHFFFAOYSA-N 354.429 3.005 0 1 FGAF CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1 29475054 BZXRDDWHRLMZAZ-QGZVFWFLSA-N 359.466 3.159 0 1 FGAF CSCOC(=O)Cc1cccc2cc([C@H](O)CNC(C)(C)C)oc12 29324822 HYMJGXNNQDBBDB-CQSZACIVSA-N 351.468 3.261 0 1 FGAF Oc1ccc2[nH]cc(CC3=NC[C@H](Cc4c[nH]c5ccc(O)cc45)N3)c2c1 27523920 YYTUOGIYMUPJQP-AWEZNQCLSA-N 360.417 3.216 0 1 FGAF Cc1noc(C)c1Cn1cc(NC(=S)Nc2ccccc2C#N)cn1 115732512 HYGRTCVZTMSLLD-UHFFFAOYSA-N 352.423 3.217 0 1 FGAF COc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)c1F 61907649 GIRMKQGTQUZTKS-HXUWFJFHSA-N 372.396 3.166 0 3 FGAF OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937753 KHGDILJGZLKKBP-CTNGQTDRSA-N 358.432 3.151 0 1 FGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1 117306325 YGUZUTYTYOFIEV-UHFFFAOYSA-N 369.446 3.317 0 1 FGAF Cc1ccc(-n2nc(C)c3c(N4CCCNCC4)nc(C4CC4)nc32)cc1 35990608 GISIFLYAIJJETR-UHFFFAOYSA-N 362.481 3.109 0 1 FGAF COC(=O)c1ccccc1OCC(=O)NCCc1ccc(C(C)C)cc1 7096825 LVQNIBAONAFDSN-UHFFFAOYSA-N 355.434 3.334 0 1 FGAF biogenic COC(=O)c1cncc([C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@]3(C)O2)c1 14612619 VIDAWANJVIEOJY-GHTZIAJQSA-N 363.417 3.152 0 1 FGAF biogenic COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82195417 RTUPWQQNUGDKLW-INIZCTEOSA-N 363.458 3.071 0 1 FGAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@H]24 49111528 AEHQXGJWNFLWOF-KVYZTJHFSA-N 360.413 3.004 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)c1ccc3ccccc3c1)N2C 95607594 OQQMHQMVUOHAAR-FCGDIQPGSA-N 353.418 3.021 0 1 FGAF Cc1ccc(COCc2cc(O)nc(=O)n2COCc2ccccc2)cc1 653850117 VZORLJBBKUWKJP-UHFFFAOYSA-N 366.417 3.148 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594609 NGFLXURMIKNZSE-GHTZIAJQSA-N 367.401 3.125 0 1 FGAF COc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cn1 587220406 BHOJSCYKPPZHDA-IBGZPJMESA-N 358.401 3.486 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 587952520 SPPKPMLMQGWXGY-VOMCLLRMSA-N 350.390 3.478 0 1 FGAF COC(=O)[C@H]1Cc2c(nc3cccc4c3c2CC4)CN1C(=O)OC(C)(C)C 587213689 YYSATFJZPFCCOS-QGZVFWFLSA-N 368.433 3.168 0 1 FGAF COc1cncc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587061233 RWGOLVLNWDKVTC-UHFFFAOYSA-N 352.785 3.156 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3c(N)ccnc3[nH]2)cc1Cl 586968104 MTTBLTHLKXRFBT-UHFFFAOYSA-N 371.857 3.375 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 586953602 WEDASMAVDOQYQS-UHFFFAOYSA-N 364.515 3.254 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)C2(C)C)N1 587824678 CLCQSCNOSCKXBN-OEODGHQXSA-N 356.235 3.448 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)ncc3[nH]2)n1 586967132 VDSSDOFHPIAVCR-UHFFFAOYSA-N 355.345 3.327 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586920478 LEHZSRJSSNEEGC-UHFFFAOYSA-N 372.233 3.247 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587784248 GLYMSMNJASCFOA-GHMZBOCLSA-N 373.210 3.011 0 1 FGAF N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1Cl 587059290 NREIRSJGQLMDJX-QGZVFWFLSA-N 370.884 3.291 0 1 FGAF CCOC(=O)[C@]1(c2cc(C)c(C)cc2C)NCCc2nc3ccccn3c21 962983096 AMYCCFCSJBLARB-JOCHJYFZSA-N 363.461 3.212 0 1 FGAF Cc1c(F)ccc2c1[C@@H](c1cc3cc4c(cc3nc1O)OCO4)NCC2 962092055 LXSBTTYWAUJCNN-LJQANCHMSA-N 352.365 3.352 0 1 FGAF CCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 225941067 APXJVQHWHOFBFC-UHFFFAOYSA-N 368.412 3.305 0 1 FGAF CC(=O)C[C@H](c1ccc([S@@](C)=O)cc1)c1c(O)c2ccccc2oc1=O 5159749 AQJSRROQSBLBDW-DXPJPUQTSA-N 370.426 3.347 0 1 FGAF CCOC(=O)c1ncn2c1CN(Cc1ccccc1)C(=O)c1ccccc1-2 13828207 VMJIKPBDIMRHOV-UHFFFAOYSA-N 361.401 3.205 0 1 FGAF CN1O[C@@](C)(CC(=O)NCc2cccc(O)c2)N=C1c1ccccc1Cl 205221674 DYOREUYMCHNVNB-IBGZPJMESA-N 373.840 3.092 0 3 FGAF COc1c(C(C)C)cc2c(c1O)[C@@]13CCC[C@@](C)([C@@H]1CC2)[C@H](O)OC3=O 1857551148 OFHKKPKTIHATKU-FCEUTRGCSA-N 360.450 3.390 0 1 FGAF O[C@@](Cn1cncn1)(Cn1ccc2ccccc21)c1ccc(F)cc1F 1857652774 ZCXOHOAPIDEYCC-LJQANCHMSA-N 354.360 3.099 0 1 FGAF O=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911571557 UZGGCPPNHPWZKF-UHFFFAOYSA-N 357.360 3.417 0 1 FGAF O=C(NCc1ccncc1)c1ccc(-c2cnn(Cc3ccccc3)c2)nc1 1504894 IENKYMIFUSUMDZ-UHFFFAOYSA-N 369.428 3.318 0 1 FGAF CN(C)CCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21 3927092 QFJMKWALUAWNKC-UHFFFAOYSA-N 363.870 3.084 0 1 FGAF COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1 58580935 LPZNPLNTTAXPAW-UHFFFAOYSA-N 355.394 3.028 0 1 FGAF CCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216409 LBNXYRXOAIVQOR-DZGCQCFKSA-N 368.865 3.385 0 1 FGAF Cc1ccc(CN(C)C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c(C)c1 102726043 BTPMNKKGWKFXDU-IRXDYDNUSA-N 371.477 3.200 0 1 FGAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(C3CCC3)CCN21 2356321233 ZAQVXDXNMNKFKC-GOSISDBHSA-N 361.917 3.113 0 1 FGAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 101652221 NBJTZENJEARXCL-UHFFFAOYSA-N 357.369 3.026 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356477996 OYLNTXTUFZDPQX-NSHGMRRFSA-N 362.539 3.331 0 1 FGAF OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CCN1Cc1ccccc1 22933553 GUWKYRLNUJNZHT-SFHVURJKSA-N 371.550 3.091 0 3 FGAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3ccccc3)cs2)C1 61908145 VEBMPHJSYOZKLP-HXUWFJFHSA-N 372.490 3.030 0 3 FGAF CCC(=O)O[C@@H]1CC=C(C)CCC2=C(COC(C)=O)C(=O)O[C@H]2C=C1C 2356563369 ZHSMTXSVUWPNHP-MSOLQXFVSA-N 362.422 3.170 0 1 FGAF Cc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937875 PIFJXKYJXNZXRB-IFMALSPDSA-N 354.469 3.321 0 1 FGAF O=C(O)CCN1CCC(=C2c3ccc(F)cc3OCc3ncccc32)CC1 27558514 ZSUHIYVESVSKJO-UHFFFAOYSA-N 368.408 3.486 0 1 FGAF COc1ccc(CN2c3c(sc4ccccc34)C(O)=NS2(=O)=O)cc1 27758076 WFGWINIQDJRPDD-UHFFFAOYSA-N 374.443 3.480 0 1 FGAF COc1cc([C@H]2Oc3c(OC)cc([C@@H](O)[C@H](C)O)cc3[C@@H]2C)ccc1O 38494867 ATJXKALKESRMIG-GTXVLXIYSA-N 360.406 3.061 0 1 FGAF C[C@@]12C(=O)N(C3CCCCCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 2112203 LBRRTOMNWGKHGX-JOCHJYFZSA-N 365.477 3.333 0 1 FGAF biogenic COc1ccc(Nc2c(C(N)=O)cnc3cc(OC)c(OC)cc23)cc1 40413278 ZBTKGEFFOKQWGN-UHFFFAOYSA-N 353.378 3.103 0 1 FGAF Cc1ccc(-c2cc(NC(=O)c3nnc(-c4ccccc4N)o3)n[nH]2)cc1 43013415 LFYICFPKEFNMDP-UHFFFAOYSA-N 360.377 3.270 0 1 FGAF aggregator CCCNC(=O)CSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40812458 SPZZQXFLVUPSCH-WFOZZGTHSA-N 369.527 3.241 0 1 FGAF CCOc1ccc2cc(-c3nn(C4CCCC4)c(N)c3C(N)=O)cnc2c1 221719764 KKVWPXTXOCRUQG-UHFFFAOYSA-N 365.437 3.293 0 1 FGAF CC(=O)OCC1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40394055 KHZSUAVRDWQLGZ-MRXNPFEDSA-N 360.834 3.436 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@H](C)CCC[C@@H]2C1 253634644 IDNZRSXQOGDYGG-JHJVBQTASA-N 351.878 3.066 0 1 FGAF CNC(=O)[C@@H]1N(C(=O)COc2ccc(Cl)cc2)c2ccccc2C1(C)C 473136276 PCZGNWMCLVCSQD-SFHVURJKSA-N 372.852 3.158 0 1 FGAF CC(=O)O[C@@H]1[C@H]2[C@H](C)OC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@H]32)N41 299825786 NIVGFWXFJATDQP-GZDNATGCSA-N 366.461 3.020 0 1 FGAF Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)ccc1F 653777862 LDWKVFAOUNQPHG-MAUKXSAKSA-N 367.417 3.160 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1 586986672 ZHCBIAQDLQUARW-AWEZNQCLSA-N 359.227 3.140 0 1 FGAF CCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587410384 SAPGFIWKKOUPSE-GOSISDBHSA-N 359.447 3.467 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(CN3CCOCC3)CCCCC1)O2 587400455 PUCVFAMZQAOGRD-IBGZPJMESA-N 358.482 3.194 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587236324 UQCAGNJIGZXLIU-RNFRBKRXSA-N 351.250 3.450 0 1 FGAF OCCc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003578 MODYJQTUGAPNTF-UHFFFAOYSA-N 357.211 3.404 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c(C)c(C(=O)O)c41)[C@@H](C2)C3=O 587438640 PKMYMFONLQNRQB-YUNKPMOVSA-N 353.374 3.009 0 1 FGAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)n1 587079356 JCVFBEABGVFDTB-MRVPVSSYSA-N 354.819 3.298 0 1 FGAF COc1cc2cncc(Cc3ccc4c(c3)oc(=O)n4C)c2cc1OC 584621485 ONPIQEOUWZRGHN-UHFFFAOYSA-N 350.374 3.288 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CC[C@@H]1CCCN1C 587869103 BGTPTWBAGCZVME-ZDUSSCGKSA-N 354.376 3.457 0 1 FGAF COC(=O)c1cccc2nc(C(F)(Br)Br)[nH]c12 587086958 KBYDBKWIVNBIRY-UHFFFAOYSA-N 365.984 3.219 0 1 FGAF Oc1nc2cc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2[nH]1 587077038 QWUGUFVSPMLDLR-HNNXBMFYSA-N 353.769 3.415 0 1 FGAF CN(C)CCOc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177608 QDCGCBFYNTUMPT-UHFFFAOYSA-N 369.444 3.305 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586880782 BTNQUBBOCIRQDR-UHFFFAOYSA-N 362.311 3.252 0 1 FGAF CCOC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587247029 LPMNCNJKTFPECM-OAQYLSRUSA-N 365.433 3.091 0 1 FGAF COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587440707 QCMRXZWNESAKLW-LAUBAEHRSA-N 352.386 3.210 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cnccn23)N1 587772292 FHDUQTZWPITNAP-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)(C(O)O)CC2=O 587489775 OYBMLTYTOOEMEK-OAQYLSRUSA-N 356.418 3.079 0 1 FGAF CCOC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592525 ADGGBVFTOFJHTF-OXJNMPFZSA-N 356.374 3.312 0 1 FGAF Cc1cc(F)cc2c(=O)nc(-c3ccc(C(C)(C)OCCO)cc3)[nH]c12 210834909 IFGZJOCKQVPMQP-UHFFFAOYSA-N 356.397 3.282 0 1 FGAF CCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358361 QUXLNVJRKGBIFE-LJQANCHMSA-N 369.417 3.287 0 1 FGAF CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2Cc2ccccc2)cc1 206166906 YKPNPMKMNGJDFX-UHFFFAOYSA-N 364.401 3.103 0 1 FGAF CCCC[C@H](CC)CN1C=N[C@@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@@H]21 1857619803 LROKOVKTZKIJLR-RYGJVYDSSA-N 370.497 3.021 0 1 FGAF Cn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O 2465463 FXBTUFXYKJODDX-UHFFFAOYSA-N 351.431 3.022 0 1 FGAF N[C@@]12CC(C(F)(F)F)=C[C@H](Cc3nc(O)ccc31)/C2=C\C(F)(F)F 100809904 BQYXYZYJEUBVBN-OTZLPOFSSA-N 350.262 3.495 0 1 FGAF CC(C)O[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204838 GTLVWWDDHQLZBL-SWLSCSKDSA-N 368.865 3.335 0 1 FGAF CCCCc1nc(Cl)c(CC(=O)O)n1Cc1cccc(C(=O)O)c1 28761719 FTSAJVXUANRYBP-UHFFFAOYSA-N 350.802 3.253 0 1 FGAF Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3C)nc2n1 113419838 NYJIFYXUGXQBGB-UHFFFAOYSA-N 350.451 3.434 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)C1(c2ccccc2)CC1 61902478 KOVOWEPGQXEIMU-NRFANRHFSA-N 374.444 3.224 0 3 FGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cc(Cl)ccc4C)C[C@H]3C2)n1 116824020 QNQQLAMJADYLTH-HOTGVXAUSA-N 370.884 3.264 0 1 FGAF CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 28009549 ZRXDUWHFUJAOKS-LSDHHAIUSA-N 369.448 3.411 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580812 XIRDDTDHEHMUTQ-SSDOTTSWSA-N 354.375 3.499 0 1 FGAF COc1ccc(CS(=O)(=O)/C=C/c2c(F)cc(F)cc2F)cc1N 84633455 WKFRKDQARKOADK-SNAWJCMRSA-N 357.353 3.280 0 1 FGAF N=C(N)c1cccc(OCc2ccccc2COc2cccc(C(=N)N)c2)c1 43059412 ZOEZTRNZXXAAII-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]31)CC(=O)O 238748088 IAFJTWYMXVDEMA-RJECZMIFSA-N 350.455 3.164 0 1 FGAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 254047919 SWMLFRMOWVYIDT-IPJJPTDCSA-N 362.510 3.135 0 3 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 586945105 WQIFDUZIAHRIJA-UHFFFAOYSA-N 353.831 3.142 0 1 FGAF Clc1c[nH]c2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2n1 587029596 QOLFQNGRQDKVRI-UHFFFAOYSA-N 367.825 3.479 0 1 FGAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456415 UWPBQOZMKBGBPO-LRTDBIEQSA-N 368.385 3.362 0 1 FGAF CCCC(=O)Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652649 XMCGYXRQQCNBLC-UHFFFAOYSA-N 369.808 3.477 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C(=O)C(=O)OCC)CC2=O 587483256 PXLXUAWBARXGTP-VFNWGFHPSA-N 374.433 3.371 0 1 FGAF CC1=C(c2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)NNC(=O)C1 587090226 NTTCPAZQDVMCSI-ZDUSSCGKSA-N 362.714 3.242 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 586974678 XCLFZZSZPOBHLF-INIZCTEOSA-N 369.446 3.372 0 1 FGAF CN(C)c1nccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587662309 ZEYGUUFVICAZAB-UHFFFAOYSA-N 361.380 3.048 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cncc32)N1 587770301 ILGQWXNHIGNNJB-QLJPJBMISA-N 350.235 3.356 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587441421 FKEQSTULHCXSTP-SCLBCKFNSA-N 356.374 3.210 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCCC(=O)O)c1)[C@@H](C2)C3=O 587443611 WSCCSRYQXKRZBI-HRAATJIYSA-N 368.385 3.428 0 1 FGAF COc1ccnc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587863222 VIOAPNKSZGFCCD-UHFFFAOYSA-N 350.300 3.365 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587008450 WASJFBQFAYYLIK-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF CCOC(=O)Cc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587164152 ZNYAVHZKDNRCAE-UHFFFAOYSA-N 369.396 3.379 0 1 FGAF COc1cc2c3c(c1)O[C@H](CCc1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587449502 BSADLTFSXJCTHS-HZPDHXFCSA-N 352.386 3.215 0 1 FGAF CN1C(=O)C[C@H]2CN[C@](C)(c3ccncc3Br)c3cccc1c32 963038607 ZJZCXOKDRRRMQQ-BBATYDOGSA-N 372.266 3.161 0 1 FGAF O=C(Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12)NCCc1ccccc1 13821276 CGCSTSUYMJOCAV-UHFFFAOYSA-N 356.809 3.421 0 1 FGAF CC(C)(O)c1cc2cc3c(cc2o1)OC[C@]1(O)c2ccc(O)cc2O[C@H]31 15261715 FLURXOFTUKXKQN-QUCCMNQESA-N 354.358 3.080 0 1 FGAF endogenous,in-man CCc1nc2c(N3CCNCC3)ccnc2n1CCc1cccc(Cl)c1 1857748819 ITAXWFVRSXZUPL-UHFFFAOYSA-N 369.900 3.299 0 1 FGAF Cc1cc2c(s1)CC[C@@H](CN[C@H]1CC[C@@H](Oc3ccccc3)[C@H]1O)C2=O 2014157 IMKMRGOTDDUQHF-HEFCWWFNSA-N 371.502 3.362 0 1 FGAF Cc1cccc(NC(=O)CNC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)n1 101469208 RFQCXYQJKQDBQE-IHWOHKJGSA-N 361.873 3.023 0 1 FGAF CC(C)C[C@H]1NC(=O)C([S@](=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603576 FUMNTRIFOZAICJ-YYUOZPCZSA-N 361.385 3.268 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356560974 LLQBSJQTCKVWTD-XCDZQEORSA-N 356.503 3.267 0 1 FGAF CC(C)=CCCC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@H](C)NC2=O)cc1 2356609337 WNQHFIWBXDAPMW-PXNSSMCTSA-N 370.493 3.304 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@]1(C)C(=O)C[C@H](C)[C@@]2(C)CCC1=CC(=O)OC1 2356610427 JIQFBMQXZGTZHF-JKTTVSRJSA-N 360.450 3.381 0 1 FGAF C[C@@H](OC1=CC2=C3C=CNc4c3n(c(=O)c3ccccc43)[C]2C=C1)C(=O)O 2356849450 CIGZQYYDWDPZIY-LLVKDONJSA-N 359.361 3.031 0 1 FGAF CCNCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 33949596 DINCAJAWFDEDPU-UHFFFAOYSA-N 359.832 3.273 0 1 FGAF COc1cccc(C(=O)Nc2ncc(Br)s2)c1OC(C)=O 35878061 WHGTVAMUESZWTG-UHFFFAOYSA-N 371.212 3.092 0 1 FGAF CN1CCC(C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 71318789 BDKPJSNASAZMCK-RZUBCFFCSA-N 356.510 3.007 0 1 FGAF NC1=NCC[C@H](c2c[nH]c3cc(Br)c(Br)cc23)N1 45256681 QFUQQGJHGOKBAW-SNVBAGLBSA-N 372.064 3.042 0 1 FGAF COC[C@H](Cc1ccccc1)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82204251 IDMVPNDTZQNEQJ-SCTDSRPQSA-N 370.497 3.068 0 1 FGAF Cn1c2c(c3cccc(S(=O)(=O)c4ccccc4)c31)[C@@H]1CC[C@H](C2)N1 82152231 OUVSIXANZHJSBH-CJNGLKHVSA-N 352.459 3.360 0 1 FGAF CCC[C@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 137586429 FKHMQZHODLLQGM-GBESFXJTSA-N 350.418 3.474 0 1 FGAF C/C=C1/CN2COC[C@H]3[C@@H]2Cc2c([nH]c4ccc(OC)cc24)C(=O)C[C@@H]13 238767502 DZESTLGCPZNPFB-SVPGXPEDSA-N 352.434 3.156 0 1 FGAF NC[C@H]1CCC[C@@H](CNC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)C1 145117534 CSKKHGUHJKUGMM-QWHCGFSZSA-N 369.494 3.181 0 1 FGAF CN(CCOc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1)c1ccccn1 96906737 ZHZZNFVUTPBVLP-FQEVSTJZSA-N 369.490 3.333 0 1 FGAF Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3cn(C)cn3)C2)n1 257240782 HVFHBUDKAJHZIU-INIZCTEOSA-N 351.454 3.152 0 1 FGAF COc1ncccc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924034 ABJVSVFDBZYKJN-UHFFFAOYSA-N 361.448 3.252 0 1 FGAF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(Cl)c(F)cc12 587631905 LSOMGGQMVMCQOD-UHFFFAOYSA-N 363.776 3.333 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O 587101715 OZPQAYMBMGAUOY-GUYCJALGSA-N 373.364 3.180 0 1 FGAF COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)nn1-c1ccccc1F 587155791 HHQIULWJFOSUKM-UHFFFAOYSA-N 370.315 3.401 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCN4C(C)=O)[C@@H](C2)C3=O 587444879 RPRBOOCENVWHBT-HTAPYJJXSA-N 363.413 3.267 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Cc1ccccc12 587602270 HHODGRZGSQGXDW-SIKLNZKXSA-N 358.349 3.375 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963239 YSPRIBXOXZOTRC-BYPYZUCNSA-N 357.226 3.196 0 1 FGAF CCOC(=O)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587515956 SBNGWUKWVBNWGK-OAQYLSRUSA-N 351.402 3.384 0 1 FGAF O=C1Cc2c3c(n(CCCc4ccc(Cl)c(Cl)c4)c2O1)OC(=O)C3 587943144 NOBGVZLMBPAJDH-UHFFFAOYSA-N 366.200 3.351 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC(C)=O)c1)[C@@H](C2)C3=O 587444847 VTBDYOXGXPVCPQ-YCRPNKLZSA-N 368.385 3.292 0 1 FGAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587927009 MYSPWCCWTAMXSR-CQSZACIVSA-N 364.409 3.098 0 1 FGAF CNS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531674 INYIUUKEWWKIDA-IBGZPJMESA-N 371.458 3.180 0 1 FGAF COc1cc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587401393 XLOQQNBDIYHIQO-HXUWFJFHSA-N 357.406 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587440841 QVXLCKMZKRQSFI-VQDICGIKSA-N 368.385 3.210 0 1 FGAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(Cl)sc1Cl 587564128 ZOPVPIWTZSRJRJ-UHFFFAOYSA-N 372.189 3.098 0 1 FGAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397691 AIUHAVVLMWSZOI-APWZRJJASA-N 353.418 3.333 0 1 FGAF C[C@H](F)[C@@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587124802 PCHKNAHUSJGMQP-MHTLYPKNSA-N 351.017 3.446 0 1 FGAF NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccccc43)o2)cc1 15924667 GVLJYOXYVQIXNK-WJDWOHSUSA-N 366.398 3.087 0 3 FGAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2cccnc2)o1 169686036 YRDUOKJCWFOFMN-OALUTQOASA-N 374.396 3.135 0 1 FGAF O=N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 169712052 DAVXPKZMOAKGGT-KRWDZBQOSA-N 361.396 3.165 0 1 FGAF C[S@](=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205047116 OARQRIONHZACAE-VWLOTQADSA-N 355.419 3.290 0 1 FGAF Cc1ccc([C@]2(O)c3ccccc3C(=O)N(C)[C@@]2(O)c2ccc(C)cc2)cc1 1648549 UQRXVACWPANGTN-BJKOFHAPSA-N 373.452 3.470 0 1 FGAF COc1ccccc1CCn1c(=O)c(-c2ccccc2)nc2cncnc21 4238257 KCMUQLLVZHUSNO-UHFFFAOYSA-N 358.401 3.105 0 1 FGAF O=C(c1cccnc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100106583 XVMZAJJGYFJQPF-KOUNCHBCSA-N 355.441 3.329 0 1 FGAF O=C(c1ccco1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 29058233 CNNLTKYBIACZHA-UHFFFAOYSA-N 372.340 3.132 0 1 FGAF COc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 64560388 PBGRARHEVYPEOU-JTQLQIEISA-N 358.190 3.385 0 1 FGAF CCNC(=S)Nc1ccc2c(c1)c(=O)n(C)n2-c1cc(C)cc(C)c1 61908668 KSHQAXIKSWDNEO-UHFFFAOYSA-N 354.479 3.252 0 3 FGAF Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2CCN1CCCC1 28101485 ORQCAEOAVYHRCZ-UHFFFAOYSA-N 371.916 3.135 0 1 FGAF NC(=O)c1cc(CCCCC(=O)Nc2nc(-c3ccccc3)cs2)on1 40874610 OYRVTVITQRVZID-UHFFFAOYSA-N 370.434 3.249 0 1 FGAF CCCCC(=O)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 95544125 ARCWYJXCCZXDKA-UHFFFAOYSA-N 372.469 3.205 0 1 FGAF COc1cccc2c1[C@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473107114 HKTOBWBJAIXLOQ-NRFANRHFSA-N 374.525 3.062 0 1 FGAF COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)NC(C)(C)C)c1ccccc1 299864398 MKCHDBICPYNENZ-LJQANCHMSA-N 352.434 3.240 0 1 FGAF O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(Br)cc1F 653831361 CBJRKDRZLMUXEG-UHFFFAOYSA-N 370.561 3.499 0 1 FGAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3c(OC)cccc23)cn1 653791979 SZQBCRMJGVRHTB-UHFFFAOYSA-N 367.405 3.456 0 1 FGAF Cn1c(Cl)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552460 ROXDLURRRSXUGN-WMLDXEAASA-N 356.765 3.482 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)O)c2[nH]1 586984875 VUOKQUVNSOFPAF-LBPRGKRZSA-N 360.211 3.266 0 1 FGAF Cc1cncc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946369 VSCRVJJMBUUCQX-UHFFFAOYSA-N 374.447 3.066 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cn1)[C@@H](C2)C3=O 587421293 LTAGBQNJIXRNAB-DJJJIMSYSA-N 372.808 3.279 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]cncc1-2 587589453 OXPBCSFDWWBTMI-APWZRJJASA-N 359.341 3.318 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cn2)N1 587735766 VABIYUTVPCVQPG-ANRSDYALSA-N 354.198 3.315 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cnn(C)c1)CC2=O 587474709 HBLHQPDZPZOLRK-XTXLJPNXSA-N 355.438 3.014 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 587136501 PZIAGLGMOBVATA-UHFFFAOYSA-N 368.137 3.452 0 1 FGAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2nc(Br)c[nH]c-2n1 587151671 USIWRBKRCQPCQR-ZCFIWIBFSA-N 355.142 3.485 0 1 FGAF COc1cccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431557 HEPYLDOHXDTVSR-IERDGZPVSA-N 367.401 3.239 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnc(Cl)[nH]c-2n1 587043617 UDQBDTULBAQNAG-SNVBAGLBSA-N 366.233 3.267 0 1 FGAF C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342789 HGOIQYZYGNTYBJ-HXGDPMPDSA-N 367.376 3.046 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]1[C@H]5C(=O)[C@H]42 587488547 KNWWLOZHVAIBBO-MYXLIHMUSA-N 350.414 3.006 0 1 FGAF Cc1cnn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579984 GGXLAGGOZHHHEP-XLIONFOSSA-N 350.374 3.318 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587236082 YLFHJCPIBUASTF-CHWSQXEVSA-N 358.442 3.213 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4sc(=N)[nH]c41)[C@@H](C2)C3=O 587450494 FPJHGAWUGGOFIJ-JEOXALJRSA-N 356.447 3.180 0 1 FGAF O=C(CCc1nnc(CCC2CCCCC2)o1)NCCc1ccccn1 12387737 PTDNNDXXDVSGES-UHFFFAOYSA-N 356.470 3.269 0 3 FGAF CCCCC/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 169622161 RIBVJRIPUIBKFY-MOEAWNEWSA-N 352.471 3.251 0 1 FGAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)c1cncs1 166292501 WVIUBOOCVHCGCK-UHFFFAOYSA-N 365.418 3.338 0 1 FGAF COc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 205217141 PVQZAJSFNVZNLO-CZUORRHYSA-N 374.799 3.363 0 3 FGAF CCS(=O)(=O)Nc1cc(-c2ccc(O)cc2Cl)cc2n[nH]cc12 1857619066 RKZMBXKNTSFKCF-UHFFFAOYSA-N 351.815 3.351 0 1 FGAF Cc1cc([C@]23O[C@@H]4COC(C)(C)O[C@H]4[C@@H]2OC(C)(C)O3)nc2ccccc12 105524567 ZUAHQDPDUQIUOG-LAVAIGHBSA-N 371.433 3.398 0 1 FGAF COc1cccc(Cl)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1911579295 XXDVVSJVINIJSG-UHFFFAOYSA-N 359.857 3.353 0 1 FGAF CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]2OC[C@]12C 27846405 RURJICWFYHBEJA-KGQFFSRGSA-N 355.478 3.015 0 1 FGAF COCCN(CCOC)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 28824671 NUQABFWOPIUVMG-UHFFFAOYSA-N 352.434 3.294 0 1 FGAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)cc4)OC[C@H]23)ccc1OC(C)=O 2356488126 ZPSPQHSDXGZBIM-USNOLKROSA-N 370.401 3.401 0 1 FGAF CC(=O)Oc1ccc(C=CC(=O)OC[C@@H]2CCCN3CCCC[C@@H]23)cc1 2356618033 BGRJFGWDFMYSGC-ICSRJNTNSA-N 357.450 3.433 0 1 FGAF COc1ccc([C@@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251502 KLFAJLHIJQPMNJ-VOJFVSQTSA-N 373.405 3.151 0 1 FGAF Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1 35900479 LULQEEMGHQSVIL-UHFFFAOYSA-N 365.433 3.181 0 1 FGAF C=CCC1=C[C@@](OC)([C@H](C)C(=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15212914 WYVJMGLRFFOZES-LRTDBIEQSA-N 370.401 3.235 0 1 FGAF biogenic CCOc1c(C(=O)N(CC)CC)c2nnc(C(C)C)n2c2ncccc12 40864908 ZUAYLSWRWQMDHU-UHFFFAOYSA-N 355.442 3.282 0 1 FGAF O=C1NC2=C(CNC/C2=C\c2ccccc2F)[C@@H](c2ccccc2F)N1 96270600 PCXZWYXQTPSKMF-XWGMLZDCSA-N 353.372 3.260 0 1 FGAF COc1ccccc1N1CCN(CCCc2ccc3c(c2)OCO3)CC1 95564698 NEWCXTPUTPBFPU-UHFFFAOYSA-N 354.450 3.179 0 1 FGAF COc1ccc(C(=O)OCCN2CCCN(Cc3ccccc3)CC2)cc1 95755456 FZSVBRQLKSSIMI-UHFFFAOYSA-N 368.477 3.060 0 1 FGAF Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc2c1[nH]c1ccccc12 38301106 QHKJDSMEMMQMCD-IBGZPJMESA-N 373.412 3.450 0 1 FGAF biogenic CNCCN(C)Cc1cnn(C)c1-c1ccc(OC(C)C)c(Cl)c1 474609360 QCPRDFJGTLMBCJ-UHFFFAOYSA-N 350.894 3.179 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 586945582 IZYQYMDPPMOMNB-UHFFFAOYSA-N 361.467 3.478 0 1 FGAF FC(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586911278 XHXORPVJKNFHGA-MRVPVSSYSA-N 365.149 3.302 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C 587834408 RHFQJHCBIDBKNL-CIOAXZDRSA-N 356.235 3.289 0 1 FGAF Fc1cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587001217 DDDCYFJUHNXGPY-UHFFFAOYSA-N 360.190 3.452 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccncc1)CC2=O 587491487 TVHPMWOBTNPIOC-FQEVSTJZSA-N 355.390 3.465 0 1 FGAF Fc1cnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970326 WYHGYJKNDRBCFL-UHFFFAOYSA-N 371.353 3.168 0 1 FGAF COC(=O)c1cc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2cc1OC 587162476 CSNROVBCZNHXIL-QGZVFWFLSA-N 357.385 3.148 0 1 FGAF O[C@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1 13471785 OYAFLVNFRTYRSK-CTNGQTDRSA-N 369.436 3.435 0 1 FGAF O=C(NCc1ccncc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721991 VHQCGWMJTFLRJH-IYBDPMFKSA-N 373.412 3.354 0 1 FGAF CCc1ccccc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 167075356 PKAUPUKGIWRPBZ-QZTJIDSGSA-N 372.472 3.401 0 1 FGAF NS(=O)(=O)c1cc(C(=O)O)c(NC2CCCCCCC2)cc1Cl 1857748472 IBXZMQXWKGWYDC-UHFFFAOYSA-N 360.863 3.210 0 1 FGAF O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2ccccc2s1 146665706 LRAGEJPCNKMCHP-UHFFFAOYSA-N 363.442 3.479 0 1 FGAF COc1ccc2cc3c(NC(=O)COc4cccc(C)c4)[nH]nc3nc2c1 4950579 XKIPZVFCMXVXCC-UHFFFAOYSA-N 362.389 3.446 0 1 FGAF CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc([C@@H]2CCCN2)s1 23145655 DJMCVHMQFWBREU-HNNXBMFYSA-N 368.462 3.495 0 1 FGAF O=C(O)[C@@H]1Cc2cc([C@@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1 26650591 GFKYAZOCXXIWHG-SMDDNHRTSA-N 352.173 3.368 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C([C@@H](C)C(=CC(=O)O)CC3)[C@H](O)C[C@H]21 2356473290 AGSAINARGNMCLQ-SRUBRRNGSA-N 362.466 3.474 0 1 FGAF CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)no1 66129065 FMXKABDOJZOYKY-HNNXBMFYSA-N 354.385 3.369 0 1 FGAF CS(=O)(=O)c1ccc(Nc2nc([C@H](N)c3ccccc3)cs2)cc1 61897477 ZOGBZSKOSCEUMH-MRXNPFEDSA-N 359.476 3.338 0 3 FGAF COc1cc(-c2ccc3ncc(-c4ccncc4)n3n2)cc(OC)c1OC 74385906 CICOEQFQQSJXNZ-UHFFFAOYSA-N 362.389 3.484 0 1 FGAF Clc1cccc(COc2nc(N3CCNCC3)nc3sccc23)c1 45351882 GNAZTBFTLGYSPI-UHFFFAOYSA-N 360.870 3.333 0 1 FGAF CC(C)n1c(=O)nc(-c2ccc(C(=O)O)cc2)c2cc3c(cc21)OCO3 40465269 HFXTXRWSTCRGSQ-UHFFFAOYSA-N 352.346 3.071 0 1 FGAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)O)cc2)c1)C(=O)O 45347622 HSDSNDNKMKXBJE-ZDUSSCGKSA-N 354.189 3.313 0 1 FGAF CC1(C)OC(=O)[C@@H](c2cccc(F)c2)[C@H]1c1ccc(S(C)(=O)=O)cc1 40762669 SRBHRJQIWKGVHK-DLBZAZTESA-N 362.422 3.432 0 1 FGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NC1CCCCC1 82203332 AQMHDNCMKAHYHQ-UHFFFAOYSA-N 352.486 3.251 0 1 FGAF CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(=O)C1CCC1 95871772 VDURDNUHUZLXDC-BHDDXSALSA-N 364.489 3.028 0 1 FGAF COc1ccc(-c2c(N)n[nH]c2-c2cc(OC)c3c(c2OC)OCO3)cc1 96917863 PXEPMNPKDSSPIW-UHFFFAOYSA-N 369.377 3.080 0 1 FGAF Cc1nccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772297 FIYGKSUHLVTSNE-JDNHERCYSA-N 350.235 3.484 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cn(C)nc1C)CC2=O 587477125 URRNCTAFUCTJHP-RQWLHQTBSA-N 369.465 3.323 0 1 FGAF CCCc1nc(-c2nc3cc(N)c(N)cc3[nH]2)nn1-c1ccccc1F 587155849 IJPIQSSFWANDBW-UHFFFAOYSA-N 351.389 3.067 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3ccc4c(c3[nH]2)CCCC4)CC1 586953584 VJOOPNIJIPRKGZ-UHFFFAOYSA-N 361.511 3.440 0 1 FGAF FC(F)COc1cccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)n1 587128969 GOVHTIBEDHMOAR-UHFFFAOYSA-N 374.391 3.101 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c1nc(Cl)cc3=O)CC2=O 587463390 YPHBQCNDHHOYSK-IBGZPJMESA-N 372.808 3.290 0 1 FGAF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587385940 GAIRPMKTTSWNDM-OAQYLSRUSA-N 368.433 3.067 0 1 FGAF Cc1nn(C)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757216 OBTANLATZQCNKH-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3ccnc(Br)c3[nH]2)n1 587119512 YTQRMLHVUKNTFD-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 5813166 QVECYZNLDSHKCT-ZDFPQIBNSA-N 366.461 3.429 0 1 FGAF CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 13139155 FXSBFPIWUAJKCX-YJEJQGFLSA-N 353.418 3.345 0 1 FGAF COc1ccccc1N1CCN(C[C@@H]2CC(=O)c3ccccc3C2)CC1 13471606 UMEYBQLIJXNFOT-KRWDZBQOSA-N 350.462 3.263 0 1 FGAF C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2O)CO3)O1 14825558 MWILFHFRKVPOMC-UKRRQHHQSA-N 354.358 3.042 0 1 FGAF biogenic COc1ccc2c3c([nH]c2c1)[C@]1(NCC3)C(=O)N(C)c2ccc(Cl)cc21 203473151 DRTZLZKJCAIBSP-FQEVSTJZSA-N 367.836 3.196 0 3 FGAF Cc1cccc(-n2c(N3CCN(C)CC3)nc3c(Cl)cccc3c2=O)c1 1857608455 WPERSYOZUBIAFK-UHFFFAOYSA-N 368.868 3.099 0 1 FGAF COc1ccc(F)c([C@H]2NC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1 1857759315 LBIYDQSDCCRMHN-OAHLLOKOSA-N 362.357 3.085 0 1 FGAF Cc1cc2cc3c(cc2n2c(SCC(=O)OC(C)C)nnc12)OCCO3 877380 NKDBZFLZLVQVLV-UHFFFAOYSA-N 373.434 3.006 0 3 FGAF Cc1ccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356309410 DWHILOQSYMCGFS-HZPDHXFCSA-N 371.481 3.399 0 1 FGAF CCCNc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 6380552 FUPJDVHLLJTZMM-UHFFFAOYSA-N 363.465 3.347 0 1 FGAF O=C1c2cc(Br)cc(Br)c2OC[C@@H]1n1ccnc1 27407051 QSZZJXTZSKTFEO-JTQLQIEISA-N 372.016 3.225 0 1 FGAF Nc1ccc2cccc(O[C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)c2n1 28371667 YGVPVRLYSXAJMW-INIZCTEOSA-N 363.417 3.199 0 1 FGAF O=C1Nc2ccccc2C[C@H]1N1CCN(Cc2ccc(Cl)cc2)CC1 22945191 NKJVFWPJNBYTCK-LJQANCHMSA-N 355.869 3.021 0 1 FGAF COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccccc4)CC3)c2c1 103237111 UZFCEZBDIBYWIT-UHFFFAOYSA-N 364.445 3.343 0 1 FGAF COc1cc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)cc(OC)c1 66138731 DQYCNHBELXAHGU-PWRODBHTSA-N 356.418 3.278 0 1 FGAF CCN(CC)C(=O)Cc1c(-c2ccc(O)cc2)nn2c(C)cc(C)nc12 118775401 XNPWVZZOTNFVLY-UHFFFAOYSA-N 352.438 3.130 0 1 FGAF Cc1c(NC(=O)Cc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12 25970716 KEPOCWFLNXEPAU-UHFFFAOYSA-N 357.417 3.437 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)O 2356506134 CIMMACURCPXICP-XSLAGTTESA-N 354.487 3.475 0 1 FGAF COc1cccc2c1OC[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49017032 ILUDIYKWDMIEKX-CQSZACIVSA-N 373.416 3.329 0 1 FGAF Cc1ccc(C(=O)OC[C@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 45497285 HKOMWFAIGNRGBR-PETIARSGSA-N 358.434 3.337 0 1 FGAF COc1c(C)c(O)c(C)c2c1C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 139118773 YCKJMWYVLFOHAG-CYBMUJFWSA-N 356.374 3.180 0 1 FGAF CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 195455556 FXSBFPIWUAJKCX-AHCXZYCDSA-N 353.418 3.345 0 1 FGAF COc1ccc([C@H](CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1 95579587 CLMUVLSJCURYDE-FQEVSTJZSA-N 369.465 3.044 0 1 FGAF O=C(C1CCCC1)N1C[C@@]2(CCCN(C3COC3)C2)Cc2ccccc21 299849833 CFMBJEKZYLDVOB-QFIPXVFZSA-N 354.494 3.247 0 1 FGAF Cn1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N 587343803 VJQDMNFPDXOEAN-YLJYHZDGSA-N 367.380 3.121 0 1 FGAF CCOC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593103 CDIKPOLZPJKXKV-WCKOCXJASA-N 354.358 3.066 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(O)cc4[nH]3)CC2)cc1 586954476 DCOLDYNYNHISBT-UHFFFAOYSA-N 371.462 3.145 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3n[nH]cc32)N1 587794995 MYQCEFWWFKONLT-JDNHERCYSA-N 350.235 3.425 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1nccn1C)CC2=O 587470902 MVBKCYMBIKYVJI-OAQYLSRUSA-N 363.417 3.382 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 586966521 GVAGSRUZPLQQBI-UHFFFAOYSA-N 366.349 3.235 0 1 FGAF CC(C)c1nn(C)c2c1[C@@](c1ccccn1)(c1cccnc1Cl)NCC2 962911111 OSFJDFWQNUDWMG-FQEVSTJZSA-N 367.884 3.425 0 1 FGAF Cc1ccc2c(c1)[C@]1(C(=O)N2C)c2cccc(Br)c2CCN1C 963289445 NETIETFBCXICIJ-IBGZPJMESA-N 371.278 3.465 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963100643 CFLHWTCBAPBTJF-XFQAVAEZSA-N 359.441 3.364 0 1 FGAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1CCC3 113156097 URKPFPJAAKUQDX-LLVKDONJSA-N 356.397 3.479 0 1 FGAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccco1 1772655083 DWQRWYHDUFTDGP-JKALPCAWSA-N 374.396 3.236 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccncc2)cc1 13812812 HODLBUCUCVZQQM-UHFFFAOYSA-N 367.352 3.357 0 1 FGAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)c(OC)c1 13828745 LPEHKDQJGCYKSV-UHFFFAOYSA-N 368.418 3.026 0 1 FGAF COc1cccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c1 169310924 QSMQIUOIOYWSMD-UHFFFAOYSA-N 366.465 3.039 0 1 FGAF COc1ccc(CNC(=N)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1 1857574367 RGKXFQBAAXGKNA-SFHVURJKSA-N 355.413 3.092 0 1 FGAF O=C(Nc1ccccc1C(=O)NCCc1ccccn1)c1ccccc1F 1857572883 YOORVSZUNBCMAO-UHFFFAOYSA-N 363.392 3.446 0 1 FGAF CCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 1487133 MNHRKQKSNCFFOW-UHFFFAOYSA-N 367.428 3.469 0 1 FGAF Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)NCCN(C)C)(C4)C2)C3)cc1 1510410 SBUSMVQQRPYJAD-OTXOEQGISA-N 355.526 3.446 0 1 FGAF NS(=O)(=O)c1ccc(-c2ccc([C@H]3OC(=O)c4ccccc43)cc2)cc1 1911576872 XCFVYTWWBGQZPB-LJQANCHMSA-N 365.410 3.261 0 1 FGAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)N1CCOCC1 4208255 AOIVFNZFUKLXNN-IEBWSBKVSA-N 370.836 3.291 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cncnc2NCc2ccccc2)c1 4257382 ZLQYZARNDOBIQY-UHFFFAOYSA-N 354.435 3.127 0 1 FGAF Cc1nnn(C23C[C@@H]4C[C@H](CC(C(=O)NC5CCCCCC5)(C4)C2)C3)n1 100292663 JQBFSFXEBLXODQ-JZFKGDSASA-N 357.502 3.116 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)C1=C(O)OCC1=N2 101271288 RUFRGBFWGWTXGX-SFHVURJKSA-N 367.357 3.450 0 1 FGAF COc1cc(C2=C(O)C3=C4C(=CC(O)=C[C@@H]4OC=C3)O2)cc(OC)c1O 2356834152 JZWQESBEIGGLKP-LBPRGKRZSA-N 356.330 3.215 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085412 GTLDTJGRSPNARD-INIZCTEOSA-N 372.494 3.408 0 1 FGAF CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cccs2)cc1 43171626 YOZUMMLBLHMQSX-HZPDHXFCSA-N 351.493 3.225 0 1 FGAF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 82145062 JCODIDCENFEOTG-UHFFFAOYSA-N 370.497 3.311 0 1 FGAF COCCn1c(CC(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187406 QAVPIDOMXFYELP-UHFFFAOYSA-N 371.460 3.465 0 1 FGAF O=C1CC[C@@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1 143335295 TVQVOQYCUOVNMU-BBATYDOGSA-N 363.335 3.123 0 1 FGAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1 95555091 PJWXGJMLDUIEPG-KRWDZBQOSA-N 373.478 3.183 0 1 FGAF Fc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1 95555509 KKIVWQQSFDGQSG-UHFFFAOYSA-N 356.364 3.464 0 1 FGAF in-vitro Cc1ccc2[nH]c(C[C@@H](NC(=O)c3ccc4ccccc4c3)C(=O)O)nc2c1 299834427 XUQLGNSZNDHHEM-LJQANCHMSA-N 373.412 3.450 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Cl)c1)(C(O)O)O2 587374787 JQSMQLMSAUYYGB-KRWDZBQOSA-N 368.216 3.055 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587194835 PAZDOISXOKWYDK-UHFFFAOYSA-N 368.185 3.435 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cccnc2n1 587588238 PXUJYBDPWUXFKM-VQIMIIECSA-N 359.341 3.138 0 1 FGAF O[C@H](c1ccc(Br)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586997808 VGELWSDVBWWURG-SECBINFHSA-N 373.132 3.168 0 1 FGAF CCCc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587561838 WZSDSACSBPBISU-UHFFFAOYSA-N 353.378 3.073 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C3CC3)C(=O)C2)N1 587768229 LWLGPEKWGHYXJF-BTDLBPIBSA-N 367.262 3.103 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NC(C)(C)C2)N1 587794298 LVILTYWXYSLXNO-JDNHERCYSA-N 355.251 3.006 0 1 FGAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587051110 USQYJTQTGANYPR-UHFFFAOYSA-N 356.769 3.173 0 1 FGAF COC(=O)c1ccnc2[nH]c(COc3cccc(OCC(C)C)c3)nc12 587565850 LGMFANLKOURTBX-UHFFFAOYSA-N 355.394 3.358 0 1 FGAF COc1ccc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427803 GDZFGJOZMNELHI-GNSZUVKESA-N 365.429 3.422 0 1 FGAF Cc1ccnc2c1CCN[C@H]2c1cccc(OCCCN2CCCC2)c1 963073598 WBXLYESMMBWJNV-NRFANRHFSA-N 351.494 3.490 0 1 FGAF COc1cccc(N2CCC3(CC2)c2ccsc2CCN3C(N)=O)c1 962695943 DHGLQAXXYZOSSB-UHFFFAOYSA-N 357.479 3.189 0 1 FGAF COc1ccc([C@@H](F)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 13438917 HXCANBPCZKWFKE-SFHVURJKSA-N 368.408 3.442 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=N[C@@H]3CCCC[C@H]3NC(=O)C2)cc1 169713866 GNUCRCVOUVVVDU-QZTJIDSGSA-N 373.460 3.349 0 1 FGAF CCOC(=O)[C@H]1C(c2ccccc2)=NC(=S)N[C@H]1c1cccc(OC)c1 169726032 ICHYZHZZUDJRPQ-WMZOPIPTSA-N 368.458 3.293 0 1 FGAF Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21 1857746293 QPTLAOOZWOLYLB-UHFFFAOYSA-N 360.417 3.302 0 1 FGAF Cc1ccc2c(c1)nc1n2[C@H](CNCc2nc3ccccc3n2C)COC1 2356320715 FRKHQCWAXUOJKM-OAHLLOKOSA-N 361.449 3.093 0 1 FGAF Cc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3ccccc23)cc1 3063774 BVSSDSFWGNAVGY-UHFFFAOYSA-N 373.412 3.281 0 3 FGAF C[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 29237922 BIZMIUGITFUEIN-LSYTXIAXSA-N 353.462 3.047 0 1 FGAF O=C1NC[C@H](C2CCN(c3ccccc3)CC2)N1c1ccc2nc[nH]c2c1 116193784 ORHXOPCPCOZZEF-HXUWFJFHSA-N 361.449 3.378 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](O)[C@@H]2O)C1 2356480214 UHSXDCKLIKSRBX-KWHXHVTNSA-N 350.499 3.293 0 1 FGAF O=C1CN(c2ccccc2)c2nc(Nc3ccc(C(=O)O)cc3)ncc2N1 29042601 SKRVVXGFPQYDSS-UHFFFAOYSA-N 361.361 3.009 0 1 FGAF O=C(NCc1ccccc1)c1cnc2nc(Br)ccc2c1O 28526116 DQOVJFGLWVQOBQ-UHFFFAOYSA-N 358.195 3.028 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 199266851 JFAHESNWERTQFK-GDBMZVCRSA-N 360.454 3.167 0 3 FGAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 40413302 ITFLOJJAVYXCTM-OAHLLOKOSA-N 354.458 3.043 0 1 FGAF CC(C)Cn1ncnc1-c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2 95584117 VUWJKFVIFGXVMU-UHFFFAOYSA-N 368.462 3.363 0 1 FGAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(O)c(=O)c2c1O 238786615 YLINWDDTMHXFTD-UHFFFAOYSA-N 370.357 3.497 0 1 FGAF C#C[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C3(C[C@H]2C1)OCCO3 33715599 MQTQESZYELRKMR-XLJOKAOBSA-N 372.505 3.316 0 1 FGAF biogenic CCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593675 MPHDWKZAXSVQDW-YLJYHZDGSA-N 356.374 3.456 0 1 FGAF CC(C)OC(=O)C1(c2nc3c(Br)ccnc3[nH]2)CC(F)(F)C1 587130152 FPVXVMGQFYVZLN-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF Nc1ccnc2[nH]c(-c3cc(I)ccc3Cl)nc12 587182615 KRWOHJWHUSKANC-UHFFFAOYSA-N 370.581 3.465 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(C)c2)(C(F)F)N1 587716900 KFXPPURFZHLPJQ-AYVTZFPOSA-N 374.204 3.365 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C(F)(F)C1 587133088 WNIBTEXJLFLYEE-SNVBAGLBSA-N 363.368 3.409 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N2CCOCC2)N1 587769436 BAOWWIXFFGSALP-VHLZKBKHSA-N 369.278 3.184 0 1 FGAF CC(=O)[C@@]1(c2cccc(Cl)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023843 IHBWFKNBXAASGV-RBZFPXEDSA-N 354.837 3.226 0 1 FGAF CCc1ncc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)s1 962966880 AZYBVNDJBDYFIE-XPTSAGLGSA-N 358.797 3.325 0 1 FGAF COCCNC(=O)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829103 LBXBAZUHXKXJHD-FJJYYWMZSA-N 371.399 3.420 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc([S@](=O)c2ccc(Cl)cc2)cc1 169318959 SHRNAQHJYLQJNR-OYLFLEFRSA-N 367.898 3.244 0 1 FGAF CN1CC[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)Cc3ccccc3)C[C@H]1C2 169366619 IRLRCXSDYSNISD-ZRCGQRJVSA-N 364.489 3.246 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@H]2[C@H](O)C[C@@H]34)C1 152946578 GRBKKDAJSTUFHP-JGWZFYFLSA-N 359.510 3.050 0 1 FGAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCOCC3)cc2n1 1857580130 UZDVXPXNFPZFKV-UHFFFAOYSA-N 371.437 3.034 0 1 FGAF NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)[C@H](C3CC3)NCC4)nc12 1857652467 OWOZSIHFAFXWTN-AWEZNQCLSA-N 356.426 3.126 0 1 FGAF CC(C)(Cc1ccccc1)N[C@@H](CO)c1ccc(O)c2nc(O)ccc12 1857768533 IWFKBGORXVKRTD-KRWDZBQOSA-N 352.434 3.290 0 1 FGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2c1 2356301632 CEDXGUYZQGRIQG-VQIMIIECSA-N 355.413 3.311 0 1 FGAF Nc1ncnc2c1c(-c1ccc(Br)c(O)c1)nn2C1CCC1 8581907 HRRMXIICSWVXIS-UHFFFAOYSA-N 360.215 3.269 0 1 FGAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)cc1 100912792 SUQNPPWHLMFZBZ-YMGBCCQXSA-N 362.267 3.488 0 1 FGAF COc1ccc([C@@H]2CC[C@H](OCCCn3c(C)nnc3C)O2)cc1OC 29316804 MIYGHOXHROYWHR-QFBILLFUSA-N 361.442 3.197 0 1 FGAF Cc1cccc(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)c1 20179036 SSQOPCFKSUCLLV-YQVWRLOYSA-N 357.498 3.174 0 1 FGAF CCNC(=O)Nc1ccnc2cc(-c3ccc(OC)c(OC)c3)cnc12 117570941 XVYCWTBCNHCOBJ-UHFFFAOYSA-N 352.394 3.455 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356493655 ANOICLBSJIMQTA-XLAORIBOSA-N 350.455 3.027 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2cc1C 2356738249 ACZJPTFHOSIMOY-QFBILLFUSA-N 354.429 3.314 0 1 FGAF CN(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 38156022 QYKBEJIHKYFJQV-HNNXBMFYSA-N 359.369 3.282 0 1 FGAF COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1C 70454440 ACMJXJPDWRQIPO-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic,in-vitro CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O 71318817 DCGYGKIBQOAKTB-QGZVFWFLSA-N 351.425 3.221 0 1 FGAF CCOc1ccccc1-c1ncnn1-c1cc(OC)c(OC)c(OC)c1 49071909 NJSQPSGRSXYMNH-UHFFFAOYSA-N 355.394 3.359 0 1 FGAF Cc1cc(N)nc(CCc2cccc([C@@H](N)Cc3cc(C)cc(N)n3)c2)c1 98208179 HPGDXHOKQNTRIC-FQEVSTJZSA-N 361.493 3.286 0 1 FGAF in-vitro COc1ccccc1OCCNC(=O)c1ccc(OC)c(OCC2CC2)c1 473151253 OQGGZFUFTHCRMG-UHFFFAOYSA-N 371.433 3.301 0 1 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)N[C@H](CO)CC(C)C)[C@H](CC)C1 36367549 GMLSNKCWIYMGPT-QRVBRYPASA-N 368.562 3.355 0 1 FGAF biogenic COc1ccc2c(c1)C=C[C@@H](c1ccc(O)c(C(=O)CCO)c1OC)O2 95586438 FJRLGZIVEMDILD-SFHVURJKSA-N 356.374 3.121 0 1 FGAF biogenic COc1cc(Cn2ccc3cccc(OC)c3c2=O)cc(OC)c1OC 653771347 WPSPDMKJQBVUKI-UHFFFAOYSA-N 355.390 3.084 0 1 FGAF Nc1ccccc1-c1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 653831306 IUMHAHIOGIRMGX-UHFFFAOYSA-N 359.842 3.438 0 1 FGAF O=C(O)c1cc(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c12 587139983 CAGHYUGYFDSXSW-UHFFFAOYSA-N 365.158 3.322 0 1 FGAF COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1C 586920010 CTMDYXHZUUFIOS-UHFFFAOYSA-N 370.474 3.385 0 1 FGAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587388435 BTVWRDXBFKNEEC-LJQANCHMSA-N 358.394 3.118 0 1 FGAF CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522225 KJQSESYAEBAUSX-RTWAWAEBSA-N 374.433 3.174 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)O)(c1ccccc1)CC2=O 587488959 LNRXVNBVGSCCRY-OAQYLSRUSA-N 368.385 3.249 0 1 FGAF Cc1ccc2c(ccc3nc(-c4sc(NS(C)(=O)=O)nc4C)[nH]c32)n1 586950826 DFVXHHPTETZQJD-UHFFFAOYSA-N 373.463 3.223 0 1 FGAF N=c1nc(O)c2nc(CCCCCCCCCCCCC(=O)O)[nH]c2[nH]1 587957185 HYARCKHHDLKWHW-UHFFFAOYSA-N 363.462 3.389 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(OC(C)C)cc2[nH]1 587230963 KSCMEHIGUQMFKT-CVEARBPZSA-N 359.470 3.387 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCn2cncn2)N1 587758940 JUIMBPLSWZBFIC-ZUZCIYMTSA-N 353.239 3.019 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ncc(-c2cccnc2)o1 963641519 XKAWYPBMWYJFMC-HXPMCKFVSA-N 351.406 3.377 0 1 FGAF Cc1ccn2c(Br)c([C@@H]3NCCc4ccc(O)cc43)nc2c1 963352969 OATKDCBOKKRTBP-OAHLLOKOSA-N 358.239 3.346 0 1 FGAF COc1ccc(-c2cc3ccc(N4CCNCC4)cc3c(O)n2)cc1OC 1857602419 MJAIWQCUBJLVJW-UHFFFAOYSA-N 365.433 3.034 0 1 FGAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1nccs1 1857631828 OKKAXNUQSAKQCM-LBPRGKRZSA-N 360.464 3.014 0 1 FGAF O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1 3955756 XECHAZCQAIEAAX-UHFFFAOYSA-N 371.506 3.153 0 1 FGAF CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)cc2C[C@@H]1C 6730191 LGIGEQRVHXOBOR-GRDNDAEWSA-N 364.511 3.231 0 1 FGAF O=C(NCCOc1nc(N2CCCC2)nc2ccccc12)C1CCCCC1 1911579371 VTYODSFNZGRLSU-UHFFFAOYSA-N 368.481 3.305 0 1 FGAF O=C(Nc1ccccn1)N1CCN(c2ccccc2C(F)(F)F)CC1 28111280 ZGCMMCUKGSPHFH-UHFFFAOYSA-N 350.344 3.455 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cccc(C)c3)CN1CC2 28821845 RQVOZSFAHBOBFK-AABGKKOBSA-N 352.478 3.426 0 1 FGAF COc1cc2c(C)[nH]c(=O)c(NC(=O)Nc3ccccc3)c2cc1OC 28110915 OIIHDUYCMJHFAY-UHFFFAOYSA-N 353.378 3.498 0 1 FGAF COc1cc([C@@H]2CN=C(c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518526 QJYKAMGSDSQWLJ-SFHVURJKSA-N 356.422 3.297 0 1 FGAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2cncnc2)C=C1C 2356705773 DCHMEPRMQDZOGD-JZXOWHBKSA-N 359.470 3.014 0 1 FGAF O=C(c1ccco1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64549402 ZQTMZGRHYCEEOE-UHFFFAOYSA-N 374.868 3.440 0 1 FGAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc([C@H]3CCCNCC3)n2)cn1 216483784 KPQCOYIDZWONGI-HNNXBMFYSA-N 373.464 3.073 0 1 FGAF O=C(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCCn2ccnc2)[nH]1 73222761 OEXZVQVAGWPDQJ-UHFFFAOYSA-N 370.840 3.110 0 1 FGAF COc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)ccc1O 49785530 JGOMOURYXGBGLP-HNNXBMFYSA-N 372.421 3.208 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)N1CCN(C)CC1 199245482 ATYDGXUKYCCVNS-NRFANRHFSA-N 365.521 3.491 0 3 FGAF O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)NC1(CCC1)C(=O)N2 96258743 HKPBUNKDZWSYGC-UHFFFAOYSA-N 369.808 3.197 0 1 FGAF c1ccc(-c2cc(-c3nnc4n3N=C(c3ccncc3)CS4)n[nH]2)cc1 653823192 XWNUPPQOQUEWGH-UHFFFAOYSA-N 359.418 3.088 0 1 FGAF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3cc(F)ccc23)n1 587636131 RLBYNMXIJUIFGD-UHFFFAOYSA-N 359.357 3.155 0 1 FGAF COCCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756137 QZHYHNULUNSCTK-BMIGLBTASA-N 368.250 3.055 0 1 FGAF CCOC(=O)[C@]1(c2cc(F)cc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385744 PNKTZEWANGXWBP-LJQANCHMSA-N 361.344 3.279 0 1 FGAF CN1CCN(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587105781 HXWJCBVCOZKRAK-UHFFFAOYSA-N 357.457 3.236 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)ncn1 587868308 KBWURLRKJQYZKT-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(CC4OCCO4)[nH]c3c2)cc1 586908335 NAPJFDLAFFQGBY-UHFFFAOYSA-N 354.362 3.057 0 1 FGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587614856 DDOVJFQUVWBTCQ-VQIMIIECSA-N 366.325 3.475 0 1 FGAF COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc(OC)c1O 587787132 ZZKXZEBTHQTNMV-UHFFFAOYSA-N 368.162 3.249 0 1 FGAF COc1ccc([C@]2(C3CCOCC3)NCCc3c2c(C(C)C)nn3C)cc1 962915473 ABDMPSFMKNWUAA-JOCHJYFZSA-N 369.509 3.368 0 1 FGAF CC(C)(CN1CCCC1)[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962765821 NOFQDCRPXSZQFC-HZPDHXFCSA-N 354.416 3.495 0 1 FGAF CC[n+]1cc(C)cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651185 IMQZOGAWEKOKKA-OAQYLSRUSA-N 361.465 3.406 0 1 FGAF O=C(c1ccccn1)N(CCO)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 206062916 ZHZLWQYDBGAAKU-FQEVSTJZSA-N 372.428 3.182 0 3 FGAF CCCCC[C@@H](O)/C=C/C=C/C=C/C=C/[C@H](O)[C@H](O)CCCC(=O)O 4556658 IXAQOQZEOGMIQS-VXEIXCCASA-N 352.471 3.129 0 1 FGAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(C)c2)cc1OC 1911580031 YUPBXQKAEOMSIK-DLBZAZTESA-N 356.418 3.292 0 1 FGAF Cc1c(CN(C)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 3814855 JHSUWQJDEDXPGP-UHFFFAOYSA-N 363.252 3.441 0 1 FGAF Clc1ccc2c(-c3ccccc3)cc(CCN3CCNCC3)nc2n1 103278470 ZROHHWACVXZPSX-UHFFFAOYSA-N 352.869 3.398 0 1 FGAF CC(=O)NC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1 27642365 UYCWOLBMJBUWFS-UHFFFAOYSA-N 358.441 3.383 0 1 FGAF O=C(c1cccc(Cl)c1)[C@@](O)(Cn1cncn1)c1cccc(Cl)c1 26014316 URYVKOHIIZNIEO-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccco2)c1C 114078935 RPXMSPHMCUCZNH-UHFFFAOYSA-N 352.438 3.270 0 1 FGAF CC(C)CCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 26379389 FXDQYOUVTVOTJN-OAQYLSRUSA-N 363.461 3.379 0 1 FGAF COc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)[nH]n1 61927329 FKOLBAPYBSGYQV-UHFFFAOYSA-N 368.368 3.435 0 3 FGAF CC(C)C(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185740 IFWUNRPPHCMQDX-IBGZPJMESA-N 374.435 3.081 0 1 FGAF COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1OC 40919185 UVENYMMUFIZZMB-UHFFFAOYSA-N 359.332 3.373 0 1 FGAF COc1cccc2c1N(C(C)=O)C13CCC4(CCCN5CC[C@]21[C@@H]54)CC3 32134789 PGRMOTGVMPDJPT-ZGJBTBESSA-N 352.478 3.480 0 1 FGAF biogenic COc1ccc(-n2ncc3c(=O)n(-c4ccc(F)cc4)c(C)nc32)cc1 473247254 CKIUEGVIGZEHOC-UHFFFAOYSA-N 350.353 3.028 0 1 FGAF C[C@@]1(c2c[nH]c(=N)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330554 CAGLJYLASHOCKO-APWZRJJASA-N 354.337 3.206 0 1 FGAF Cn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587556053 NJDVPDCHYMQYCE-HNAYVOBHSA-N 372.327 3.248 0 1 FGAF O=C(CCN1C(=O)c2ccccc2C1=O)Cc1cc2c3c(cccc3n1)CC2 587212389 OTGVJGWWVOTJGJ-UHFFFAOYSA-N 370.408 3.131 0 1 FGAF Oc1nc(S)nc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587074455 APWBHEBEBMQUIB-LLVKDONJSA-N 361.858 3.338 0 1 FGAF O=C(c1ccc(Cl)nc1)c1c(CO)oc2cc(Br)cnc12 587277104 ZXYVEXWDJGLQQN-UHFFFAOYSA-N 367.586 3.362 0 1 FGAF COC(=O)c1ccnc2[nH]c(C/C=C/c3ccc(OC)cc3OC)nc12 587929732 PEQOLZMNMHPOIE-SNAWJCMRSA-N 353.378 3.018 0 1 FGAF O=NCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587191306 YAJORZQLUJQSGV-UHFFFAOYSA-N 364.146 3.496 0 1 FGAF O=C(O)c1cccnc1SCc1nc2ccnc(Br)c2[nH]1 586967346 UUQONESHGGZGAX-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF N[C@H](N=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006634 MOJAPENXMUNEIY-CQSZACIVSA-N 371.198 3.364 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Oc1ccccc12 587606490 DHFUDXMIQYMPKW-DYESRHJHSA-N 360.321 3.168 0 1 FGAF Cc1nc2ccccc2nc1[C@@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963022721 HIXYRCNTFMUOBH-PEBXRYMYSA-N 358.445 3.255 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1nc2c(O)cccc2n1C 963066033 LGKNGGRWTJQBRZ-JOCHJYFZSA-N 374.444 3.245 0 1 FGAF CN1CCC(c2c[nH]c3c[nH]/c(=N\C(=O)c4ccc(F)cc4)cc23)CC1 13523588 XDVPDQGJTQDXRK-UHFFFAOYSA-N 352.413 3.185 0 1 FGAF CCc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651150 ULJXODXJWGKJLI-FQEVSTJZSA-N 361.465 3.177 0 1 FGAF Cn1nccc1-c1cc(N2CCCC2)c2nnn(-c3cccc(O)c3)c2c1 1857614870 LQEWFOCYACUNCI-UHFFFAOYSA-N 360.421 3.127 0 1 FGAF COC(=O)c1noc(C)c1-c1ccnn1C(=O)Nc1cccc(Cl)c1 1857621343 VJVVXZCJLOGXTL-UHFFFAOYSA-N 360.757 3.367 0 1 FGAF CSc1ncccc1C(=O)OCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 3233132 LBCQHZZBHNPKDB-BFUOFWGJSA-N 362.495 3.388 0 1 FGAF NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1 3654276 JWRVAQSHXHPOHJ-UHFFFAOYSA-N 369.229 3.406 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1cccnc1 4057361 QTDRDNOQHMFTSZ-WVMBZCLNSA-N 374.400 3.037 0 1 FGAF COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(N)=S)cc1OC 6411754 HLPODFJXOOBSPL-BEFAXECRSA-N 367.474 3.271 0 1 FGAF COc1ccc2c(c1)C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)CO2 8598137 IMKYKKPFAAQDBA-CYBMUJFWSA-N 362.813 3.482 0 1 FGAF CC(C)CCNC(=O)CN1C(=O)c2cccnc2Sc2ccccc21 8605739 YBTHNTZHUPHFTP-UHFFFAOYSA-N 355.463 3.355 0 1 FGAF O=C(c1ccccc1F)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290559 WNWRMDOIEZSXCI-CQSZACIVSA-N 358.344 3.336 0 1 FGAF C[C@@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)NC1CCCCC1 102485941 IYEOWXOQPABEOU-LLVKDONJSA-N 355.467 3.387 0 1 FGAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccs2)cc1 64559375 BXILYZVQYKOJEX-SJORKVTESA-N 364.536 3.141 0 1 FGAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](OC)[C@@H]1OC(=O)CN(C)C 2356702668 OZPUDNHYNHCYDF-NRDMVMEKSA-N 365.514 3.369 0 1 FGAF O=C(c1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1)N1CCCC1 66112683 UHTWSBHKNUALPU-UHFFFAOYSA-N 365.355 3.200 0 1 FGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(C(N)=O)(CC1)CC2 34947170 LJXXAAVCYKDWBK-UHFFFAOYSA-N 364.873 3.192 0 1 FGAF COc1cc2c(c(OC)c1OC)CCCN1CCC3=CC[C@@H](OC)C[C@]321 14929810 RDCFGNICVFXARK-VFNWGFHPSA-N 359.466 3.295 0 1 FGAF biogenic COCCCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O 45355881 NSOLGCWVMPGQSG-PRDNPTHXSA-N 370.486 3.167 0 1 FGAF O=c1cc(O)n(CCc2cc(Cl)cc(Cl)c2)c(=O)n1C1CCCC1 96270109 CWGFXIPYXJODMX-UHFFFAOYSA-N 369.248 3.380 0 1 FGAF O=c1cc(-c2ccc(-c3ncco3)cc2)[nH]c2c(-c3ccccn3)cnn12 653677634 AIBMQMQAZAZRFV-UHFFFAOYSA-N 355.357 3.407 0 1 FGAF CC(=O)C(C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811858 HXSHMCKEZGXEFZ-BCTVWOGZSA-N 356.235 3.132 0 1 FGAF O=C(O)c1cc(F)cc2nc(-c3ncc(Br)cc3F)[nH]c12 587156172 XVNFOZWHNOKAKK-UHFFFAOYSA-N 354.110 3.364 0 1 FGAF CN1CC[C@](C)(O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586987719 DDRSANMOJCEYAW-HJPURHCSSA-N 374.440 3.322 0 1 FGAF CCCc1nc(-c2nc3nc(Cl)ncc3[nH]2)nn1-c1ccccc1F 587155957 JRHKIBKBEBXGRG-UHFFFAOYSA-N 357.780 3.346 0 1 FGAF C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342786 HGOIQYZYGNTYBJ-CECALHEMSA-N 367.376 3.046 0 1 FGAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587586447 CGDKZWUQFDTXGZ-MAUKXSAKSA-N 351.314 3.121 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1 586916929 ITGMPOCIZRRSPG-LRDDRELGSA-N 351.472 3.129 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccccc1N1CCOCC1 963638698 UNPZDJHWQNBWPT-OYHNWAKOSA-N 368.477 3.164 0 1 FGAF O=C1O[C@H](c2ccccc2Cl)CN1c1cccc(N2CCNCC2)c1 169347327 ZQDZOAYNWRSFDS-SFHVURJKSA-N 357.841 3.448 0 1 FGAF COCCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166712315 GUXJNXZRIXVTOB-UHFFFAOYSA-N 371.412 3.092 0 1 FGAF Oc1nc(N2CCC3(CC2)CNc2cccc(F)c23)nc2c1CCCC2 1857555439 ZHQHQOFGNSFGMK-UHFFFAOYSA-N 354.429 3.164 0 1 FGAF NCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)n2ccnc2n1 1857618642 MAXAZEQPVLQWQR-UHFFFAOYSA-N 359.389 3.233 0 1 FGAF COc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 1857638776 NNHDUKMWAHHKKT-UHFFFAOYSA-N 368.462 3.139 0 1 FGAF O=C1N(Cc2nc3ccccc3n2CCCCO)c2ccccc2C12CC2 1857746369 KCDYBMIWTBTXIO-UHFFFAOYSA-N 361.445 3.387 0 1 FGAF COC(=O)[C@]1(C)C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 1857747648 AWPHSBYPGIJGCC-XWJTUFPQSA-N 364.482 3.244 0 1 FGAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@@H]3CNCCC3(F)F)nc12 1911576377 QFKVQAHXWNDICZ-QGZVFWFLSA-N 372.419 3.189 0 1 FGAF COC(=O)C=Cc1ccc(OC)c(Oc2ccc(C(=O)O)cc2OC)c1 2356306621 ORKGAMKYIZZYEV-UHFFFAOYSA-N 358.346 3.381 0 1 FGAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 58581692 QAECXSGXRBCERJ-FSTCNJTKSA-N 362.495 3.133 0 1 FGAF CC(=O)N[C@H]1C[C@@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 101634493 OEPMKSHSBUZDIB-IYARVYRRSA-N 362.433 3.057 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@@H]2C[C@@H]([C@H]1C)C2(C)C 100682685 SLKDSLAWMQSCJY-RWBGONCASA-N 369.527 3.134 0 1 FGAF CNc1cc(OC)c(C(=O)NCCN(C)Cc2ccccc2)cc1Cl 28236092 KRSFBEIFMWEIMZ-UHFFFAOYSA-N 361.873 3.252 0 1 FGAF CC(C)(C)c1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 26738196 JZCVZKYSCVGFBH-UHFFFAOYSA-N 374.444 3.221 0 1 FGAF COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1 63540214 SDTHQOXRWZXTJF-UHFFFAOYSA-N 355.419 3.299 0 1 FGAF C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCSCC4)cc3n21 27526136 XYTMNDVPURKIKW-MRVPVSSYSA-N 366.439 3.016 0 1 FGAF CCOC(=O)[C@H](CO)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O 28873213 RTWTVNBPJQKUKN-SFHVURJKSA-N 355.434 3.407 0 1 FGAF O=c1oc(Cc2ccccc2I)nc2ccccc12 27733205 PNXOPVCYIODAON-UHFFFAOYSA-N 363.154 3.383 0 1 FGAF CCOC(=O)/C=C1\CN([C@H](C)c2ccccc2)S(=O)(=O)c2ccccc21 36378324 RUPYBEHTVBRXLZ-OVGFGYAMSA-N 371.458 3.399 0 3 FGAF O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 66112083 IHTVZEPWUCPDDH-UHFFFAOYSA-N 357.498 3.442 0 1 FGAF O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(OC(F)(F)F)cc21 64549396 JVBQEWCNVMAYJM-UHFFFAOYSA-N 365.263 3.043 0 1 FGAF CC(C)(C)OC(=O)NC[C@H](NO)c1c[nH]c2cccc(Br)c12 71340904 FBRMFEDCACINLR-LBPRGKRZSA-N 370.247 3.475 0 1 FGAF N=C(N)c1cccc(OCc2ccc(COc3cccc(C(=N)N)c3)cc2)c1 43068149 VZBYGTBFXAEWJT-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF Cc1ccccc1N1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1 45186734 MRTPDYAPKVLMPA-UHFFFAOYSA-N 370.884 3.262 0 1 FGAF COc1cc2nc(NCCCCO)nc(NCCC(C)C)c2cc1OC 82130568 KNJRAOYMTCZBJA-UHFFFAOYSA-N 362.474 3.289 0 1 FGAF COC(=O)/C1=C\CC[C@@](C)(O)/C=C/[C@]2(C(C)C)CC[C@](C)(O)[C@H](CC1)O2 199857746 OFJJTBHDOUZRJP-LSBQERGHSA-N 366.498 3.292 0 1 FGAF CC(C)NC(=O)[C@@]1(C)CSCC(=O)N1Cc1cccc(C(F)(F)F)c1 199231161 OTIGCTFBKSBGDL-MRXNPFEDSA-N 374.428 3.064 0 3 FGAF O=c1[nH]c2ccccc2cc1-c1nc2c([nH]1)CN(Cc1ccccc1)CC2 84586509 YMUAJVIQUBQCRB-UHFFFAOYSA-N 356.429 3.477 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4nc(C)c(-c5nc(C)co5)c4[nH]3)ccc21 143102936 BXYOBXSUOKTLFJ-UHFFFAOYSA-N 374.404 3.331 0 1 FGAF Cc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)no1 144573742 ZNKGJYXXNRUTPW-MRXNPFEDSA-N 368.393 3.166 0 1 FGAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@H]4CCCNC4)cc3)c12 96168366 VAMKICILLMHAOR-KRWDZBQOSA-N 363.465 3.377 0 1 FGAF O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2ccccc2F)O1)C1CCCCC1 95869398 VHFRBPBBWHTYOV-HOJAQTOUSA-N 360.473 3.254 0 1 FGAF Clc1cccc(N2CCN(c3noc(-c4n[nH]cc4Cl)n3)CC2)c1 473152326 SXBUSRVDQFLABC-UHFFFAOYSA-N 365.224 3.093 0 1 FGAF C[C@H]1C[C@@H](C)C[C@@H]([C@H]2C[C@@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H]1O 299816582 GZWODCBDYVQTID-JTGKUUOLSA-N 365.514 3.190 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(O)nc1 587862430 NPXWKZUCIMNFJX-UHFFFAOYSA-N 363.295 3.367 0 1 FGAF Brc1cc(/C=C\c2nc3cnncc3[nH]2)cc2c1OCCO2 587000648 JHKNFYMWJPNRDB-UPHRSURJSA-N 359.183 3.057 0 1 FGAF O=C(O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587610047 PHPCQOPPPLEGIU-WCKOCXJASA-N 354.358 3.367 0 1 FGAF O=C1CCc2cc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3cc2N1 587091245 HLSDSAKXGNDDHQ-UHFFFAOYSA-N 362.311 3.451 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)c2)N1 587748146 VCHHBMLHTFYKRC-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF COc1cc(C2(c3nc4nc(Br)c[nH]c-4n3)CC2)ccc1C 587925288 LDFYRHDVFBRTLR-UHFFFAOYSA-N 359.227 3.464 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]ccc2=N)N1 587748983 ZFWJKXYAYSFRTL-FVMDXXJSSA-N 350.235 3.193 0 1 FGAF CC(C)[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582372 PAEDLVUHCHQTIN-FXAWDEMLSA-N 365.389 3.040 0 1 FGAF CCCn1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699546 PDSLXKIPYXUPAB-CABCVRRESA-N 371.334 3.139 0 1 FGAF CCOC(=O)OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1OC(=O)OCC 13783113 NPGAEJRNYJYPMA-HRCADAONSA-N 350.367 3.398 0 1 FGAF Cc1cccn2cc(-c3ccc(OCCCN4CCOCC4)cc3)nc12 13819580 JEEPTNKNIKVCGN-UHFFFAOYSA-N 351.450 3.411 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169304285 RWBGTUPTUTZUOU-NELSSCAASA-N 369.505 3.452 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1OC(=O)[C@](C)(O)[C@@H]12 153224284 OMIIAMVKAQNJCI-UCPMTLBXSA-N 360.494 3.213 0 1 FGAF COc1cccc([C@H]2C[C@@H](c3cccc(OC)c3OC)n3ncnc3N2)c1 2916018 KJJPULLLRRJHLC-SJORKVTESA-N 366.421 3.450 0 1 FGAF CCc1cccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c1 6772558 OTRPLFCQDGTZFS-UHFFFAOYSA-N 367.478 3.445 0 1 FGAF CN(C)CCCO[P@](=O)(O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 103250459 SVIIGFSSOGLWPP-UHFFFAOYSA-N 374.374 3.481 0 1 FGAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)cc1 58569507 OIQVVMKIRCJNFA-QGZVFWFLSA-N 350.443 3.242 0 1 FGAF O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114711210 NMRCIXCOZCASLP-UHFFFAOYSA-N 355.482 3.440 0 1 FGAF CC(C)(C)c1ccc(CNC(=O)Cc2ccc(NS(C)(=O)=O)cc2)cc1 28455893 GCTZZMBHJPBNMT-UHFFFAOYSA-N 374.506 3.215 0 1 FGAF NC(=S)Nc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 73196789 RQOXUPSDPKKLGM-UHFFFAOYSA-N 370.459 3.367 0 1 FGAF C[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H](O5)C1=O 40646075 BIZMIUGITFUEIN-AEEFJYCBSA-N 353.462 3.047 0 1 FGAF Cc1nc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)co1 146165448 XXLOHULFDLSOBC-FGDXXIHYSA-N 365.405 3.296 0 1 FGAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC1CCCCC1 95568692 OAHWRCXNKMILJZ-FQEVSTJZSA-N 353.470 3.139 0 3 FGAF COc1ccc(Cc2nnc(Cn3sc4ccccc4c3=O)o2)cc1 95594756 LBIGFZJIJMKCFK-UHFFFAOYSA-N 353.403 3.094 0 1 FGAF CC1(C)O[C@@H]2Oc3ccc4c(=O)cc(-c5ccccc5)oc4c3[C@@H]2[C@H]1O 59729649 XBKLVCYSINXGAW-RLLQIKCJSA-N 350.370 3.432 0 1 FGAF biogenic COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587453409 YWQAACFKJICFJE-KGWSRGFLSA-N 350.370 3.059 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc4cc(OC)ccc4n1C)[C@@H](C2)C3=O 587429375 BWZYXDBIGSBCKY-DJJJIMSYSA-N 350.374 3.079 0 1 FGAF CC(=O)Nc1ccc(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587050897 SBLTYUXWVBFMQV-UHFFFAOYSA-N 366.606 3.346 0 1 FGAF N=c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c[nH]1 587081931 YOXVOZOWPKAUGT-UHFFFAOYSA-N 361.796 3.401 0 1 FGAF Nc1c(-c2nc3c(O)ncnc3[nH]2)sc2cc(Br)ccc12 587031359 NDPZUVMZUSYFRU-UHFFFAOYSA-N 362.212 3.285 0 1 FGAF CCOC(=O)[C@@H](c1ccccc1)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440264 FSIYXKGJEVYRHR-BPAFIMBUSA-N 352.386 3.158 0 1 FGAF COc1ccc(-n2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587433197 WFHBRKDIHIRMJF-DYESRHJHSA-N 362.385 3.378 0 1 FGAF COc1cc(-c2nc3ccnc(Br)c3[nH]2)cc(OC)c1O 587786870 SAXIJLAUGFUJNA-UHFFFAOYSA-N 350.172 3.110 0 1 FGAF O=C(Cc1ccccc1)NCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587228397 KSJPEFOOYDLSKN-UHFFFAOYSA-N 351.303 3.021 0 1 FGAF CC(C)(CO)[C@@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586900686 JIHCQFZDTXODRM-JTQLQIEISA-N 367.165 3.396 0 1 FGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(O)ncnc4[nH]3)c2C1 587034609 PZDVRUJCVUZAAV-UHFFFAOYSA-N 373.438 3.080 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587031910 NJWBYHQFTBLPCJ-UHFFFAOYSA-N 373.459 3.401 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1 586942013 ZMAYJDUYTUNYNW-SREVYHEPSA-N 362.842 3.010 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(N)=O)s2)N1 587849218 RGYNIDMUVLACFT-UOWDBTKRSA-N 369.259 3.372 0 1 FGAF COC(=O)c1cccc(NC(=O)C[C@@]2(C)NCCc3ccc(F)c(C)c32)c1 962095744 WJUZRPKBHVTBFF-OAQYLSRUSA-N 370.424 3.310 0 1 FGAF O=C(N[C@H]1CCc2cccc(Br)c21)[C@@H]1COc2ncccc21 1772653227 NZCFDDMETPJUAL-OCCSQVGLSA-N 359.223 3.124 0 1 FGAF COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3O)SC2)c1 13828747 ACDHZWGXEKUUJN-UHFFFAOYSA-N 368.418 3.026 0 1 FGAF COc1cccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)c1 169715451 VJXQHMLSJYZWBU-CWTRNNRKSA-N 373.405 3.209 0 1 FGAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(=O)O 4556659 IXAQOQZEOGMIQS-OFAAZSKWSA-N 352.471 3.129 0 1 FGAF COC(=O)N1CCC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)CC1 4238048 DSYFXOQORDEALD-UHFFFAOYSA-N 361.442 3.172 0 1 FGAF CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1 4964963 HWOIELWOPXIQAW-MRXNPFEDSA-N 372.494 3.189 0 3 FGAF COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)s1 6049105 FAESMIOOIUAHQR-MRXNPFEDSA-N 357.435 3.332 0 3 FGAF COc1ccc(C[C@@H]2CO[C@H](OC)[C@@H]2Cc2ccc(O)c(OC)c2)cc1O 2356422390 BHZULQULDFGRFF-ZOCZFRKYSA-N 374.433 3.135 0 1 FGAF C/N=c1\c(NS(=O)(=O)c2cc(C)cc(C)c2)c(O)oc2ccccc12 103673376 VUPFJXYFENDQFH-MNDPQUGUSA-N 358.419 3.087 0 1 FGAF Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 101285208 XJRNFGBWDPSCST-XNTDXEJSSA-N 369.347 3.378 0 1 FGAF O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2 28885729 ZZGMDVZBHCTYDZ-UHFFFAOYSA-N 355.869 3.269 0 1 FGAF C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C1(c2ccccc2)CC1 61929381 SRFNRXHNKYBGEX-OAQYLSRUSA-N 374.444 3.224 0 3 FGAF COc1ccc2[nH]c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1 29135643 ZLUFKYFXPFPLAE-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF CC1(C)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 27846707 BSFJQDAYVBKHBC-PNZTVRLKSA-N 353.462 3.047 0 1 FGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1 118619828 SOMLCVOFFCJGNU-IRXDYDNUSA-N 361.380 3.094 0 1 FGAF Clc1ccc2nc(N3CCNCC3)c3nnc(-c4ccccc4)n3c2c1 26375498 RUBWYYUOLIOABC-UHFFFAOYSA-N 364.840 3.008 0 1 FGAF COc1cc2ccc(=O)oc2cc1OCC=C(C)[C@H](O)CCC(C)(C)O 2356504323 MJQRENNKEPLHRN-OAHLLOKOSA-N 362.422 3.039 0 1 FGAF COc1cc(C(=O)c2c[nH]c(-c3ccc(O)cc3)n2)cc(OC)c1OC 64511788 XSVSJXLXPOVVLC-UHFFFAOYSA-N 354.362 3.039 0 1 FGAF CC[C@@H](C)C(=O)O[C@@H](C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 33832573 XTGDSJYAIZDVKJ-BZNIZROVSA-N 358.390 3.327 0 1 FGAF biogenic CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccccc3)nn2)ON1C 73199194 JSVCQNCIHPICGB-HZPDHXFCSA-N 366.358 3.303 0 1 FGAF CO[C@@]1(C)CC[C@@]23O[C@@H]1C[C@@]2(C)CC[C@@H]3[C@H](C)CO[C@@H]1CCC(=O)O1 139480761 JZLCLJJMCZVNMU-BHJGDWCPSA-N 352.471 3.445 0 1 FGAF CC(C)=CCC/C(C)=C/COc1ccc(C[C@@H]2NC(=O)[C@H](C)NC2=O)cc1 137057730 WNQHFIWBXDAPMW-YSDUMNIHSA-N 370.493 3.304 0 1 FGAF COc1c(Cc2csc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 84712856 NHRZQSVHOYTKHE-ZDUSSCGKSA-N 373.455 3.394 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)O 587829073 VUDUDLWDINMVOO-KXSVJGSUSA-N 366.230 3.224 0 1 FGAF CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343816 KRPFKZDKAAGSAP-IBGZPJMESA-N 369.392 3.271 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c[nH]nc32)N1 587793027 JGBMOZUOVMPRGZ-FVMDXXJSSA-N 350.235 3.425 0 1 FGAF CCCn1cnc2cc(-c3nc4c(O)ncnc4[nH]3)cc(Br)c21 587004637 WVNLNBUMMRPIGA-UHFFFAOYSA-N 373.214 3.248 0 1 FGAF COC(=O)c1cccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 587038909 CBOHQIDRBPAHKY-LBPRGKRZSA-N 363.439 3.332 0 1 FGAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC 587925211 KBGNBFVFFQELCQ-UHFFFAOYSA-N 367.405 3.086 0 1 FGAF COc1nccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168146 SXMMXQAHAZNCQP-CQSZACIVSA-N 355.373 3.475 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587401163 SYTIHKHSNWUFMW-CBLJQSSYSA-N 358.438 3.311 0 1 FGAF CCOCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)o1 586902529 FSBBHDUFOOKWHM-UHFFFAOYSA-N 365.393 3.419 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Cl)ncnc3[nH]2)cs1 587014442 QFYREYXXKFGBNF-UHFFFAOYSA-N 366.834 3.155 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1oc(C)nc1C 587868477 MGZKIRKLVCREDP-UHFFFAOYSA-N 366.299 3.266 0 1 FGAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CO1 587209654 RRKSATSAXUSRPC-GOSISDBHSA-N 359.381 3.451 0 1 FGAF CC(C)OC(=O)C1(c2nc3cncc(Br)c3[nH]2)CC(F)(F)C1 587130659 NOGCTHCGUGGYGF-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF COc1ccc([C@]2(CCCC(=O)O)NCCc3c2sc(C)c3C)cn1 963032868 VPCWIKGPMHIEGG-IBGZPJMESA-N 360.479 3.413 0 1 FGAF COc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 5834957 NJSPNPARGYCXSG-UHFFFAOYSA-N 352.434 3.444 0 1 FGAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCc2[nH]cnc2C1)CCC3 13817863 AECKIVMAUDSDRJ-NRFANRHFSA-N 350.466 3.165 0 1 FGAF NCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)n2)c1 584594240 ZOATTXXRBUVVPC-UHFFFAOYSA-N 361.401 3.087 0 1 FGAF Cc1c(Cl)ccc(O)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2356336512 NYMYHEPTIAYLKM-OAHLLOKOSA-N 372.808 3.261 0 1 FGAF CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1 2972877 APFLWOVHANLUQH-UHFFFAOYSA-N 373.428 3.480 0 3 FGAF c1ccc(-c2ccc(CN3CCOC[C@@H](Oc4cnccn4)C3)cc2)cc1 2356287879 RDEBBJGARKPARZ-NRFANRHFSA-N 361.445 3.423 0 1 FGAF COC(=O)c1ccccc1NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2 6772311 FVIAGJOQMCEMKH-UHFFFAOYSA-N 357.406 3.234 0 1 FGAF COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(Cl)cc1)c(=O)n2C 100817853 SFCHSIVDVGXLFS-UHFFFAOYSA-N 372.808 3.183 0 1 FGAF CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@H]2C[C@H]2C1=O 103260427 JFRUETNFZHUWLL-VQTJNVASSA-N 367.493 3.285 0 1 FGAF S=C(NCc1ccco1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100975234 AJOICXJHYCHWDK-QZTJIDSGSA-N 355.507 3.439 0 1 FGAF CCOC(=O)C/N=c1\nc(-c2ccccc2)n(-c2ccc(OC)cc2)s1 101506416 KPMHCZAGUIRIMS-FMQUCBEESA-N 369.446 3.073 0 1 FGAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1[C@H](c1ccccc1)NC2 27329177 JYWGTDFHZDSBJH-IBGZPJMESA-N 353.857 3.175 0 1 FGAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61908727 GHXRYHZFQJPZIC-KRWDZBQOSA-N 372.387 3.235 0 3 FGAF COc1ccc(S(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)cc1 28524814 NXBZWDDWZYTGEZ-UHFFFAOYSA-N 368.458 3.264 0 1 FGAF C=C(c1c(C)c(C)cc(Cl)c1OC[C@@H](O)CNC(C)C)n1ccnc1 33886633 UOUFRBKRLMKLHS-INIZCTEOSA-N 363.889 3.410 0 1 FGAF CCCCN1C[C@@H](CSC)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O 72136692 UUGHQANEKWDSNT-WMLDXEAASA-N 364.511 3.262 0 1 FGAF Cc1noc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224558037 FLERGTTUKCWYJC-UHFFFAOYSA-N 355.373 3.403 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)N[C@@H](CO)CC(C)C 25428231 BUWYGYAYWANLSX-MISYRCLQSA-N 374.525 3.088 0 1 FGAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(O)c(OC)c3c1[C@@H](C2)N(C)CC3 238763661 VLTJEKYYMZWBER-CQSZACIVSA-N 371.433 3.179 0 1 FGAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CNC(C)C 95871822 OZVTWVUHIGYHME-BHDDXSALSA-N 370.468 3.166 0 1 FGAF CCOC(=O)Cc1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166971 LOFUYFVMVYLGGH-KTKRTIGZSA-N 367.380 3.460 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c(C)[nH]c3ccccc13)O2 587397138 TXBKWZULSBDSAM-HXUWFJFHSA-N 350.374 3.312 0 1 FGAF O=C1C[C@H](c2nc3ccnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587150852 UTDMKXVCEPWMPB-JTQLQIEISA-N 362.767 3.406 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)O2 587401165 SYTIHKHSNWUFMW-RRBXVBTKSA-N 358.438 3.311 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCOc1ccccc1C(N)=O)O2 587389233 JMQHXULUNQOAJG-OAQYLSRUSA-N 368.433 3.259 0 1 FGAF O=C1c2ccccc2C(=O)N1[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212796 QYKWFTGIKYTHII-CQSZACIVSA-N 354.409 3.487 0 1 FGAF O=C(O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587610045 PHPCQOPPPLEGIU-DBCMNUGHSA-N 354.358 3.367 0 1 FGAF O=C(O)c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F 587091203 GMMPSPJEEJABDS-UHFFFAOYSA-N 355.247 3.403 0 1 FGAF Cc1cc2c(Br)ccc(-c3nc4c(O)nc(O)nc4[nH]3)c2o1 587004691 YVYVXOABNWJNJU-UHFFFAOYSA-N 361.155 3.248 0 1 FGAF CCn1ncc2cc3nc(c21)CCCOC[C@H](c1ccccc1)NC(=O)N3 1772593792 GSTLERVYSDFBNK-QGZVFWFLSA-N 365.437 3.277 0 1 FGAF Cc1ccc(OCc2cc(C(=O)NCc3cc(F)ccc3C)no2)cn1 11937768 BGRWNYJHNUMJBC-UHFFFAOYSA-N 355.369 3.335 0 3 FGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCCC(C)C)N(C)[C@@H]31 12509962 DYGXQRQTIDQEEG-KFKAGJAMSA-N 354.498 3.190 0 3 FGAF CC[C@@H]1C/C=C/Cc2ccccc2[C@@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 169293255 GQHJEOPNYJIXRG-RZQFOOHQSA-N 358.434 3.099 0 1 FGAF O=C(O)CCCCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164834784 XTPKAUNJQQPQDG-UHFFFAOYSA-N 355.369 3.354 0 1 FGAF Cc1cccc(N=c2cc(C(F)(F)F)nc(SCC(=O)O)[nH]2)c1C 1857591174 WZOZBMNOZRXHLN-UHFFFAOYSA-N 357.357 3.454 0 1 FGAF CCc1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl 1857748117 CKMBZHIXVDVBQE-UHFFFAOYSA-N 355.873 3.105 0 1 FGAF COc1ccc(CNC(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)cc1 1911578252 GOSPADRDCDMOCY-MRXNPFEDSA-N 353.249 3.188 0 1 FGAF COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc(C)c(OC)c2)ccc1C 2356395964 XZMJVNBHYBOCGF-WOJBJXKFSA-N 358.478 3.323 0 1 FGAF Cc1nc2cnc(Oc3ccccc3)nc2n(Cc2cccs2)c1=O 4238639 MFSKGAOXCOHWCE-UHFFFAOYSA-N 350.403 3.397 0 1 FGAF Fc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cncnc3)cc2)c1 100107962 CGRVLYNUZIZELK-KOUNCHBCSA-N 360.436 3.223 0 1 FGAF O=C(CO)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1 26672352 HQQZASMQMFTHCA-UHFFFAOYSA-N 357.797 3.055 0 1 FGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@H](C)[C@@H]2C(=O)[C@@]2(O)C[C@@H](CC(C)C)NC2=O)C1 2356866635 WGUBLCYMEGYPMR-HZWJSBNPSA-N 359.510 3.406 0 1 FGAF COc1ccc(Cc2c3c(OC)c(OC)c(OC)cc3cc[n+]2C)cc1 33833879 AZGCZIGARDCCNC-UHFFFAOYSA-N 354.426 3.290 0 1 FGAF biogenic,in-vitro O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 74378657 UVMYVXGBFJWQIA-BBRMVZONSA-N 362.763 3.493 0 3 FGAF O=C(Oc1ccc(Br)c(Cl)c1)N1CCN2CCC1CC2 38444564 ABBQLVQJXBDEIM-UHFFFAOYSA-N 359.651 3.381 0 1 FGAF O=C1[C@@H]2CN(CC3CCCCC3)CCN2C(=O)N1[C@H]1C[C@@H]1c1ccccc1 72177620 OSCWCEOAPXDBLA-AABGKKOBSA-N 367.493 3.071 0 1 FGAF COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)cc(OC)c1 40402758 IPAVXHROMCZEEK-INIZCTEOSA-N 369.425 3.155 0 1 FGAF COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O 95560309 KNGBZHZRBXFQLV-UHFFFAOYSA-N 365.408 3.296 0 1 FGAF O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95894476 ZQELZTZCKCWGIN-BHDDXSALSA-N 362.473 3.162 0 1 FGAF Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H](O)[C@H]2c2cc(O)cc(O)c2)cc1 473087025 JPFNVFORTNBLEH-IRFCIJBXSA-N 366.369 3.177 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587043055 PBXOPBOMGSNUEF-CYBMUJFWSA-N 361.467 3.344 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@H](C(=O)O)NC[C@@H]31 587106056 HUSXGAASZLQGOY-QURLWZIUSA-N 370.408 3.149 0 1 FGAF Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C 587759302 ZYDZXXDWFAVALO-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(CCO)ccc2[nH]1 587150181 QFWBCOSYUNEKBL-UHFFFAOYSA-N 354.360 3.443 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426227 BEMILUBISFLRTN-IIBYNOLFSA-N 370.376 3.430 0 1 FGAF COC(=O)/C(=C/N(C)C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988767 QDQNHKXMXOXQBZ-RVDMUPIBSA-N 374.396 3.227 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1coc4cc(F)ccc4c1=O)[C@@H](C2)C3=O 587429435 VOHDVYQFGWYEKM-RNODOKPDSA-N 352.317 3.429 0 1 FGAF CCOc1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1C 587779593 BACSWGRIZWUVQK-UHFFFAOYSA-N 359.451 3.187 0 1 FGAF COc1ccccc1NC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587392377 YLSFUJJGOVNYLH-HXUWFJFHSA-N 354.406 3.339 0 1 FGAF O=C(c1ccccc1N1CCCC1)n1ncc2ccc(Cl)cc2c1=O 587654695 NCBQUEJGGPDYGN-UHFFFAOYSA-N 353.809 3.339 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Cl)cn1)O2 587379200 GLNYMBUOVJZSTQ-GOSISDBHSA-N 360.797 3.351 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3cnc4ccccc4c3[nH]2)CC1 586952599 JHYIYAUGFBDLTQ-UHFFFAOYSA-N 358.467 3.109 0 1 FGAF CC(=O)n1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c2ccccc21 963527774 QRJZJCSNFZVDAY-PXNSSMCTSA-N 364.401 3.004 0 1 FGAF O=S(=O)(c1ccccc1)c1cnc2c(F)cccc2c1N1CCOCC1 1772620686 WETHSTURIQMURH-UHFFFAOYSA-N 372.421 3.043 0 1 FGAF Cn1cncc1CNC(=O)c1ccc(-c2cccc(C3CCNCC3)c2)cc1 1772610674 QDKKZHBTEKWDLP-UHFFFAOYSA-N 374.488 3.484 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H]([C@@H](O)C[C@@H]12)[C@H]43 1772623944 HVKJQYVMNVVMDN-FAEZHWHUSA-N 360.450 3.431 0 1 FGAF O=c1c2c(oc3ccc(O)cc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857576428 LMMYSTVYVHTIKG-FSPMTTQMSA-N 366.461 3.124 0 1 FGAF CN=c1[nH]c(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857636181 FYSLUTGZWHZPCX-UHFFFAOYSA-N 357.439 3.133 0 1 FGAF CC1=CN2C(=O)[C@@](Cc3ccccc3)(NC(=O)c3ccccc3)N=C2C=C1 6806664 JLRAZTXVFQLETF-JOCHJYFZSA-N 357.413 3.070 0 1 FGAF C[C@@H]1C(=O)[C@@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)[C@@H]5OCCN5[C@H]1O[C@H]3C[C@@H]24 2356444104 KMPKDIXKHRSLMM-AANPODJFSA-N 357.494 3.201 0 1 FGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2cccs2)CC1 117392232 UVDRIPUOESLUDZ-CYBMUJFWSA-N 369.490 3.028 0 1 FGAF Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@]1(C)C(=O)NCC(C)C 61898468 ZDNFQJNNURQKHO-QGZVFWFLSA-N 371.403 3.176 0 3 FGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@@]1[C@@]3(O)[C@@H]2CNC1CCCCC1 2356557606 UXYDDBLZCKSNAL-HTORSTFSSA-N 366.505 3.082 0 1 FGAF c1ccc2c(c1)CC[C@H](COc1ccc(OCCCc3nnn[nH]3)cc1)N2 34335604 QMUVTSFXSBWKRF-MRXNPFEDSA-N 365.437 3.017 0 1 FGAF COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C(C)C)c1 40402388 BTBQTWVIVOSWJB-UHFFFAOYSA-N 359.455 3.414 0 1 FGAF CNCCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O 49035645 OWEYOMCWVMSOQF-UHFFFAOYSA-N 363.458 3.024 0 1 FGAF COc1cc2c(c(OC)c1)C(=O)N(c1cccc(C(F)(F)F)c1)C(=O)C2 96929800 DKCBRSLOKNVBPM-UHFFFAOYSA-N 365.307 3.452 0 1 FGAF CS(=O)(=O)NC(=O)c1cc(Cl)c(COC2CCCCC2)cc1F 261109304 HVBZFRQYRHLJBM-UHFFFAOYSA-N 363.838 3.018 0 1 FGAF COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1OC 587928104 WPJGVZMETJQYHF-UHFFFAOYSA-N 353.378 3.140 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084730 FUODEVFYHDDPKZ-UHFFFAOYSA-N 358.810 3.079 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(OC)n1C)CC2=O 587460825 KETAVFXHTWNRDV-ZDUSSCGKSA-N 350.802 3.447 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)OC(C)C 587867469 FKRZGTZCQNJFIJ-SNVBAGLBSA-N 357.332 3.426 0 1 FGAF COc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202534 JCWYTIJDGNPQLX-INIZCTEOSA-N 369.377 3.014 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(OC)cc1)CC2=O 587484100 WFBZQLLCZAXMJF-FQEVSTJZSA-N 356.374 3.299 0 1 FGAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@H](C)C(=O)O 587401173 QQDPPYBAYCSTNG-PIGZYNQJSA-N 371.389 3.144 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)sc3c1CCN(C)C3)O2 587415556 USUASCUDXQBMDE-IBGZPJMESA-N 357.479 3.089 0 1 FGAF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587637422 COOMTXNGKKLLDX-UHFFFAOYSA-N 351.362 3.385 0 1 FGAF COc1ccc2c(c1)[C@]1(C(=O)Nc3cc(F)c(F)cc31)N(C(C)C)CC2 962088278 FUTGIDPVJIIYAJ-FQEVSTJZSA-N 358.388 3.436 0 1 FGAF COC(=O)C[C@@H](C(=O)OC)[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962659935 BIKVNBQUXSHZEW-SIKLNZKXSA-N 367.445 3.067 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)C[C@]2(C)C[C@](C)(C1)[C@@H](O)NC2=O 5813164 QVECYZNLDSHKCT-RYFAJOAYSA-N 366.461 3.429 0 1 FGAF COC(=O)CCCCOc1ccc2cc(Br)c(=O)oc2c1 169341098 ZJIZQBVCVPOEBV-UHFFFAOYSA-N 355.184 3.278 0 1 FGAF Cc1nc(-c2ccccc2F)c2c(N3CCc4ncccc4C3)ncnn12 169711779 IKBJWZVPIGLJJW-UHFFFAOYSA-N 360.396 3.197 0 1 FGAF C[C@H]1CN(C(=O)Cc2ccccc2)CCN1C(=S)Nc1ccc(F)cc1 1857557518 SBHKQPAABMHILW-HNNXBMFYSA-N 371.481 3.298 0 1 FGAF COc1ccc2c(c1)O[C@H](COc1ccc(CCC(=O)O)c(F)c1)CO2 1857770406 QOXZMLZKTCPDMQ-OAHLLOKOSA-N 362.353 3.070 0 1 FGAF Cc1nn([C@@H](C)C(=O)N2CCCCC2)c(=O)c2c1sc1ccccc12 4103919 DOTOMXRXJJNUOG-ZDUSSCGKSA-N 355.463 3.493 0 3 FGAF COc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 7798763 BRAIMZHPAMGWOJ-UHFFFAOYSA-N 365.418 3.246 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@@](O)(Cn1cnnc1)c1ccc(Cl)cc1 26007054 SORUAGPBBWGLNK-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccccc1 118618680 JMRVJHACGJMVJK-DLBZAZTESA-N 361.380 3.094 0 1 FGAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 26749369 UKHOXDRZLIHDQY-FDCFBWIESA-N 359.378 3.227 0 1 FGAF COc1cc(C(=O)c2c[nH]c(-c3ccc(F)cc3)n2)cc(OC)c1OC 64528257 QRFMTLOQWFIWMH-UHFFFAOYSA-N 356.353 3.473 0 1 FGAF COC(=O)C[C@@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CCC1=O 2356616220 TVBNXKCHPMCKON-HXUWFJFHSA-N 364.438 3.094 0 1 FGAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]3CCCCN23)CCC1 2356655500 HTZABNNPQGCYSI-VNXMGFANSA-N 357.542 3.240 0 1 FGAF COCC=C(C)C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356711147 KOMLQPBMYPUDGX-ZBGUWCLVSA-N 352.515 3.071 0 1 FGAF COCCNC(=O)c1cccc(Nc2ncc(Br)s2)c1 34987291 JLTGNOUTGNZYHP-UHFFFAOYSA-N 356.245 3.025 0 1 FGAF COC(=O)C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40980303 NTLXNJQZMZRJAE-SFHVURJKSA-N 361.353 3.390 0 1 FGAF CS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O 40379550 DDTZWTBRUYDWQL-FPLPWBNLSA-N 355.213 3.011 0 1 FGAF O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CC[C@@H](N2CCCC2)C1 45389928 NUVVLNOBNYNPKB-HXUWFJFHSA-N 374.488 3.395 0 1 FGAF CC(=O)c1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45391924 AUWLLXNPZIFZHV-UHFFFAOYSA-N 358.401 3.204 0 1 FGAF O=C(c1ccc2ccccc2c1)c1nc2cc(N3CCNCC3)ccc2[nH]1 45244873 ZZFKJYYGGSJGHB-UHFFFAOYSA-N 356.429 3.357 0 1 FGAF Cc1cnccc1NC(=O)c1cc(-c2ccc(-n3cccn3)cc2)cnc1N 149904335 TYXXLNSGWOQLJI-UHFFFAOYSA-N 370.416 3.472 0 1 FGAF Oc1cc(O)cc(Oc2c(O)ccc(Oc3c(O)cc(O)cc3O)c2O)c1 238742776 ZDDFXRQPCHNIHG-UHFFFAOYSA-N 374.301 3.210 0 1 FGAF COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 253639131 PRYUUYRGVGJMAB-YXTQBTIXSA-N 366.461 3.332 0 1 FGAF O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2ccc(F)cc2n1O 377829982 ZIDRPSQFVBPLRD-UHFFFAOYSA-N 359.280 3.244 0 1 FGAF C1=CN2C=CC1=NCc1ccc(cc1)CN=C1C=CN(C=C1)CCOCC2 377853795 LZKIZNWRJKELIT-UHFFFAOYSA-N 360.461 3.285 0 1 FGAF CCOC(=O)[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O 587526219 SGOYCPGDFTUTFA-UTKZUKDTSA-N 358.434 3.448 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cnccn1)CC2=O 587469918 QBQXOAYFFXLCIL-OJLWIZQOSA-N 353.422 3.071 0 1 FGAF COc1ccc(C=O)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587786347 GDGIDVCIBRNLCS-UHFFFAOYSA-N 350.147 3.348 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(=O)O)cn1 587868964 YIVUKWSLQVUIQT-UHFFFAOYSA-N 364.283 3.055 0 1 FGAF COc1cc2c3c(c1)OC(c1nccs1)(c1nccs1)[C@@H](C2)C3=O 587453335 QGRJZAAWKVUHAB-NSHDSACASA-N 356.428 3.299 0 1 FGAF Brc1cc(/C=C/c2nc3ncc[nH]c-3n2)cc2c1OCCO2 587002519 VVATVCCHVVUSFU-OWOJBTEDSA-N 359.183 3.009 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cn1 587068319 QHLIDJDINDKATQ-UHFFFAOYSA-N 353.769 3.455 0 1 FGAF CCOC(=O)COc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398437 CSAAGXAXORYBGF-SFHVURJKSA-N 355.390 3.226 0 1 FGAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587576712 KGDLCZBGJKDLLF-PXNSSMCTSA-N 350.374 3.311 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1OC 587043829 NPUKNKQSCFSTAH-UHFFFAOYSA-N 369.402 3.069 0 1 FGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cncnc3[nH]2)c(C2CC2)n1 587232137 KZKHZWXRBWNHKS-UHFFFAOYSA-N 366.425 3.317 0 1 FGAF Cc1c(-c2nc3ncnc(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029364 MWYAVTUYRDVAPF-UHFFFAOYSA-N 358.814 3.156 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587042081 ICQBPQVIBOKUNE-GFCCVEGCSA-N 351.403 3.020 0 1 FGAF Nc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1C(=O)O 587248735 VHKBEZPZNMZMJE-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1C 587834410 RHFQJHCBIDBKNL-VVUUFUAXSA-N 356.235 3.289 0 1 FGAF Cc1ccc2c3c1N(CC31CC1)[C@H]2c1cn(CC(=O)OC(C)(C)C)cn1 963728693 HUMRXBYPKIGUMP-LJQANCHMSA-N 351.450 3.488 0 1 FGAF COc1ccc(CCN(C)c2nc3cc(Cl)ccc3c(=O)n2C)cc1 1772625654 DOXBSYPSXJIFQS-UHFFFAOYSA-N 357.841 3.274 0 1 FGAF Cc1c(Sc2ccccc2)n(C/C=C/c2cccnc2)c(=O)[nH]c1=O 5930278 LPZPIJGAMUQQSS-SOFGYWHQSA-N 351.431 3.105 0 1 FGAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H](C)CC(=O)O 13484342 BCXBTOCJMISERO-FIEGYAEPSA-N 350.455 3.164 0 1 FGAF COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1 13724730 XMUMUSIKSFUJSM-SFHVURJKSA-N 357.450 3.493 0 1 FGAF O=C1N=C2/C(=C/c3ccc(F)cc3)CNC[C@H]2[C@@H](c2ccc(F)cc2)N1 169729992 HJBLYLSJADESHN-OBNAIBOFSA-N 353.372 3.473 0 1 FGAF COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl 1857587194 CMQVUPMFAWVEQE-UHFFFAOYSA-N 372.812 3.202 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2cccc(OC)c2)nc2ccc(C)cn12 1857621372 GMATYSJCZPUCRE-UHFFFAOYSA-N 366.421 3.043 0 1 FGAF CC(C)Oc1cc(N2CCOC[C@@H]2C)nc2c(-c3cc[nH]n3)nccc12 1911582173 KHKWQJQESOKKHK-ZDUSSCGKSA-N 353.426 3.032 0 1 FGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@@H]1c1cn(C)c2ccccc12 2468750 OZTQFMXYOAPQEC-RTWAWAEBSA-N 373.456 3.367 0 1 FGAF COc1ccc2c(c1)C[C@H](NC(=O)Nc1cc(Cl)ccc1OC)CO2 8598133 IMKYKKPFAAQDBA-ZDUSSCGKSA-N 362.813 3.482 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(O[C@H]4CC[C@H](CO)CC4)cc3)nc2c1 101154532 PKRGVSAGNQDZDA-AKAXFMLLSA-N 365.433 3.259 0 1 FGAF CCOc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28522070 NEHNGJABCDLXJD-UHFFFAOYSA-N 370.430 3.095 0 1 FGAF O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28233285 RABWHDAIQITLEB-AIMAZDRCSA-N 353.415 3.004 0 1 FGAF Cc1ccc(OCCN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61907304 YRCTWBDQTCSQNO-NRFANRHFSA-N 368.433 3.206 0 3 FGAF O=[N+]([O-])c1cn2c(n1)O[C@@H](COCc1ccc(OC(F)(F)F)cc1)CC2 115608561 AKYSJCGKQJLIEI-GFCCVEGCSA-N 373.287 3.058 0 1 FGAF COC[C@H]1CCCN1C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@@H](C)O 2356543387 PMBGUKOWCAZNIX-BXUZGUMPSA-N 364.829 3.299 0 1 FGAF O=C(c1ccoc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64559886 SLIFLCGOQYVBQV-UHFFFAOYSA-N 374.868 3.440 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1 14644131 SGWLCEXRWADMOA-ZDUSSCGKSA-N 360.362 3.133 0 1 FGAF biogenic N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)O)cc2)c1)C(=O)O 45347625 HSDSNDNKMKXBJE-CYBMUJFWSA-N 354.189 3.313 0 1 FGAF COCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82139447 ISRPDNQAGYWBEK-UHFFFAOYSA-N 360.433 3.069 0 1 FGAF CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc[nH]2)c1 143355671 UJVBPOROGSKTNO-JTQLQIEISA-N 350.369 3.262 0 1 FGAF CC[C@]1(Cn2cncn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587762670 ZEUSFVKSHNFBAU-MEBBXXQBSA-N 353.239 3.019 0 1 FGAF NC(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587030085 ZZXBPGQVLQNHSZ-UHFFFAOYSA-N 350.403 3.364 0 1 FGAF Cc1cnc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587039593 ZIHUKORPMRQBNC-SNVBAGLBSA-N 354.439 3.014 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C 587831226 HKOKNKRZLHPJGI-YFESCLGYSA-N 356.235 3.289 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596149 UVKJTXCKIQKNLU-QROBEVECSA-N 354.358 3.066 0 1 FGAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(-c2ccccc2)cc1 587561305 PKQABWVSTUXLCS-UHFFFAOYSA-N 373.368 3.397 0 1 FGAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C 587579964 WKUXORHSDGHWIN-APWZRJJASA-N 350.374 3.445 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587202199 GOCZJDGTJARCSR-GFCCVEGCSA-N 374.784 3.054 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]nc3-c3cccs3)c3cccc1c32 963032911 VRNMJBKZSSNJHI-ADLMAVQZSA-N 350.447 3.281 0 1 FGAF CCOC(=O)CCCC[C@@]1(C(=O)OCC)NCCc2cc(C)c(F)cc21 962369997 CSFSIYOVFDNCPO-HXUWFJFHSA-N 365.445 3.162 0 1 FGAF CN1C(=O)C[C@H]2CN[C@](C)(c3cc(F)c(N)c(F)c3F)c3cccc1c32 963022915 HWJONLYMTCEAHL-UGZDLDLSSA-N 361.367 3.003 0 1 FGAF O=C(c1ccc(F)cc1)c1cc(C(=O)C(F)(F)F)n(-c2cnn(O)c2)c1 1772632863 NRHZBFBXLATHFC-UHFFFAOYSA-N 367.258 3.026 0 1 FGAF Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)s1 12591003 CVHZQSCPSRQTTB-INIZCTEOSA-N 374.481 3.293 0 3 FGAF Nc1cc2c(cc1Cl)NC(=O)Nc1cncc(n1)OCC/C=C\CO2 169295618 DSUIEFJZFWCWOF-UPHRSURJSA-N 361.789 3.074 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C)n3)C2)cc1 169709869 NFWFGSQFVYKLOZ-HNAYVOBHSA-N 368.481 3.002 0 1 FGAF O=c1n(-c2ccc(F)cc2)ccc2nc(COc3cccc(F)c3)cn12 203688251 KNQUJIDTGNNNGF-UHFFFAOYSA-N 353.328 3.342 0 1 FGAF CCOc1ccccc1CCn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857656663 YIGRHNBSMBEKHZ-UHFFFAOYSA-N 360.421 3.372 0 1 FGAF C/C=C1\NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O 1911579165 MMUBYWZLQCOOBD-WPYPGRIHSA-N 370.412 3.152 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3F)[nH]c2c1 2356302028 KEVMBXBSKKDPSR-MAUKXSAKSA-N 371.387 3.390 0 1 FGAF C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CCN(C)CC1 28816380 SJMBEOUPGLPONN-UXHICEINSA-N 366.505 3.187 0 1 FGAF C[C@@H](c1cccc(-c2ccccc2)c1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27185446 XRANYZPOLRGKGE-NTCOEUGSSA-N 353.418 3.221 0 1 FGAF N[C@H](CO)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 61906494 IWHAUUURPLOHPC-OAHLLOKOSA-N 368.462 3.370 0 3 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=S)N1 73311574 XLIBRUYPNKZAQR-QGZVFWFLSA-N 360.479 3.309 0 1 FGAF CN[C@@H]1CC[C@@]23[C@@H](O)[C@@H]4C=C[C@H]5C[C@]4(C)C[C@](O)(C5)[C@@H]2C[C@@]32CCC[C@@H]12 85547478 QDPANORNHMPXKQ-YDAIDQRWSA-N 357.538 3.259 0 1 FGAF biogenic,in-vitro CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 85950090 FPUHKQMDWMVBRI-CDAWJECPSA-N 368.477 3.264 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[C@H]2CCCCN2CC1 40466811 BHLFSULBTRYLAE-QWHCGFSZSA-N 351.878 3.068 0 1 FGAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccccc2C(=O)O)c1)C(=O)O 45394395 QBEOINRZIGMRMS-CYBMUJFWSA-N 354.189 3.313 0 1 FGAF COc1ccc(C(=O)c2ccc3c(c2)c(C=O)cn3C)c(OC)c1OC 95581727 LOHJFGJEYWMZJB-UHFFFAOYSA-N 353.374 3.248 0 1 FGAF O=C(O)C[C@H](NC(=O)c1cncc(N2CCCC2)c1)c1ccccc1Cl 261169293 SOJLRZUYQRGPMG-KRWDZBQOSA-N 373.840 3.281 0 1 FGAF CC(C)C[C@@H]1C(=O)N([C@H](CC(C)C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473197816 FZBQZAKEZMXGDP-GVDBMIGSSA-N 361.438 3.006 0 1 FGAF CC(C)[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197592 JIKQOAJENGPXCG-OAHLLOKOSA-N 371.445 3.103 0 1 FGAF Cn1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N 587343794 VJQDMNFPDXOEAN-FXAWDEMLSA-N 367.380 3.121 0 1 FGAF COC(=O)[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398106 BNACTQLKAKFKSB-XIKOKIGWSA-N 355.390 3.224 0 1 FGAF Cc1c(Cl)ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586939681 RCWRZRAONHHHDY-UHFFFAOYSA-N 352.847 3.207 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(C)(=O)=O 587873143 VUVNIOUOQCJLOP-UHFFFAOYSA-N 360.410 3.481 0 1 FGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587093836 HGZDEYJTTVXRPE-YFKPBYRVSA-N 351.231 3.014 0 1 FGAF Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2n1 586946124 RSJVZQIEIDPVGB-UHFFFAOYSA-N 374.447 3.066 0 1 FGAF COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649881 MJCXPCBTWBKZIO-UHFFFAOYSA-N 371.283 3.012 0 1 FGAF COc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587125783 UTBHGUOCPDXFJC-RDDDGLTNSA-N 352.320 3.138 0 1 FGAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(OC)c1O 962622813 CIYUEHJDFVZDLN-CWTRNNRKSA-N 373.449 3.392 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@@]31CCCc2occ(C(=O)O)c21 963033932 KRLPMBIHLQOQRD-NRFANRHFSA-N 364.401 3.260 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(C[C@H](O)c1ccccn1)N(C)[C@@H](C)C2 962642448 VBUSNCPHJLFZSO-XQAUZQBESA-N 356.466 3.314 0 1 FGAF CCc1c2c(nc3ccc4c(c13)OCCO4)-c1nc3ccccc3c(=O)n1C2 13828772 LGCINQPNMNXYHB-UHFFFAOYSA-N 371.396 3.307 0 1 FGAF CN(C)CCCN1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 169318078 IJSIBXVLNRATNY-FYYLOGMGSA-N 366.505 3.031 0 1 FGAF COC(=O)c1c(O)cc(O)c(CO)c1OC/C=C(/C)CCC=C(C)C 205003503 VBSHZLVYRHEDJB-JYRVWZFOSA-N 350.411 3.448 0 1 FGAF CN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 1857586403 XYXNDRMGQIINHD-UHFFFAOYSA-N 356.491 3.247 0 1 FGAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@@H](C(F)(F)F)CC3)c(=O)c2c1 1857599964 MGRWIWUIPXJPPB-KLPPZKSPSA-N 369.343 3.354 0 1 FGAF CN(C)CCOc1ccc(Nc2cc(-n3ccc4ccccc43)ncn2)nc1 1857627781 JCMNYBKEMOQWKZ-UHFFFAOYSA-N 374.448 3.500 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CCC1=C(C=CCC2=O)C(=O)OC1 1857743063 VGBNOFOWNHRFOS-QINHECLXSA-N 356.374 3.053 0 1 FGAF CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1 2975111 XEECIOKPNFRUJW-SFHVURJKSA-N 373.478 3.346 0 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COc1cc2c3c(c1)O[C@@H](c1cc(C)nc(N4CCCCC4)n1)[C@@H](C2)C3=O 587443917 MVELEHNZPSGJNO-MGPUTAFESA-N 365.433 3.273 0 1 FGAF C[C@@H]1CN(C2CC2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580733 DEUPFAYYNZBYIJ-LZHZSBQWSA-N 351.402 3.207 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccnnc1 587657036 QTGVBHHHHPBEAX-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554497 IEVZHEBKWRUVHR-LJHODMEESA-N 360.337 3.014 0 1 FGAF CCOC(=O)c1[nH]c([C@H]2NCCc3cc4cccc(OC)c4nc32)cc1C 963052729 GULHEZSEYKGZCP-HXUWFJFHSA-N 365.433 3.292 0 1 FGAF CC[C@H](C(C)=O)[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962677509 ZXWFNNGXHUNZPT-TYCQWZJGSA-N 354.450 3.164 0 1 FGAF COc1ccc(C(=O)N(OCc2ccc(Cl)cc2)[C@@H](C)C(=O)O)cc1 1772598254 BHTUOMIKMMUBMY-LBPRGKRZSA-N 363.797 3.396 0 1 FGAF Nc1ccc(C(=O)O)cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O 1772657135 BJCJBSRJAAVGCI-UHFFFAOYSA-N 371.396 3.392 0 1 FGAF Cn1c2c(c3ccccc31)CCN1C(=O)CN(C(=O)C3CCCCC3)C[C@H]21 5580074 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363.461 3.393 0 1 FGAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](Cc3ccccc3)O[C@H]2[C@@H]1OC 28571903 SCJILPRXNNGOJU-BTOHRNCKSA-N 370.445 3.141 0 1 FGAF C[C@H](c1cccc(-c2ccccc2)c1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27185439 XRANYZPOLRGKGE-DDDRJPGCSA-N 353.418 3.221 0 1 FGAF CN(C)C[C@H](COc1ccccc1CCc1ccccc1)OCCC(=O)O 29487858 MMXKPBKHJPPIGV-HXUWFJFHSA-N 371.477 3.272 0 1 FGAF CC(/C=C/C(=O)O)=C\[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 66100942 CFZXFZSDGGEROQ-NPWUIRHHSA-N 359.241 3.198 0 1 FGAF CO[C@]12C(=O)c3ccc4ccoc4c3O[C@@H]1COc1cc3c(cc12)OCO3 2356598199 IMCREKBHAGUBGZ-UZLBHIALSA-N 366.325 3.040 0 1 FGAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2=O 14762731 UQWHUIAIZPLDDZ-RTBURBONSA-N 370.401 3.292 0 1 FGAF biogenic COCCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187609 XVTSQDTULCCYDU-UHFFFAOYSA-N 355.417 3.144 0 1 FGAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1Cl 40897989 UZCKSUKPWOCZAS-KRWDZBQOSA-N 371.776 3.446 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3 40862568 CZYWWRRSTIZTFL-SBXZOHCASA-N 350.499 3.296 0 1 FGAF O=P(O)(O)O[C@H]1CC(c2ccccc2F)=Nc2cc3c(cc21)OCO3 49067499 PPSJOHMGLWYWEX-AWEZNQCLSA-N 365.253 3.229 0 1 FGAF O=C(Cc1ccc(F)cc1C(F)(F)F)N[C@H]1CCOc2ncccc21 146668906 MQMNSTAZZVVJFY-AWEZNQCLSA-N 354.303 3.422 0 1 FGAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CCC1=C(/C=C\CC2=O)C(=O)OC1 238752132 VGBNOFOWNHRFOS-AAQUOENBSA-N 356.374 3.053 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(CC(=O)OC(C)C)c1C)O2 587390733 NQWRYUAUILYHJD-KRWDZBQOSA-N 371.437 3.049 0 1 FGAF O=C1C[C@]2(CS(=O)(=O)c3ccccc32)Oc2c1ccc1c2CCCC1 587534508 ZNBXZPSQIVDWFK-HXUWFJFHSA-N 354.427 3.213 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCNC(=O)OCc1ccccc1)O2 587386458 JEXHYHSXIVJGFD-OAHLLOKOSA-N 354.406 3.228 0 1 FGAF CCOC(=O)Cc1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1 587242830 UIXVWSPJJATFSE-UHFFFAOYSA-N 351.406 3.218 0 1 FGAF Nc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1CC(=O)O 587250402 TTXLOBWSVBTORJ-UHFFFAOYSA-N 364.174 3.341 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(O)c(Br)c1)[C@@H](C2)C3=O 587412883 KBCTXRVZWGKOMI-BONVTDFDSA-N 362.179 3.047 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CCO)cc4[nH]3)cc2N1 587123307 HPOXYHUELFYIEQ-XPTSAGLGSA-N 365.359 3.269 0 1 FGAF COc1cc(NC(C)=O)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389271 JTNGLNBSHKTKOY-FQEVSTJZSA-N 354.406 3.425 0 1 FGAF C[C@@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C=C(c2ccccc2F)NO1 587157864 UTDWVSNYHPQRFH-HNNXBMFYSA-N 365.290 3.254 0 1 FGAF Cc1ccnc2c1CCN[C@@]21C[C@@H](OCc2ccc(CN)cc2)C12CCC2 963071634 KGVIYKIQNZQHQS-OFNKIYASSA-N 363.505 3.349 0 1 FGAF CCC[C@@]1([C@@H](CC2CC2)C(=O)OCC)NCCc2nc3ccccn3c21 962989260 ZKNLPTGPBLLEHB-KKSFZXQISA-N 355.482 3.455 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]32)c1O 1772582346 FCUJJUONMWBUFF-JFGNBEQYSA-N 372.874 3.148 0 1 FGAF FC(F)(F)CCNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772656975 NSKHCDHMYHLRKK-HAQNSBGRSA-N 366.391 3.421 0 1 FGAF NCCc1ccc(Oc2ccc(O)c(I)c2)cc1 13681017 HCYGDNGLWSZCCA-UHFFFAOYSA-N 355.175 3.290 0 1 FGAF in-vitro COC(=O)CN(C)C(=O)c1c(F)ccc2c(C(F)(F)F)c(OC)ccc12 13823625 UDVLSVOYTOAZHB-UHFFFAOYSA-N 373.302 3.251 0 1 FGAF CCc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1 205313358 PLRHWOWBKXRNJH-UHFFFAOYSA-N 373.464 3.024 0 1 FGAF CCCCCCc1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1cccc(Cl)c1 1857593048 JOIPPJIXWRGAKN-UHFFFAOYSA-N 359.861 3.197 0 1 FGAF CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N1C 103216528 OKUWLBJIDKQWBE-DOMZBBRYSA-N 368.865 3.337 0 1 FGAF O=C(O)C[C@H](Sc1ccc(NC(=O)[C@H]2CCCN2)cc1)c1cccnc1 27727828 NPZFAQDZBUZOJD-SJORKVTESA-N 371.462 3.080 0 1 FGAF N[C@H]1CC[C@@H](Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1 101419191 SEAHTYRLTWEUCM-HDJSIYSDSA-N 352.394 3.270 0 1 FGAF N[C@H]1CC[C@H](Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1 100382210 FGLRSCIZYHXTBC-GASCZTMLSA-N 369.517 3.445 0 1 FGAF COC(=O)C1=C(c2ccc(I)cc2)C[C@@H]2CC[C@@H]1O2 101019553 SIVVTQXNEALXFA-AAEUAGOBSA-N 370.186 3.169 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1OC 62224592 QVPAULIMOWOTHB-GOSISDBHSA-N 373.449 3.445 0 1 FGAF O=C(Cc1cccc(CN2CCCC2)c1)OC[C@H]1COc2ccccc2O1 26500319 GUGHTFGIFGORJK-LJQANCHMSA-N 367.445 3.208 0 1 FGAF COc1cc2cc3[n+](cc2c(OC)c1OC)CCc1cc2c(cc1-3)OCO2 40876367 PLZQQVPRVYQEMR-UHFFFAOYSA-N 366.393 3.105 0 1 FGAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)C1 82203919 ZATDNGGJPFESOO-ADHGMGHFSA-N 362.518 3.404 0 1 FGAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1 621430419 VYSZNQSEOPTSJL-GOSISDBHSA-N 351.402 3.289 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2[nH]c1=O 587872474 YHYCBQCNNXJUMZ-UHFFFAOYSA-N 350.353 3.314 0 1 FGAF COC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352424 OIBMRUJOOSNXRP-NDRIFHLMSA-N 356.349 3.212 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(N)=O)N1 587749641 PVEQUQXHNSBMAE-JDNHERCYSA-N 363.230 3.311 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)NC)CC2=O 587468234 CNSBLZUPRSVPLS-LJQANCHMSA-N 369.417 3.176 0 1 FGAF COC(=O)c1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615771 HEZAHEPVGUIYCS-HNAYVOBHSA-N 366.325 3.475 0 1 FGAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CCO)cc2[nH]1 587080203 NQUYCLYYQQLHGH-HNNXBMFYSA-N 354.841 3.475 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(O)cc1O)O2 587374982 AVRZZINROMFYEU-HNNXBMFYSA-N 364.195 3.457 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCC(=O)O)cc1)O2 587399320 IECVEIWDWNNWTG-HXUWFJFHSA-N 355.390 3.311 0 1 FGAF Cn1cc(-c2cc3ccccn3c2[C@@H]2NCCc3nc4ccccn4c32)cn1 962987193 UZTDLIDDFPJZEM-FQEVSTJZSA-N 368.444 3.223 0 1 FGAF CCCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 5819891 XCEYNQCFXXAOBL-UHFFFAOYSA-N 366.417 3.173 0 1 FGAF O=c1ccoc2cccc(OCCCN3CCN(c4ccccc4)CC3)c12 13860940 DSKKNPWNVCGPIN-UHFFFAOYSA-N 364.445 3.384 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@@H]3CN4C[C@@H](C)[C@H](CC[C@@]31CO)[C@@H]42 169363067 QXIYBJSJMAMZDQ-BTBKJPGASA-N 373.537 3.395 0 1 FGAF O=c1scc(O)n1CCCCCCNC[C@@H]1CCc2ccccc2O1 169725364 ARHJQEBWDUYAPL-INIZCTEOSA-N 362.495 3.159 0 1 FGAF CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1 1857639675 HGFHSXDDULLHEJ-UHFFFAOYSA-N 364.449 3.288 0 1 FGAF Cc1cc(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc12 1857644528 DHNKOQROFNNYLW-UHFFFAOYSA-N 361.445 3.480 0 1 FGAF O=C(NN1C(=O)CS[C@H]1c1ccccc1F)c1nsc2ccccc12 1857772979 YYVQCRAODLQBAZ-KRWDZBQOSA-N 373.434 3.354 0 1 FGAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCOc1ccccc1 2468417 UKTJDGKUUJGQJX-NRFANRHFSA-N 368.433 3.021 0 1 FGAF C[C@@]1(C(=O)NCCOc2ccccc2)CON=C1c1cccc(Cl)c1 2471126 LIKJTAPOOKPRTR-LJQANCHMSA-N 358.825 3.276 0 1 FGAF CCOC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(Cl)cn1 26574220 CEVLDRPYJHBVNW-AWEZNQCLSA-N 363.870 3.196 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1cn[nH]c1C2(F)F 114840847 KSVGWDBXEILHPJ-OLZOCXBDSA-N 373.812 3.453 0 1 FGAF COc1ccc(/C=C/C(=O)N2C[C@H](CC(C)C)NC(=O)[C@@H]2CC(C)C)cc1 103267077 WMBAFDYXAFAZOW-QYLKWSRPSA-N 372.509 3.496 0 1 FGAF C[C@H](Cc1ccc2c(c1)OCO2)c1nc2c(cnn2Cc2ccco2)[nH]1 23541937 GZTYCZZGKXQHCQ-GFCCVEGCSA-N 350.378 3.476 0 1 FGAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1)Nc1ccccc1 26817126 NZYTYGFHNVTAIO-GOSISDBHSA-N 374.488 3.239 0 1 FGAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccccc1Cl 66252835 RTZPTMGDQILJSG-UYHISHBKSA-N 360.793 3.134 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 5189635 FFVRRQMGGGTQRH-HBMYEMETSA-N 354.450 3.042 0 3 FGAF biogenic CC[C@H](C)CCN1C(=O)[C@@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71333285 UMKRKRDQZNEOFO-LHSJRXKWSA-N 353.418 3.434 0 1 FGAF Cc1cc(C)cc(S(=O)(=O)N2CC(=O)Nc3ccc(Cl)cc32)c1 43023586 SAYUKQWCCVRWQC-UHFFFAOYSA-N 350.827 3.104 0 1 FGAF O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]nc1NCc1ccncc1 40866656 NMPGUZLHFICNGL-UHFFFAOYSA-N 362.315 3.083 0 1 FGAF COc1ccc([C@H](C)O)cc1CSc1nc2ccccc2n1CC(=O)O 84669993 ZHAJGDSYQBSPFF-LBPRGKRZSA-N 372.446 3.475 0 1 FGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2oncc2C1 40895642 SYVXHALPVYBOLF-NRFANRHFSA-N 368.525 3.066 0 1 FGAF in-vivo O=C(/C=C/c1coc2cc(O)ccc2c1=O)NCc1ccc(F)cc1F 95585949 SMCHMEPVIDKNKZ-QHHAFSJGSA-N 357.312 3.106 0 1 FGAF CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C)[C@H](O)C[C@H]21 238782741 UFINZJLXAKIFHN-NPXBQTALSA-N 362.510 3.460 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@@H]1C=CC[C@@H]2c3ccccc3COC[C@H]21 254130887 HLVBAEFCAASWFV-KZNAEPCWSA-N 358.434 3.235 0 1 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3NC(=O)N=C(N)[C@H]32)cc1 253917786 MIDSAJAJOYYSFS-DBXWQHBBSA-N 373.412 3.395 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586963597 OZYZBGKFGAZHNQ-LLVKDONJSA-N 362.386 3.448 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cccc3[nH]2)cc1 586936738 AEGNMJRYEPMFDR-GFCCVEGCSA-N 359.451 3.315 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109605 ZUNNUGUCIHHYEO-UHFFFAOYSA-N 355.341 3.437 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)c1ccco1)(c1ccco1)[C@@H](C2)C3=O 587456175 SFPZHMLZSTUIPD-RBZFPXEDSA-N 350.326 3.407 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccc(F)cc2)N1 587735500 QBSUVZQSGZLVRQ-BTDLBPIBSA-N 367.237 3.464 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)c1O 587870220 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LALWIWMPVDDDKI-UHFFFAOYSA-N 370.327 3.267 0 1 FGAF CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4[nH]ccc4c3)nn2)CC1 1911577023 SUYZMHUNOYPHIZ-UHFFFAOYSA-N 370.460 3.439 0 1 FGAF COC(=O)/C1=C\CC[C@](C)(O)/C=C/[C@@]2(C(C)C)CC[C@](C)(O2)[C@@H](O)CC1 199852589 VDWIZUGYFOMUJZ-ZZENBVKDSA-N 366.498 3.292 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@H](C2)N(CC2CC2)CC[C@]314 195291948 XNCWDLBBWYSKHK-RPMQRCSWSA-N 367.489 3.206 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2O[C@H]1[C@@H]1O[C@@H]12 253638620 UHWPQNIXJFNMHO-VXFCVSMKSA-N 364.482 3.466 0 1 FGAF CO/C(O)=C1/C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 618011663 MSKAFRMBWXTPHY-VVZNPABPSA-N 371.393 3.423 0 1 FGAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)c3ccccc3)co2)cc1OC 621431139 PZIBNWPLRGHDDJ-KRWDZBQOSA-N 367.401 3.427 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 299809135 HZCJHCKFTKJLFP-AJAKECSLSA-N 353.462 3.104 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCCCC1 587869993 RYSORQKALJCNCT-UHFFFAOYSA-N 368.359 3.099 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(Br)c2[nH]1 586961599 KHQSMACZUHATAA-ZCFIWIBFSA-N 366.244 3.257 0 1 FGAF CCOc1cc(C(C)=O)c(OCC)n1-c1cnc(C)c(Br)n1 587940725 LGSCUUWYFASQKE-UHFFFAOYSA-N 368.231 3.338 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3c[nH]c4c(C(=O)O)cccc34)c3cccc1c32 963034244 QYZRFFHYRLAKJX-GIPWTMENSA-N 361.401 3.009 0 1 FGAF CC(=O)N1C[C@H]2CC[C@]3(NCCc4c3c(C(C)C)nn4C)c3cccc1c32 962921600 UTIPVSJOOUOJAU-QRQCRPRQSA-N 364.493 3.177 0 1 FGAF COc1cc2c(cc1OC)[C@](C=C(N)N)(C1CCCCC1)N(C)[C@H](C)C2 962638034 OOGMCNQWSQBHDX-SZNDQCEHSA-N 359.514 3.115 0 1 FGAF O=C([C@H]1Cc2ccccc2[C@@H](c2cnc3ccc(F)cn23)N1)C(F)(F)F 962704836 DIRZLKCZXALBMW-CJNGLKHVSA-N 363.314 3.209 0 1 FGAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1F 1772616862 FXBHEWVXXMSNKS-UHFFFAOYSA-N 368.391 3.263 0 1 FGAF C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 5127587 PLVFGRLYLUMVCM-FHKHNKIZSA-N 362.473 3.215 0 1 FGAF CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(C)c1=O 13536175 KJTDCJXVQAZJKK-UHFFFAOYSA-N 359.470 3.399 0 1 FGAF N=C(N)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)O)CC3)cc2)cc1 13739726 BGOVEIBOODYIIF-OAQYLSRUSA-N 350.418 3.411 0 1 FGAF C1=CC2=Nc3cccc(c3)NC3=NC=CC(=Nc4cccc(c4)NC(=N1)N2)N3 1857630262 YUCPZKMLPFCKIU-UHFFFAOYSA-N 368.404 3.230 0 1 FGAF COc1ccc(CNC[C@@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 2356404335 KSPVMPYIIMQBIR-LJQANCHMSA-N 367.424 3.386 0 1 FGAF CC1=C[C@H](O)C[C@](C)(O)CC=C[C@H](C(C)C)CC[C@@](C)(O)[C@@H](O)CC1 2356455278 NANZSPCGNXRSPO-ALGQRKQJSA-N 354.531 3.339 0 1 FGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4049421 LGUXNDBLJVKJLI-PKOBYXMFSA-N 371.506 3.298 0 1 FGAF C[C@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 6494878 YBTZYMZAMUEVJB-HBNTYKKESA-N 360.406 3.189 0 1 FGAF Brc1ccccc1COc1ccc2c(c1)CCc1nnnn1-2 103217805 DXNDUHHZMVYCMN-UHFFFAOYSA-N 357.211 3.102 0 1 FGAF C[C@@H](NC(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F)c1ccncc1 102855065 DBDUBCKWYJFUGG-SNVBAGLBSA-N 357.364 3.349 0 1 FGAF Cc1c(C(=O)NCc2ccccc2)sc(=O)n1Cc1ccccc1F 61896265 UAPYCLNMHOXAIP-UHFFFAOYSA-N 356.422 3.336 0 3 FGAF O=C1O[C@@H](COc2cccnc2)CN1c1ccc(C2=CCOCC2)c(F)c1 27423839 WRFVOIQZLAUENI-QGZVFWFLSA-N 370.380 3.429 0 1 FGAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 61896053 GKTVVJAEVLFHPG-HXUWFJFHSA-N 362.518 3.248 0 3 FGAF O=C(Nc1nccs1)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 36383039 IJMPQQRUDLFZMT-BMFZPTHFSA-N 359.495 3.455 0 1 FGAF C[C@@H](CNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)c1ccccc1 33061154 MPVJIOSUTWSNQS-ZDUSSCGKSA-N 366.446 3.324 0 1 FGAF C[C@@H](Cc1ccc(OCC(=O)O)cc1)N1CCO[C@H](c2ccccc2)C1 40861704 IZMPUMMFBWYGIR-JXFKEZNVSA-N 355.434 3.155 0 1 FGAF CCCNC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCOC2 84602113 KJXQJKGIDTXDBB-SCRDCRAPSA-N 362.495 3.335 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)N[C@H]3CCNC3)ccc12 147342006 ZDOSUEBKHPEOCW-AWEZNQCLSA-N 367.478 3.231 0 1 FGAF COC(=O)[C@@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)OC2 238788342 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3.438 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(OC)cc1OC)[C@@H](C2)C3=O 587442123 IMGKDAUKQLZIHW-RNODOKPDSA-N 356.374 3.210 0 1 FGAF Cc1cc2c(cc1O)[C@@](c1cc(F)ccc1F)(C(C)C)N[C@H](C(=O)O)C2 963474125 USELMXCHLSNMRX-FXAWDEMLSA-N 361.388 3.477 0 1 FGAF c1ccc(CCNC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772575298 RAYNZHXRGJCCNG-UHFFFAOYSA-N 360.465 3.464 0 1 FGAF O=C(Nc1ccc(C(=O)N2CC[C@H](F)C2)cc1)N1Cc2ccccc2C1 166220734 GUMXLCQLALANGU-KRWDZBQOSA-N 353.397 3.418 0 1 FGAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@H]1N=CN2Cc1ccc2ccccc2c1 1857545247 XZEKVKMBTWCCOJ-YADHBBJMSA-N 368.440 3.149 0 1 FGAF Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21 201445771 XVDMMNXKDNBJKN-UHFFFAOYSA-N 362.368 3.028 0 1 FGAF CC(C)C[C@]1(C(=O)NCc2ccccn2)C=CCN1C(=O)c1ccccc1 7992724 QKLILSWHWDVEPZ-QFIPXVFZSA-N 363.461 3.195 0 3 FGAF CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(=O)CC2 103210512 WIDQRWZJKUQWOH-UHFFFAOYSA-N 357.406 3.199 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@]4(O)OC(=O)C=C4[C@H](C)[C@H]3CC[C@@H]12 2356335678 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PAOLTFNWCJUBCA-UHFFFAOYSA-N 361.332 3.285 0 1 FGAF Oc1nc(O)c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2n1 587094856 JWMKHJCAXIBQEN-UHFFFAOYSA-N 364.205 3.469 0 1 FGAF NC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586994794 CVKVFURVOFKTTM-UHFFFAOYSA-N 359.227 3.079 0 1 FGAF NC(=O)c1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659885 IBJQUHNYTUSJEZ-UHFFFAOYSA-N 359.360 3.291 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(F)c2[nH]1 587194321 PWDMEAQJAUIBSE-GFCCVEGCSA-N 354.401 3.359 0 1 FGAF C[C@@]1(c2cc(Cl)nc(Cl)c2N)NCCc2c(C(=O)O)cccc21 963129034 DKLSRZTUNHLGGM-MRXNPFEDSA-N 352.221 3.078 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC(Cl)(Cl)C2(O)O)N1 962953825 WJXKDMYYQHMCLM-MEDUHNTESA-N 369.292 3.326 0 1 FGAF O=C(/C=C/c1cccs1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 11789051 MHUYTGROKJDZBV-KIUWMYQTSA-N 363.442 3.338 0 1 FGAF CN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 13147525 YFNAOPLKGVKGOK-JKXYVKTPSA-N 356.466 3.052 0 3 FGAF Cc1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NCC2CC2)n1 13660305 WJSQSMCYVVWVLW-UHFFFAOYSA-N 363.421 3.192 0 3 FGAF CC(C)Oc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731438 JXOLMXLINBXECI-MQVJKMGUSA-N 353.466 3.377 0 1 FGAF Fc1cccc2c1C[C@@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743685 XOZNBBHOIWDEFP-OAHLLOKOSA-N 354.425 3.059 0 1 FGAF CC(C)CNC(=O)OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 203462245 BRLJBLTUECVZKZ-UHFFFAOYSA-N 356.348 3.227 0 3 FGAF OC(c1ccccc1)(c1ccccc1)c1noc([C@@H]2CN3CCC2CC3)n1 3796360 OFFGOUURBVXUDV-LJQANCHMSA-N 361.445 3.163 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)NCCF)[C@H](c1ccc(Br)cc1)C2 101023205 OGMONSYQNAKIFE-QKPAOTATSA-N 369.278 3.101 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@](C)(O)[C@@H]12 119256811 OCPGSVYCKLXPSO-FQHZHUCPSA-N 362.510 3.293 0 1 FGAF in-man CC[C@@H]1CCCCc2ccccc2[C@@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959220 CDHITIHANXASKS-SYNHAJSKSA-N 360.450 3.323 0 3 FGAF FC(F)(F)c1ccc(-c2n[nH]c3c2CN(C[C@H]2CCOC2)CC3)cc1 20212523 FYNSDBCUWIHXOG-GFCCVEGCSA-N 351.372 3.490 0 1 FGAF O=C(O[C@H]1C[C@@H](CO)CC[C@H]1OC(=O)c1ccccc1)c1ccccc1 29565123 LQHGEJABMDXCPX-IPELMVKDSA-N 354.402 3.230 0 1 FGAF COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539754 MNEBTNXXCJJUOW-UHFFFAOYSA-N 360.845 3.378 0 1 FGAF O=C(CCN1CCN2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1Cl 26750816 MYTMQSRFTOIQNT-GOSISDBHSA-N 369.896 3.411 0 1 FGAF CN1C/C(=C\c2ccccc2)C2=NN(C(N)=S)[C@H](c3ccccc3)[C@@H]2C1 34172411 QLNXWTDLBSRVRY-YTJILNPBSA-N 362.502 3.288 0 1 FGAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3C[C@@H](C)NC[C@H]3C)[C@@H]12 34802100 IOQZWNCABFVBOY-DYJFIGRHSA-N 362.558 3.453 0 1 FGAF Cc1nc(N)nc(-n2c(Nc3ccc4cc[nH]c4c3)nc3ccccc32)n1 71330063 BFUAMEMDRSZWDZ-UHFFFAOYSA-N 356.393 3.326 0 1 FGAF CCCn1c2c(c3c(O)cc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911578520 ISMUQFNILDEKFQ-UHFFFAOYSA-N 361.401 3.396 0 1 FGAF O=C(N[C@@]1(C(=O)O)Cc2ccc(F)cc2C1)c1cccc2c1CCCC2 146486865 JGVKSNVSVQTRCR-NRFANRHFSA-N 353.393 3.057 0 1 FGAF CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(C)cc(C)nn12 96168022 RGPSCAJBNWAKNP-UHFFFAOYSA-N 366.465 3.433 0 1 FGAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F 95893820 XJUPBKIKSLNNQI-QKNQBKEWSA-N 372.415 3.050 0 1 FGAF CCC(CC)c1nn(CCCO)c2c1N=C(c1ccccc1)CNC2=O 96928708 ZVIAZPYEOAIGSB-UHFFFAOYSA-N 354.454 3.033 0 1 FGAF CN1C(=O)N(C2CCCC2)C[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565352 SGOFDXLWIOCVRG-OAHLLOKOSA-N 370.280 3.288 0 1 FGAF COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1C 238740584 ILZWKKZNJFLJKJ-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF C[C@H]1CN(Cc2cccc(F)c2)C[C@]12CCN(Cc1cccnc1)C2=O 299843181 NVQUCTZUPOEPLO-HRAATJIYSA-N 353.441 3.091 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCCC1 587870073 VPSOHRGOTATAFO-UHFFFAOYSA-N 368.359 3.099 0 1 FGAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1OC 587216929 QXXPWLJKOBFIIR-HNNXBMFYSA-N 353.422 3.308 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ncnn12 587585316 DDRXQFFQUMUJSR-XLIONFOSSA-N 359.341 3.138 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)n1 587869734 QNOKPGDUTQGOHY-UHFFFAOYSA-N 368.340 3.426 0 1 FGAF CCOC(=O)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594309 GHKBCINUJCSWCE-OXQOHEQNSA-N 354.358 3.066 0 1 FGAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2nc(Cl)c[nH]c-2n1 587120772 VEWOIXITRSDYDH-UHFFFAOYSA-N 356.617 3.386 0 1 FGAF Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Cl 586937990 HWWXAFMPNAXHKX-UHFFFAOYSA-N 352.847 3.207 0 1 FGAF O=C([C@@H]1CCCOC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657110 VJIKUEHHISARNB-CYBMUJFWSA-N 370.355 3.409 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(C)C[C@@](O)(c1nccn1C)C(F)(F)F 963035219 ZXKXMQGSYKBQTP-JKSUJKDBSA-N 373.444 3.300 0 1 FGAF CC[C@]1(c2c[nH]c(C(=O)OC)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963602644 AITUPAARUSCUBJ-FKIZINRSSA-N 358.438 3.006 0 1 FGAF Cc1ccn2c(Br)c([C@H]3NCCc4ccc(O)cc43)nc2c1 963352968 OATKDCBOKKRTBP-HNNXBMFYSA-N 358.239 3.346 0 1 FGAF CCOC(=O)N1CCC[C@@H](N2CCC(c3ncccc3OC)CC2)CC1 220909541 GWGLXRCCVIVRSY-QGZVFWFLSA-N 361.486 3.281 0 1 FGAF COCCN=c1nc(Nc2ccc(F)cc2)[nH]c(Nc2ccc(F)cc2)n1 1772569942 WOTGMUZUOJPSRC-UHFFFAOYSA-N 372.379 3.117 0 1 FGAF Cc1c(N2CCC[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918392 MRLBHFVQGRTBHZ-LLVKDONJSA-N 355.438 3.162 0 1 FGAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1 117716579 QJPOOLLLHUDQHY-CYBMUJFWSA-N 365.355 3.352 0 1 FGAF Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2C)n1 114866505 MSQAEIWPJMSSTI-UHFFFAOYSA-N 366.812 3.438 0 1 FGAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2O)CO3)O1 2356711807 AKUCLIKSMBKQIE-ZDUSSCGKSA-N 354.358 3.347 0 1 FGAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccc(OC)nc3)cs2)c1 61898091 GVQSUKNTKWFMQU-SFHVURJKSA-N 369.446 3.448 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2O/C(=C/CCCC(=O)O)C[C@H]12 33838838 KAQKFAOMNZTLHT-NQFOATTMSA-N 352.471 3.409 0 1 FGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)NCC3 5053056 MXTWKFQBYULPCY-CQSZACIVSA-N 371.433 3.140 0 1 FGAF biogenic COc1cc(OC)c2c(=O)cc(-c3cc(OC)c(O)cc3OC)oc2c1 14644369 HJKTWRNMKTUQOK-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic Clc1nc(I)c2ncn([C@@H]3C[C@H]4CC[C@@H]3C4)c2n1 72108523 XFYXIGHHQHHILK-XLPZGREQSA-N 374.613 3.445 0 1 FGAF COc1cc2cc(CCCOC(=O)c3ccco3)oc(=O)c2cc1OC 36388709 SBTIHWTYELTDOQ-UHFFFAOYSA-N 358.346 3.193 0 3 FGAF COc1ccc(C(=O)CSc2cnnn2-c2ccccc2)cc1OC 49054818 CLQDMZWNPYIYRH-UHFFFAOYSA-N 355.419 3.260 0 1 FGAF CC[C@H](CCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)c(Cl)c1 45228797 AEZXDRYDBUGWAL-SNVBAGLBSA-N 372.300 3.490 0 1 FGAF Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCn2ccnc2)cc1 43947840 YNJVORWBVYJAET-UHFFFAOYSA-N 371.444 3.474 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCC3CCCCC3)co2)cc1 82070487 JULPWTFOKYGDML-OAHLLOKOSA-N 369.465 3.465 0 1 FGAF COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cn2)cc1OC 299826186 FXBDLRLOFDUIGF-UHFFFAOYSA-N 365.389 3.422 0 1 FGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1F 299837715 PGDFPUDSZXVRKV-UHFFFAOYSA-N 367.760 3.248 0 1 FGAF CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343821 KRPFKZDKAAGSAP-LJQANCHMSA-N 369.392 3.271 0 1 FGAF CC(C)OC(=O)C1(c2nc3ccnc(Br)c3[nH]2)CC(F)(F)C1 587130453 KDORGDUGOWHEEB-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCc1ccc(F)cc1)[C@@H](C2)C3=O 587429823 XCXNHXIBUDGATG-KKSFZXQISA-N 369.392 3.047 0 1 FGAF Clc1ccc(I)cc1-c1nc2ncc[nH]c-2n1 587182397 JQDGVYDLNVTORV-UHFFFAOYSA-N 356.554 3.230 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1nc[nH]n1)(c1cccs1)CC2=O 587495341 QAJRFWYEQPSZAL-SFHVURJKSA-N 355.419 3.433 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@H]1N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436450 RIECSUFDYYJGGX-ODKMCVQBSA-N 371.433 3.353 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ncccn23)N1 587772289 FGTSCASZQDFITA-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF CCCCOc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br 587197068 HUFCXOHSDSHLCC-UHFFFAOYSA-N 354.248 3.135 0 1 FGAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587402431 CPMBYDHBQFDZIC-QKVFXAPYSA-N 367.401 3.409 0 1 FGAF Cn1cc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583248 UWTBAWHVYSITAS-NQIIRXRSSA-N 362.385 3.319 0 1 FGAF Oc1nncc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976400 POYRPSPOHYEIMZ-UHFFFAOYSA-N 355.579 3.053 0 1 FGAF CC(C)COc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br 587252815 NTUDMPMKMZWGON-UHFFFAOYSA-N 362.231 3.399 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(Br)c2[nH]1 586961596 KHQSMACZUHATAA-LURJTMIESA-N 366.244 3.257 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1F)[C@@H](C2)C3=O 587425555 DYKHQPZHGDRYRE-BONVTDFDSA-N 364.170 3.481 0 1 FGAF CO[C@@H]1COCC[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962639353 QDFZLKSQXZODHA-YMPZKCBVSA-N 364.489 3.064 0 1 FGAF Cc1cnccc1[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668612 PCPYDTFZOLZQJD-FCHUYYIVSA-N 361.445 3.300 0 1 FGAF Cc1ccnc2c1CCN[C@]2(C)c1nnn(-c2cccc3ncccc23)c1C 963070199 FOLDTGLXLBIBLJ-JOCHJYFZSA-N 370.460 3.237 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2C=CCCC2)c1O 1772589476 QYNLCHIEKWYOGU-LLVKDONJSA-N 372.874 3.458 0 1 FGAF COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1 13724732 XMUMUSIKSFUJSM-GOSISDBHSA-N 357.450 3.493 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H](CO)[C@H](CO)CCCCCCC(=O)OC 169318075 OBFQFOMLAWYXGC-QUMINBJRSA-N 358.519 3.214 0 1 FGAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 205216928 WQXUMDXWDRYDIX-CZUORRHYSA-N 374.799 3.363 0 3 FGAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4902509 VLNKYDCKUWQXOO-BFUOFWGJSA-N 366.417 3.027 0 1 FGAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1OC 103878172 UJILYCWRKBRAJY-AWEZNQCLSA-N 369.377 3.119 0 1 FGAF Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)C[C@H](N)C(=O)O 28528612 ZUJCVROZZWXJLM-AWEZNQCLSA-N 366.339 3.421 0 1 FGAF C[C@H](NS(=O)(=O)c1ccccc1)c1onc(-c2ccccc2)c1C(=O)O 2356301549 BFZJVHOTZRGFPE-LBPRGKRZSA-N 372.402 3.079 0 1 FGAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 61928095 NHJMZQWIHITJGL-OAQYLSRUSA-N 367.449 3.252 0 3 FGAF CC[C@]1(CCC(=O)OC)CCCN2CC[C@@]3(C(=O)N(C)c4ccccc43)[C@@H]21 238747606 YARGJPJBVSIYIX-NNWRFLSQSA-N 370.493 3.119 0 1 FGAF CC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)C 95895200 GFFGWWHPUXJGGG-YPAWHYETSA-N 370.468 3.166 0 1 FGAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232737 DPGLSYBNFYEWOB-WBVHZDCISA-N 351.450 3.052 0 1 FGAF biogenic O=C(N[C@H]1CC[C@H](c2ccc(O)cc2)CC1)[C@@H]1Cc2ccccc2CN1 253656693 WSRMPOSDHQOTMA-ZRCAFCQKSA-N 350.462 3.249 0 1 FGAF Oc1nncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985764 RJQWZQVKVODQSW-CQSZACIVSA-N 374.242 3.006 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(CO)cc3[nH]2)C(F)(F)C1 587132104 KAUKUMRDTOGEBP-LLVKDONJSA-N 353.369 3.025 0 1 FGAF COC(=O)/C(=C\N(C)C)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508735 BIOFWYPPLFGQPZ-CAVPUYEOSA-N 369.461 3.298 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCCC2)N1 587754720 KVMXYOJDEZZZIY-HWPZZCPQSA-N 369.278 3.470 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O 587421321 LVKLZCWALSEJNO-DJJJIMSYSA-N 373.792 3.251 0 1 FGAF C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cccn1 587661569 QMZBBJZIBXCWIP-ZDUSSCGKSA-N 362.364 3.301 0 1 FGAF CC(C)OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656852 RYIYTBGVJXQRNM-UHFFFAOYSA-N 358.344 3.407 0 1 FGAF COC(=O)c1cc2nc(CC3OCCO3)[nH]c2c(F)c1Nc1ccccc1 586909219 UXQMKZAJFSIZFJ-UHFFFAOYSA-N 371.368 3.148 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109006 FOMQFYIWJDZLIA-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(=N)[nH]2)N1 587856698 YWWDXOVEXJTSMC-UOWDBTKRSA-N 356.264 3.255 0 1 FGAF COCC(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587563113 MBKUFVUVXPWHEF-UHFFFAOYSA-N 351.122 3.102 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(Cl)cc3[nH]2)c1 586936157 NPYJEERZTMCTEE-UHFFFAOYSA-N 356.810 3.037 0 1 FGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2nccn2n1 587659968 ALIKJVOBHCOKPO-UHFFFAOYSA-N 357.348 3.235 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(O)cc1O 587612815 WOCQVPUSLRSUAE-YLJYHZDGSA-N 366.325 3.212 0 1 FGAF COc1ccc2c(c1OC)[C@](C)(c1ccc(CC(=O)O)cc1)N(C)[C@@H](C)C2 962628771 QFSVPHAXWSSCBV-FPTDNZKUSA-N 369.461 3.471 0 1 FGAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 1772606174 PTGIMBUEKPXQFH-KBPBESRZSA-N 365.399 3.401 0 1 FGAF CNc1nc(CCc2ccc3c(c2)OCO3)nc2sc(C(=O)O)c(C)c12 1772624207 YOUVRBMXFAEBPS-UHFFFAOYSA-N 371.418 3.254 0 1 FGAF CC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 12478583 FEBIDPUEQHGRES-KRWDZBQOSA-N 362.426 3.121 0 3 FGAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(CO)=C2 13553832 SPFZJDHKVIXCHT-LJQANCHMSA-N 358.390 3.230 0 1 FGAF CN(C)CCn1ccc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 13611674 BINRIKBSGCZJLE-UHFFFAOYSA-N 357.479 3.145 0 1 FGAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CC(=O)O)C(=O)O 13742387 GGAMAQNICRPPQT-RSXQAZDNSA-N 351.443 3.450 0 1 FGAF C/C=C1\C(=O)NC=C(C(=O)OC)[C@H]1Cc1nccc2c1[nH]c1ccccc12 14583377 OVCQNYKEUACHQG-ACQQSFGKSA-N 361.401 3.008 0 1 FGAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(C2CC2)nn1 1857749824 HAPODJPORXYGKG-UHFFFAOYSA-N 369.372 3.250 0 1 FGAF Cc1nc([C@H]2C[C@H]2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1 220137571 WGHDYOHZXVHSJS-JKSUJKDBSA-N 359.437 3.210 0 1 FGAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@@H]3CC[C@@]21C 2356332033 ZLLOIFNEEWYATC-HTMXZUADSA-N 364.869 3.375 0 1 FGAF CCCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)O 8691326 GJSTUKRVSHJAOC-UHFFFAOYSA-N 364.423 3.204 0 3 FGAF Nc1ncnc2c1O[C@@H](c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CO2 101448017 AOVBNRRYULZZSN-DVOMOZLQSA-N 369.421 3.320 0 1 FGAF CC(=O)c1cc(Cl)c(F)cc1OCC(=O)Nc1ccccc1C(=O)O 28643986 YWFJVIATKZJPMT-UHFFFAOYSA-N 365.744 3.397 0 1 FGAF O=C(NCc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(O)cc1 28950951 PGLNSEKCVMZBOZ-UHFFFAOYSA-N 360.413 3.252 0 1 FGAF Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)s1 23338715 RTFIFMMZPBIWJB-MRXNPFEDSA-N 361.555 3.012 0 1 FGAF CN(C)CCCOc1ccc(CN2CCC(Cc3c[nH]cn3)CC2)cc1 28569678 ZEGYSPXGRXXXRY-UHFFFAOYSA-N 356.514 3.195 0 1 FGAF CCOC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@H]1c1cc[nH]c1C[C@@]34C 2356519558 HORWUZVIXQFJDV-YACFLTMCSA-N 371.477 3.259 0 1 FGAF C[C@@]1(CO)C[C@H](O)C[C@@]2(C)[C@@H]1CCC1=C[C@](C)([C@@H]3COC(=O)O3)CC[C@@H]12 2356554932 BXFOOWNZKVTNCW-ZVIOFETBSA-N 364.482 3.434 0 1 FGAF Cc1oc(=O)c2c(c1C)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 2356600847 BWYKQVIOFJIPNL-RGXPITOMSA-N 374.477 3.487 0 1 FGAF c1cc2c(c([C@@H]3OC[C@@H]4[C@@H](c5ccc6c(c5)OCO6)OC[C@@H]34)c1)OCO2 504569244 WDPQLPUISOFTQH-RAKLQZGLSA-N 354.358 3.219 0 1 FGAF biogenic CN1O[C@](C)(CC(=O)Nc2ccccc2F)N=C1c1cc(F)ccc1F 74374091 TUWALSUVPULXPR-GOSISDBHSA-N 363.339 3.473 0 3 FGAF C[Si](C)(C)CCOCn1c(Sc2ccccc2)cc(=O)[nH]c1=O 195523718 XHZXKNKCZANGFH-UHFFFAOYSA-N 350.516 3.000 0 1 FGAF O=C(Nc1c2c(cc3c1CCC3)CCC2)N[P@](=O)(O)c1ccccc1 1911570690 KRJFNHMNCYWXNE-UHFFFAOYSA-N 356.362 3.296 0 1 FGAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccnc3)no2)CC1 82153091 XVFUJUMUKRPTOD-UHFFFAOYSA-N 354.332 3.180 0 1 FGAF Cn1cc(-c2[nH]c(=O)[nH]c(=O)c2-c2cn(C)c3ccccc23)c2ccccc21 84690315 BSPJMQLMADJJEK-UHFFFAOYSA-N 370.412 3.381 0 1 FGAF CC(=O)N1C=C([C@@H]2[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]3CCCCN23)CCC1 238743345 HTZABNNPQGCYSI-AHJNKEMKSA-N 357.542 3.240 0 1 FGAF C[C@H]1CC[C@@H](Oc2c(F)cc(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 261143384 NLCMINSUEGCGSP-QEORTHHSSA-N 352.425 3.291 0 1 FGAF Cn1ncnc1CN[C@@H]1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)C1 618012694 XTGBCDKJZPCLGY-GOSISDBHSA-N 372.476 3.332 0 1 FGAF C[C@H](Cc1cc2c(cc1O)OCO2)[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 40409523 MUMFFBHTQFUOMR-HTGLOVNISA-N 358.390 3.398 0 1 FGAF biogenic CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)C1 299878178 IMRXPYAJPMDGTE-KBRIMQKVSA-N 359.518 3.127 0 1 FGAF COC(=O)CC[C@@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525025 PBNXBDCCXAGYES-KKSFZXQISA-N 374.433 3.032 0 1 FGAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638396 KOERNTGYIRRSDD-UHFFFAOYSA-N 351.284 3.158 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586886446 BURTYYHOLREEBD-AEVLCDIHSA-N 359.495 3.281 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)cc(Cl)cc3[nH]2)c1 586937426 ZWRWNGPMXVLGAK-UHFFFAOYSA-N 356.810 3.037 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cnccn12 587589884 YILUXDUIDMPFHN-PXNSSMCTSA-N 359.341 3.138 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C 587762486 FOJLCXMSGUDPOT-JDNHERCYSA-N 352.251 3.428 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N(C)C)n2)N1 587755162 NDAUYFORJLTNIY-PSLIRLAXSA-N 365.250 3.068 0 1 FGAF CC1=C(c2ccc3nc(-c4ccc(O)cc4Cl)[nH]c3c2)NNC(=O)C1 587055139 SNPUKSYUPRYVSE-UHFFFAOYSA-N 354.797 3.344 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)ncc4[nH]3)cc12 587039008 WVXYCNIHHFTQAM-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)(C2CC2)N1 587832324 JMFXNGUMDMUOBA-BMLIUANNSA-N 370.262 3.491 0 1 FGAF COc1cc2nc(Cl)nc(Nc3ccc(C(N)=O)cc3)c2cc1OC 11756275 RLPIYJHRUPAEHW-UHFFFAOYSA-N 358.785 3.143 0 1 FGAF NCCCC(=O)Nc1ccc(S[C@@H](CC(=O)O)c2cccnc2)cc1 13589326 NFFXNGSHPFAGMJ-INIZCTEOSA-N 359.451 3.067 0 1 FGAF COc1c(O)cc2c(c1CC=C(C)C)O[C@@H]1c3ccc(O)cc3OC[C@]21O 14713039 VNKBPGVSBWRHTG-RTWAWAEBSA-N 370.401 3.329 0 1 FGAF biogenic CO[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 14967636 POHNKSHNRFOJER-OAOYMFHYSA-N 370.401 3.219 0 1 FGAF C[C@H](CO)CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 169362574 QZBPWZWWRPDXGM-OCMWWKOBSA-N 370.401 3.292 0 1 FGAF C[C@@H](c1c(F)cc2ncccc2c1F)n1nnc2ncc([C@@H](C)N=O)nc21 169694294 DRYLGEUQKOWFAZ-BDAKNGLRSA-N 369.335 3.484 0 1 FGAF CC(C)CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 4238115 NXHRDMHMJFKRAZ-UHFFFAOYSA-N 350.528 3.209 0 1 FGAF O=C1[C@@H]2C[C@@H]2CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644093 LFXGXBRXYSLKHQ-VBNZEHGJSA-N 370.399 3.302 0 1 FGAF C/C(=C\CC[P@@](=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO 1857646421 VSHIPDCBCPUGHS-ZJRYQZHFSA-N 355.371 3.128 0 1 FGAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2o1 53226678 NLOGXCAMKYLWJP-UHFFFAOYSA-N 360.421 3.260 0 1 FGAF Nc1ccc(/C=C(\C[P@@](=O)(O)[C@@H](N)CC2CCCCC2)C(=O)O)cc1 27106489 HLFIMQPMHNUTJR-IUYQLWOBSA-N 366.398 3.262 0 1 FGAF CC(C)NC(=S)SCC(CSC(=S)NC(C)C)CN(C)C 103292639 SYHXPPMHJZFFKH-UHFFFAOYSA-N 367.675 3.196 0 1 FGAF CCCC(=O)SC[C@H](CO[P@](=O)(O)OC)SC(=O)CCC 27330726 MLBQEYKUJYEADC-JTQLQIEISA-N 358.418 3.238 0 1 FGAF COc1cc(CN(CCCN)Cc2cc(OC)cc(OC)c2)cc(OC)c1 27715273 BQXKUGADNDWRDO-UHFFFAOYSA-N 374.481 3.072 0 1 FGAF CC[C@@H](C)[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29466033 UGPOMYIOAGJKAA-LRYNJCQDSA-N 355.478 3.206 0 1 FGAF CO[C@H](CCCC[C@H](C)CC(C)=CC(C)=CC(=O)O)[C@@H](CO)C(=O)O 2356851942 QLJHLVMHRMAVKG-IAOVAPTHSA-N 356.459 3.258 0 1 FGAF CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 36271317 NPUPASYITYXDSJ-NYTXWWLZSA-N 369.246 3.494 0 1 FGAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)C1 82203990 IMRXPYAJPMDGTE-RRQGHBQHSA-N 359.518 3.127 0 1 FGAF COc1ccc(CCNC(=O)c2cc3ccc(Cl)cc3nc2N)cc1 95605645 AWCWKPFEOVLCML-UHFFFAOYSA-N 355.825 3.452 0 3 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H](C)N2CCCC[C@H]2C1 253684162 GOIFKVIKBPQYGJ-XQQFMLRXSA-N 351.878 3.066 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c1ccc(Cl)c4F)[C@@H](C2)C3=O 587426526 DAHFAKMXGGASNQ-YPMLDQLKSA-N 359.740 3.083 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(SC)[nH]c1=N)CC2=O 587494373 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C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CCc2ccccc2)CC1 13742660 JBDGVYISKMAKJX-LAUBAEHRSA-N 355.478 3.274 0 1 FGAF Clc1ccc(OC[C@H]2CN(Cc3c[nH]c4ncccc34)CCO2)cc1 13906985 HBYJIVNHTWIKJQ-QGZVFWFLSA-N 357.841 3.496 0 1 FGAF C[C@@H](c1cc(OC(=O)N2CCCC2)c2ncccc2c1)N1CCOCC1 1857589305 SOTQXSCJSYJHKR-HNNXBMFYSA-N 355.438 3.223 0 1 FGAF C[C@H]1CC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857646893 AWLUNBKNRADLNR-SWLSCSKDSA-N 358.388 3.302 0 1 FGAF CCN1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762993 IZIOWQPDFIGDNG-HNNXBMFYSA-N 373.403 3.191 0 1 FGAF CCc1ccc(/C=C(/C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])o1 59085615 JZQSIWLOJQNNGT-DHDCSXOGSA-N 360.801 3.422 0 1 FGAF CC1(C)CC(=O)C(CC(=O)N2CCC(Cc3ccccc3)CC2)C(=O)C1 101922287 FMBORVUJJAKMSG-UHFFFAOYSA-N 355.478 3.432 0 3 FGAF Cc1ccc(-c2cnnc(NCC3(N4CCOCC4)CCCCCC3)n2)o1 20455761 KTQDHIZQTQKGOH-UHFFFAOYSA-N 371.485 3.277 0 1 FGAF COc1cccc2nc(C[C@H]3CN(C4CCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356306053 BFPMAWHBOQXBCM-KGLIPLIRSA-N 357.454 3.079 0 1 FGAF CCOC(=O)CNC(=O)c1ccccc1Nc1ccnc(C(F)(F)F)c1 28386499 OQXQPZRGJISKEX-UHFFFAOYSA-N 367.327 3.137 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@@H]2[C@@H]1O 2356531812 MZQAWNWYBXNFSG-DOSROMOZSA-N 362.466 3.313 0 1 FGAF CC(C)(C)O[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272668 DVKMUFWFJZRDGG-OAHLLOKOSA-N 366.849 3.233 0 1 FGAF Nc1ccccc1C(=O)NC(=O)Nc1ccc(Sc2ncccn2)cc1 35876860 VZEFMNJUFMXTIE-UHFFFAOYSA-N 365.418 3.172 0 1 FGAF COC/C=C(C)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 136435940 KOMLQPBMYPUDGX-OJTKEJOPSA-N 352.515 3.071 0 1 FGAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2c1=O 45366767 SXJIWRKGAFTXQZ-UHFFFAOYSA-N 363.348 3.073 0 1 FGAF CCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069467 UULQOUXNZVMNDE-KRWDZBQOSA-N 369.465 3.419 0 1 FGAF O=C(Nc1ccc(F)cn1)c1ccc([S@@](=O)Cc2ccccc2)nc1 261150073 OSAZAHFGQFSJCW-VWLOTQADSA-N 355.394 3.176 0 1 FGAF CCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1 653840634 QHCPNUKETAPXBT-YBEGLDIGSA-N 354.431 3.265 0 1 FGAF COc1ccc(OC)c(-c2nc3cc(Br)cnc3[nH]2)c1OC 587793168 KAPCZTJRASSGIP-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF C[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587129351 WZCASJFAJUZPTD-VKHMYHEASA-N 363.706 3.051 0 1 FGAF COC(=O)c1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cn1 587135754 CXJIDJCYRKDGHZ-UHFFFAOYSA-N 358.373 3.310 0 1 FGAF Cn1cc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583249 UWTBAWHVYSITAS-RXVVDRJESA-N 362.385 3.319 0 1 FGAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 587162187 FFMYADVKCRPMHL-UHFFFAOYSA-N 366.377 3.384 0 1 FGAF CC(C)(SCc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)O 586960751 XZKHUJDBJRIJPH-UHFFFAOYSA-N 364.652 3.470 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)c(F)cc3[nH]2)cc1 586941648 UNORIRAHZCSWQT-FPLPWBNLSA-N 359.426 3.409 0 1 FGAF CC1(C)CN[C@]2(C(=O)Nc3c(Cl)cccc32)c2cc3c(cc21)OCO3 963391071 PKISCOAILHUEQQ-IBGZPJMESA-N 356.809 3.145 0 1 FGAF Nc1noc2ccc(-c3cnc4ccc(NCc5cccnc5)nn34)cc12 1772628878 NDCGOZBYWGDNBI-UHFFFAOYSA-N 357.377 3.127 0 1 FGAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 169701356 DJPBNQLBPNZGFT-NQIIRXRSSA-N 370.456 3.413 0 1 FGAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc4c(c3)OCCN4C)cc21 205099416 BETMGRMNVFQNEH-UHFFFAOYSA-N 360.417 3.393 0 1 FGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCC 2492801 LFNYUKBXXAXZCJ-GECYSXLNSA-N 358.482 3.055 0 1 FGAF NC(=S)c1ccnc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c1 1857578374 ZYNOJMOJFPRWIC-UHFFFAOYSA-N 361.417 3.485 0 1 FGAF O=C([C@@H]1C[C@H](NCc2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1 1857629333 IGBOMRFQBQSZPX-GOTSBHOMSA-N 371.484 3.202 0 1 FGAF CN1CCN(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CC1 216022005 KRDRUKZWPAOPCF-UHFFFAOYSA-N 370.840 3.333 0 1 FGAF Cc1cc(F)ccc1O[C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)O[C@@H]1CO 7992611 CBOKKADTZKMXAM-XKGZKEIXSA-N 358.365 3.299 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H]2O[C@]3(CCC[C@@H]13)C(=O)c1cc3c(cc12)OCO3 103132139 ZWQNJNZGIAJSHJ-OGWOLHLISA-N 359.378 3.169 0 1 FGAF CN(C)[C@@H]1CCN(c2nc(-c3ccc(F)cc3O)nc3ccccc23)C1 66102364 BAHFWJFHZZTNHY-CQSZACIVSA-N 352.413 3.282 0 1 FGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)OC2 2356655586 HXZOVFHWQXUMMV-NZHWUQRPSA-N 372.417 3.333 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1O 2356664013 DJHDOMQWAUJNKX-LATRNWQMSA-N 372.417 3.493 0 1 FGAF COc1cccc2c1C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66080580 IOWQKWNFTIUJRR-CYBMUJFWSA-N 374.400 3.041 0 1 FGAF CCOC(=O)c1cnc(-c2ccccc2OCc2ccccc2)[nH]c1=O 39243754 NBNODBFQUUWHAQ-UHFFFAOYSA-N 350.374 3.193 0 1 FGAF c1ccc(CCn2c(-c3cccnc3)nc3c(NCC4CC4)ncnc32)nc1 82180894 MYTLBBIYDOZKSM-UHFFFAOYSA-N 371.448 3.348 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)c(F)cc2[nH]1 587193581 COYARELHOXHHCM-GFCCVEGCSA-N 354.401 3.359 0 1 FGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cnncc4[nH]3)c2C1 587032742 BGJFSNZFMQTOJU-UHFFFAOYSA-N 357.439 3.375 0 1 FGAF COC(=O)CCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590632 CVULDARNIGAMKI-QAPCUYQASA-N 356.374 3.456 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Cc1ccccc12 587817020 HHJVQOUAQPAQCR-YPMLDQLKSA-N 360.226 3.491 0 1 FGAF Nc1cnc(-c2nc3c(Br)ccc(Br)c3[nH]2)nc1 587252678 ITNDVRKCPUNKPB-UHFFFAOYSA-N 369.020 3.127 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587233052 GNVXXRDDQCNSPI-JGVFFNPUSA-N 367.500 3.091 0 1 FGAF CC[C@H](C(=O)O)n1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587556648 BYZMHCAIWXFTFH-CQSZACIVSA-N 364.361 3.093 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093479 NJNBOVFQSBJWKW-QWRGUYRKSA-N 361.389 3.307 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)c(OC)c1)([C@@H](C)O)CC2=O 587480237 OEHUSBDYJKANFC-XUSGNXJCSA-N 372.417 3.300 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3ccc(F)cc3)nn1)O2 587385011 QWWDHPFOFITJGD-FQEVSTJZSA-N 366.396 3.237 0 1 FGAF COc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774483 VQQMQHXOAIFWTH-ANRSDYALSA-N 352.207 3.010 0 1 FGAF COc1cc2cc([C@H]3c4ccsc4CCN3C(N)=O)cnc2cc1OC 962720994 YOPSHCAZHTWOEP-SFHVURJKSA-N 369.446 3.340 0 1 FGAF C[C@@]1(c2ccc(O)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675164 WXSVSOGTTXTZTK-FGZHOGPDSA-N 362.429 3.303 0 1 FGAF COc1ccc2c(c1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1O)CC2 14436002 XVWADHIDSZCAFC-GFCCVEGCSA-N 362.378 3.199 0 1 FGAF endogenous,in-man Cc1ccc(OCc2nnc(SCC(=O)O)n2-c2ccccc2)cc1 878136 JEUMKNOAZZVJMQ-UHFFFAOYSA-N 355.419 3.331 0 3 FGAF CC(C)n1c(=O)nc(-c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 1485922 SXQHCQAZAACMHI-UHFFFAOYSA-N 352.346 3.102 0 1 FGAF C[C@H](CCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345679 XUGAOOQYBZSMCP-VYIWNADRSA-N 358.475 3.010 0 1 FGAF COc1cc2nc3c(O)n(CCN(C(C)C)C(C)C)cnc-3c2cc1OC 8762664 SBQZGVSDAZAWLT-UHFFFAOYSA-N 372.469 3.378 0 1 FGAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C)nc12 113276873 XCESBICUUKSBAJ-UHFFFAOYSA-N 351.193 3.174 0 1 FGAF Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23156800 GOAMXJOTLKPXBX-JMSVASOKSA-N 358.467 3.003 0 3 FGAF CC1(C)Oc2cc(C(=O)c3ccccc3)sc2[C@@H](N2CCCC2=O)[C@@H]1O 27440953 QQEOIAPBTBWLRZ-APWZRJJASA-N 371.458 3.175 0 1 FGAF O=C1O[C@@H](COc2ccon2)CN1c1ccc(C2=CCOCC2)c(F)c1 27422311 YVJAOORXDHZETP-CQSZACIVSA-N 360.341 3.022 0 1 FGAF COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc1 23157247 ZITPQEBEVBBOMR-HNNXBMFYSA-N 358.467 3.389 0 3 FGAF COc1cc(C=C2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 2356437246 MHLQLQUSZZCRFB-HNNXBMFYSA-N 370.401 3.217 0 1 FGAF COc1ccc(C(=O)O)cc1NC(=O)c1cnc2c(n1)C(C)(C)CC2(C)C 26820984 WCTUWNAPIQBBAH-UHFFFAOYSA-N 369.421 3.395 0 1 FGAF C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946699 OIEDDWOQRVAKTI-YEMVKRNOSA-N 360.542 3.142 0 3 FGAF CN1CC[C@@]2([C@@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@@H]12 64624407 UEOHDZULNTUKEK-MOUTVQLLSA-N 374.532 3.085 0 1 FGAF in-vitro CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C2CCCC2)c2ccccc21 35858803 PUQYZIQIINNNTQ-RTWAWAEBSA-N 365.477 3.088 0 1 FGAF C#CCNc1nc(-n2ncc3ccccc32)nc(NCC)c1Br 217118337 ZNQNZXVPHBQGBE-UHFFFAOYSA-N 371.242 3.055 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 14806446 ZDDSHWOLTYMTJG-ZKWAXGPOSA-N 356.374 3.372 0 1 FGAF biogenic CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 40011493 YLRPNLSBXDKDFI-SFHVURJKSA-N 357.454 3.334 0 1 FGAF COc1cc(-c2cc3nc(O)c4ccccc4n3n2)cc(OC)c1OC 43079890 SMPCVIKAYTYWTL-UHFFFAOYSA-N 351.362 3.281 0 1 FGAF O=C(C1C2CC3CC(C2)CC1C3)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 49087721 QRJMKXCBHSPSCC-AOKPMGOMSA-N 364.489 3.027 0 1 FGAF COc1cc(C(=O)N[C@@H]2COc3ccc(F)cc32)ccc1-n1cnc(C)c1 84619067 ZCPRNLYQXDMLFX-MRXNPFEDSA-N 367.380 3.192 0 1 FGAF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1 84710165 BMIMPQBKBZTWCT-UHFFFAOYSA-N 356.447 3.120 0 1 FGAF COC(=O)[C@H](C)CC(=O)Oc1cn(Cc2ccccc2)c2occ(O)c12 142865983 WVPSFEBCHFMZJL-GFCCVEGCSA-N 357.362 3.093 0 1 FGAF COCCO[C@@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862425 NLHNKRJKCJMHGP-NSHDSACASA-N 372.343 3.269 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437990 MPFOIGVLHOCXJN-VZSAFFHGSA-N 359.422 3.068 0 1 FGAF C[C@@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157300 SFYBEBLPPHXKIW-SFHVURJKSA-N 357.316 3.330 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COC(C)=O)c1)[C@@H](C2)C3=O 587443893 QNCZNUWPLCHYIV-HRAATJIYSA-N 368.385 3.256 0 1 FGAF Brc1ccc([C@H](c2nc3ncc[nH]c-3n2)N2CCCC2)cc1 586984070 GUHIWIUKHHNBNX-CYBMUJFWSA-N 358.243 3.252 0 1 FGAF Cn1ncc(Br)c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873357 ZQNBIGLGFAEHMS-UHFFFAOYSA-N 363.146 2.979 0 1 FGAF COc1ccc(-c2ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c(O)c2)cc1OC 587927029 MUUVMIMGRANVOM-UHFFFAOYSA-N 362.389 3.427 0 1 FGAF Cc1ccc2c(ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c32)n1 587127787 ASWBCMPVNYPYBQ-UHFFFAOYSA-N 351.320 3.462 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@]12C=COc1cc(O)ccc12 961316896 DDYSTPKLJRZCLI-JOCHJYFZSA-N 367.445 3.445 0 1 FGAF COc1ccc([C@]2(CC3OCCO3)NCCc3cc(C)c(F)cc32)cc1 962374600 LJSGFUKOYMURDL-NRFANRHFSA-N 357.425 3.295 0 1 FGAF CCN(C)C(=O)Oc1cccc([C@]2(C)NCCc3nc4ccccn4c32)c1 962984814 NVCWLSDAWLVWID-NRFANRHFSA-N 364.449 3.194 0 1 FGAF Cc1ccc([C@]2(c3cccc(F)c3F)c3c(cnn3C)CCN2C)cn1 963953547 AXVDWLRAQIIJIH-FQEVSTJZSA-N 354.404 3.182 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc3c(c1)COC(C)(C)O3)NCC2 962930431 YCUFJPUVCGHGAY-FQEVSTJZSA-N 366.461 3.269 0 1 FGAF Cc1sc2c(c1C)CCN[C@]2(C)C[C@](O)(c1nccn1C)C(F)(F)F 963035192 ZXKXMQGSYKBQTP-CVEARBPZSA-N 373.444 3.300 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]314 169294695 PAXDZHPBDVTZOB-JPHWDRHVSA-N 367.489 3.350 0 1 FGAF COc1ccc(-c2[nH]c(=N)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1 1857556547 KEVVWNVNGMDEKZ-UHFFFAOYSA-N 355.394 3.191 0 1 FGAF COc1ccc(C2=Nc3c(n[nH]c3C)N=C3NC(SC)=NC=C32)cc1 1857653973 SJGVDZUEKGHLFJ-UHFFFAOYSA-N 352.423 3.097 0 1 FGAF CCOC(=O)[C@@H]1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 1617424 LZIOVLJGKCCYKV-IBGZPJMESA-N 352.342 3.163 0 1 FGAF COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]2)cc1 64528105 ADQPZEKPFJYKNR-UHFFFAOYSA-N 368.389 3.342 0 1 FGAF O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)C1(c2ccccc2)CCOCC1 504293558 KGFQTAPPTJLANN-ICSRJNTNSA-N 356.510 3.116 0 1 FGAF biogenic CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1 39241330 GBIPFTGFDWOBEF-QGZVFWFLSA-N 366.465 3.267 0 1 FGAF C=CCCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 13910507 ALOMKPFWZVIIET-KDOFPFPSSA-N 358.431 3.065 0 1 FGAF biogenic Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C 220965809 HKUMDHHNJIWXOV-UHFFFAOYSA-N 363.417 3.422 0 1 FGAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C/[C@@H](COc2ccccc2)O1 195144514 ZWESPJLQSOQNEF-WAIJLDHFSA-N 372.461 3.022 0 1 FGAF CCOc1ccc(OCC)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587778508 OHPOVCZPQNZZBV-UHFFFAOYSA-N 350.382 3.003 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587236322 UQCAGNJIGZXLIU-BQBZGAKWSA-N 351.250 3.450 0 1 FGAF N[C@@H](N=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086532 CKDMLMVMJWBZJN-ZETCQYMHSA-N 365.988 3.156 0 1 FGAF COc1ccc(/C=C/Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(OC)c1 587931128 ZCQLQMSETRAPMV-SNAWJCMRSA-N 372.446 3.240 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896257 NBCGXTORFHRRQT-UHFFFAOYSA-N 373.478 3.084 0 1 FGAF N=c1[nH]ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985255 SSZSDEXHMJRHHE-HNNXBMFYSA-N 372.270 3.318 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756736 FGHXVTCLVLMNCG-MGPLVRAMSA-N 367.266 3.151 0 1 FGAF CCOC(=O)CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512971 HAHOFIXIVWXNAN-UHFFFAOYSA-N 371.477 3.318 0 1 FGAF C=C1NC(=O)NC=C1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799456 XGMOPCPZYYNNKH-VPTHRUTESA-N 366.234 3.048 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H](O)c4ccccc43)nc-2[nH]1 586901748 HXXUKNSAAMSNJJ-CVEARBPZSA-N 373.416 3.191 0 1 FGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ncc[nH]c-4n3)cc2F)c1 587144445 XYSVPZXZIFDKSR-UHFFFAOYSA-N 364.336 3.484 0 1 FGAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2)[C@H]1n1cncn1)CC4 587210441 BRTZMIKMGMAWIT-GGAORHGYSA-N 366.424 3.423 0 1 FGAF CCCOc1cc2nc(/C=C\S(C)(=O)=O)[nH]c2cc1Br 586923811 WNKQOWBXAQMUCO-XQRVVYSFSA-N 359.245 3.130 0 1 FGAF CCc1cc(O)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587867780 AOGNXMNDYVNAPX-UHFFFAOYSA-N 365.315 3.020 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN(C)C)[C@@H](C2)C3=O 587427825 GIVNLQYRYPWKIT-HRAATJIYSA-N 353.418 3.124 0 1 FGAF C[C@@]1(c2ccc(N)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576709 HWNMCJSFOSBUCN-RXVVDRJESA-N 362.385 3.434 0 1 FGAF COC(=O)c1cn2c(C)c([C@]3(C)NCCc4ccc(F)c(C)c43)sc2n1 962093611 QLKOUUOTLXVQTC-LJQANCHMSA-N 373.453 3.348 0 1 FGAF c1ccc2c(c1)CC(CCN1CCN(c3cccc4c3OCCO4)CC1)C2 13743669 VHGOIRVUYYTQMK-UHFFFAOYSA-N 364.489 3.385 0 1 FGAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)C2CCOCC2)cn1 207692853 KTHYXVISZNVVNJ-KRWDZBQOSA-N 359.857 3.379 0 1 FGAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775272 PHYBFWDTHAQSLL-UHFFFAOYSA-N 358.369 3.489 0 1 FGAF O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1-c1ccccc1 1642080 QEEWROMIWCPNHC-UHFFFAOYSA-N 354.369 3.406 0 1 FGAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCO 2483091 XJVDSQISZYAXGY-UHFFFAOYSA-N 370.380 3.269 0 1 FGAF CO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC 28571399 FAZKIZKVCQWHFT-NXOOKBFXSA-N 370.445 3.141 0 1 FGAF Cc1ccc(Oc2ccc(S(=O)(=O)Cn3cccc(O)c3=O)cc2)cc1 29130139 AIMZNBMNWSVLMC-UHFFFAOYSA-N 371.414 3.086 0 1 FGAF CCn1cnc2c(Nc3cccc(Cl)c3)nc(N3CCC[C@@H]3CN)nc21 28086250 VDCPEHPHPJICCB-CQSZACIVSA-N 371.876 3.171 0 1 FGAF Cc1ccccc1C1=N[C@@](C)(CC(=O)NCCc2ccccc2)ON1C 74374595 UNTIYLMLHSPULM-OAQYLSRUSA-N 351.450 3.084 0 3 FGAF O=C(O)COc1ccc(Cl)cc1C(=O)c1cnn(-c2ccccc2)c1 36127041 MTFHDYKMXGXANV-UHFFFAOYSA-N 356.765 3.220 0 1 FGAF CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C 40874725 DGFZLVPWGWQYLN-UHFFFAOYSA-N 374.506 3.367 0 1 FGAF O=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccco1 82081806 WWFWVUCPFMKJJY-UHFFFAOYSA-N 374.809 3.444 0 3 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(O)cc4)ccc31)[C@H]1CC[C@@H](C2)N1 96175135 DSRXSTGJFQEAOY-YVEFUNNKSA-N 368.458 3.066 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(Cl)c[nH]c-4n3)cc2N1 587126845 NKHGXGOKTPVSSK-CAHLUQPWSA-N 357.727 3.129 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427221 QYYIPYLPFRKMFC-XCLFUZPHSA-N 374.339 3.179 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(SC)ncn1 587869123 CABZBLXEMNJBBJ-UHFFFAOYSA-N 367.356 3.474 0 1 FGAF COCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587796258 PVAVNLGAVKYYMX-GLEZIHRCSA-N 355.207 3.346 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)c(F)cc3[nH]2)CCC(O)CC1 587236999 KBIJCYGWBMGWBO-UHFFFAOYSA-N 367.396 3.496 0 1 FGAF CCCCc1nc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Cl)[nH]1 962894301 IMRCOHQCNMFGAC-FZMZJTMJSA-N 351.809 3.233 0 1 FGAF Cc1nc2ccccc2nc1[C@@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963022710 HIXYRCNTFMUOBH-FPTDNZKUSA-N 358.445 3.255 0 1 FGAF COc1ccc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)cc1 14948215 UNXLWAPASUFEBS-DCPHZVHLSA-N 356.441 3.363 0 1 FGAF O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](CC2CCCCC2)C1 15076495 XXQLERBSXCMPRC-IBGZPJMESA-N 354.454 3.079 0 1 FGAF CCNC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 169370222 YJLVMNYHBPCQKV-ICIQGERTSA-N 358.526 3.378 0 1 FGAF CC(C)(C)[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)N1S(C)(=O)=O 1857546813 MCOCHKRTAVFXIW-KBPBESRZSA-N 357.859 3.082 0 1 FGAF CCCC[C@H](CC)CN1C=N[C@@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@H]21 1857619804 LROKOVKTZKIJLR-YSSFQJQWSA-N 370.497 3.021 0 1 FGAF Cc1cc(C)c2c(=O)n(CC(=O)NCc3ccccc3Cl)sc2n1 3030626 OIXFEZPABQBOPX-UHFFFAOYSA-N 361.854 3.045 0 1 FGAF CC[C@]12CCCN3C[C@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 2356449887 BPDKTQZPNORXPH-AGOPTVSRSA-N 368.477 3.070 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2356319332 YSDLIYMQHZRCQI-LBPRGKRZSA-N 360.451 3.002 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@H](C2)N(CC2CCC2)CC[C@@]314 29230620 PAXDZHPBDVTZOB-VONIYEQYSA-N 367.489 3.350 0 1 FGAF CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1 117703796 KBIZOMLODGCSPM-UHFFFAOYSA-N 365.437 3.327 0 1 FGAF COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3o2)c1 27326472 GQVSMZVWTZXAEY-UHFFFAOYSA-N 354.362 3.299 0 1 FGAF Cn1cc(-c2cnc3ccc(NC(=O)NCCc4ccccc4)nc3c2)cn1 72316154 AEBGAQZHEWUQER-UHFFFAOYSA-N 372.432 3.395 0 1 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccc(F)cc3)[C@@H]1C2 72177380 QPOVAXRQPIMWFQ-RDTXWAMCSA-N 371.437 3.020 0 1 FGAF CNc1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 40935830 CNUUVWNSHPQYEK-UHFFFAOYSA-N 351.797 3.267 0 1 FGAF COc1ccc(OC)c([C@@H]2CC(=O)c3c(O)cc(OC)c(OC)c3O2)c1 85645156 OOLKJWIQJUZEKI-HNNXBMFYSA-N 360.362 3.133 0 1 FGAF biogenic,in-vitro NC(=O)c1cc[n+](CCCCCCCCN2C=CC(=CN=O)C=C2)cc1 137759206 GYRINIWBCZPZSE-UHFFFAOYSA-O 355.462 3.407 0 1 FGAF CC(C)[C@H]1c2ccc(F)cc2CCN1C(=O)CNCC1(O)CCCCC1 140424028 IEJFVCIFIJEUJI-FQEVSTJZSA-N 362.489 3.192 0 1 FGAF Cc1cccc(NC(=O)c2nn(C)c(OCc3ccc(F)cc3)c2C)n1 95602800 CUGGYDKITJBIPL-UHFFFAOYSA-N 354.385 3.402 0 1 FGAF COc1cc(-c2c(-c3ccc4cc[nH]c4c3)c(=O)c2=O)cc(OC)c1OC 96928905 OQBQIYCOIBDJHK-UHFFFAOYSA-N 363.369 3.124 0 1 FGAF O=C(N[C@H]1CCC[C@H](NC(=O)c2ccccn2)C1)c1cccc(Cl)c1 95586275 WMKYZRPEGSISJA-HOTGVXAUSA-N 357.841 3.206 0 1 FGAF Oc1ccc2[nH]c3ncnc(N4CCC(O)(Cc5ccccc5)CC4)c3c2c1 653685368 RDTHVSLIEJYPHS-UHFFFAOYSA-N 374.444 3.391 0 1 FGAF Oc1nc2cc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc2[nH]1 587039102 CBNLCNJMDFKIBK-HZPDHXFCSA-N 351.435 3.091 0 1 FGAF COc1cccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202494 ITSSBZCOYJUJQJ-AWEZNQCLSA-N 369.377 3.014 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)s1)[C@@H](C2)C3=O 587453210 WAQXVDDVKYSIOJ-XOBRGWDASA-N 371.458 3.256 0 1 FGAF CC[C@@H]1OCCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907509 AYRGKDZNVXDBFW-KBPBESRZSA-N 353.426 3.295 0 1 FGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ncc[nH]c-3n2)c(O)c1 587240040 FPRFVWLTIOIMFK-UHFFFAOYSA-N 359.389 3.167 0 1 FGAF CCCc1c(O)ccc2c1OC1(CCN(c3ncccn3)CC1)CC2=O 587474905 KXBFMIHICNSBIR-UHFFFAOYSA-N 353.422 3.139 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)nc3[nH]1)C2 587247822 ZJGRJMASHNBRIV-KRWDZBQOSA-N 373.254 3.072 0 1 FGAF Cc1cccc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1C 587564261 PUHXFFHUEAHZRW-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccccc1N1CCOCC1 963638700 UNPZDJHWQNBWPT-QRQCRPRQSA-N 368.477 3.164 0 1 FGAF COC(=O)c1cc([C@H]2NCCc3cnc4c(OC)cccc4c32)ccc1F 963072934 ZXPYWEYGIAPYRY-LJQANCHMSA-N 366.392 3.404 0 1 FGAF c1ccc2nc([C@@H]3C[C@H]3c3cn4nccc(N5CCOCC5)c4n3)ccc2c1 1772624860 ZGOVKVOORNBZEO-IAGOWNOFSA-N 371.444 3.385 0 1 FGAF CC(=O)Nc1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1 13677130 OTZPWILRHDDGRR-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF COc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2ccccc2C)C1=O 200049865 DBBJTCUDIXOASI-LJQANCHMSA-N 366.461 3.315 0 3 FGAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1=O 200049750 BJUMOFRPRAWKJY-IBGZPJMESA-N 354.425 3.445 0 3 FGAF COC[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204419438 WAUBHFWCPAMTQD-CYBMUJFWSA-N 358.335 3.003 0 1 FGAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 1857747947 CNAQOPITLAIDTC-UHFFFAOYSA-N 364.380 3.236 0 1 FGAF CC1=CC2=N[C@@](Cc3ccccc3)(NC(=O)c3ccccc3)C(=O)N2C=C1 6806645 MALQHVWSFRDFFC-QFIPXVFZSA-N 357.413 3.070 0 1 FGAF CC[C@@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(F)ccc1C 103172850 FBNIYTOAWGHEPJ-LLVKDONJSA-N 358.417 3.322 0 1 FGAF CCc1ccc(CNC(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)cc1 103536778 TUKYBIWMJHIZKM-UHFFFAOYSA-N 374.444 3.429 0 1 FGAF O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CNCC2 27903670 KSAUCVWKRWKKHU-UHFFFAOYSA-N 357.262 3.440 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)Nc4cccnc4Cl)ncc-3c2c1 103536657 BDDSKTOXKQIBER-UHFFFAOYSA-N 367.796 3.237 0 1 FGAF COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 26263952 QLMIUFITFKRIHW-UHFFFAOYSA-N 354.406 3.449 0 1 FGAF COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1 27329111 IJOZRPJLEOTMPO-UHFFFAOYSA-N 367.405 3.044 0 1 FGAF COc1c(O)ccc2c1C[C@H](C(C)(C)O)[C@@H]2CC(=O)c1ccc(O)cc1O 2356398641 YDZGKRLTKOOVRI-ZBFHGGJFSA-N 372.417 3.112 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCCc1ccccc1 27105823 IFWOGNWJQNNZLM-SFHVURJKSA-N 372.509 3.122 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356571494 SRURFZLFGGVPRV-PDGXNQQRSA-N 364.482 3.410 0 1 FGAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@H](O)CC=C[C@@H]1CC=CC(=O)O1 2356575784 BEDZJNMPIDRDAK-VAMGGRTRSA-N 356.418 3.201 0 1 FGAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1cn(C)c2ccccc12 2356747973 KRDCDOUSVMJXDZ-PXNSSMCTSA-N 353.510 3.444 0 1 FGAF CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 36387560 UYNHGBKJGYJGTH-AWEZNQCLSA-N 351.399 3.323 0 3 FGAF N=C(N)c1ccc(-c2ccc3nc(-c4ccc(C(=N)N)cc4)[nH]c3c2)cc1 71295171 PHJDIHHRXDMKMB-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF CC1(C)OC(=O)[C@H](c2cccc(F)c2)[C@H]1c1ccc(S(C)(=O)=O)cc1 40762673 SRBHRJQIWKGVHK-IAGOWNOFSA-N 362.422 3.432 0 1 FGAF OC1([C@@H](CN2CCNCC2)c2cccc(C(F)(F)F)c2)CCCCC1 40895308 RPFZUEYSRQOPDL-KRWDZBQOSA-N 356.432 3.389 0 1 FGAF in-vitro COc1cc(-c2cc(=O)n3ncc(-c4cc(C)n[nH]4)c3[nH]2)ccc1Cl 143400104 PGSOGIYVJJDJPJ-UHFFFAOYSA-N 355.785 3.050 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)O2 144132396 GWGUPRNQVJIAAS-RFQIPJPRSA-N 372.202 3.115 0 1 FGAF O=C(NCCN1CC=C(c2ccccc2)CC1)c1cnc2ccccc2n1 140317286 RZLIHUHVJPMTTC-UHFFFAOYSA-N 358.445 3.149 0 1 FGAF C[C@H]1Nc2ccccc2N1C[C@H](CCc1ccccc1)OS(=O)(=O)O 253853799 QHCZWTCYMFZQKA-HOCLYGCPSA-N 362.451 3.085 0 1 FGAF COc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)cn1 299838944 WPIDOLYXQJOZDE-UHFFFAOYSA-N 373.210 3.495 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C(=O)C1)O2 587396567 UHTKBUDYMUTMJI-NRFANRHFSA-N 350.418 3.104 0 1 FGAF COC(=O)C[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516093 URVCIJACONAKAU-NRFANRHFSA-N 351.402 3.384 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)n2cncn2)N1 587757284 GSCYNDZNWFFMOP-QFYYESIMSA-N 367.266 3.364 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 586954672 HITGQAAIXFDRIJ-UHFFFAOYSA-N 353.513 3.204 0 1 FGAF COC(=O)c1occc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614980 DZJIGSKCQHBMAE-CRAIPNDOSA-N 366.325 3.475 0 1 FGAF CCOC(=O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587777480 MXBZEGJJBOYGBI-UHFFFAOYSA-N 351.122 3.450 0 1 FGAF CC[C@]1(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC(=O)c2ccccc2C1 587962307 XDMHQBXLFPCYSM-GOSISDBHSA-N 355.829 3.138 0 1 FGAF CCOC(=O)c1nocc1[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587394872 KWOPDKKTECNZQK-IBGZPJMESA-N 356.378 3.013 0 1 FGAF COc1ccc(-c2cc(-c3nc(C)no3)c(=O)n(C)c2-c2ccncc2)cc1 13473212 FIRUPXQGBDGWLX-UHFFFAOYSA-N 374.400 3.481 0 1 FGAF CC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 13780913 SRVAKQWROMBZFN-UHFFFAOYSA-N 363.204 3.261 0 1 FGAF COc1ccc2c(C(=O)N(C)CC(=O)O)cc(C)cc2c1Br 13823588 XPSUWSQIZXKHQN-UHFFFAOYSA-N 366.211 3.076 0 1 FGAF COC(=O)C[C@H]1Sc2nc3ccccc3n2[C@@]1(O)c1ccc(Cl)cc1 169335471 XBFZWNFMXAFJBS-CRAIPNDOSA-N 374.849 3.421 0 1 FGAF N#Cc1ccc(CN2CCC(c3ncn4cnc5[nH]ccc5c34)CC2)cc1 205551718 QSKZDSFBRGYQHC-UHFFFAOYSA-N 356.433 3.462 0 1 FGAF O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 4965670 AOFDBOPUGUYPQX-SFHVURJKSA-N 357.498 3.100 0 3 FGAF O=C(Nc1nc2ccccc2s1)[C@@H]1C(=O)N2CCCc3cc(F)cc1c32 100658436 KRVFPRJSESASCD-OAHLLOKOSA-N 367.405 3.451 0 1 FGAF COc1ccc(-c2cc(CO)n(C[C@@H](O)c3ccc(Cl)cc3)n2)cc1 66258874 PNYNRTUKRHEABY-LJQANCHMSA-N 358.825 3.438 0 1 FGAF COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C[C@@H]2C)cc1 61923300 OLMZXXONJXEDFB-IFXJQAMLSA-N 368.433 3.332 0 3 FGAF CC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)cc(F)c21 38238325 VDBMDXVKPMDOPB-HNNXBMFYSA-N 361.438 3.215 0 1 FGAF CC(C)(C)CCNc1cc(N[C@@H]2CCN(Cc3ccc(CO)o3)C2)ncn1 73157718 OJSZEXPISQGVRD-OAHLLOKOSA-N 373.501 3.096 0 1 FGAF COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2C)ccc1O 13400442 NDEQJXOUOQJARH-DYZYQPBXSA-N 370.357 3.417 0 1 FGAF biogenic COC(=O)c1cc(NC(=O)Nc2nc3ccc(OC)cc3s2)ccc1O 40762816 BFQCXSLHKPKCLV-UHFFFAOYSA-N 373.390 3.441 0 1 FGAF CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O 84758435 RFCJAGVEZJEOJK-PMACEKPBSA-N 367.493 3.248 0 1 FGAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 45284780 VIZPWAKCVQHRAX-NRFANRHFSA-N 359.558 3.111 0 1 FGAF COCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82136289 JYSDOMKLIKPIMB-UHFFFAOYSA-N 374.460 3.459 0 1 FGAF NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)ncc3s2)c1F 49783894 NSJRUJIBCKFYJI-UHFFFAOYSA-N 355.753 3.301 0 1 FGAF CCN(Cc1cc(=O)n2c([C@H](C)O)c(C)sc2n1)c1ccc(F)cc1 653851002 RCIWECPOSMIWGD-NSHDSACASA-N 361.442 3.283 0 1 FGAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(N5CCOCC5)cc34)cc2)cn1 653742693 UETJKJCLDAZMNX-UHFFFAOYSA-N 373.460 3.391 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 587968372 AYKRZKCMVFHHBS-UGOYDPGYSA-N 352.434 3.315 0 1 FGAF Cc1nc(C)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 587661382 YLFJOIYILNJIOU-UHFFFAOYSA-N 363.348 3.496 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnn1 587864580 MBVQXVQJICLARV-UHFFFAOYSA-N 362.311 3.446 0 1 FGAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ncc(N)cn4)nc3c2)cc1 587252858 QCKBXVKRRKCQLE-UHFFFAOYSA-N 361.361 3.181 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4[nH]c1=O)[C@@H](C2)C3=O 587436128 LYEVCCAOVPPNFY-XOBRGWDASA-N 363.369 3.034 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)nc3[nH]1)C2 587247823 ZJGRJMASHNBRIV-QGZVFWFLSA-N 373.254 3.072 0 1 FGAF Nc1cnc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)nc1 587253058 ZSCWYCKLYFVYIN-UHFFFAOYSA-N 358.121 3.383 0 1 FGAF Cc1c(Br)cnc2[nH]c(CCOc3ccc(C=O)cc3)nc12 587566452 NILILHLVGWDWAF-UHFFFAOYSA-N 360.211 3.463 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC3=C2COCO3)N1 587837409 GSEBIXBSPUURMZ-JDNHERCYSA-N 354.219 3.370 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035351 PHRBGBYOITYVHL-HNNXBMFYSA-N 362.476 3.275 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587765026 BEOURZOGWHXKLE-GTNSWQLSSA-N 369.278 3.350 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(O)cc3Br)c3cccc1c32 963017476 BSRGIVBJOVOXQG-MGNBDDOMSA-N 373.250 3.297 0 1 FGAF COc1ccc(CCNc2cc(-c3ccccn3)nc3nc(C)nn23)cc1 1772577494 DDORJSHGTVMDSS-UHFFFAOYSA-N 360.421 3.158 0 1 FGAF CCCN(CCC)c1nc(N)nc2c1N[C@@H](c1ccc(OC)cc1)CN2 13474492 QRWBKJRYFMHWON-OAHLLOKOSA-N 356.474 3.273 0 1 FGAF CC(=O)Nc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677182 BRQLUZUIJOXGSA-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF CCCCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)O 14819849 RZCPXIZGLPAGEV-GSMXCAORSA-N 354.487 3.043 0 1 FGAF O=C(Cn1c(=O)c2cccn2c2ccccc21)Nc1cc(F)ccc1F 6782289 FGVSUYNDQDKAIA-UHFFFAOYSA-N 353.328 3.171 0 3 FGAF OC[C@@H](NCCCCc1ccccc1)c1ccc(O)c2nc(O)ccc12 1857773847 NDVLICYVHZFVDY-GOSISDBHSA-N 352.434 3.292 0 1 FGAF O=C([C@H](c1ccccc1)n1cnc2[nH]ncc2c1=S)N1CCCCCC1 594140 QMTXHVQZKUWGBF-INIZCTEOSA-N 367.478 3.481 0 1 FGAF CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@@H]3C4)cc2)cc1 102170462 SJJCRPJMKKRQSW-PXNSSMCTSA-N 356.491 3.472 0 1 FGAF CCOC(=O)C(=O)n1cc(-c2ocnc2Br)c2ccccc21 103214942 BLLVTPRZEXYWSV-UHFFFAOYSA-N 363.167 3.262 0 1 FGAF CN(C)c1cc[n+](Cc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)cc1 103262558 VZMQFEIPDOUKKA-UHFFFAOYSA-N 374.532 3.024 0 1 FGAF CSc1nn2c(C)ccnc2c1S(=O)(=O)c1ccc(F)c(Cl)c1 66079134 LYPYSDSVJRKEDT-UHFFFAOYSA-N 371.846 3.385 0 1 FGAF O=C(C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1)C1CCCCC1 26951788 DURBEHWTFDUCJR-GOSISDBHSA-N 357.450 3.260 0 1 FGAF CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)c3ccccc3)cs2)cc1 61897478 ZOGBZSKOSCEUMH-INIZCTEOSA-N 359.476 3.338 0 3 FGAF O=C(c1ccco1)N1CCCC[C@H]1c1nnn(-c2cccc(Cl)c2)n1 49045214 VAFJSTKTOICXIQ-AWEZNQCLSA-N 357.801 3.276 0 1 FGAF Clc1ncnc2c1nc(I)n2[C@@H]1C[C@H]2CC[C@@H]1C2 43200917 CHJYCCXLSMQIBR-XLPZGREQSA-N 374.613 3.445 0 1 FGAF O=C(c1ccccc1Cn1cnc2ccccc21)N1CC[C@H](N2CCCC2)C1 45367296 AQFLIGYSWVGMOU-IBGZPJMESA-N 374.488 3.395 0 1 FGAF CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3C2CCCC2)cc1 87690224 BRBANFJYZRAWJF-ROUUACIJSA-N 362.539 3.374 0 1 FGAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)C1 82142530 BMHRIJWDJVUXSK-GASCZTMLSA-N 354.454 3.455 0 1 FGAF C[C@H](CC(=O)N1[C@@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 195505173 PGWOBVRIBXLYFJ-OEUWWYETSA-N 357.592 3.472 0 1 FGAF C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(Br)cc1 195840481 HNUMVIMHNDQGOR-CQSZACIVSA-N 354.324 3.267 0 1 FGAF Cc1noc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)n1 149995684 MCEYLWILVZLSCZ-UHFFFAOYSA-N 356.426 3.104 0 1 FGAF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(O)c2)NC(=S)N1 96929763 XDEKRCRFUUPNAM-SFHVURJKSA-N 367.474 3.441 0 1 FGAF CC(C)[C@]1(O)CC[C@@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 95912663 MQNDIFGHQSDIOB-QRKBLAFPSA-N 374.477 3.432 0 1 FGAF biogenic,in-vitro Cc1ccc2c(c1)[C@@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473110350 VOEBIDQBMFLTAB-OAQYLSRUSA-N 358.526 3.362 0 1 FGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(F)c1 299839384 RBQUZBRDJKFJCG-UHFFFAOYSA-N 367.760 3.248 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(F)cc2)N1 587736900 VCHBGKOWUJVGOO-QGHHPUGFSA-N 368.221 3.497 0 1 FGAF Oc1cccc([C@H](O)c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586893922 XWICFTDGYFXMLE-ZDUSSCGKSA-N 355.138 3.391 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(C)cc32)N1 587761136 SKYJBUYWPLQHPE-BTDLBPIBSA-N 364.262 3.436 0 1 FGAF O=C1C[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CN1Cc1ccco1 587875881 OMEZAJVGPVOTOJ-LLVKDONJSA-N 367.336 3.077 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)CCCC2=O)N1 587818074 PNTNXYCMGMJSNG-HUTHGQBESA-N 368.246 3.276 0 1 FGAF C[C@H](Cc1ccnn1C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581213 KXHPRZDTEQKPIP-XMLVGPMBSA-N 364.401 3.335 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 586920037 DTBYXIVPWJQMMB-UHFFFAOYSA-N 367.430 3.402 0 1 FGAF COc1cccc2cc3c(nc12)[C@]1(CCCc2sc(N)nc21)NCC3 963050958 DFSZSCUVAVPDLR-IBGZPJMESA-N 352.463 3.008 0 1 FGAF CC(C)(C)N1[C@@H](CC(=O)O)c2cc(C(F)(F)F)ccc2S1(=O)=O 12478473 YTCVDWYDLWAIOJ-JTQLQIEISA-N 351.346 3.024 0 3 FGAF CCCCC[C@H](O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496283 LLQBSJQTCKVWTD-QDFYZIDOSA-N 356.503 3.267 0 1 FGAF endogenous,in-man COC(=O)[C@@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C 13816422 XUMFBWVLWILAGJ-UXPWSPDFSA-N 366.461 3.391 0 3 FGAF CC[C@H]1C[C@@H]2Cn3c4c(c5ccc(OC)cc53)CCN[C@H]1[C@@]4(C(=O)OC)C2 169352315 PQQBBQZUTHWCMK-FTTOULMASA-N 368.477 3.025 0 1 FGAF CCOC(=O)c1ccc(CN2C(=O)[C@H](n3cccc3)c3ccccc32)o1 206025448 BCXLIIIRGMQEKN-GOSISDBHSA-N 350.374 3.394 0 3 FGAF CC[C@H](COC)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166053082 SBHZPZZEKDPIJR-GOSISDBHSA-N 367.449 3.389 0 1 FGAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 1620545 QZIGLSSUDXBTLJ-RSJGLCBASA-N 352.452 3.085 0 1 FGAF O=C(CCc1ccccc1)N[C@H]1CC[C@](O)(c2ccc3[nH]cnc3c2)CC1 101099110 VNNYZMBLLOQECH-LBZQVFOQSA-N 363.461 3.442 0 1 FGAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCCc1c[nH]c3ccccc13)C(=O)C2 3306642 NDEVSVLKYIQLLC-YWZLYKJASA-N 374.506 3.025 0 1 FGAF O=C(NCc1ccccc1F)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 4965608 NEIDTFLGLJNBBA-INIZCTEOSA-N 361.461 3.196 0 3 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1O2 100796085 GWGUPRNQVJIAAS-AAVRWANBSA-N 372.202 3.115 0 1 FGAF CC[C@H](C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 104010692 CBTYCWPUILXVCP-UFGOTCBOSA-N 372.416 3.141 0 3 FGAF COc1cc(OC)c2c(c1)O[C@H](c1c(OC)cccc1OC)[C@H](OC)C2=O 2356551173 SYLLBZVMSOPMCI-WOJBJXKFSA-N 374.389 3.052 0 1 FGAF CC[C@H](C)[C@@H](NC(=O)C=CC=CC=CC=CC1=CN(C)CN1C)C(C)=O 2356823913 GQBNCARFPBZUBK-LAUBAEHRSA-N 357.498 3.007 0 1 FGAF C=C(c1cc(Cl)cc(C)c1OC[C@H](O)CNC(C)(C)C)n1ccnc1 40466137 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RLALZXCHNCPXSU-UHFFFAOYSA-N 363.396 3.244 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1CCc1ccc(Br)cc1 587367105 SPEPGONELLTFLN-UHFFFAOYSA-N 360.211 3.292 0 1 FGAF COCCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587766145 FQTICJKZNVFDOC-GFCCVEGCSA-N 371.294 3.060 0 1 FGAF CCOC(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517404 MRXJPTGABGSTQB-NRFANRHFSA-N 368.433 3.113 0 1 FGAF COc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 587076119 IZBXWVZWDFMJKD-UHFFFAOYSA-N 355.785 3.455 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2C(=O)O)N1 587789330 CUVFXDJRDOAQRI-WJWGPLDTSA-N 353.191 3.238 0 1 FGAF Cc1c(NC(N)=O)cccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587239799 OKVUPXGRXSCAGA-UHFFFAOYSA-N 370.722 3.443 0 1 FGAF COC(=O)Nc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cn1 587244680 HYDPOBDXWPRXIN-UHFFFAOYSA-N 366.150 3.100 0 1 FGAF CS(=O)(=O)/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586923807 WIJKXRXOSDBUNM-NSCUHMNNSA-N 369.162 3.360 0 1 FGAF O=C(NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587569964 HPRMUNXIPRPAEH-FUHWJXTLSA-N 367.401 3.029 0 1 FGAF COC1=C(OC)[C@@H]2C=[N+]3CCc4cc(OC)c(OC)cc4C3=C[C@H]2C=C1 100037192 XXPJAVJXRGUFCB-CZUORRHYSA-N 354.426 3.004 0 1 FGAF COc1ccc(CNC(=O)C[C@]2(C)NCCc3ccc(F)c(C)c32)cc1 962299515 OGJMRKXCHFGLSD-NRFANRHFSA-N 356.441 3.210 0 1 FGAF COc1ccc(C)c2c1NC(=O)[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963116391 WSFMGYODFJGMQL-SZNDQCEHSA-N 352.409 3.359 0 1 FGAF Fc1cccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c1 1772632571 WSUJWPBIANJWOZ-UHFFFAOYSA-N 350.401 3.124 0 1 FGAF O=C(NCCc1cn[nH]c1)c1ccc2oc(CCc3ccccc3)nc2c1 12072414 MTEPHMWIVHEJFA-UHFFFAOYSA-N 360.417 3.309 0 3 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2O[C@@H](CCCCC(=O)O)C[C@H]21 169692163 RJADQDXZYFCVHV-BPZYJLODSA-N 354.487 3.283 0 1 FGAF COc1cc(C(=O)c2cccc(-c3ccncc3)n2)cc(OC)c1OC 1857568601 GWONEPYCFHATJQ-UHFFFAOYSA-N 350.374 3.400 0 1 FGAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](CO)C2 1631524 GWQSWLMEYHNEJW-LBPRGKRZSA-N 374.458 3.094 0 1 FGAF COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3cccs3)c2n1 4238686 MIHRRJCEYIJCBG-UHFFFAOYSA-N 368.393 3.111 0 1 FGAF COc1cc(C(=O)c2cc(N)ccc2-c2ncco2)cc(OC)c1OC 64574016 FUWBPGGOSQAUGP-UHFFFAOYSA-N 354.362 3.181 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29552297 YSYOEUDGXQOEFD-MRXNPFEDSA-N 353.418 3.198 0 1 FGAF CC(=O)O[C@@H]1CC(=O)O[C@H](CC[C@@H]2[C@H](C)C=CC3=C[C@H](C)C[C@@H](O)[C@H]32)C1 2356863091 VDOSGJCSBVSXDK-UXZVJSQASA-N 362.466 3.169 0 1 FGAF Cc1noc(C)c1S(=O)(=O)N1CCCc2nc(-c3ccccc3)ccc21 199725961 JJFUEDCGKPIKBC-UHFFFAOYSA-N 369.446 3.495 0 3 FGAF O=C1CCCc2[nH]nc(-c3nnc(-c4cccc(Br)c4)o3)c21 1911572053 OYVGZHSNAFDQFY-UHFFFAOYSA-N 359.183 3.408 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@H](C2)N(CC2CC2)CC[C@@]341 195291962 XNCWDLBBWYSKHK-VKTSVAJSSA-N 367.489 3.206 0 1 FGAF COc1cc(CCc2cc(=O)c3cc(OC)c(OC)cc3o2)ccc1O 238768314 OOOMLVMYVXQODO-UHFFFAOYSA-N 356.374 3.310 0 1 FGAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Cc1ccncc1 98084139 LDNPUMDNFWHJDG-LIKPIUCQSA-N 366.420 3.474 0 1 FGAF O=c1ccn(CCCCCOc2ccc(-c3ccccc3)cc2)c(=O)[nH]1 96906993 KZNSDZHIVUWFHH-UHFFFAOYSA-N 350.418 3.453 0 1 FGAF C[C@@H]1C[C@]2(CN1C1CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582875 OQKWCCWSMWZWDN-LZHZSBQWSA-N 351.402 3.349 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 586916105 KGRMOTVLHLQGMA-UHFFFAOYSA-N 351.200 3.006 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(=N)[nH]2)N1 587855566 WQIICUYSKQIBBE-WJWGPLDTSA-N 356.264 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccn(C)n1)[C@@H](C2)C3=O 587429503 VMGVQTUZKGVEFY-HRAATJIYSA-N 364.376 3.259 0 1 FGAF N=c1[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc-2c(Cl)[nH]1 587017620 NUBSZOQQNZUYED-UHFFFAOYSA-N 364.221 3.209 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cnc4c1OCCO4)[C@@H](C2)C3=O 587424415 ZGHKGXZPSGTMHD-MGPLVRAMSA-N 359.765 3.004 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cncc(Cl)c3[nH]2)CCC(=O)CC1 587235742 QMSMCWYXIGUQHP-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF COC(=O)[C@@H]1C=C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809037 PULLZIOPKWOZQE-IEVXNVSRSA-N 354.219 3.067 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccnn1CC)CC2=O 587475434 LVWNKDJHEWEKFR-BUVUWQSRSA-N 369.465 3.497 0 1 FGAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587169589 ZWQMMTCEDNTMTP-NSHDSACASA-N 363.414 3.092 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(C)cc1 587216872 PASHXFCMCHFXNN-OAHLLOKOSA-N 351.406 3.062 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)n(C)c4ccccc14)[C@@H](C2)C3=O 587430336 GUKMDGPGKZKQDX-RNODOKPDSA-N 363.369 3.374 0 1 FGAF COC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587804278 DJDDOAWAKVMXIP-QEKSWQHZSA-N 356.235 3.291 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586962303 PSCYIXDDIHGWAM-BYPYZUCNSA-N 357.773 3.426 0 1 FGAF COc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259057 DAUHZHBRPZDYMT-INIZCTEOSA-N 368.437 3.278 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(N3CCCC3)s1)NCC2 962927578 RXIREFYWLVMBKT-IBGZPJMESA-N 355.507 3.285 0 1 FGAF COC(=O)C[C@@H]1CCCC[C@]12NCCc1cc3cccc(OC)c3nc12 963050379 CVWKLDBFDWVFOD-KKSFZXQISA-N 354.450 3.338 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(Br)c(C)nn1C 963271532 VGGQLSXCKRAWCL-AWEZNQCLSA-N 370.678 3.388 0 1 FGAF Brc1ccc(Cn2nnc3c(Br)cccc32)nc1 1857560139 ZAGFZECJOFXZRH-UHFFFAOYSA-N 368.032 3.400 0 1 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3F)ncc12 1772627807 KTTVNIBUOPGVMV-SECBINFHSA-N 372.360 3.158 0 1 FGAF CC(C)(C)C(=O)NCCCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3 13443413 DPPCNMGUWQNGFW-RTBURBONSA-N 355.526 3.163 0 1 FGAF C/C=C1\C(=O)NC=C(C(=O)OC)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 14583378 OVCQNYKEUACHQG-GLDPUFHNSA-N 361.401 3.008 0 1 FGAF COc1cc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cc(F)c1F 204421925 GGRXTIMHWNGHLK-INIZCTEOSA-N 354.372 3.281 0 1 FGAF N[C@H]1CCCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1 205243647 LYXMIPMPXXMDMV-INIZCTEOSA-N 371.448 3.009 0 1 FGAF O=C(C=Cc1ccc2c(c1)OCO2)OCC=Cc1ccc2c(c1)OCO2 1857612067 YUNCNJVPRGUNFC-UHFFFAOYSA-N 352.342 3.414 0 1 FGAF CN(C)CCOC(=O)Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1 1857656798 XFSYCNYYAZONSH-UHFFFAOYSA-N 370.384 3.043 0 1 FGAF Cc1cc(F)ccc1O[C@@H]1C=C[C@H](c2ccc3c(c2)OCO3)O[C@@H]1CO 7992608 CBOKKADTZKMXAM-YVWKXTFCSA-N 358.365 3.299 0 1 FGAF CO/C(O)=C1\C(C)=Nc2nc(S)nc(O)c2[C@H]1c1ccc(OC)cc1 101653052 WAPUSEYRUGAAOS-JASJWYONSA-N 359.407 3.133 0 1 FGAF CC[C@@H]1C/C=C\Cc2ccccc2[C@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 61959164 GQHJEOPNYJIXRG-NEQVBVJOSA-N 358.434 3.099 0 3 FGAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C(C)(C)O2 28770735 MVBQTELLJNMNRW-WBVHZDCISA-N 359.447 3.262 0 1 FGAF C[C@@]12C[C@H]3C=C(Cc4ccccc4)[C@@H]1[C@H](O)[C@@]1(CO)CC[C@@H]1[C@@](O)(C3)C2 2356779961 GYLMOFNQXNCIAR-LGTZYOGKSA-N 354.490 3.086 0 1 FGAF Cc1nc(NCc2ccc(-n3ccnc3C)cc2)cc(C2CCNCC2)n1 39536948 DBVFGCOJKKVCLN-UHFFFAOYSA-N 362.481 3.358 0 1 FGAF COc1cc(Nc2cncc(Nc3ccncc3)n2)cc(OC)c1OC 40937702 FWUVOKGKHMWHSU-UHFFFAOYSA-N 353.382 3.385 0 1 FGAF CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)ccn1 149883818 ZWIWJDJMCWUCMW-MRXNPFEDSA-N 361.829 3.047 0 1 FGAF CC(=O)N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586987285 MQGJOMWHXIDJRD-GFCCVEGCSA-N 358.397 3.145 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccccc2)N1 587827006 MLGROJXASMOSDU-APPDUMDISA-N 350.231 3.358 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N2CCOCC2)N1 587769432 BAOWWIXFFGSALP-COUNWCFPSA-N 369.278 3.184 0 1 FGAF CCCC(Br)(CCC)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586971862 ZJHMHRVDNALOHV-UHFFFAOYSA-N 374.304 3.401 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1COCCO1 587866111 SKIDRCJGEIZRBO-CQSZACIVSA-N 370.327 3.023 0 1 FGAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)n1 587079101 HHOQTJPKSGYFAK-SECBINFHSA-N 352.847 3.454 0 1 FGAF Cn1c(=O)n(C)c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587519301 YFKKEXKSVGRPJB-HXUWFJFHSA-N 362.429 3.462 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(O)nc(S)nc2[nH]1)C1CCCC1 587225486 KZILFQNAZFANMX-SECBINFHSA-N 365.459 3.103 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(F)nc(N4CCCC4)c1)[C@@H](C2)C3=O 587428660 PQEBKPSEMWZQQO-VBKZILBWSA-N 354.381 3.318 0 1 FGAF C=C(NC(C)=O)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587202229 BISUYIHUQITRIB-UHFFFAOYSA-N 368.368 3.339 0 1 FGAF COc1ccccc1C[C@]1(C(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963112489 TTZUMYFPFBAEOS-HRAATJIYSA-N 355.409 3.377 0 1 FGAF COc1ccc2[nH]c3c(c2c1)CC[C@]31NC[C@@H]2CC(=O)N(C)c3cccc1c32 963028310 OZGLOFXJEGIUKI-ZAMGYDSWSA-N 373.456 3.420 0 1 FGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962956576 YNGBSJADIRHREC-GIWSNZPPSA-N 352.434 3.343 0 1 FGAF CCCn1c(=O)c2[nH]c([C@H](CC)Oc3ccccc3)nc2n(CCC)c1=O 13861084 WJLDORKPWRJJQU-HNNXBMFYSA-N 370.453 3.236 0 1 FGAF Cc1c(C(=O)N2CCOCC2)sc2ncnc(N3CCCCCCC3)c12 14954079 YUMACJLEJNVZDR-UHFFFAOYSA-N 374.510 3.243 0 1 FGAF CN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1 169347458 RCUWJYHRBAZBHZ-UHFFFAOYSA-N 374.448 3.122 0 1 FGAF CCCCCCn1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1ccccc1 169706943 XBNMDUMCSLBELI-MRXNPFEDSA-N 354.454 3.205 0 1 FGAF NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857637735 PKCZBLSSAHVTNN-UHFFFAOYSA-N 362.414 3.006 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@]12C 2356402909 UWQVIOGQUQQNPO-CNKBTWFCSA-N 372.417 3.235 0 1 FGAF CCOC(=O)N1CCC(NCc2c(C(=O)O)n(CC)c3ccccc23)CC1 6803413 AKIAMLMLDGWRBZ-UHFFFAOYSA-N 373.453 3.070 0 1 FGAF COC1=C(OC)C[C@H]2C(=C1)[C@@H]1c3cc(OC)c(OC)cc3C[C@@H]2N(C)[C@@H]1C 102037925 MLAVZBYGVBERLG-QNFRXREESA-N 371.477 3.497 0 1 FGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccc2)CC1 27900928 FPJSBVMDCXDPKV-UHFFFAOYSA-N 369.509 3.412 0 1 FGAF COc1ccc([C@H]2[C@@H]3COc4ccc(OC)cc4C3=NN2C(C)=O)cc1 28634985 ZWLFZOXOJJFBDE-XLIONFOSSA-N 352.390 3.020 0 1 FGAF COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)c1 2356690093 MGDNKOAMJCAUJL-PZBISTMVSA-N 372.417 3.493 0 1 FGAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2N(C)C)NC(=O)CC3)cc1C 64693674 JTMUYMFTDPYETO-UHFFFAOYSA-N 373.478 3.055 0 1 FGAF CC1=Cc2ccc3c(c2CN1[C@@H](CC(C)C)C(=O)O)O[C@H](C(C)(C)O)C3 2356850921 QBWKCFRZKSLFEQ-ROUUACIJSA-N 359.466 3.437 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(Cl)cc2)C1 36380564 CNZLJDVJERGGTM-UHFFFAOYSA-N 364.902 3.397 0 1 FGAF COc1c(OC)c(OC)c2c(=O)cc(-c3cccc(O)c3)oc2c1OC 73198014 HALLJFAXBUXHHO-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23CN4CCC[C@]4(C[C@H]12)C(=O)N3 40873926 DXPVAKSJZFQGSS-HBGVWJBISA-N 369.896 3.378 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nccs3)n2n1 40404775 XVUFLIJSHAIGMS-UHFFFAOYSA-N 365.422 3.056 0 1 FGAF CC(=O)N1N=C(c2c(O)[nH]c3ccccc3c2=O)C[C@H]1c1ccccc1C 96938795 USNMYXAWYQQUJI-SFHVURJKSA-N 361.401 3.240 0 1 FGAF COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 146056815 BAZFJAUFOQVQGK-CZUORRHYSA-N 363.417 3.209 0 1 FGAF CCOn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=O 98084077 HLRFCOKZYWEREQ-UHFFFAOYSA-N 361.250 3.006 0 1 FGAF CC(=O)Nc1cccc(Nc2cc3cc(NC(N)=O)ccc3nc2O)c1 299836844 ICGHEYVVCGEMCC-UHFFFAOYSA-N 351.366 3.133 0 1 FGAF COC(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1OC 587112104 KNPXCSKCJQJWDR-UHFFFAOYSA-N 353.300 3.382 0 1 FGAF CCOC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586967618 CJRZEVSCIYXXQF-UHFFFAOYSA-N 357.391 3.125 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3nncn3C)o1)O2 587412252 YGMQSFZFKVTUHJ-CQSZACIVSA-N 356.407 3.156 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(Cl)c4[nH]3)cc12 587038081 QDVFAUWNCVPSOI-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF CC(=O)N[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340916 WDGTZFUNIXERDT-PEECDGGASA-N 357.381 3.174 0 1 FGAF COC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1OC 587059740 VRUGGSUNLHPYPA-ZDUSSCGKSA-N 359.813 3.254 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCC(=O)O)c1)[C@@H](C2)C3=O 587444096 YCHSAQRDOUEPQM-MGPUTAFESA-N 354.358 3.037 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 586953588 VFZLJQXYQDYVES-UHFFFAOYSA-N 359.854 3.275 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587780819 JHHDINAWYLNBLG-RMKNXTFCSA-N 371.462 3.043 0 1 FGAF COc1ccc(/C=C/Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(OC)c1 587929700 OVNMCSGNCLXBKX-ONEGZZNKSA-N 374.418 3.083 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587454919 ZIMAPXNIUBPXEE-LHSJRXKWSA-N 364.353 3.007 0 1 FGAF COc1ccccc1C[C@]1(C(=O)O)c2c(F)cccc2C[C@H]2CCCN21 963112495 TTZUMYFPFBAEOS-IIBYNOLFSA-N 355.409 3.377 0 1 FGAF NC1CCC(NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CC1 95364458 BILJHQPXWIWYQP-UHFFFAOYSA-N 352.413 3.140 0 1 FGAF CCN1C=C(C(=O)O)[C@]2(NCCc3cc(C)c(F)cc32)c2ccccc21 962298386 LKGJRBOPNRCETR-NRFANRHFSA-N 352.409 3.332 0 1 FGAF C[C@@H]1C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc2O1 12472359 QZEZNMUOSGMGOE-PSASIEDQSA-N 374.673 3.120 0 3 FGAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C(=O)O)cc2)c1C 13782411 WBMHDTWVFLHFRA-UHFFFAOYSA-N 372.402 3.457 0 1 FGAF CC(C)[C@H](CO)NCc1nc(N2CCc3c(F)cccc3C2)ccc1F 204422416 YZEHXOAIYIUZSK-IBGZPJMESA-N 361.436 3.029 0 1 FGAF COc1cc(C=CC(=O)O[C@@H]2C[C@@H]3[C@H](C)CN(C)C[C@@H]3[C@H]2C)ccc1O 2356501114 OFDLBJAQGFWTKC-RKVZRBGQSA-N 359.466 3.180 0 1 FGAF Cn1c(C(=O)NCc2cccs2)cc2c(=O)n(C)c3ccccc3c21 4938815 UVHXCBHPGHRYJO-UHFFFAOYSA-N 351.431 3.022 0 3 FGAF aggregator CN1CC[C@]23c4c5ccc(-c6cccs6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 26505201 GCOSDJFUWOWPBP-OBRACTJBSA-N 351.471 3.221 0 1 FGAF CCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26389073 YJLVMNYHBPCQKV-LLHFBMELSA-N 358.526 3.378 0 1 FGAF c1cc(-c2coc(-c3ccc(C4=NCCN4)cc3)c2)ccc1C1=NCCN1 26380536 ORXYBTZJXWABKW-UHFFFAOYSA-N 356.429 3.313 0 1 FGAF CCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1 66105152 UVSUBSUQJCSROL-UHFFFAOYSA-N 358.833 3.305 0 1 FGAF C[C@@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356583713 FAFFALJLKNGYLA-HLFUQLGGSA-N 362.510 3.148 0 1 FGAF CN1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3N(C)[C@H]12 27438904 TZWAHCVRZYUKJR-FPOVZHCZSA-N 351.450 3.344 0 1 FGAF CCOCCn1c(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 34593664 GEDWDORUFBMJEJ-UHFFFAOYSA-N 364.493 3.395 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2 6018932 DMFHLLHXYQJPJS-HNNXBMFYSA-N 369.417 3.017 0 1 FGAF biogenic CC(C)CS(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72102042 DXFDFOLDANWFLJ-OAHLLOKOSA-N 373.400 3.160 0 1 FGAF COc1cc(-c2cc(=O)n3ncc(-c4cc(C)no4)c3[nH]2)ccc1Cl 142681374 DTHUQXDLUJOGRE-UHFFFAOYSA-N 356.769 3.315 0 1 FGAF CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21 95593991 VRJHLQCRQKFOQK-UHFFFAOYSA-N 352.438 3.486 0 1 FGAF COC(=O)[C@]12CCCC3=C1[C@@H](C[C@H](C)[C@@]31C[C@H](c3ccoc3)OC1=O)OC2 95561346 HXZOVFHWQXUMMV-WNSPWUEXSA-N 372.417 3.333 0 1 FGAF Cn1cc(-c2cc(F)c3nnc(Cc4ccc5ncccc5c4)n3c2)cn1 299864662 RSYQUPWEDGBZLK-UHFFFAOYSA-N 358.380 3.408 0 1 FGAF Cc1ccc(CN2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)s1 299843505 SMAPUDSDKQVXPF-WOJBJXKFSA-N 357.523 3.317 0 1 FGAF COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(OC)nc1)cn2C(C)C 653790373 DNXSNHIJQYNKON-UHFFFAOYSA-N 367.405 3.456 0 1 FGAF Fc1ccc(-c2cnn(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 587165354 RUUPAWWAWJVAIH-UHFFFAOYSA-N 362.290 3.374 0 1 FGAF CCOC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398171 CIELFNCUBGROJL-OAQYLSRUSA-N 353.418 3.477 0 1 FGAF OCc1cccc(-c2nc3cccc(I)c3[nH]2)c1 586895010 KRGDMLXESMMHKE-UHFFFAOYSA-N 350.159 3.327 0 1 FGAF CC(=O)c1ccc(-c2cc(-c3nc4c(O)nc(O)nc4[nH]3)ccc2F)cc1 587139243 DLRYCEHSMYHBKO-UHFFFAOYSA-N 364.336 3.440 0 1 FGAF O=C(NCc1nc2cc3c(cc2[nH]1)OCCCO3)c1cc2c(s1)CCC2 587034774 LNSXKONWYQHWEQ-UHFFFAOYSA-N 369.446 3.204 0 1 FGAF COC(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592182 IUPLEDONKNLDOG-LFRPXUGBSA-N 368.385 3.456 0 1 FGAF CC(=O)C[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587827350 KROJJQTXPSEWTM-FVMDXXJSSA-N 372.234 3.162 0 1 FGAF Cn1c(=O)n(C)c2cc([C@@]3(C)c4c(F)cccc4C[C@H]4CCCN43)ccc21 963103784 OBDCPSLFYJYQPV-ZHRRBRCNSA-N 365.452 3.300 0 1 FGAF CC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730257 MNODUOJBCUBNJV-CXAGYDPISA-N 366.339 3.012 0 1 FGAF CCOC(=O)[C@H](C(C)C)[C@]1(C(=O)OCC)NCCc2c1sc(C)c2C 963016342 YHPQNMWZSXCBKU-KXBFYZLASA-N 367.511 3.104 0 1 FGAF Cc1cnccc1[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962668616 PCPYDTFZOLZQJD-VXKWHMMOSA-N 361.445 3.300 0 1 FGAF Cc1cccc(C#CC=C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 141233433 QMHJUOODIJYSDC-UHFFFAOYSA-N 352.459 3.153 0 1 FGAF COC[C@@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)C1 11948729 AHYMHBMFTOOMFA-OAHLLOKOSA-N 370.449 3.241 0 3 FGAF COc1cc(C(=O)O)ccc1NC(=O)NC(=O)c1ccc(F)cc1Cl 13673934 PJOVCJSOUOTQQB-UHFFFAOYSA-N 366.732 3.148 0 1 FGAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2F)cc1)C(F)(F)F 13760204 BWSPNJIWXYYHAT-MRXNPFEDSA-N 355.287 3.309 0 1 FGAF CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1 169341659 CNJLQPMEVJPMIO-UHFFFAOYSA-N 367.474 3.272 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cc(F)ccc2F)nn1 203462468 IOUPUHNXKQWEEX-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF Cc1cc(C(=O)O)nn1Cc1cc(F)cc2sc(N3CC=CCC3)nc12 208120207 HRFUJPYFYAKIDD-UHFFFAOYSA-N 372.425 3.453 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc2c(c1O)C[C@@H](O)C(C)(C)O2 1857609109 KECLBQZTTOPYHT-QGZVFWFLSA-N 356.418 3.038 0 1 FGAF C[C@@H]1CNC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857753584 RSGGBJVXPLVEJD-IUODEOHRSA-N 373.403 3.095 0 1 FGAF CCN(CC)CCCN1C(=O)C[C@]2(CCCc3ccc(Cl)cc32)C1=O 27617830 MBDTZZFYWBBPEB-FQEVSTJZSA-N 362.901 3.405 0 1 FGAF CCOC(=O)[C@H]1CC(c2ccc(OCCc3ccc(CC)cn3)cc2)=NO1 103296683 USRDFVHLJMECJO-HXUWFJFHSA-N 368.433 3.322 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3CC3CCCCC3)n2)=CN1 2356861832 GYSGZHNAAZUAJY-QGZVFWFLSA-N 356.494 3.338 0 1 FGAF COC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 36331837 ALLSUGWAFKQBQJ-MAUKXSAKSA-N 367.430 3.237 0 1 FGAF COc1cc2c(cc1OC)-c1cc3cc(O)c(OC)c(OC)c3c[n+]1CC2 139359056 UORJSDWCVYZJLA-UHFFFAOYSA-O 368.409 3.090 0 1 FGAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1nccs1 1911573069 SMNVKLAVWUZGJF-LBPRGKRZSA-N 370.261 3.262 0 1 FGAF Cc1cc(C(=O)NCCO)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12 222321549 ZXWANJABEMQGRP-UHFFFAOYSA-N 363.339 3.279 0 1 FGAF CC(C)N1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C 144830406 VXRJEJMWRCEASF-UHFFFAOYSA-N 352.413 3.445 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cc2)cn1 149881197 VTZQEYGSKCJWEJ-UHFFFAOYSA-N 362.437 3.179 0 1 FGAF CC[C@@]1(Cn2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344645 XIKVXVZYAGWCDB-ICSRJNTNSA-N 367.380 3.331 0 1 FGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccnc(O)c2[nH]1 587000980 PXFAAGVNSRFVRM-NSHDSACASA-N 372.226 3.150 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccccc12 587797302 WEIHNQYOEAYVTR-XYZCENFISA-N 361.214 3.318 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CN3CCOCC3)c1)O2 587401619 ULXQIXRXTLLYTF-FQEVSTJZSA-N 352.434 3.116 0 1 FGAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1c(C)nn(C)c1C 587627459 XESGKEZPWCSFJS-UHFFFAOYSA-N 359.813 3.498 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(=O)O)cc3[nH]2)C(F)(F)C1 587131746 BVZRDFOPAOCZNK-SNVBAGLBSA-N 367.352 3.231 0 1 FGAF COC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 587080949 VSYMHIYMQAOZCF-GFCCVEGCSA-N 369.812 3.122 0 1 FGAF COCn1ncc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763869 NASKDHHOHFHLRR-ZUZCIYMTSA-N 368.250 3.321 0 1 FGAF C[C@@]1(c2cc3ccccn3c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227558 QDSXRZNHBGDARV-UNMCSNQZSA-N 357.413 3.350 0 1 FGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1C[C@H]1CCCO1 962919709 KYAMAJNHTNRTGD-MOXGXCLJSA-N 372.440 3.111 0 1 FGAF Cc1ccc(Sc2ccc3cc4n(c(=O)c3c2)C(=S)NC4=O)cc1 1772598449 HWOQNDCDHWCGPM-UHFFFAOYSA-N 352.440 3.338 0 1 FGAF CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1 11972554 LVAWIRLFTOIUMA-QGZVFWFLSA-N 374.412 3.352 0 1 FGAF CCCN(CCc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1 13471439 BRFFPGSHDFIFKS-UHFFFAOYSA-N 361.511 3.164 0 1 FGAF COc1cc(CNc2nc3nc(C(C)C)cc(O)n3n2)ccc1OC(C)C 15668972 BVCLCRPVJWVJGQ-UHFFFAOYSA-N 371.441 3.361 0 1 FGAF Cc1cccc(C)c1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1 15935672 KGDGRBULSPGCSR-UHFFFAOYSA-N 372.494 3.251 0 3 FGAF OCc1ccc(-c2csc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)cc1 220716728 WUBVZJYXHNWOKD-IBGZPJMESA-N 366.490 3.433 0 1 FGAF O=C(Cc1ccc(Br)cc1)N1CCCC[C@@H]1CN1CCCC1 3775811 FQMJNNUMEYMJCW-QGZVFWFLSA-N 365.315 3.469 0 1 FGAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356300815 SNCOCXJKZADMMK-MNEFBYGVSA-N 358.507 3.239 0 1 FGAF COc1ccccc1NC(=S)Nc1cnn(Cc2c(C)noc2C)c1 115730960 AFZVNBNXHHHQGB-UHFFFAOYSA-N 357.439 3.354 0 1 FGAF N[C@H](C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1 29125827 BOGRGBJASHXDLV-RDJZCZTQSA-N 371.506 3.378 0 1 FGAF OCCOc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114334208 PDNRANQFZBPQEF-IBGZPJMESA-N 366.465 3.011 0 1 FGAF Cc1c(C(=O)CN2CCOCC2)c(C)n(C)c1C(=O)c1ccc(Cl)cc1 29326619 CJMLKOCVVJVPKV-UHFFFAOYSA-N 374.868 3.041 0 1 FGAF CC(C)c1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1 74378266 ZENKTQUATHGPRH-RTBURBONSA-N 370.474 3.234 0 3 FGAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c1O 13375593 ODMVDRJFBPXTRQ-UHFFFAOYSA-N 360.362 3.043 0 1 FGAF biogenic Cc1cc(OCCc2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C)n1 1911577158 ILXZJDWUEGBJIY-ZHRRBRCNSA-N 366.461 3.476 0 1 FGAF CCC[C@H](C(=O)c1ccc(N)c(I)c1)N1CCCC1 42919844 OCJJDONQQSQZLT-CQSZACIVSA-N 372.250 3.321 0 1 FGAF in-vitro COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl 144303065 SDDACSRCXKTQLR-UHFFFAOYSA-N 361.825 3.444 0 1 FGAF Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3cn(C)cn3)C2)n1 257240783 HVFHBUDKAJHZIU-MRXNPFEDSA-N 351.454 3.152 0 1 FGAF CN(C)CCOc1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 587243567 GIXAQYGIRRMYCX-ZHACJKMWSA-N 350.422 3.155 0 1 FGAF O=S(=O)(O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142527 DIJBPSSBMZUZSY-UHFFFAOYSA-N 371.187 3.378 0 1 FGAF COC(=O)/C=C(\C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810676 VPLGQWPWXKQJQV-AFPMPGOHSA-N 356.235 3.457 0 1 FGAF O=C(O)c1cc(F)cc2nc(C(F)(Br)Br)[nH]c12 587086485 ANLGQWRHZKIIDC-UHFFFAOYSA-N 369.947 3.270 0 1 FGAF COC(=O)c1ccnc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c12 587067972 DMQQIDZZYZBLRJ-UHFFFAOYSA-N 353.769 3.455 0 1 FGAF Cc1cc(F)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 586927686 WSCQUDFLPHPWKV-UHFFFAOYSA-N 360.410 3.229 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)c[nH]1 587253740 DDARZJVZUWZBLM-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF CCS(=O)(=O)NCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586943103 VPCPFMXOMPGHAB-UHFFFAOYSA-N 367.418 3.047 0 1 FGAF Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Cl 587651997 SIQUUAVEBITNQJ-JTQLQIEISA-N 365.220 3.418 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cc(C)cc(C)c4)n1)[C@@H](C2)C3=O 587432118 NHLMREJNHPFNBH-KKSFZXQISA-N 361.401 3.381 0 1 FGAF Cc1c(I)cnn1[C@@H](C)c1nc2cccc(F)c2[nH]1 587183325 XGHYIHJOSVKLGG-QMMMGPOBSA-N 370.169 3.421 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587079552 JFOBEXNQRFONAT-CYBMUJFWSA-N 369.812 3.122 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587059978 WZWBFCFFUFQUSS-AWEZNQCLSA-N 363.870 3.252 0 1 FGAF CCOC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599117 VOIGRLJEWBEGHA-FXAWDEMLSA-N 356.374 3.456 0 1 FGAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962932509 QIUQXZWJVJDXND-QFIPXVFZSA-N 374.488 3.426 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 963607690 JYTLSWQFBAOYKO-CDEPPOAISA-N 372.509 3.135 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(C)(C)Cc2c1cnn2C 963636164 PZUXRRJGTXVZSN-YEJXKQKISA-N 355.482 3.188 0 1 FGAF COc1c(Cl)ncc(Cl)c1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892925 FLAJQRPRYGUVAT-AAEUAGOBSA-N 371.195 3.224 0 1 FGAF O=C(Nc1ccc(F)c(F)c1)c1cc(NS(=O)(=O)C2CC2)ccc1F 141811550 SGVSRXMTCYVLHU-UHFFFAOYSA-N 370.352 3.260 0 1 FGAF O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NCCc1ccccc1 5534782 ZENQLJFWOXAYOH-UHFFFAOYSA-N 366.244 3.438 0 3 FGAF CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1 13680756 KGZOLDJCYCARQA-UHFFFAOYSA-N 365.256 3.310 0 1 FGAF COc1ccc(CN=c2ccnc(NC3CC(C)(C)NC(C)(C)C3)[nH]2)cc1 1857608560 QSMQTCABAXHRMN-UHFFFAOYSA-N 369.513 3.240 0 1 FGAF Cc1c(C(=O)N2CCCC2)sc2ncn(Cc3ccccc3F)c(=O)c12 2911033 YSOMMDRIGWHTGY-UHFFFAOYSA-N 371.437 3.190 0 1 FGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCC(C)(C)CO 4273886 LPXBRSVJBNUEOQ-SJORKVTESA-N 350.459 3.428 0 1 FGAF O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)[C@@H]1C(=O)c1cccs1 109430934 UROSSQCXPFRKPA-VXGBXAGGSA-N 374.468 3.422 0 1 FGAF CCCCCC=CC[C@H](O)[C@@H](O)[C@H](O)C=CCC=CCCCC(=O)O 2356306185 GOHNIXDAQODZKP-NLWGTHIKSA-N 354.487 3.353 0 1 FGAF CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3ccccc23)CC1 22931060 VRGKADOJCYTXCK-UHFFFAOYSA-N 362.477 3.110 0 1 FGAF CCc1cc(-c2ccccc2)cc(CC)[n+]1-c1ccc(S(N)(=O)=O)cc1 27998317 DSYGNCQUDBLAAA-UHFFFAOYSA-N 367.494 3.403 0 1 FGAF C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccccc1Cl 26004926 FVEFNLKTYCLOKS-RBUKOAKNSA-N 360.816 3.471 0 1 FGAF CNCCNC[C@H](Cc1cccc2ccccc12)NCCc1ccccc1 61959724 DTOHMAHPFQUQPC-QHCPKHFHSA-N 361.533 3.392 0 3 FGAF COc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1 3197545 VYHHSBHXZVSILO-UHFFFAOYSA-N 368.341 3.319 0 3 FGAF biogenic,in-vitro O=S(=O)(c1ccccc1)n1nc(-c2ccc(CO)o2)c2ccccc21 73199132 FRBSVLWWRPDTSV-UHFFFAOYSA-N 354.387 3.026 0 1 FGAF COc1ccc(-c2coc3c(OC)c4c(cc3c2=O)OCO4)cc1OC 14646147 FQXYFOBPAVOMQY-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic CCCCN(C[C@](C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1 72126101 XLGJKKNASXOOKD-IBGZPJMESA-N 363.479 3.091 0 1 FGAF Cc1csc(-c2nc(CCC(=O)O)[nH]c2-c2ccc3c(c2)OCO3)n1 73311900 KYHCYVWLWCHRHC-UHFFFAOYSA-N 357.391 3.255 0 1 FGAF Cc1[nH]c(C(=O)NC2CC2)c(C)c1C(=O)c1ccc(C(F)(F)F)cn1 1911579855 FZZNZMHZLQDSPM-UHFFFAOYSA-N 351.328 3.169 0 1 FGAF CC1(C)C[C@@](C)(c2cc(NC(=O)c3ncccc3F)ccn2)N=C(N)S1 43200409 YDJXVZIDQIWZQL-SFHVURJKSA-N 373.457 3.313 0 1 FGAF O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5cncnc5)nc34)cc21 222415574 RQGHKTDVDKITFW-UHFFFAOYSA-N 356.389 3.049 0 1 FGAF COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)cc(OC)c1 40402761 IPAVXHROMCZEEK-MRXNPFEDSA-N 369.425 3.155 0 1 FGAF CC(=O)Nc1cccc(-c2cnc3ccc(NCCc4ccccn4)nn23)c1 96907640 RUPWGHJTCUFFFE-UHFFFAOYSA-N 372.432 3.404 0 1 FGAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O 95561631 HRSYZRFBUGIVHN-MRXNPFEDSA-N 368.868 3.130 0 1 FGAF CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(C(F)(F)F)c1 263620501 HEAUHZMVJKXAQR-UHFFFAOYSA-N 366.431 3.432 0 1 FGAF in-vitro COCCCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 299822086 OMMKXXNPSABHEY-UHFFFAOYSA-N 362.499 3.477 0 1 FGAF NC(=O)c1cncc(OCc2cccc(NC(=O)C3CCCCC3)c2)c1 653878781 PARCGDSGKRVWQR-UHFFFAOYSA-N 353.422 3.278 0 1 FGAF CSc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586951413 MMEWWSXZASDIQL-UHFFFAOYSA-N 354.482 3.088 0 1 FGAF CC[C@]1([C@@H](F)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587723258 WGIQAGONHWIFTI-AFEMSUNCSA-N 362.214 3.239 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(N(C)C)cc1 587649860 CTMPMTZXUDYSPZ-UHFFFAOYSA-N 371.462 3.198 0 1 FGAF C=CN1CC[C@@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393177 GNEANTWPTKMBET-VGOFRKELSA-N 362.429 3.430 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755460 OMRXWGRFXDCPDN-DIFFPNOSSA-N 371.294 3.498 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3cn[nH]c3cc2[nH]1 586984057 NAUHVXWVWHCALJ-LBPRGKRZSA-N 356.227 3.444 0 1 FGAF O=C(/C=C/c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccc(F)cc1 587167001 MKCMFVXMLXZJRM-SOFGYWHQSA-N 350.353 3.239 0 1 FGAF Sc1nnc(SCc2nc3c(Br)ccnc3[nH]2)s1 587025034 IKIGGNCUUNPHDF-UHFFFAOYSA-N 360.287 3.153 0 1 FGAF Cc1ncsc1-c1c[nH]cc1-c1nc2nc(Br)c[nH]c-2n1 587027688 FXVBBVVRDWTYQO-UHFFFAOYSA-N 361.228 3.494 0 1 FGAF CCN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348361 WKBFLUMYESTFNS-CTNGQTDRSA-N 369.392 3.271 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006025 FPLDJWIXKZRXAX-UHFFFAOYSA-N 362.212 3.029 0 1 FGAF CC1(C)CN[C@@]2(CCOCC[C@@H]2C(F)(F)F)c2c1ccc1c2OCO1 963391704 XCNLHAQDGAGNLW-SUMWQHHRSA-N 357.372 3.480 0 1 FGAF COc1ccc(OC)c([C@@]2(CCCC(=O)O)NCCc3c(C)ccnc32)c1 963074818 YHEHXQFLDKFMOY-OAQYLSRUSA-N 370.449 3.051 0 1 FGAF CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1(C#N)CC1 214393045 UXYWRPKODJHGIP-LSDHHAIUSA-N 353.388 3.467 0 1 FGAF CCCN1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835334 RJZBLYAGUIFGMM-HXUWFJFHSA-N 353.462 3.340 0 1 FGAF CN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1 1857611044 QMGAQVMXBWMZJF-UHFFFAOYSA-N 356.491 3.247 0 1 FGAF COc1cc(Cc2nnc(O)cc2OCc2ccccc2)cc(OC)c1 1857644313 XRYJJYNKYLNXLA-UHFFFAOYSA-N 352.390 3.369 0 1 FGAF CC(=O)O[C@@H]1CC=C(C)C[C@H]2O[C@H]3[C@@H]4[C@H]2C(C)=CC(=O)[C@@H]4[C@@H](C)CO[C@]31C 253664826 GLBPZQWCAQTCDO-HMUOFMRJSA-N 374.477 3.228 0 1 FGAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C 2356332032 ZLLOIFNEEWYATC-CMKQGYTDSA-N 364.869 3.375 0 1 FGAF CC(=O)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1 2457469 BOVDXQIUSFTFIT-GOSISDBHSA-N 350.503 3.166 0 1 FGAF CCOCCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC(C)(C)O3 6940635 RUVKZAJBWSCBDX-ZDUSSCGKSA-N 361.438 3.492 0 3 FGAF CC/N=c1\c(NC(=O)c2cc(OC)cc(OC)c2)c(O)oc2ccccc12 103532201 UKBHEANTMCKNHV-FXBPSFAMSA-N 368.389 3.329 0 1 FGAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC(C)=O)C=C3C)[nH]c2n1 2356286843 RXISMJKWPMTJAY-BBWFWOEESA-N 370.497 3.500 0 1 FGAF Fc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cncnc3)cc2)c1 100114237 CGRVLYNUZIZELK-ZBYYUNFXSA-N 360.436 3.223 0 1 FGAF COc1cc(C[C@H](O)[C@H]2CCC[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 2356398495 TWMAEJHJSZFXRX-GBESFXJTSA-N 374.433 3.329 0 1 FGAF CCCCN1CCC(COC(=O)c2ccc(NC)c3c2OCCO3)CC1 64539737 FUVDNPHAHOZLFG-UHFFFAOYSA-N 362.470 3.168 0 1 FGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 2356494903 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SIPRRMOTFSPECJ-HNNXBMFYSA-N 366.465 3.317 0 1 FGAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(-c2ccccc2)n1 95574368 ICGDNCVFXSZQPO-YETFMAGOSA-N 363.461 3.121 0 1 FGAF CC1(C)CCc2c(O)ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c2O1 96086118 QYZNGBWQHYNRBM-CYBMUJFWSA-N 356.374 3.266 0 1 FGAF biogenic,in-vitro O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Br)c1 653802220 UZODNCRNVPSQPO-ZSOIEALJSA-N 359.179 3.252 0 1 FGAF COc1ccccc1NC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587392374 YLSFUJJGOVNYLH-FQEVSTJZSA-N 354.406 3.339 0 1 FGAF CCCCc1cc(=O)oc2cc(OCc3nc4cnnc(O)c4[nH]3)ccc12 586917707 FLSVWWQSOFXMPW-UHFFFAOYSA-N 366.377 3.087 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)CCC(=O)O)N1 587831714 XQPWBYNRLOUSGO-ABKXIKBNSA-N 372.234 3.162 0 1 FGAF C=C1NC(=O)NC=C1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789105 AAZIREZRTPPFKC-VPTHRUTESA-N 366.234 3.048 0 1 FGAF O=C1c2ccccc2-c2c(CCNC(=O)C3CC3)cnc3ccc(O)c1c23 586988768 QDXJUKNWDPKXRG-UHFFFAOYSA-N 358.397 3.221 0 1 FGAF Cc1c(F)ccc2nc(-c3nccnc3I)[nH]c12 587186806 UYCKJQFMPAEOIF-UHFFFAOYSA-N 354.126 3.072 0 1 FGAF c1ccc(-c2ccc3c(c2)CCN[C@@]3(c2ccccn2)c2nc[nH]n2)cc1 962674794 YTXSMADQFNTGGG-QFIPXVFZSA-N 353.429 3.304 0 1 FGAF O=S1(=O)c2cnccc2N=C(NCc2ccccc2)N1c1ccccc1 5934201 WGIIODSXZXZCPD-UHFFFAOYSA-N 364.430 3.068 0 1 FGAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1c1ccccc1)N1CCCO1 13756508 VKJIFNGYVOYFIA-KNJMJIDISA-N 368.477 3.114 0 1 FGAF COc1ccc(NC(=O)c2cnc(Nc3ccc4[nH]ncc4c3)s2)cn1 1857535102 YSRZKNYHSIYXQN-UHFFFAOYSA-N 366.406 3.419 0 1 FGAF COc1cc(=O)n2c(c1CCCc1cc(OC)c(OC)c(OC)c1)CCC2 1857540172 MLXMSWFGGSJQHA-UHFFFAOYSA-N 373.449 3.004 0 1 FGAF COc1cc([C@H](O)COC(=O)/C=C/c2ccccc2)cc(OC)c1OC 1857744949 XGYMDUVKMXPXKU-ZNFPLGDCSA-N 358.390 3.002 0 1 FGAF COC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1 1633397 MIOROHOHEQJBBS-UHFFFAOYSA-N 354.362 3.013 0 1 FGAF NCCN1C(=O)c2cc(Cl)c(Cl)cc2[C@]1(O)c1ccc(Cl)cc1 1662077 ONDRZJROXNDLJX-MRXNPFEDSA-N 371.651 3.255 0 1 FGAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1CCCO 101750006 KWODDVHRFFROSJ-WOZUAGRISA-N 361.441 3.107 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@H](O)c3ccc4occc4c3O[C@H]1CO2 59729336 ZVEDKPGZOXEGTK-GBESFXJTSA-N 354.358 3.421 0 1 FGAF C[C@@H]([C@@H](O)c1ccc2c(c1)CC(=O)N2)N1CCC(c2ccccc2)CC1 28006523 HJRGLUUTXXPQKZ-OYHNWAKOSA-N 350.462 3.483 0 1 FGAF Cc1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 117692280 ULMVWXOBBULOQQ-UHFFFAOYSA-N 373.416 3.212 0 1 FGAF Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CCOCC3)c(C)c1 103274815 GBEQOKFQIHOPFP-UHFFFAOYSA-N 372.465 3.224 0 1 FGAF CC[C@@H]1CCCCc2ccccc2[C@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 61959162 CDHITIHANXASKS-WRWLIDTKSA-N 360.450 3.323 0 3 FGAF CN(C)C(=O)Oc1ccc2c(C(=O)O)c(Cc3ccccc3)c(=O)oc2c1 26484542 SFEVTIAUSKSOLP-UHFFFAOYSA-N 367.357 3.142 0 1 FGAF COc1ccccc1C(=O)NCC1(N2CCCCC2)Cc2ccccc2C1 72179346 OZQONRYKPSTQAT-UHFFFAOYSA-N 364.489 3.449 0 1 FGAF CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1 72114859 XCLGGIPXUHQVFQ-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF CNC(=N)c1ccc(OCCCCCOc2ccc(C(=N)NC)cc2)cc1 40956598 OAZWTIFBBQCSTP-UHFFFAOYSA-N 368.481 3.404 0 1 FGAF CC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O 82151250 AZFRDBSLRWKFPY-UHFFFAOYSA-N 368.481 3.282 0 1 FGAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1nc(C)cc(C)n1)C2 226037786 SDCYGFWVWNDIJL-XKQJLSEDSA-N 370.428 3.099 0 1 FGAF COC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1cccs1 84526848 GYMVPSPYGOGQDI-NOCRFKNCSA-N 374.462 3.382 0 1 FGAF COc1nccc2c1OC[C@@H]2NC(=O)Cc1ccc(Cl)cc1Cl 146492898 NOZJBYNSHDBTFJ-ZDUSSCGKSA-N 353.205 3.189 0 1 FGAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3ccc(N)cc3)[C@@H]2CC1 299807420 FLEBOCJBEJXTTK-SPNOPHAYSA-N 370.493 3.194 0 1 FGAF NC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580542 SBKHAYKKYYLMMC-XLIONFOSSA-N 361.353 3.194 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCC2)N1 587756177 QGRQZHRHFMAFLH-VFZGTOFNSA-N 355.251 3.080 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOC[C@H]1OCc1ccccc1)[C@@H](C2)C3=O 587456213 SZEPFVHSJCKDCZ-LRXVAGHRSA-N 366.413 3.187 0 1 FGAF COc1cccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587038326 QSUSUHJBSCQHEL-SNVBAGLBSA-N 369.450 3.319 0 1 FGAF Cc1c(NC(N)=O)cccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587240358 TXWIZBGBFWOHFA-UHFFFAOYSA-N 350.357 3.354 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587441653 GOPSYKISYXSSSL-QKKBWIMNSA-N 370.401 3.384 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(C)=O)cc1OC)[C@@H](C2)C3=O 587432468 MBGNYTQCISJLLV-HRAATJIYSA-N 367.401 3.325 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1)CC2=O 587481113 ABZPOMZBMGIVSH-GOSISDBHSA-N 360.431 3.455 0 1 FGAF N[C@@H](N=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586911979 BFGWUBBTVMDWHA-KRWDZBQOSA-N 352.394 3.089 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(CO)c1)[C@@H](C2)C3=O 587441467 UDLAPWQKLWNILI-HRAATJIYSA-N 354.402 3.463 0 1 FGAF COc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587125782 UTBHGUOCPDXFJC-HQJQHLMTSA-N 352.320 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccnc(-c4cc(C=O)ccn4)c1)[C@@H](C2)C3=O 587436053 MURPSXHGULFGCX-AOMKIAJQSA-N 372.380 3.453 0 1 FGAF COC(=O)N(C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccccc1 587428243 IXRLYXHWTFAKGP-DOTOQJQBSA-N 353.374 3.084 0 1 FGAF O=C1c2ccc(O)cc2OC2([C@H]3CC[C@H]2CNC3)[C@@H]1c1ccc(F)cc1 587353421 ZETIWVWHZDBMEE-CKFHNAJUSA-N 353.393 3.258 0 1 FGAF Cc1cc(C)n(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579663 FETSVSUPQUWWCU-ROUUACIJSA-N 350.374 3.236 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2cc1OC 586878174 AUXPEUJWYNGVNY-BQYQJAHWSA-N 352.346 3.123 0 1 FGAF Cc1cnc(N)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587747843 SMCGOODBFJQBFK-PSLIRLAXSA-N 350.235 3.497 0 1 FGAF CC(=O)[C@]1(c2cccc(Cl)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023846 IHBWFKNBXAASGV-ZUOKHONESA-N 354.837 3.226 0 1 FGAF COc1ccc(C2=NO[C@H](COc3ccc4ccc(=O)oc4c3)C2)cc1 1772656855 BLKOHKZEMSYNQD-KRWDZBQOSA-N 351.358 3.374 0 1 FGAF COC(=O)[C@@H]1CC=C(SC(=O)c2ccccc2)N1C(=O)c1ccccc1 5850974 NREUQFNFNCFCAT-INIZCTEOSA-N 367.426 3.489 0 1 FGAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C[C@@H](CCCO)CCCO1 13829114 RVTUNYBFQNZSLG-YOEHRIQHSA-N 359.388 3.193 0 3 FGAF CN(C)c1ccc([C@@H]2Cc3n[nH]c(=O)c4cc(F)cc5[nH]c(c3c54)C2)cc1 150196569 FIXBSPKLTDSYJC-LBPRGKRZSA-N 362.408 3.492 0 1 FGAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc(F)cc3)C2=O)cc1 200052965 RLPWYKWBWVXVPM-LJQANCHMSA-N 354.425 3.445 0 3 FGAF C[C@@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857572135 VGOLZBWHJJPAIH-ABAIWWIYSA-N 355.417 3.453 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@]13CC[C@H](C)[C@]21C[C@H](c2ccoc2)O[C@@H]1O[C@H]3O 2356332373 FTIIWSAYPGBNDS-IPPWERDHSA-N 374.433 3.328 0 1 FGAF Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)n(-c2ccccc2)n1 6772305 UINYOTUOPSTJLP-UHFFFAOYSA-N 374.488 3.359 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CC[C@@H](c2ccccc2)C1 103536390 PZRQQJXBELOULL-MRXNPFEDSA-N 372.428 3.258 0 1 FGAF CC(=O)c1cccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)c1 101260768 OCCYGENKRRZWOM-RTBURBONSA-N 365.433 3.331 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2c1 2356315313 NCIKUPPGUYQJFN-MAUKXSAKSA-N 358.392 3.145 0 1 FGAF COc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40412487 HNTBXIFWSWOXPB-UHFFFAOYSA-N 364.445 3.394 0 1 FGAF O=C(OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cccnc1 1911581164 KDICOBRDFCESMR-UHFFFAOYSA-N 362.311 3.097 0 1 FGAF CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)ccc4C)CC3)c12 84615447 IYFFGVGWWQJVFY-UHFFFAOYSA-N 356.861 3.204 0 1 FGAF Cc1cccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)c1 95580605 HTIKKDYTZFOQEH-HXUWFJFHSA-N 353.466 3.344 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2O[C@H]1[C@H]1O[C@@H]21 253638618 UHWPQNIXJFNMHO-VJUDQDNYSA-N 364.482 3.466 0 1 FGAF COc1cc(Oc2ccc(-c3c(C)c(O)nc(=O)n3C)c(C)c2)ncc1C 261096458 FLZXIWHLBWLUQT-UHFFFAOYSA-N 367.405 3.274 0 1 FGAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522085 FVBNEFTXMYAIFM-UWJYYQICSA-N 358.434 3.448 0 1 FGAF CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1OC 587652687 ZFZWJPFEMUTQFP-UHFFFAOYSA-N 358.781 3.146 0 1 FGAF O=C([C@H]1CCc2nnc(C3CC3)n2C1)n1nc2cc1Oc1ccc(F)cc1-2 587876922 YBLKYAVDSMMQGP-NSHDSACASA-N 365.368 3.167 0 1 FGAF COC(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1OC 587564440 RNGIHXKPHXWBPD-UHFFFAOYSA-N 356.378 3.254 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065432 QEIHFBUAETZKBC-UHFFFAOYSA-N 364.858 3.357 0 1 FGAF CC(C)(C)C(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957737 CMOPOQUVHRRJTQ-PIGZYNQJSA-N 359.800 3.438 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]c3nccc-3c2)N1 962983036 YOLBOXNSFFCLFQ-DOMZBBRYSA-N 363.751 3.134 0 1 FGAF Cc1cc2c(cc1O)[C@](C)(c1cc3cccc(F)c3o1)N[C@H](C(=O)O)C2 963528931 VIFVUJWILVRERI-MGPUTAFESA-N 355.365 3.448 0 1 FGAF CN1CCC[C@H]1CCNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 11873844 FUVYADCJMLTIPM-AWEZNQCLSA-N 351.376 3.454 0 1 FGAF CCOC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C(C)C 12478495 KKPBDOWSXCWXKZ-LBPRGKRZSA-N 365.373 3.112 0 3 FGAF C[C@]1(O)C([C@@H]2C(=O)Nc3ccc(Br)cc32)=Nc2ccccc21 169692423 RLKULYLGSBYPPJ-RHSMWYFYSA-N 357.207 3.479 0 1 FGAF CC1(C)CC[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729844 SBBWRZBXKBXETC-OAHLLOKOSA-N 362.857 3.363 0 1 FGAF O=C(O)CCOc1nc(C(F)(F)F)cc(=Nc2cccc3c2CCC3)[nH]1 1857579641 CMLCPUXRARJXQZ-UHFFFAOYSA-N 367.327 3.003 0 1 FGAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@H]3N)cc3ccnc(O)c23)c1 1857607014 VGCGSJJJHOPEEF-IAGOWNOFSA-N 363.465 3.491 0 1 FGAF CCCCN1CCC(CNC(=O)c2cc(OC)nc3ccccc23)CC1 1857765544 APHQYNNBZYTCSO-UHFFFAOYSA-N 355.482 3.485 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3[C@@H]4CC[C@@H]3CC(O)C4)c2c1 101465282 OOOQCFLLXODUKM-ZIAGYGMSSA-N 366.465 3.224 0 1 FGAF N[C@H]1[C@@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@H]12 100819951 JHOKRRBMPVAKAN-WGMWDUQUSA-N 350.510 3.195 0 1 FGAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1C=C2 27526092 FFANRVDNMWXPRW-HBGVWJBISA-N 372.417 3.435 0 1 FGAF Cn1cc(CCNC(=O)C(=O)c2cn(C)c3ccccc23)c2ccccc21 28950284 UEMQLADAXBBBEY-UHFFFAOYSA-N 359.429 3.212 0 1 FGAF CCc1cc(OCC(=O)Nc2c(O)cc(Cl)cc2Cl)c(=O)[nH]c1C 28019825 KSMYTXQVDKRHDW-UHFFFAOYSA-N 371.220 3.276 0 1 FGAF O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=O)NC1CCCCC1 27557935 STPGWHMKNRKRTJ-SFHVURJKSA-N 359.470 3.064 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)NC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356699523 WUJHORJLMJSWRX-QJOYTUQESA-N 361.482 3.500 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)NC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356699524 WUJHORJLMJSWRX-SXHWCIJUSA-N 361.482 3.500 0 1 FGAF CNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518288 SQDHAAAUCSVUIM-UHFFFAOYSA-N 357.793 3.314 0 1 FGAF COc1cccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1 35942350 JZXZMZSAVCZTFQ-UHFFFAOYSA-N 361.405 3.229 0 1 FGAF Cc1ccc2nc(C(=O)Nc3ccc(Cl)cc3)nc(NCCN)c2c1 299844685 RFGAWMMMPVUJQR-UHFFFAOYSA-N 355.829 3.215 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2N)N1 587743321 CYCAOOFOYMQNQZ-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC 587926183 KLADWYCQLYNURH-NSHDSACASA-N 367.405 3.257 0 1 FGAF Cc1cnc(N)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748178 VOISIDFORQFEDU-RFAUZJTJSA-N 350.235 3.497 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cn2)N1 587727998 FALAQHPDKLNKDD-ANRSDYALSA-N 354.198 3.315 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085862 LJCILAWSXDBXHC-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587171300 LKFNGPHECVWFJC-SNVBAGLBSA-N 365.455 3.245 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1N1CCOCC1)O2 587380927 CWIWXGIBGLXPTF-GOSISDBHSA-N 356.397 3.259 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccc(F)cc2)nc1CC3 587370180 VEJDIEYZSGQKJA-UHFFFAOYSA-N 366.377 3.464 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(CCC(=O)O)oc1C)[C@@H](C2)C3=O 587455946 RGPAQDGUKAOOAG-YWZLYKJASA-N 356.374 3.277 0 1 FGAF CCOC(=O)COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398446 CUZIKELMEJCKPO-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cnccn2)N1 587774693 NYECVNCGMZDWRN-HWPZZCPQSA-N 350.235 3.370 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586915069 ABYYZGGJRQLDKJ-YUNKPMOVSA-N 362.389 3.361 0 1 FGAF COC(=O)/C=C(\C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810683 VPLGQWPWXKQJQV-PZHHLTTRSA-N 356.235 3.457 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152417 MXNNDLADAXGACU-QWRGUYRKSA-N 350.346 3.359 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 586950113 QENWRHOQHFCXFB-UHFFFAOYSA-N 371.249 3.227 0 1 FGAF COCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762687 ZJWQICGFWVSNEW-QLJPJBMISA-N 368.250 3.055 0 1 FGAF COC(OC)c1cccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1F 963035384 RKOBOVDGOROUBK-MPBGBICISA-N 370.424 3.260 0 1 FGAF COc1ccc(C)c2c1NC(=O)[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963116387 WSFMGYODFJGMQL-QKKBWIMNSA-N 352.409 3.359 0 1 FGAF CC(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O 224482318 UEOYRTWNORFJAG-QGZVFWFLSA-N 355.825 3.409 0 1 FGAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2C=CCCC2)c1O 1772589477 QYNLCHIEKWYOGU-NSHDSACASA-N 372.874 3.458 0 1 FGAF CC(C)C[C@H]1COCCS(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 12479145 NGRLQJYOGKPCLC-HNNXBMFYSA-N 365.417 3.282 0 3 FGAF N[C@H](C[C@@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 14951204 DWLOVDOPFJPWNE-IEBWSBKVSA-N 355.434 3.492 0 1 FGAF in-vitro NC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205266112 UJHVWBSOPCVARA-UHFFFAOYSA-N 371.448 3.009 0 1 FGAF O=S1(=O)N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21 1857634097 GFQLWAABHQEGQR-MRXNPFEDSA-N 360.826 3.133 0 1 FGAF CCOC(=O)c1cc(OCc2ccc(OC)cc2)cc(C(=O)OCC)n1 238809412 RZYBYKCGFVNXSY-UHFFFAOYSA-N 359.378 3.023 0 1 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O 6425233 TXUZIUVPQOEQIE-UHFFFAOYSA-N 366.461 3.303 0 1 FGAF Cn1cc(-c2cnc3c(NC(=O)NCc4ccccc4)ccnc3c2)cn1 117566174 VVHXXHFJRLVGEJ-UHFFFAOYSA-N 358.405 3.352 0 1 FGAF CC(C)c1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1 26388255 HFYKBEWDZIYGFF-UHFFFAOYSA-N 357.801 3.285 0 1 FGAF O=C(O[C@@H]1CC[C@H](CO)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 29565130 LQHGEJABMDXCPX-KFKAGJAMSA-N 354.402 3.230 0 1 FGAF COc1ccc(S(=O)(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)cc1 64573463 OJSGXLSONZGABF-HNNXBMFYSA-N 360.353 3.298 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC(CO)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356784816 QGIFBSJPTOTBPS-GCDKYVQMSA-N 350.455 3.171 0 1 FGAF CCNC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34801340 YJLVMNYHBPCQKV-LMAWBCBHSA-N 358.526 3.378 0 1 FGAF COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2O)cc1 14644995 HHWBLKJFIVNPLK-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic CC(C)(C)OC(=O)NC[C@H](NO)c1c[nH]c2ccc(Br)cc12 71332384 DUPLPTVSQPRSSI-ZDUSSCGKSA-N 370.247 3.475 0 1 FGAF O=C(N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1cc2ccccc2s1 44460290 OEMQUBXYMQNIGH-CQSZACIVSA-N 365.414 3.203 0 1 FGAF in-vitro C[C@H]1CCC[C@H](C)N1C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 136751107 CKFAWKKKHYVXKL-WWTZIWLLSA-N 370.478 3.485 0 3 FGAF C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1 43200602 YKPNHIXFGPKGEI-JTQLQIEISA-N 364.388 3.123 0 1 FGAF Cc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 45497287 HKOMWFAIGNRGBR-VTCDDQIKSA-N 358.434 3.337 0 1 FGAF COC(=O)C1=C(C)N(C)C(NCc2ccccc2)=N[C@@H]1c1ccc(F)cc1 199422741 KBCXICYNSIILLX-LJQANCHMSA-N 367.424 3.405 0 3 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4nccs4)CC3)CC2)nc1 253664172 MTQWOJOFKUQLJW-QAQDUYKDSA-N 372.542 3.116 0 1 FGAF CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(I)cc1)N2 253693034 XSCLLXQHZKNMDH-AYDFFVQHSA-N 369.246 3.494 0 1 FGAF Cc1cn2c(=O)c(-c3ccnc(N(C)C4CCCCC4)n3)cnc2s1 299849399 GVLGKBZALCMFDA-UHFFFAOYSA-N 355.467 3.290 0 1 FGAF Oc1nc2cc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3cc2[nH]1 587119334 SUDUVOMEUPDHDB-UHFFFAOYSA-N 362.315 3.286 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)O2 587397380 AJOVGWAKZCFKTA-TUXXCZFBSA-N 358.438 3.168 0 1 FGAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528653 DEZXQFZJNZJLSB-URZJWIJPSA-N 368.429 3.359 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3ccc(F)cc3)nn1)O2 587385015 QWWDHPFOFITJGD-HXUWFJFHSA-N 366.396 3.237 0 1 FGAF COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275464 BGOACEAMJHXKSE-UHFFFAOYSA-N 362.179 3.322 0 1 FGAF COC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2n1 587133586 UWGRKGVAFQDLNO-UHFFFAOYSA-N 368.151 3.421 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C[C@H](C)CCC(=O)O)nc2c1 587960562 KRGXIYCQUJYPMV-MRVPVSSYSA-N 369.215 3.155 0 1 FGAF CCCc1nc(-c2nc3cc(C(=N)N)ccc3[nH]2)nn1-c1ccccc1F 587155835 IHNYVGIILSXKPP-UHFFFAOYSA-N 363.400 3.186 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(O)c2)N1 587772612 OOKVGSGZZOTMAE-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2N)N1 587748370 WPTIYAGZFBWPRA-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)N(C)c1ccccc1)[C@@H](C2)C3=O 587427710 FNZSZBALIBTUJC-KKSFZXQISA-N 351.402 3.254 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587807559 LURKNQPIGPJQFY-ILMHXZGMSA-N 368.246 3.457 0 1 FGAF O=C1C[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CN1Cc1ccco1 587875882 OMEZAJVGPVOTOJ-NSHDSACASA-N 367.336 3.077 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2[nH]c(C)nc2C(=O)N(C)C)N1 962950503 RQDARYRJPFENGK-ZSEKCTLFSA-N 365.481 3.089 0 1 FGAF CC[C@]1(c2cc(N)ccc2C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228912 OTTJZBHCVWPPBH-IFMALSPDSA-N 361.445 3.378 0 1 FGAF COc1ccc2c(c1)c([C@@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)c(C)n2C 962891312 DJMBPBCAKOEJNZ-FXAWDEMLSA-N 368.408 3.323 0 1 FGAF COCC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239499 XBJYBBDEBIXVNS-UNMCSNQZSA-N 362.429 3.114 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 169295340 XNCWDLBBWYSKHK-QXJIDGCMSA-N 367.489 3.206 0 1 FGAF CS(=O)(=O)Nc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1 169353183 NNUVDDIZYVBMNH-CMDGGOBGSA-N 350.827 3.363 0 1 FGAF CC(C)[C@H](CO)NCc1nc(N2CCC[C@@H](C(F)(F)F)C2)ccc1F 204416039 DOOMMOODUSTJDK-DOMZBBRYSA-N 363.399 3.106 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2C 28565656 ORFLNTHIEFVEDL-KCLUMXDGSA-N 366.461 3.497 0 1 FGAF Cc1cccc(SCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)c1 29216055 CEOABUQWSOCGIL-UHFFFAOYSA-N 353.495 3.473 0 1 FGAF Nc1ccc(/C=C(/C[P@@](=O)(O)[C@H](N)CC2CCCCC2)C(=O)O)cc1 27179319 HLFIMQPMHNUTJR-MJSCBBHESA-N 366.398 3.262 0 1 FGAF CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 14819522 ZKEHDQGXEYXKFI-UHFFFAOYSA-N 356.374 3.280 0 1 FGAF biogenic Cc1ccccc1CN1CCN(c2ncc(C(=O)NCC3CC3)s2)C1=O 74379797 AXMRFLXIRNQTTI-UHFFFAOYSA-N 370.478 3.034 0 3 FGAF O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@](O)(c2ccccc2)CC1 43120375 RVUCFBVJACHZFJ-SFHVURJKSA-N 365.882 3.402 0 1 FGAF in-vivo COc1ccccc1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 199266830 JFAHESNWERTQFK-HOCLYGCPSA-N 360.454 3.167 0 3 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC[C@@H]4C)ncn3)c2c1 221182045 ICWPIVSIAJEOKM-ZDUSSCGKSA-N 353.426 3.032 0 1 FGAF Cn1cc(-c2cc(CCO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144918251 AXDSJUMFEBSLIK-IBGZPJMESA-N 374.362 3.401 0 1 FGAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1cccc(F)c1 95596116 LACDJCILEHCRDK-UHFFFAOYSA-N 356.353 3.180 0 1 FGAF Cc1cc(O)n2nc(SCc3ccc(Br)cc3)nc2n1 95579250 XCRINJIKSPXNSY-UHFFFAOYSA-N 351.229 3.193 0 1 FGAF Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1 653687469 PLPSXOGQVXXHEJ-UHFFFAOYSA-N 363.808 3.344 0 1 FGAF COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587039738 ISDCXSITYVOSNF-ZDUSSCGKSA-N 363.439 3.332 0 1 FGAF CS(=O)(=O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532942 RFEBYAIYUHGMRM-IBGZPJMESA-N 372.442 3.381 0 1 FGAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587638642 HAVUUXYVHZBHQV-AWEZNQCLSA-N 360.410 3.483 0 1 FGAF O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587600934 BZITYTUFYHFYFH-VXJLSDCPSA-N 350.370 3.482 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587438125 MKRVNIMPVKELHG-QKKBWIMNSA-N 363.369 3.212 0 1 FGAF C[C@H](CCC(=O)O)Cc1nc2cccc(I)c2[nH]1 587963398 VGVRJFXBCZYXJZ-MRVPVSSYSA-N 358.179 3.211 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 587231274 NDQZLWQCOQCJMI-GJZGRUSLSA-N 366.465 3.456 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587091528 KTXLYTOVZYUVTM-ZDUSSCGKSA-N 351.288 3.290 0 1 FGAF CCNC(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587231251 UWIXPVYZPHRWFK-UHFFFAOYSA-N 364.165 3.413 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(C2CC2)N1 587758271 IGYHXUZFRNPGJJ-QFYYESIMSA-N 365.250 3.019 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3cccnc23)N1 587794435 MQPYLZKFDAOBBA-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF C[C@H](n1cncn1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756878 FYIDJYAAIIBXAR-FTGAXOIBSA-N 353.239 3.190 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587440927 BXHJOPRRDMVOJM-LHSJRXKWSA-N 370.401 3.384 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586964067 UBGYHUWFCOZCJJ-LBPRGKRZSA-N 362.386 3.448 0 1 FGAF CN1CCN(Cc2ccc(-c3cc4ccc(F)cc4c(O)n3)cc2)CC1 1772605298 RHEFZETXUVPJQF-UHFFFAOYSA-N 351.425 3.494 0 1 FGAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C(C)C)N2CC2CCCC2)cc1 169721156 FGJFHAXXXSPFQQ-PZJWPPBQSA-O 356.534 3.108 0 1 FGAF Cc1cc(NN)n2nc(SCc3ccc(C(F)(F)F)cc3)nc2n1 1857556549 KJJZVOCFJKWNCQ-UHFFFAOYSA-N 354.361 3.029 0 1 FGAF COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCC2)cc1OC 1257076755 RHRWBHUDILGXOS-UHFFFAOYSA-N 361.463 3.447 0 1 FGAF CCCCNC(=O)CN1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 3050431 BHZCUJWOTQHPNK-MRXNPFEDSA-N 363.461 3.175 0 1 FGAF Brc1ccc(Br)c(N(CC2CC2)C2=NCCN2)c1 28229807 CEMPLADTLYYHLS-UHFFFAOYSA-N 373.092 3.387 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100109331 ANNVFFHLHGZAGR-PMOLBWCYSA-N 353.441 3.352 0 1 FGAF CC(C)N(C(=O)c1cc(N)c(-c2ccc(C(=O)O)cc2)c(N)c1)C(C)C 29462993 ALDPCRWIPQTACB-UHFFFAOYSA-N 355.438 3.475 0 1 FGAF CCCCN1C(=O)C[C@H](C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643284 WBWAIROHOVDOHM-BXWFABGCSA-N 370.493 3.475 0 1 FGAF O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1[C@H]1CCNC1 27766470 ZFFOXMWSUPVZEM-ZDUSSCGKSA-N 357.816 3.025 0 1 FGAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccco2)O3)c1 61902677 FZCIRMHKIQPUSQ-IBGZPJMESA-N 362.385 3.164 0 3 FGAF C[C@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](C3CCCCC3)N2C1=O 26956663 MWDBXNUVOWLKLA-LWLIDHTLSA-N 351.450 3.061 0 1 FGAF COC(=O)[C@@H]1c2cc(OC(C)=O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12 2356699281 MECMOKMTXZAISQ-SQBLYHGDSA-N 374.433 3.119 0 1 FGAF COc1c(O)ccc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c1O 13372802 CYHVOZDYDJOISX-UHFFFAOYSA-N 367.357 3.248 0 1 FGAF biogenic COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82136229 MAHHWSLXPHUJNT-UHFFFAOYSA-N 374.460 3.141 0 1 FGAF COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1 149827173 BBEQXRUPYAKWEQ-UHFFFAOYSA-N 353.426 3.191 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C(=O)O 147363515 XRNBWDCHEVBWJH-LHKNZVQYSA-N 362.422 3.017 0 1 FGAF C[C@@H]1S[C@@H](c2ccc(S(C)(=O)=O)cc2)N(Cc2ccccc2)C1=O 98084298 NLQDMVIWLORNET-UGSOOPFHSA-N 361.488 3.253 0 1 FGAF C[C@@H](Oc1nc(-c2ccccc2F)cc2ncccc12)[C@H]1CNC(=O)C1 141955948 UGOLJIBWHLNVKD-CHWSQXEVSA-N 351.381 3.339 0 1 FGAF c1ccc2nc(N3CCC(Oc4nccnc4N4CCC4)CC3)ccc2c1 96168700 BEZLVXSPCYPKFF-UHFFFAOYSA-N 361.449 3.283 0 1 FGAF CCCCN1CCC[C@H]1C(=O)Nc1ccccc1I 96927323 BGJGBDOSSMXRQB-AWEZNQCLSA-N 372.250 3.494 0 1 FGAF CN(C)c1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1 621430562 ZYDRKYYLYOVYFD-LJQANCHMSA-N 364.445 3.346 0 1 FGAF COc1ccc(-c2cc(C(=O)NC[C@H](O)c3ccccc3)co2)cc1OC 621431147 SKOHPSVQIYRTNS-KRWDZBQOSA-N 367.401 3.427 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587441813 HINOIMKACVQMHE-PGRDOPGGSA-N 365.429 3.195 0 1 FGAF FC(F)(F)c1nc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2[nH]1 587120700 TUDULFQUFOAMEZ-UHFFFAOYSA-N 370.298 3.101 0 1 FGAF CC[C@@]1(Cn2cncn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762669 ZEUSFVKSHNFBAU-BONVTDFDSA-N 353.239 3.019 0 1 FGAF CC(=O)N1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518327 FWAHQQMBZOHSKS-QFIPXVFZSA-N 361.397 3.319 0 1 FGAF CC(C)[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583211 USDAIDMLPSTXEZ-JXFKEZNVSA-N 365.389 3.034 0 1 FGAF COc1cc2c3c(c1)O[C@@H](CCNC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587428145 HVDINSGCYCOVRW-SJORKVTESA-N 367.401 3.128 0 1 FGAF CCc1cc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1Cl 587052782 MLSHNCJOOAJJSQ-UHFFFAOYSA-N 365.842 3.005 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2sc(=O)oc12 587415193 QLMMZRQRAIRONT-CYBMUJFWSA-N 357.387 3.460 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4-c1ccccn1)[C@@H](C2)C3=O 587433619 ZTSZWWXHHUSNDR-NYHFZMIOSA-N 373.412 3.255 0 1 FGAF Nc1ccc(-c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)cc1N 587028876 ARPKKVZFJMOOJR-OAHLLOKOSA-N 350.451 3.093 0 1 FGAF Oc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CCOCC2)cc1 586913914 VFMMYGBOGLLHMJ-UHFFFAOYSA-N 352.390 3.136 0 1 FGAF CS(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095652 OZRCUZWIISJQDF-UHFFFAOYSA-N 355.341 3.234 0 1 FGAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CCO)cc2[nH]1 587080205 NQUYCLYYQQLHGH-OAHLLOKOSA-N 354.841 3.475 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2[nH]c(C)nc2C(=O)N(C)C)N1 962950500 RQDARYRJPFENGK-YEJXKQKISA-N 365.481 3.089 0 1 FGAF COc1cccc2cc3c(nc12)[C@](C)(CC(=O)Nc1ccccn1)NCC3 963059268 QCKRECFAULHUIQ-NRFANRHFSA-N 362.433 3.028 0 1 FGAF COc1ccc([C@@]2(CCCC(=O)O)NCCc3c2sc(C)c3C)cn1 963032870 VPCWIKGPMHIEGG-LJQANCHMSA-N 360.479 3.413 0 1 FGAF CN(Cc1ccc2c(c1)OCO2)C(=O)OC(C(F)(F)F)C(F)(F)F 205116360 QTTJKXWNHQDXTG-UHFFFAOYSA-N 359.222 3.477 0 1 FGAF COc1ccc(CCNc2nc(NC(C)=O)nc3ccccc23)cc1OC 1772602321 XLBZMPCSCLBTGH-UHFFFAOYSA-N 366.421 3.260 0 1 FGAF Oc1ccc2c(c1)O[C@@H](CNCCCOc1ccc3ocnc3c1)CC2 13775931 DAQQNLJMVSQRSY-QGZVFWFLSA-N 354.406 3.286 0 1 FGAF COc1cccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1 14958377 OOHANKFAARLWQQ-UHFFFAOYSA-N 359.769 3.402 0 1 FGAF COC(=O)C[C@@H]1Sc2nc3ccccc3n2[C@@]1(O)c1ccc(Cl)cc1 169335469 XBFZWNFMXAFJBS-MAUKXSAKSA-N 374.849 3.421 0 1 FGAF CN1CCC(c2cccc3c2CN(S(=O)(=O)c2ccccc2)C3)CC1 1857599808 OMYJFLOZIAARIT-UHFFFAOYSA-N 356.491 3.200 0 1 FGAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1nccs1 1857631827 OKKAXNUQSAKQCM-GFCCVEGCSA-N 360.464 3.014 0 1 FGAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccccc4C)cccn3[nH]1)C2 1857752652 NSHYPFAOUWKHKF-KRWDZBQOSA-N 372.476 3.312 0 1 FGAF COc1ccc(COC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2)cc1 6666343 ZBYLGNFSAIJNBI-SFHVURJKSA-N 368.458 3.231 0 1 FGAF CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC(=O)CC(=O)C3)cc2)CC1 102923602 LMOBTCPMDWVRMS-UHFFFAOYSA-N 372.465 3.149 0 1 FGAF CC1(C)OC(=O)C(Cc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 26957450 KNHHNILXEQGEIW-UHFFFAOYSA-N 356.443 3.422 0 1 FGAF CC(CO)=C1CC[C@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCC(=O)O 2356770385 OCOLGWGUVNBXLA-VZYKRBATSA-N 362.422 3.474 0 1 FGAF CC(=O)c1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cs1 36385678 SHUFSDWBZTYARG-LJQANCHMSA-N 358.507 3.020 0 3 FGAF Cc1cc(C2CCC2)c(C(N)=O)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 217854091 IHGCPSYQLOBXHX-UHFFFAOYSA-N 373.456 3.473 0 1 FGAF CC(C)N(CC[C@](CCN(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C 39254145 BZZWTVXXGMTZOC-FQEVSTJZSA-N 351.510 3.009 0 1 FGAF CNCCC[C@H]1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O 49784302 CLLQMGVKRYVVFS-HNNXBMFYSA-N 366.433 3.357 0 1 FGAF COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 40764263 QQNWVORTUJAROO-KRWDZBQOSA-N 369.461 3.382 0 1 FGAF CCCCN(CCCC)Cc1cn(C[C@H](O)COCc2ccccc2)nn1 82153738 CCNYXUXLJNAOTE-NRFANRHFSA-N 374.529 3.258 0 1 FGAF CC(C)Sc1ccc(Cl)cc1CON1C(=N)N=C(N)NC1(C)C 45168677 XDPFWELXNFJCPY-UHFFFAOYSA-N 355.895 3.163 0 1 FGAF CCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1 95585368 ZWMVQBHKFYTOAR-UHFFFAOYSA-N 371.456 3.248 0 1 FGAF O=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCOCC2)cc1 96914954 GYXKVZAQJCFDIR-UHFFFAOYSA-N 350.418 3.148 0 1 FGAF Cc1cc(-c2ccccc2)nc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)n1 299822143 MPAUPYSOLQBWCN-UHFFFAOYSA-N 368.414 3.124 0 1 FGAF COc1ccc(OC)c(S[C@@H]2CC(=O)N2C(=O)NCc2ccccc2)c1 299859548 FWSIIZCBUXXJBU-GOSISDBHSA-N 372.446 3.264 0 1 FGAF COC(=O)C1(C)CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810087 SYCKSYIPZBHUQB-ZOSDVKSASA-N 356.235 3.291 0 1 FGAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccccc2)[C@H]1n1cncn1)CC4 587210442 BRTZMIKMGMAWIT-GMAHTHKFSA-N 366.424 3.423 0 1 FGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)cc1 586924807 ALRPOPXATCFIPJ-UHFFFAOYSA-N 362.838 3.435 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccccc4)CC1)[C@@H](C2)C3=O 587435691 IFCHYQPXQKGGCP-KRWDZBQOSA-N 363.413 3.118 0 1 FGAF Cc1ccc(S(=O)(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406309 AYTSSIUNSGDYST-LJQANCHMSA-N 359.447 3.083 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587440363 YVAVFZQANDXCHK-YFROIQMUSA-N 373.449 3.458 0 1 FGAF CCOC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042529 LIAVHDWLNPMBRU-CQSZACIVSA-N 361.467 3.360 0 1 FGAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587196132 RGUCLTYFJSZJLI-CYBMUJFWSA-N 372.494 3.031 0 1 FGAF COc1cccc([C@H](C)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587932434 UMNGYIZPCUHCDM-CYBMUJFWSA-N 373.478 3.168 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-n3cnnc3)c1C)CC2=O 587472062 XGQYHYMKZSYQFT-IBGZPJMESA-N 366.421 3.372 0 1 FGAF CC[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586900913 OGRTVYTZYNFDHV-HNNXBMFYSA-N 365.842 3.461 0 1 FGAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3C[C@@H](O)Cc2ccccc2)c1 1772617854 OEPRBIZQOXUSFS-VSKRKVRLSA-N 364.489 3.100 0 1 FGAF CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@H](C)C(=O)C[C@H]12 1772593592 SXIDZSBZEIYEMV-NJURLCNJSA-N 366.454 3.247 0 1 FGAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)cc1 169360746 SUQNPPWHLMFZBZ-PAJJWDTESA-N 362.267 3.488 0 1 FGAF COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O[C@@H]2CCC[C@@H](C)C2)ccc1O 169687882 GEYUDGOBFPLGGT-PZLGEANOSA-N 374.437 3.364 0 1 FGAF C[C@H](C(=O)NCC(C)(C)C)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O 206019061 MKCQJOJTIYXFNY-CYBMUJFWSA-N 369.440 3.394 0 3 FGAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C1CC1 205430395 RTEJNBNUDIERIL-UHFFFAOYSA-N 359.389 3.470 0 1 FGAF C[C@@H]1[C@@H](CO)[C@H](c2ccc3c(c2)OCO3)O[C@H]1c1ccc2c(c1)OCO2 1857640699 ZLLYZKKZJSBUKU-VQHIELQLSA-N 356.374 3.201 0 1 FGAF COc1cc(-c2noc(C34CCC(N)(CC3)CC4)n2)cc(OC)c1OC 1247639637 IIVVOHTXBDZDQW-UHFFFAOYSA-N 359.426 3.066 0 1 FGAF FCCN1CCC(COc2ccc(I)cc2)CC1 13605800 OTGUFPDUGJBGGO-UHFFFAOYSA-N 363.214 3.352 0 1 FGAF CCOC(=O)c1nc2ccccc2nc1Oc1ccc(C(=O)OC)cc1 1654499 MHFICXMYDXGOBG-UHFFFAOYSA-N 352.346 3.385 0 1 FGAF Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2=N)c1C 1861352 FYMWXFJUAMPWAI-UHFFFAOYSA-N 363.870 3.403 0 1 FGAF COc1ccc(-n2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)cc1 4238303 BAARRVDYHOBEOI-UHFFFAOYSA-N 360.373 3.285 0 1 FGAF C[C@@H]1[C@H](C(=O)O)[C@H]1[C@@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 4394179 VYTOVCNIMJIGDL-UWEKWLBNSA-N 367.401 3.063 0 1 FGAF COc1cccc2nc(C[C@@H]3CN(C4CCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356306055 BFPMAWHBOQXBCM-ZIAGYGMSSA-N 357.454 3.079 0 1 FGAF CC1(C)CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21 26282530 HDONWRYLXGZHRF-UHFFFAOYSA-N 373.430 3.092 0 1 FGAF Oc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2 26501009 HTIIEWJMAIWDTF-UHFFFAOYSA-N 352.478 3.472 0 1 FGAF CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)[C@H](O)C=CC=C[C@@H]1C 2356450679 FREPAPPMSLOSTN-RUOITVIXSA-N 366.498 3.050 0 1 FGAF C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(C)CC1 22460598 NZBULCWDIOCSSQ-CRAIPNDOSA-N 358.511 3.247 0 3 FGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=S)Cc2cc3ccccc3nc2-1 40834137 CGKUCYMDAGOWPB-FQEVSTJZSA-N 364.426 3.449 0 1 FGAF CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)OC)co2)cc1 82072251 FCQIOSBTXURCLL-UHFFFAOYSA-N 360.410 3.204 0 1 FGAF CN1Cc2ccc(NC(=O)N[C@@H]3CCOc4ccccc43)cc2NC1=O 143479572 LBLYUWQEUHSSRY-OAHLLOKOSA-N 352.394 3.309 0 1 FGAF COc1c(F)c[n+](CCCOc2ccc3c(C)cc(=O)oc3c2)cc1F 96938841 RRQJEIXMAJRZLX-UHFFFAOYSA-N 362.352 3.145 0 1 FGAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2F)CC1)c1ccccc1 95574895 VGDWWWGOODRXEH-IBGZPJMESA-N 357.429 3.174 0 1 FGAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587586449 CGDKZWUQFDTXGZ-QAPCUYQASA-N 351.314 3.121 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C(C)C)CC2=O 587482529 PBLDBAVIEPLOSH-HXUWFJFHSA-N 362.422 3.227 0 1 FGAF COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1C 587162485 CVWMONRJSAZIEM-UHFFFAOYSA-N 366.396 3.297 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(F)c(F)cc21 587470770 IPMNDIWNJDMKMH-IBGZPJMESA-N 359.328 3.436 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)ccn1)CC2=O 587489325 UQZLEVIEBQGBCV-FQEVSTJZSA-N 355.390 3.407 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(C(=O)O)cc3)CC1)O2 587395486 MYHNBECEWLWSKH-UHFFFAOYSA-N 366.417 3.280 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(C=O)cc4c1N(C)CCC4)[C@@H](C2)C3=O 587443929 MXVMDUFEAOQZCZ-JTSKRJEESA-N 363.413 3.379 0 1 FGAF O=[S@](Cc1nc2cnnc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 586958542 GEEURQFKBPFLGT-AREMUKBSSA-N 364.430 3.097 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(F)c4[nH]3)cc12 587037242 GOCCMHBOECMVCM-VIFPVBQESA-N 357.414 3.450 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587229920 DKQWXWYPVFKKST-QWRGUYRKSA-N 370.375 3.013 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(CO)c1)[C@@H](C2)C3=O 587441868 UDLAPWQKLWNILI-KKSFZXQISA-N 354.402 3.463 0 1 FGAF O=C1C[C@@](c2cccc(Cl)c2)(C(O)O)Oc2c1ccc1c2CCCC1 587504445 WKWWXUCOYUAPMD-HXUWFJFHSA-N 358.821 3.390 0 1 FGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(Cc3cccc(Cl)c3C2)N1 963227151 MOKQHJDYEQBGEZ-TZIWHRDSSA-N 364.832 3.481 0 1 FGAF O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccccc1C(F)(F)F 5127021 SMCUTNXDNAYJBK-HNNXBMFYSA-N 362.351 3.170 0 1 FGAF O=C(C1CCOCC1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 11998189 PVBVAFNPRDAWFO-QHCPKHFHSA-N 370.537 3.360 0 1 FGAF O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccncc1 13455262 OHISFQIMSUZDPS-QWHCGFSZSA-N 366.204 3.128 0 1 FGAF COc1ccc(C2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)O2)cc1 13496308 AWAVOWPVYRYKLG-GZTJUZNOSA-N 369.373 3.066 0 3 FGAF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(Br)cc1)C(C)(C)C 13806363 DTDWCAUAESAVLC-LCUDQTAPSA-N 351.244 3.304 0 1 FGAF CCCCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)C)c(C)c1 169317348 IZVYCEMSRGSOSM-MRXNPFEDSA-N 351.491 3.044 0 1 FGAF CN(C)CCOc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 169319016 MEBRAUAGZWSVPF-AJYQEWAOSA-N 357.494 3.484 0 1 FGAF NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)ccn3)cc2)CO1 169701165 JOUUNDGRXJVTJH-AWEZNQCLSA-N 350.344 3.490 0 1 FGAF CCCn1c2nc(C34C[C@@H]5CC3C[C@H](C5)C4)nc-2c2n(c1=O)C[C@H](CC)N2 169712118 KSNFSPWAGPTPTM-VKDRYCRNSA-N 367.497 3.236 0 1 FGAF CC(C)C[C@@H]1n2cncc2CN(Cc2ccc(Cl)cc2)S1(=O)=O 58502223 SLIFTHAOQMHZDP-MRXNPFEDSA-N 353.875 3.427 0 1 FGAF O=C(OCN1C(=O)C[C@H]1Sc1nc2ccccc2o1)c1ccccc1 26009462 GHHXQWWGVFRGIL-MRXNPFEDSA-N 354.387 3.293 0 1 FGAF CCCC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(=O)CC2 103210515 QIUTZVPKMKJUCR-UHFFFAOYSA-N 355.434 3.370 0 1 FGAF Cc1noc(NS(=O)(=O)c2cccc(Cl)c2)c1Br 26469915 KZMQHIBFSGTCHI-UHFFFAOYSA-N 351.609 3.200 0 1 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)N[C@@H](CO)CC(C)C)[C@@H](CC)C1 25427639 GMLSNKCWIYMGPT-IPMKNSEASA-N 368.562 3.355 0 1 FGAF biogenic COc1ccc(CCC(=O)c2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1 29487466 QGUWHOKFRHUBJX-GOSISDBHSA-N 369.442 3.405 0 1 FGAF COC(=O)[C@@H]1c2cc(OC(C)=O)ccc2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@@H]12 2356699279 MECMOKMTXZAISQ-SEONNTABSA-N 374.433 3.119 0 1 FGAF O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCOc1ccccc1 28569856 UFJNNEYFCTZRTB-UHFFFAOYSA-N 363.417 3.329 0 1 FGAF O=C(Nc1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356780193 ORHKDBDOZCFYMX-YOEHRIQHSA-N 372.375 3.473 0 1 FGAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCc2scnc2C)C1 39364208 HVUAHAMYVKACRD-GOSISDBHSA-N 372.538 3.292 0 1 FGAF O=C1[C@H]2NCC[C@H]2N(Cc2ccccc2)C(=O)N1c1ccc(F)c(Cl)c1 15708871 ADUHYZWPOCDJHD-SJORKVTESA-N 373.815 3.178 0 1 FGAF biogenic CCCCNC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084903 HRXPSJDZWOMKMP-UHFFFAOYSA-N 351.406 3.141 0 1 FGAF Cc1c(-c2cc(Cl)c3nn(C4CCNCC4)cc3c2)ccc(=O)n1C 1911580258 ZUQIKGKGOADTSP-UHFFFAOYSA-N 356.857 3.288 0 1 FGAF O=C1C=CC(=O)N1c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 95593880 SNGUUOVVLJIQEU-UHFFFAOYSA-N 358.716 3.188 0 1 FGAF O=C(O)C[C@@H](NC(=O)c1ccnc(N2CCCC2)c1)c1ccccc1Cl 261192391 ZPXQUDJMKCYNAI-MRXNPFEDSA-N 373.840 3.281 0 1 FGAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CC(=O)O 59789358 VUDYWBBYQWVFAG-MRYPWWKBSA-N 374.477 3.149 0 1 FGAF biogenic COc1ccc(SCC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 653826116 ZJLAHQQAILASMP-UHFFFAOYSA-N 357.411 3.085 0 1 FGAF Cc1nn(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1Br 586978693 BUDZSNLAGXJGLG-UHFFFAOYSA-N 367.178 3.024 0 1 FGAF Cc1cc(Cl)cc2c(C(=O)c3ccnn3C)c(-c3ccnn3C)[nH]c12 587626817 IBZKMEBHIKYYIY-UHFFFAOYSA-N 353.813 3.495 0 1 FGAF C[C@H](F)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587124955 QBDGUXZZYQVBLA-IGJIYHIXSA-N 351.017 3.446 0 1 FGAF COc1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cc1OC 587228871 ZMZRXHIKHWLDHE-UHFFFAOYSA-N 355.394 3.049 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2nccnc12 587584859 BISOSYHPDHAXKG-OXJNMPFZSA-N 371.352 3.433 0 1 FGAF COC(=O)c1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1 587927943 ZHYIKRLZMJPFPR-LLVKDONJSA-N 355.394 3.108 0 1 FGAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587402430 CPMBYDHBQFDZIC-LAJNKCICSA-N 367.401 3.409 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccc(F)cc2)N1 587735493 QBSUVZQSGZLVRQ-BMLIUANNSA-N 367.237 3.464 0 1 FGAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O 587577829 PIDJIPTUJHWJII-NQIIRXRSSA-N 363.369 3.420 0 1 FGAF COC1(C(=O)c2c(CO)oc3cc(Br)cnc23)CCCC1 587273997 RFKFGYZDMLLUTC-UHFFFAOYSA-N 354.200 3.225 0 1 FGAF CC(=O)N[C@@H](Cc1nc2c(C)ccnc2[nH]1)c1ccc(Br)cc1 586985824 SJEONGAWYWOOQA-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(O)CC4)s1)[C@@H](C2)C3=O 587452049 QFKGLKKVFCYRSY-XOBRGWDASA-N 371.458 3.207 0 1 FGAF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587450018 CORWJMGIIQUYRT-DQLGPHAMSA-N 368.385 3.398 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1ccc(C(=O)O)c(O)c1)N(C)[C@H](C)C2 962629494 PDVFCEIJNPZCHG-ZMZPIMSZSA-N 357.406 3.073 0 1 FGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccn(C)n1 118696952 MAVGMAPVSKEVGU-UHFFFAOYSA-N 370.409 3.026 0 1 FGAF Cc1cn2cc(NC(=O)c3ccc([C@@H]4CCN(C)C4)cc3F)nc2c(C)n1 1772617923 QWDDHRLQSGIMRM-OAHLLOKOSA-N 367.428 3.157 0 1 FGAF Cc1ccc(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)o1 1772602533 KQWXJGOCMPIPHC-UHFFFAOYSA-N 364.405 3.083 0 1 FGAF CC(=O)Nc1ccccc1-c1ccc2c(=O)cc(N3CCOCC3)oc2c1 13677177 MFMIATICRLHJMB-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@H]1c1ccccc1)N1CCCC1 13756460 OPGLCXSPDRPQFL-VWAQSERHSA-N 352.478 3.182 0 1 FGAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C\[C@@H](COc2ccccc2)O1 169366108 ZWESPJLQSOQNEF-VLLJIPBWSA-N 372.461 3.022 0 1 FGAF C[C@@H]1CNC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857753583 RSGGBJVXPLVEJD-DOMZBBRYSA-N 373.403 3.095 0 1 FGAF Cc1cc(OCC(=O)NCCN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1219870977 YUGXJQHYVBKDIE-UHFFFAOYSA-N 370.493 3.177 0 1 FGAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)cc12 3045444 VOVBXRAUSKJEFJ-IINYFYTJSA-N 351.424 3.296 0 1 FGAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCCCCC2)cc1OC 2356412590 UVABUFRFHJUGRW-CYBMUJFWSA-N 374.437 3.428 0 1 FGAF N=c1c2c([nH]c(=O)n1-c1ccccc1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 103152737 UHXRUOKNDHYYNW-INIZCTEOSA-N 373.416 3.054 0 1 FGAF COc1ccc2c(-n3cc(COc4ccc(F)cc4)nn3)cc(=O)oc2c1 103271648 NBPINMDINSNRAK-UHFFFAOYSA-N 367.336 3.100 0 1 FGAF NC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2CS1 103147246 PXQWSONWLAAKGA-GTNSWQLSSA-N 358.854 3.264 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CC[C@H](O)CC4)cc3)nc2c1 116502511 LYTQPKFVJFPASC-AKAXFMLLSA-N 365.433 3.259 0 1 FGAF NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)s1 23366894 XGIMYDAEGRLURV-HNNXBMFYSA-N 366.446 3.214 0 1 FGAF CN(C)CCCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc21 73196015 ZGZGDXYLUSYXLN-UHFFFAOYSA-N 356.495 3.416 0 1 FGAF CC(=O)[C@H](C)[C@@H]1c2cc3c(cc2C(=O)c2ccc4c(c21)OCO4)OCO3 13385382 KMNCFSCPIUXTDN-HUTHGQBESA-N 352.342 3.045 0 1 FGAF biogenic CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 225572982 VGCRWFQJKHJILN-OKILXGFUSA-N 367.453 3.421 0 1 FGAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)N1CCCCC1 82083609 ISBCCMKIPCPGCX-CYBMUJFWSA-N 358.467 3.018 0 1 FGAF COc1ccc(NC(=O)C2CCN(c3ncnc4[nH]cc(C)c34)CC2)cc1 45300303 YUZYPXOGQFDMIJ-UHFFFAOYSA-N 365.437 3.130 0 1 FGAF COc1cc2ccc(=O)oc2cc1OCC(=O)Nc1ccc(Cl)cc1 84726689 BITWSVGIVKLDOE-UHFFFAOYSA-N 359.765 3.473 0 1 FGAF O=C(CCc1ccc2c(c1)OCO2)N[C@@H](c1cccs1)C1CC(O)C1 230494976 WLAPJUCFAIZUJF-SVGDTCPJSA-N 359.447 3.038 0 1 FGAF CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 377845787 MGEIUVMDEGTZBF-UHFFFAOYSA-N 371.213 3.007 0 1 FGAF COc1cc(NC(=O)N=c2cc[nH]cc2)cc(-c2cccnc2)c1OC 653705294 GRWQWXAEARWDEU-UHFFFAOYSA-N 350.378 3.227 0 1 FGAF Nc1ccnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 586922071 PWNDTNIZBVYEIU-UHFFFAOYSA-N 364.430 3.181 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(F)cc4c1=O)[C@@H](C2)C3=O 587428944 REFDXACOSDHQTR-RBZFPXEDSA-N 352.317 3.429 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncnn3c2)N1 587789584 ACKDYYIDSBNOSM-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF NC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029308 NRNAZIZNABVBJN-UHFFFAOYSA-N 350.403 3.364 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596956 XSGHXHXTTQWRBC-PJUBBZNESA-N 368.385 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437468 IOVDXEIZWYKGKQ-CABCVRRESA-N 359.422 3.068 0 1 FGAF O=S(=O)(/C=C/c1nc2cc(Br)ncc2[nH]1)c1ccccc1 586925123 VXOMKFMGURXGDW-VOTSOKGWSA-N 364.224 3.165 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C 587768057 ZRLSXFCYGTZGOT-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c1ccc(Cl)c4C)[C@@H](C2)C3=O 587417242 AWPGGDZWHCMFMB-BUXKBTBVSA-N 355.777 3.252 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cc(Cl)cc41)[C@@H](C2)C3=O 587426611 DMRPQJUUPOSXQO-BBATYDOGSA-N 359.740 3.083 0 1 FGAF O=C(c1ccnc(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587275807 GFFIZPSXRFRTMV-UHFFFAOYSA-N 367.586 3.362 0 1 FGAF CCOC(=O)C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587794835 HGKQFPOGIHXVGM-GRBIUAATSA-N 356.235 3.291 0 1 FGAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)nc(S)nc2[nH]1 587044908 WDGSULDCWPJJJI-UHFFFAOYSA-N 373.221 3.338 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)[nH]c1=NC)CC2=O 587493652 UJGUREYDFLYONU-OAHLLOKOSA-N 359.451 3.027 0 1 FGAF C[C@@H]1O[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586917623 UABDCAVIBOCLIJ-BJOHPYRUSA-N 363.826 3.477 0 1 FGAF CC(C)[C@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587197178 ACQRLNRLLRQPME-SECBINFHSA-N 369.516 3.494 0 1 FGAF Oc1nc(O)c2ccc(-c3c[nH]c4c(Br)cccc34)nc2n1 587366318 MVHNNBUVNBJYDW-UHFFFAOYSA-N 357.167 3.347 0 1 FGAF CC(=O)NC1=C(C)N=C(c2ccccn2)N[C@@H]1c1ccc(F)cc1Cl 1772586004 BWSJMIJYEKUCAL-QGZVFWFLSA-N 358.804 3.333 0 1 FGAF CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCCCC2)OCO3)cc1 13530472 FBKDXBSEJZIQQG-UHFFFAOYSA-N 373.474 3.472 0 1 FGAF CN(C)C(=O)Cn1c(-c2ccc(Br)s2)nc2cccnc21 13824801 JTFGYQSQTBBDRR-UHFFFAOYSA-N 365.256 3.011 0 1 FGAF COc1ccccc1N1CCN(CCCCn2nnc3ccccc32)CC1 13738290 BVYCVZRQTPDATA-UHFFFAOYSA-N 365.481 3.042 0 1 FGAF CN(C)CCCOc1ccc2c(c1)nc(N)n2-c1ccc(N(C)C)cc1 169328344 PISUSGBVXHEPKA-UHFFFAOYSA-N 353.470 3.004 0 1 FGAF O=C1c2cccc3nc(Cl)cc(c23)C(=O)N1CCCN1CCCCC1 169351726 XOULKJXGLCWCEL-UHFFFAOYSA-N 357.841 3.360 0 1 FGAF CCCCC[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622147 QJADFBZNTPJMDY-AQVUVVIDSA-N 352.471 3.251 0 1 FGAF CCn1ccc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21 1857755606 MKDYJHWEANHEJG-UHFFFAOYSA-N 370.474 3.385 0 1 FGAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)N1CCOCC1 772140 AOIVFNZFUKLXNN-HKUYNNGSSA-N 370.836 3.291 0 1 FGAF O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1-c1ccccc1 1642079 LJEATZMVKVKOFJ-UHFFFAOYSA-N 354.369 3.406 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)OC 2356399222 PXDMIVVIKCMLCB-JPLJXNOCSA-N 364.482 3.116 0 1 FGAF C[C@@H]1NC(c2ccc(Br)cc2)=Nc2nc3ccccn3c2C1=O 103245063 ANUMJYAWAGPICH-JTQLQIEISA-N 369.222 3.350 0 1 FGAF COc1ccc([C@@H]2C=C(c3cc(OC)ccc3OC)NC(=S)N2)cc1 103280780 GZYMFWVQIXJPCK-INIZCTEOSA-N 356.447 3.272 0 1 FGAF O[C@@H]1CCCC[C@@H]1N1CCC(C2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 58485803 IJSVCSABISGUBT-CIAFKFPVSA-N 364.574 3.017 0 1 FGAF O=S(=O)(O)O[C@@H](COc1nc2ccccc2s1)Cc1ccccc1 26160285 RVCARJPDEKDNRA-CYBMUJFWSA-N 365.432 3.106 0 1 FGAF COc1cc(C(=O)[C@@H](C)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356565503 YQGZZYIKOLQXAZ-JTQLQIEISA-N 362.378 3.119 0 1 FGAF COC(=O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@@]2(C)OC(=C3C)C[C@H](C(C)C)C(=O)C1 2356807700 YAKVVHTXESEJHZ-DEHPDVHSSA-N 362.466 3.459 0 1 FGAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4cccc(F)c4)cc23)CC1 71296009 YCKHQZAJTTWVSE-UHFFFAOYSA-N 373.453 3.344 0 1 FGAF CC(C)(c1cc(-c2cccc(C(N)=O)c2)c2ncccc2c1)S(C)(=O)=O 36268827 UTBNQNSSWODNLN-UHFFFAOYSA-N 368.458 3.280 0 1 FGAF Nc1cccc(NC(=O)c2cc(Sc3nncs3)c(F)cc2N)c1 45393855 LLUKTNJXQSOHED-UHFFFAOYSA-N 361.427 3.245 0 1 FGAF CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224716672 AUZBYTWULTYYKP-UHFFFAOYSA-N 372.425 3.109 0 1 FGAF COC[C@H](Cc1ccccc1)Nc1nc(N2CCSCC2)ncc1C 82202832 RAGLDUUWAFSQRI-KRWDZBQOSA-N 358.511 3.008 0 1 FGAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205706 MATLSUASIRVSON-ZIAGYGMSSA-N 360.483 3.003 0 1 FGAF CCOc1nc(-c2ccccn2)nc(CN(CC)C(=O)OC)c1CC1CC1 96907604 YTFFUXNDQVUCJO-UHFFFAOYSA-N 370.453 3.478 0 1 FGAF CC(C)CNc1cccc2c1S(=O)(=O)N[C@@H](Cc1ccccc1)CO2 96021153 DFIWPKMJUKTAEU-INIZCTEOSA-N 360.479 3.037 0 3 FGAF CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 256078938 LLQBSJQTCKVWTD-AWKPCGAOSA-N 356.503 3.267 0 1 FGAF endogenous,in-man COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)NC1CCCCC1)C(C)(C)C 299868962 SVRCLSWDDDBWEP-IBGZPJMESA-N 358.482 3.448 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2c1cnn2-c1ccccc1 587652794 KIQMBHHKRRLJLN-UHFFFAOYSA-N 374.791 3.168 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cnn(C)c3)nc1)CC2=O 587474473 FKFDIQQBTDXVFY-SFHVURJKSA-N 364.405 3.242 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587716912 DZKYAGQXADEPGH-MIUALZABSA-N 362.214 3.239 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc4nonc4c3)n2)cc1 587924446 YUMXCNUUTGFSEB-UHFFFAOYSA-N 372.431 3.385 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cncc32)N1 587774534 WGWXPZAEBLUXHB-HWPZZCPQSA-N 350.235 3.356 0 1 FGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587204637 YNFXEVOUEGONNU-UHFFFAOYSA-N 372.816 3.475 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)O2 587392539 BQDRKLMMOKPNHJ-BIENJYKASA-N 367.449 3.292 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(C2CC2)N1 587760693 PXKBDNBANXNEIQ-QLJPJBMISA-N 365.250 3.019 0 1 FGAF Clc1cnccc1CN1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772644873 FZRARVKVJQCWOC-UHFFFAOYSA-N 367.844 3.034 0 1 FGAF COc1ccc(-c2cncc([C@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772626187 QLFFNBOKBQRPTM-INIZCTEOSA-N 369.377 3.064 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 13585532 XSQGDFANXYXTME-ODYMAQSMSA-N 365.495 3.477 0 1 FGAF O=C(/C=C/c1ccc(Br)cc1)n1nnnc1-c1ccccc1 1857552003 MGDXZAKOHXQMQH-DHZHZOJOSA-N 355.195 3.456 0 1 FGAF C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCCc4ccncc4)cn1c23 1487292 BWHOPNCJCIKBRL-ZDUSSCGKSA-N 365.408 3.015 0 1 FGAF O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 2966734 NZLBXIGJLJYZBK-IBGZPJMESA-N 359.495 3.215 0 1 FGAF O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCCc1ccccc1 102843430 YVYPJTHVJNLPHT-UHFFFAOYSA-N 350.418 3.043 0 1 FGAF N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cccnc3)cc2)c1 26283318 UBSXOBOLHKXKMV-UHFFFAOYSA-N 374.444 3.101 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CC[C@@H](O)CC4)cc3)nc2c1 116498354 LYTQPKFVJFPASC-SAZUREKKSA-N 365.433 3.259 0 1 FGAF CON(C)C(=O)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 61948212 TWFGFNGJECMJJE-CYBMUJFWSA-N 356.850 3.358 0 3 FGAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCNC2 28707910 AQUFMYGGKHJKJN-UHFFFAOYSA-N 363.508 3.190 0 1 FGAF O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccccc1C(F)(F)F 27489541 SMCUTNXDNAYJBK-OAHLLOKOSA-N 362.351 3.170 0 1 FGAF COc1c(CC=C(C)C)c(O)cc(O)c1CC(=O)c1ccc(O)cc1O 34095314 JYRFVDHHGPHQBG-UHFFFAOYSA-N 358.390 3.452 0 1 FGAF endogenous,in-man COc1ccc(-n2ccc3c(sc4ncnc(N(C)C)c43)c2=O)cc1 35285146 CNBBALBKWKNMJK-UHFFFAOYSA-N 352.419 3.070 0 1 FGAF Cc1nc2nc(N)nc(N)c2c(C)c1Cc1ccccc1Br 45315908 IESSQQSHFWNTAM-UHFFFAOYSA-N 358.243 3.159 0 1 FGAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 82204024 MSXJXJGTUMMEIH-KBMXLJTQSA-N 359.518 3.113 0 1 FGAF Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CCC3)c(F)cc1Cl 95572594 OWSGPEZXAIWLAK-UHFFFAOYSA-N 351.784 3.401 0 1 FGAF Cc1cc(N)nc(CCc2cccc([C@@H](O)Cc3cc(C)cc(N)n3)c2)c1 98209385 UYRPOLYEPACPCW-FQEVSTJZSA-N 362.477 3.319 0 1 FGAF in-vitro Cc1cc(NC(=O)CCCn2ccc(=O)c(O)c2C)c2ccccc2n1 95589949 DEGIOOIMLMJARJ-UHFFFAOYSA-N 351.406 3.138 0 1 FGAF CCN1CCC[C@H]1CN[C@@H]1c2cc(OC)ccc2OCc2ncccc21 253929986 VXQFZPGZTLWMKG-BTYIYWSLSA-N 353.466 3.146 0 1 FGAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)NC(C)(C)C)c1ccccc1 299864397 MKCHDBICPYNENZ-IBGZPJMESA-N 352.434 3.240 0 1 FGAF COc1cc2cnnc(N3C[C@@H](O)C[C@H](c4ccccc4)C3)c2cc1OC 474602082 AFWWBLFDSTUDIV-IRXDYDNUSA-N 365.433 3.002 0 1 FGAF Cc1ccccc1C(C)(C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587955004 IDZAVMPUPLTLEW-UHFFFAOYSA-N 357.479 3.448 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587039666 HMSDIRAWBARCMV-NSHDSACASA-N 367.402 3.383 0 1 FGAF Cn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C(F)(F)F 587873833 JNYNLIXFFYBUBX-UHFFFAOYSA-N 352.247 3.236 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CCN3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 587347706 POPYZYJHGLSEIZ-ONTRVFCTSA-N 353.393 3.355 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 586951951 CTPSSAYKJTYLQS-UHFFFAOYSA-N 359.854 3.275 0 1 FGAF COc1ccc(NS(=O)(=O)c2ccc3nc(CC4CC4)[nH]c3c2)cc1 587963996 XJRMZSLZGVIKOK-UHFFFAOYSA-N 357.435 3.325 0 1 FGAF COC(=O)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354132 UDTQEEGFFIYKAF-XLIONFOSSA-N 358.365 3.458 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cnn(C)c2)N1 587762113 XFRLRNCIQHZKBG-MGPLVRAMSA-N 352.251 3.314 0 1 FGAF CCc1ccc(C(=O)CCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587956962 NULPUGGMHVNVIO-UHFFFAOYSA-N 356.447 3.344 0 1 FGAF COC(=O)C[C@@H]1CC[C@]2(NCCc3cc4cccc(OC)c4nc32)[C@H]1C 963066986 MJNWEALRYQYWSG-RXSFTSLZSA-N 354.450 3.194 0 1 FGAF Cc1ccnc2c1CCN[C@]21C[C@H](OCc2ccc(CN)cc2)C12CCC2 963071631 KGVIYKIQNZQHQS-NZQKXSOJSA-N 363.505 3.349 0 1 FGAF O=C(N[C@@H]1CCc2cccc(Br)c21)[C@@H]1COc2ncccc21 1772653230 NZCFDDMETPJUAL-TZMCWYRMSA-N 359.223 3.124 0 1 FGAF CNc1nc(Nc2cnn([C@@H]3CCOC[C@H]3F)c2C)ncc1C(F)(F)F 205722154 ZGXBNRLQXMACOV-ZYHUDNBSSA-N 374.342 3.085 0 1 FGAF O=c1[nH]c2ccccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1 144104540 OEIIOVCBHYALEP-UHFFFAOYSA-N 368.456 3.071 0 1 FGAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289027 OJMOXBLFTBFMEQ-KNKQGSTJSA-N 372.509 3.042 0 1 FGAF CCOc1ccc(C(=O)n2nc(N)c3cc4cc(OC)ccc4nc32)cc1 6737842 RAQKQIXCWFBSAR-UHFFFAOYSA-N 362.389 3.263 0 1 FGAF Nc1nc(O)c(N=O)c(NCCCOc2cc(Cl)cc(Cl)c2)n1 27740584 OMFVOPYYKYRIEW-UHFFFAOYSA-N 358.185 3.350 0 1 FGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2Cc2c([nH]c4ccccc24)[C@H]3[C@H]1C5 29546399 TVTQHEAJUSXWSV-RWSUSOHTSA-N 358.441 3.472 0 1 FGAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] 71297069 SBGCAYUUQKKYIE-UHFFFAOYSA-N 368.698 3.010 0 1 FGAF CC(C)N1C(=O)N[C@@H](c2ccc(C(=O)O)cc2)c2cc3c(cc21)OCO3 40465491 RCOGJTLQKXFDCR-KRWDZBQOSA-N 354.362 3.141 0 1 FGAF C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 194825025 BIZMIUGITFUEIN-HUPIUHTBSA-N 353.462 3.047 0 1 FGAF COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1 221950508 MYMNSDVPJBOICZ-QGZVFWFLSA-N 366.200 3.415 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCCCN2[C@H](C)C1 253684160 GOIFKVIKBPQYGJ-UPJWGTAASA-N 351.878 3.066 0 1 FGAF COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@]1(C)c1ccccc1 299833287 KLRNYDZORGIYJJ-RTWAWAEBSA-N 354.402 3.259 0 1 FGAF Cc1csc(SCc2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)n1 587021428 LDABKBAWPSKQLU-UHFFFAOYSA-N 370.463 3.195 0 1 FGAF Cc1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cs1 587276100 JPFIJODIYBAMCC-UHFFFAOYSA-N 353.197 3.079 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc(Br)ccc1F)[C@@H](C2)C3=O 587426477 OOIJBRFZBBAJNJ-FVMDXXJSSA-N 364.170 3.481 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2cccs2)N1 587847491 KWVBOSKATZLYAW-RFAUZJTJSA-N 355.276 3.386 0 1 FGAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2cc(F)ccc12 587637013 SQUPNTJPEDNSJD-UHFFFAOYSA-N 366.348 3.280 0 1 FGAF Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2n1 586953826 SKZQZRNCLIGSDN-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF NC(=O)Nc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587242134 NJNHQMQOKOFAQE-UHFFFAOYSA-N 350.151 3.017 0 1 FGAF COC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587004808 YQKLPQMULWPMES-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF COC(=O)c1c(CC(=O)O)[nH]c(-c2cc3c4c(cccc4n2)CC3)c1C 587212852 WAMSZTIBLVRDKO-UHFFFAOYSA-N 350.374 3.051 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)C)nc2)N1 587754012 ISBZGRWKDXJETD-PSLIRLAXSA-N 365.250 3.068 0 1 FGAF CC(=O)N1CCN(c2ccccc2[C@@H]2NCCc3ccc(F)c(C)c32)CC1 962143686 ILNFHHSOEVQFLP-QFIPXVFZSA-N 367.468 3.038 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H]([C@H]3CCN(Cc4ccccc4)C3)c3cccc1c32 963038639 XGLWUPJFKWVSQD-IXFSTUDKSA-N 361.489 3.303 0 1 FGAF COc1cccc2s/c(=N/C(=S)NC(=O)c3ccc(C)cc3)n(C)c12 4135112 VWWRFCOKVLHJQN-CZIZESTLSA-N 371.487 3.172 0 1 FGAF O=c1[nH]nc(CCc2ccc(F)c(Br)c2)c2c1CCCC2 167716416 SVIQVZXFJMLQON-UHFFFAOYSA-N 351.219 3.336 0 1 FGAF C[C@@H](c1ccc(F)c(N2CCCC2=O)c1)c1n[nH]c(=O)c2c1CCCC2 168352348 WZMVGUUDTBSOAG-LBPRGKRZSA-N 355.413 3.066 0 1 FGAF O=C(NC1COC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 584629828 PGSWNCNDPITCLV-UHFFFAOYSA-N 371.343 3.488 0 1 FGAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356335966 FYKJWENMPFGQBU-CVEARBPZSA-N 364.449 3.113 0 1 FGAF C[C@H]1/C=C/CC(=O)NCc2cccc(c2)CNC(=O)N[C@H]1c1ccccc1 104691576 KSBGAXIOHACUNA-FIEJTUCKSA-N 363.461 3.439 0 1 FGAF C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(C)CC1 22460581 NZBULCWDIOCSSQ-YJBOKZPZSA-N 358.511 3.247 0 3 FGAF CC=C(C)C(=O)OCc1c2c(c(OC)c3cccc(C)c13)OC(=O)[C@]2(C)O 2356395331 PHJXJLUAXVXKCQ-OAQYLSRUSA-N 370.401 3.293 0 1 FGAF N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 72121348 KVCSSYPCJHTNTA-INIZCTEOSA-N 367.836 3.408 0 1 FGAF O=C(O)c1cc2cc(Br)cc(OCC3CCNCC3)c2o1 71295483 FKXULRCNBDSLOP-UHFFFAOYSA-N 354.200 3.272 0 1 FGAF COc1ccc(-c2cc3c(ccc4c5c([nH]c43)CN(C)NC5=O)cn2)cc1 72110949 WWFURUYYQWIHRV-UHFFFAOYSA-N 358.401 3.482 0 1 FGAF CC(C)O[C@@H]1[C@@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40406920 RPQABHLKBRUCIH-YVEFUNNKSA-N 366.849 3.089 0 1 FGAF CC/C=C1\C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H](C(C)(C)O)O3 85595076 TXJURQFVPQLVFY-UEICXMAYSA-N 374.433 3.402 0 1 FGAF biogenic,in-vitro O=C1[C@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCc1ccccc1 40979803 QJEACQHAHYCTJN-SJORKVTESA-N 370.250 3.398 0 1 FGAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ncn3CC(C)C)nc1 142249564 UYOZZDCAPJVTMZ-HNNXBMFYSA-N 366.465 3.173 0 1 FGAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894477 CJVCYXYZWBPABX-DYXWJJEUSA-N 370.880 3.426 0 1 FGAF C[C@@H]1Nc2ccccc2N1C[C@H](CCc1ccccc1)OS(=O)(=O)O 253853803 QHCZWTCYMFZQKA-ZBFHGGJFSA-N 362.451 3.085 0 1 FGAF COc1ccccc1-c1ccc2nc(C(=O)NCc3ccncc3)cn2c1 299819722 CXGJOBXIXRSJLG-UHFFFAOYSA-N 358.401 3.335 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccc(F)cc2)N1 587737444 XNTUIKWRFUBUMV-BTDLBPIBSA-N 367.237 3.464 0 1 FGAF COc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587771735 CNJQCORVCHVKSM-CLAHSXSESA-N 352.207 3.010 0 1 FGAF CC[C@@H](c1nc2cnccc2[nH]1)n1cc(I)c(C)n1 587185353 SBZORAUBCGPUDI-LBPRGKRZSA-N 367.194 3.067 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3ncc[nH]c-3n2)cc1Cl 586968737 VMEYWLHCFJTOOJ-UHFFFAOYSA-N 357.830 3.139 0 1 FGAF CCN1C=C(C(=O)O)[C@]2(NCCc3ccc(F)c(C)c32)c2cccc(F)c21 962378609 TYLAGKDWUNATRW-OAQYLSRUSA-N 370.399 3.471 0 1 FGAF CC(C)c1nn(C)c2c1[C@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)NCC2 962923062 XYYONIRDNYVEFF-SFHVURJKSA-N 374.851 3.152 0 1 FGAF COc1ccc2c(c1)[C@@H](c1cccc(N3CCOCC3)n1)N(C(C)C)CC2 962088317 GEIXBNMWRSJNRU-QFIPXVFZSA-N 367.493 3.283 0 1 FGAF CCOC(=O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1 1772581527 MDKBYNBEQAYDOP-UHFFFAOYSA-N 355.423 3.234 0 1 FGAF COc1cc(/C=C2\CCn3c2nc2ccccc2c3=O)cc(OC)c1O 14557355 UBCUTNIGHUVICE-UKTHLTGXSA-N 350.374 3.064 0 1 FGAF in-vivo COc1cc([C@H]2Oc3c(OC)cc([C@@H](O)[C@@H](C)O)cc3[C@@H]2C)ccc1O 15112191 ATJXKALKESRMIG-NKPJCWRLSA-N 360.406 3.061 0 1 FGAF biogenic,in-vitro COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)c2ccccc2)cc1 15952254 DERCBWLVMLBEMQ-ZDUSSCGKSA-N 364.405 3.162 0 3 FGAF CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)O[C@@]1(C)O 169622135 RAQOIYLDXSAKSS-BTKZFULHSA-N 366.454 3.247 0 1 FGAF Oc1nc(N2CCC3(CC2)CNc2cc(F)cc(F)c23)nc2c1CCCC2 1857587875 IOYDCKAEKGCUHT-UHFFFAOYSA-N 372.419 3.303 0 1 FGAF CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 3926710 OYTBZXSFNNAVKU-UHFFFAOYSA-N 358.405 3.227 0 1 FGAF in-vivo Cc1ccc2[nH]c(-c3ccccc3)c(-c3nc(NN)nc4[nH]nc(N)c34)c2c1 103274922 UKXQDAUNVKLETP-UHFFFAOYSA-N 370.420 3.344 0 1 FGAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(F)cc3)O[C@H]2[C@@H]1OC 28571637 WVLTVAJDQCMVOR-ZWJPJJENSA-N 374.408 3.410 0 1 FGAF C[C@]1(CC2CCCCC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356312690 DNICCXQXGLXWKX-GHTZIAJQSA-N 374.433 3.016 0 1 FGAF CC(/C=C/C(=O)O)=C\[C@H](C)S(=O)(=O)c1ccc(Br)cc1 66100940 CFZXFZSDGGEROQ-QUDQDJHISA-N 359.241 3.198 0 1 FGAF COc1cc(NCCCCCCN2CCNCC2)c2nccc(C)c2c1 29562553 CYJDIFYLBLUMOQ-UHFFFAOYSA-N 356.514 3.429 0 1 FGAF CCOC(=O)Cc1c(C)n(C2CCN(C)CC2)c2ccc(OC(C)=O)cc12 28604382 SKFOHJOICBFKFK-UHFFFAOYSA-N 372.465 3.247 0 1 FGAF CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 27878049 USLUKHOTVZTHDX-UHFFFAOYSA-N 350.422 3.044 0 1 FGAF CC=C1[C@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(=O)CC)[C@H]4C2)[C@@H]13 2356677483 QZOWXKDNCYWNHV-PYXPWJLNSA-N 368.477 3.208 0 1 FGAF COC(=O)[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]12 2356703250 SUTLCIJKBGLHOW-SQBLYHGDSA-N 358.434 3.397 0 1 FGAF CCC=CCC=CC[C@H](O)[C@H](O)C=C[C@@H](O)CC=CCCCC(=O)O 2356792860 GWRXSUUNZUWJCL-GBESFXJTSA-N 352.471 3.129 0 1 FGAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 74378664 UVMYVXGBFJWQIA-XJKSGUPXSA-N 362.763 3.493 0 3 FGAF CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1cc(N)ncn1 224574161 KVZRWDTVMYJCIZ-UHFFFAOYSA-N 354.389 3.327 0 1 FGAF Nc1c(Nc2ccccc2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 1911577752 CHJSOGGRTSFENL-UHFFFAOYSA-N 353.353 3.500 0 1 FGAF COCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82134131 IZXKJPVVTGHSIK-UHFFFAOYSA-N 362.433 3.132 0 1 FGAF Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1cccc(Cl)c1C 95565840 WXHNJEPKLSQAIN-UHFFFAOYSA-N 363.889 3.092 0 1 FGAF Cn1c(=O)c2c(c3ccc(-c4cccc(Cl)c4)cc3n2C)n(C)c1=O 95596776 FFECTUSSILZCCJ-UHFFFAOYSA-N 353.809 3.049 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1ccccc1)O2 587402151 ZCCGIIIFFUABSJ-JOCHJYFZSA-N 366.461 3.160 0 1 FGAF Nc1ncnc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc12 587068136 ZUQZCRXEQOPCQY-UHFFFAOYSA-N 351.797 3.415 0 1 FGAF Cc1c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cnn1-c1ccc(Cl)cc1 587076263 SYSMJKHUWJYHIE-UHFFFAOYSA-N 360.208 3.185 0 1 FGAF CCS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411074 XNXAQDCQXIQBFU-LJQANCHMSA-N 359.447 3.251 0 1 FGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 586937030 OVURFPJSPFUKDN-MRXNPFEDSA-N 361.492 3.336 0 1 FGAF COc1nccc2nc(-c3cc(I)ccc3F)[nH]c12 587182317 HMOSSYWQSXBNIC-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF COC(=O)[C@@H](C)[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514732 JPPQYMQHHCIINK-ASSNKEHSSA-N 366.417 3.025 0 1 FGAF C[C@@]1(c2ccc(S(N)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530658 GJFYZVJUGZGVEZ-FQEVSTJZSA-N 371.458 3.093 0 1 FGAF COc1ccc2c(c1N)[C@@]1(CC2)NCCc2cc3cccc(OC)c3nc21 963069284 REVYTJVMSIXJHN-JOCHJYFZSA-N 361.445 3.170 0 1 FGAF CN1CCN(c2ccc(Nc3nnc(-c4cc(C#N)cs4)o3)cc2)CC1 210724858 CYIGJYUIAPOYKJ-UHFFFAOYSA-N 366.450 3.165 0 1 FGAF CCN(CC)CCCNC(=O)c1cn(CC)c2cc(Cl)ccc2c1=O 221261296 UHCNOYWMCIDTPA-UHFFFAOYSA-N 363.889 3.137 0 1 FGAF CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1N 1772588126 RMPWVMVFYABUIW-UHFFFAOYSA-N 355.320 3.258 0 1 FGAF O=C(NCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC1CCCCC1 13441887 KOMSBJUHQBWWAX-IBGZPJMESA-N 357.498 3.242 0 1 FGAF Nc1ncc(NCCCO)cc1-c1cncc(Nc2cccc(Cl)c2)n1 13648432 HWMHBHCITCJTIA-UHFFFAOYSA-N 370.844 3.312 0 1 FGAF C[C@H](c1noc(-c2ccc(Cl)cc2Cl)n1)[C@H](N)C(=O)N1CCCC1 14948467 AXGFOOINLKYFCX-ZANVPECISA-N 369.252 3.097 0 1 FGAF Cc1nn(C)c2nc3ccccc3c(NCCCN(C)CCCN(C)C)c12 169328576 DMKYIPIXGFIGMP-UHFFFAOYSA-N 368.529 3.115 0 1 FGAF O=C(NCCCN1CCCCC1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 2912540 ADWROEMRGGOEBI-QGZVFWFLSA-N 370.497 3.036 0 1 FGAF CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O 8691325 GVMMLMRNMLNYSB-UHFFFAOYSA-N 352.387 3.334 0 3 FGAF Cc1c(C2=CC[C@H](C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1F 29041556 UGYUKHCPVLGRRG-HNNXBMFYSA-N 357.433 3.160 0 1 FGAF O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1 115710598 NMGLMXRNNQARRH-UHFFFAOYSA-N 370.497 3.334 0 1 FGAF CC(C)CS(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72102041 DXFDFOLDANWFLJ-HNNXBMFYSA-N 373.400 3.160 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@H]3CCNC3)ccc12 72177377 FKDWBTOUGABYNU-ZDUSSCGKSA-N 352.463 3.295 0 1 FGAF CO[C@@H]1C[C@@H](O)C2=C3c4cccc(O)c4C(=O)C[C@H]3c3ccc(O)c1c32 14724612 VNVXZDRVVHCQPB-IUIKQTSFSA-N 350.370 3.144 0 1 FGAF biogenic COc1c(OC)c2c3c(nccc3c1OC)-c1cc(=O)c(OC)ccc1-2 15263384 UNLMKMRFVJZAEV-UHFFFAOYSA-N 351.358 3.277 0 1 FGAF biogenic CCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82083283 WVFBXJBJGDEEGO-NSHDSACASA-N 365.886 3.498 0 1 FGAF O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1nnc2ccccc21 95576805 XARNHTJRZXBYBP-UHFFFAOYSA-N 371.444 3.370 0 1 FGAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1COC[C@H]2CC(C(=O)O)C1 587536858 XLXXWRCQPYPEAV-DMTCDCDWSA-N 356.418 3.027 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(C)nccc4[nH]3)CC2)cc1 586955533 QDZNSGNEYHBMCR-UHFFFAOYSA-N 370.478 3.143 0 1 FGAF CSc1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1 587532836 OZMUJEAJRANBHW-IBGZPJMESA-N 355.463 3.370 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(N3CCOCC3)c1)O2 587383206 ZBSIXSBBVVRFJH-IBGZPJMESA-N 356.397 3.259 0 1 FGAF Fc1ccc(-c2nc3nc(Br)c[nH]c-3n2)nc1Br 587154725 DMMYNBSEIGQRTP-UHFFFAOYSA-N 372.983 3.031 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cn2)N1 587774798 XVQLIOPKTJHFQT-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF CCOC(=O)CC[C@@]1(c2cccc(OC)c2)NCCc2c(C)ccnc21 963068188 KBYMVESSISLXCM-NRFANRHFSA-N 354.450 3.131 0 1 FGAF O=C(Cn1cc(-c2ccncc2)nn1)Nc1ccc(-c2ccccc2)cn1 1772613135 YKJYGUGTPDWNNH-UHFFFAOYSA-N 356.389 3.041 0 1 FGAF Cc1ccc(CNC(=O)[C@@H]2CC(c3ccccc3C(F)(F)F)=NO2)o1 12727078 RPYYTADMSBTIBL-HNNXBMFYSA-N 352.312 3.416 0 3 FGAF Oc1nc2c(c3nc(-c4ccccc4)nn13)CN(Cc1ccccc1)CC2 13824548 AFNSXXWAFQVNRR-UHFFFAOYSA-N 357.417 3.055 0 1 FGAF COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O[C@@H]2CCC[C@@H](C)C2)ccc1O 169687881 GEYUDGOBFPLGGT-XWGGXCHLSA-N 374.437 3.364 0 1 FGAF CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 169706072 MLERDBQFQWJIBU-UHFFFAOYSA-N 373.464 3.203 0 1 FGAF O=C(CCc1cccc2c1B(O)OC2)Nc1ccc(-c2ccccc2)cc1 1857574517 WBTRGSSNPURWAL-UHFFFAOYSA-N 357.218 3.143 0 1 FGAF COc1ccc([C@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N 1857649462 CENMWWFOPVIYSJ-ADLMAVQZSA-N 372.421 3.027 0 1 FGAF Cn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3ccccc3)nc21 4239108 YGGAMXQJEBQTJY-UHFFFAOYSA-N 357.417 3.252 0 1 FGAF CC(C)NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 8609203 OYWVHTIASMOHBQ-UHFFFAOYSA-N 373.815 3.381 0 1 FGAF CCCCN1CCC(COC(=O)c2cc(C)c(N)c3c2OCCO3)CC1 64548812 JJARXLKFWJOGGB-UHFFFAOYSA-N 362.470 3.017 0 1 FGAF Cc1nc2ccc(N3C(=O)CS[C@@H]3c3ccc4c(c3)OCO4)cc2[nH]1 28652015 ZIIUEMRMAXUCQW-GOSISDBHSA-N 353.403 3.379 0 1 FGAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(CO)cccc3CC[C@@H]21 117630631 XEFJFMWODFSFDD-XLIONFOSSA-N 361.445 3.390 0 1 FGAF Cc1cc2c3c(ccc(C(=O)NCCN(C)C)c3n1)C(=O)c1ccccc1-2 26161637 NPVONFQNLYEXLY-UHFFFAOYSA-N 359.429 3.046 0 1 FGAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4C=CN3C[C@H]2CC[C@H]1O 2356811471 BOXAXUDYLAXNBW-WCCTWHCSSA-N 352.434 3.075 0 1 FGAF CC(=O)NCCOC(=O)[C@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221615 XBPJKECUYUUSQD-CYBMUJFWSA-N 355.390 3.154 0 1 FGAF CC(=O)O[C@@H](Cc1cc2cc3ccoc3cc2oc1=O)C(C)(C)OC(C)=O 15150239 CRCYUDOXNBBJNS-SFHVURJKSA-N 372.373 3.355 0 1 FGAF biogenic CC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1ccccc1)C2 43059927 WEKDKLBOHJXBIR-UHFFFAOYSA-N 373.522 3.338 0 1 FGAF Cc1nc(NCc2ccccc2)cc(NC[C@@H](O)c2ccc(O)cc2)n1 45323563 KDMMOVNIUQGUSV-GOSISDBHSA-N 350.422 3.248 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C(=O)[C@@H]2O[C@@H]21 89455039 QGGPQDSQYUCJOO-CAHBDXQGSA-N 350.455 3.268 0 1 FGAF Cc1ccc([C@H]2C[C@]34CN(Cc5ccccc5)S(=O)(=O)[C@H]3C[C@H]2O4)cc1 96021278 JUEYIPQMHPEYHW-CGXNFDGLSA-N 369.486 3.224 0 3 FGAF NC1=N[C@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)c2cccc(F)c21 149268135 LEFCQXUNQUOKDG-QFIPXVFZSA-N 372.403 3.418 0 1 FGAF COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCN 95552519 XPPKVTJXPOVBAM-URFQIUESSA-N 353.418 3.386 0 1 FGAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)nc1 473166975 GLKLCGNIPXPPEJ-UHFFFAOYSA-N 361.357 3.344 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CO)c1 587606717 FLYBSLGBOAZBBC-GHTZIAJQSA-N 364.353 3.293 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)ncnc2[nH]1 586984454 QJORAERMNOKDTF-SECBINFHSA-N 352.623 3.011 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cccnc12 587587254 NGJBJKZYYTWRNY-DYESRHJHSA-N 361.353 3.427 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(Cc4ccco4)C(=O)C1)[C@@H](C2)C3=O 587437499 JAVBRAFDJSXUFT-HRAATJIYSA-N 365.385 3.111 0 1 FGAF CCn1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587862696 FUCMYIPLELESHC-UHFFFAOYSA-N 364.327 3.482 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cn1)O2 587378429 CBUUYDDPXGECKS-SFHVURJKSA-N 359.813 3.378 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 587105961 HUSXGAASZLQGOY-HUTJROTASA-N 370.408 3.149 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436415 QHUQIYQFMIYHJQ-PMUMKWKESA-N 359.422 3.211 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1 587189726 DILPSUAZJWTKDS-ZDUSSCGKSA-N 355.398 3.015 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(O)c1 587867826 OGIIICYGBYOPFB-UHFFFAOYSA-N 363.295 3.367 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587440359 YVAVFZQANDXCHK-VRHCTWJESA-N 373.449 3.458 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(O)ccc41)[C@@H](C2)C3=O 587436077 LKGZAVDPPSLZTL-LHSJRXKWSA-N 351.402 3.411 0 1 FGAF COC(=O)CC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443791 PRIOFUREICGDLX-IERDGZPVSA-N 352.386 3.291 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(CSCc3ccsc3)[nH]c12 587025685 MMWYOPOYBXVWMH-UHFFFAOYSA-N 367.521 3.308 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425941 IOPBEYNHDBRPDC-RBZFPXEDSA-N 374.339 3.481 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568635 IAFYVHQIYQNVGV-CRAIPNDOSA-N 354.337 3.276 0 1 FGAF COC(=O)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587077212 RRUQJDCBJGIYKK-OAHLLOKOSA-N 356.769 3.015 0 1 FGAF O=C(O)c1cccc2c1CCN[C@]2(c1cc(F)cc(F)c1)c1ncco1 963127783 YNLJIAGWNJXPDL-IBGZPJMESA-N 356.328 3.089 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccccc1C=O 963188491 JWEWVSOJVJCCKI-OAQYLSRUSA-N 367.445 3.257 0 1 FGAF CCCn1c(=O)c2[nH]c([C@@H](CC)c3ccccc3)nc2n(CCC)c1=O 12405512 ZFUJDWYGRZXMJC-HNNXBMFYSA-N 354.454 3.248 0 1 FGAF O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 13580151 ZTIJSDAZRCWHKE-GFCCVEGCSA-N 359.373 3.182 0 1 FGAF Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C)c(F)s2)n1 1857583537 CRTCMEWDFMAVGK-BXKDBHETSA-N 351.403 3.103 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@@H]2C[C@H]1O 2356387981 NCYSTSFUYSFMEO-GPFWEFOESA-N 350.455 3.185 0 1 FGAF Cn1cc(CN2CCN3C(=O)N(c4ccccc4)C[C@@H]3C2)c2ccccc21 2356287777 PTGAWAAXQQORJU-IBGZPJMESA-N 360.461 3.305 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@H](C(C)=O)C[C@@]12C 2356402911 UWQVIOGQUQQNPO-HFZAGBNRSA-N 372.417 3.235 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)[C@@H]1CC[C@@H](C2)N1 100632866 KHORPUNSGKTHMR-WFASDCNBSA-N 368.458 3.066 0 1 FGAF CCOC(=O)[C@@H]1CC(c2ccc(OCCc3ccc(CC)cn3)cc2)=NO1 103296681 USRDFVHLJMECJO-FQEVSTJZSA-N 368.433 3.322 0 1 FGAF Fc1ccc(/C=C2\CNCC3=C2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 101679923 FSCARBKGILDVTO-MOVXZBDNSA-N 369.440 3.425 0 1 FGAF CC(=O)NCCCC1OCC(Cc2cccc(OCC3CCC3)c2)CO1 66263735 ZQHZAVSVXPWIFU-UHFFFAOYSA-N 361.482 3.313 0 1 FGAF COC[C@@H]1CCCN1C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@@H](C)O 2356543389 PMBGUKOWCAZNIX-RISCZKNCSA-N 364.829 3.299 0 1 FGAF CC1=C2CC[C@](C)(O)CCC[C@@](C)(O)[C@H]3CC[C@@](C)(C[C@H]2OC1=O)O3 2356849595 PXEMQPAVJBVDGS-CVYSASLGSA-N 352.471 3.022 0 1 FGAF CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1 74378654 RQGGXXANGATZCL-RTBURBONSA-N 370.474 3.063 0 3 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NCCO)(C1CCCCC1)C(=O)N2 219271089 OESUQVRXTFVGDA-NRFANRHFSA-N 369.465 3.268 0 1 FGAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82073098 DYCFQYFJPFFERN-QGZVFWFLSA-N 355.438 3.171 0 1 FGAF NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccccc1 45211136 SZWYHUAUEZNPQR-UHFFFAOYSA-N 371.440 3.166 0 1 FGAF CC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1 45300576 NGMZLWDETZHMAI-NSHDSACASA-N 357.393 3.438 0 1 FGAF O=C(O)C1=Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3ccccc23)C(=O)N1 142042783 RLKZQOQQNLCTND-GOSISDBHSA-N 357.369 3.336 0 1 FGAF O=C(Cc1cc2ccccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 299822652 AUDSJKPWONZIGM-UHFFFAOYSA-N 374.444 3.217 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1 586921036 VNCCNSZLLZTVET-UHFFFAOYSA-N 354.790 3.338 0 1 FGAF COC(=O)c1cc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2cc1OC 586903484 KNJXGJPSCWIHCL-UHFFFAOYSA-N 354.362 3.446 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885515 BSTJGLVUGIYTTA-MGPUTAFESA-N 367.474 3.185 0 1 FGAF O=S(=O)(/C=C/c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1 586924201 KZHGQNAFENLTNB-VOTSOKGWSA-N 364.329 3.329 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 586946346 KQKANQCPDSHHGH-UHFFFAOYSA-N 367.833 3.049 0 1 FGAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587392359 SXMMFZGJKDENQN-MRXNPFEDSA-N 371.437 3.412 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O 587452516 NSTVUTMOCBHKQV-BUXKBTBVSA-N 357.431 3.074 0 1 FGAF CCOC(=O)[C@@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442199 OYIZCIUFMXUBTM-IERDGZPVSA-N 352.386 3.210 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(=NCc3ccccc3)[nH]c1)O2 587385484 CRUYLBZDVNXUQA-LJQANCHMSA-N 360.417 3.108 0 1 FGAF Oc1cccc([C@H](O)c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586893393 VXDSDSRECKOYLP-NSHDSACASA-N 354.591 3.161 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(CCSc3ccc(F)cc31)N[C@H](C(=O)O)C2 963492900 TYYNQIMLEJKODF-LIRRHRJNSA-N 359.422 3.178 0 1 FGAF Cc1cn(C2CN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772619234 IQXWPIDUXIQJPA-UHFFFAOYSA-N 363.417 3.107 0 1 FGAF Cc1cc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)n(-c2ccccc2)n1 5058688 POHLMAKXYUNQQZ-IAGOWNOFSA-N 354.498 3.279 0 3 FGAF Cc1cc(-c2nnc(CCC(=O)N(C)C[C@H](O)c3ccccc3)o2)c(C)o1 15074038 XSGYLILWFNPDMW-KRWDZBQOSA-N 369.421 3.071 0 1 FGAF CCNC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 169370224 YJLVMNYHBPCQKV-YTCSSCROSA-N 358.526 3.378 0 1 FGAF COc1ccc2c(c1O)CCCC[C@]2(O)c1cc(OC)c(OC)c(OC)c1 1857614803 BLFHAUCBMSANBN-NRFANRHFSA-N 374.433 3.389 0 1 FGAF CCC(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 203854243 LODQKWRODROUNB-UHFFFAOYSA-N 372.428 3.271 0 1 FGAF COc1cc(C[C@@H]2C(=O)OC[C@]2(C)Cc2ccc(O)c(OC)c2)ccc1O 2356356249 ZAMXGUXQNPYBCF-VFNWGFHPSA-N 372.417 3.080 0 1 FGAF COc1ccccc1N1CCC(CNC[C@H]2COc3ccccc3O2)CC1 4641786 XYBADQIMVGSILK-SFHVURJKSA-N 368.477 3.341 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@H]21 100352867 KAQKFAOMNZTLHT-GKZLUUCDSA-N 352.471 3.409 0 1 FGAF COc1ccc(Nc2nc3ccccc3cc2-c2nc(C)nc(N)n2)cn1 113240864 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CCCCc1cc(=O)oc2cc(OCc3nc4cnncc4[nH]3)ccc12 586919178 WSBTZTDWVDJOID-UHFFFAOYSA-N 350.378 3.381 0 1 FGAF Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1F 586928889 LITRRIPDBKNIPN-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1F 587146185 CLBWECRBPURHBJ-TWGQIWQCSA-N 359.426 3.431 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3cc(Cl)cc(C(=O)O)c3)c3cccc1c32 963039584 YMMDROWKNAEWNT-KPZWWZAWSA-N 356.809 3.181 0 1 FGAF Cc1nc(-c2cccc3ccccc23)n(C)c1C(=O)N1CCC(CO)CC1 1772594409 ZVIZICSITCMPPS-UHFFFAOYSA-N 363.461 3.393 0 1 FGAF CN(C)CCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772606726 BLBABIWAGIZDJQ-UHFFFAOYSA-N 355.390 3.202 0 1 FGAF C=C(c1c(Cl)ccc(Cl)c1OC[C@H](O)CNC(C)C)n1ccnc1 5114451 DROIRVKNZDBEFR-CYBMUJFWSA-N 370.280 3.447 0 1 FGAF OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610389 JIVGBDBCGKVLCY-UHFFFAOYSA-N 350.422 3.307 0 1 FGAF OC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205259670 DFLCJIYQRLLZKS-UHFFFAOYSA-N 372.432 3.043 0 1 FGAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(N[C@@H](C)CC)c2c1C 753842 UDOIGBQRDZACNC-VIFPVBQESA-N 365.455 3.102 0 1 FGAF O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2s1 3628315 VNLKYTBQYBAIMY-UHFFFAOYSA-N 374.365 3.409 0 1 FGAF CN(C)c1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1 29474263 KCXKPJOGSCPNQN-UHFFFAOYSA-N 364.375 3.025 0 1 FGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4C(C)C)C[C@H]3C2)n1 116823978 VTHDGBFCMFXWBE-ROUUACIJSA-N 364.493 3.425 0 1 FGAF C[C@@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559096 ZLWHBJIIEMDIFM-BNOWGMLFSA-N 361.463 3.086 0 1 FGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 36388097 UJFYUCPWQYVCNR-GASCZTMLSA-N 362.433 3.392 0 3 FGAF CN1CCN(c2ccc(Nc3ncc(F)c(NC4CCCC4)n3)cc2)CC1 135674620 FANJNWLAACVDJG-UHFFFAOYSA-N 370.476 3.466 0 1 FGAF COc1oncc1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 82064793 ODAOZTDUWWAQTH-INIZCTEOSA-N 371.437 3.391 0 1 FGAF COc1cccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)c1OC 82204199 GAYNJAQSDHWGCP-GJZGRUSLSA-N 372.469 3.028 0 1 FGAF COC(=O)[C@@H]1CC2=C3C=C[C@H]4C(=O)N(C[C@H]3CCC3=C2[C@@H]1CC3)C[C@H]4C 238763501 ASXMVBHXTSDEQQ-KGDADVNPSA-N 353.462 3.257 0 1 FGAF N=C(Nc1ccc2c(c1)CCN2C1CCN(CCO)CC1)c1cccs1 95561536 RPHHBQFRTGKTIY-UHFFFAOYSA-N 370.522 3.005 0 1 FGAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95894480 CJVCYXYZWBPABX-SBHAEUEKSA-N 370.880 3.426 0 1 FGAF CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12 95602191 QROQIIGDSDRLDZ-UHFFFAOYSA-N 368.828 3.303 0 1 FGAF in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@@H](O)[C@@]4(C)CC[C@H]32)C1 255271437 UHSXDCKLIKSRBX-PPAAYLTASA-N 350.499 3.293 0 1 FGAF N=C(NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1 473152896 WWWFSCUMONRSTP-UHFFFAOYSA-N 357.845 3.218 0 1 FGAF CCOc1ccc([C@H]2C3=C(O)OCC3=Nc3nc(SC)nc(N)c32)cc1 299851515 IUDBESOSYXSHSF-LBPRGKRZSA-N 370.434 3.197 0 1 FGAF CCn1c(NC(C)C)nc2c([C@@H]3CCCN(C(C)=O)C3)csc2c1=O 299869866 VNAHXSARBLNPNV-CYBMUJFWSA-N 362.499 3.024 0 1 FGAF COc1cc(/C=C/C(=O)NCCCCN(C)Cc2ccccc2)ccc1O 653715536 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SUHWACOQZSYFJY-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF COc1c(O)cc(OC/C=C(\C)CCC=C(C)C)c(C(=O)CO)c1O 14588149 UXUQTRQPUOUNQT-MDWZMJQESA-N 350.411 3.353 0 1 FGAF CCCCC/C=C\C[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)O 169622163 RIBVJRIPUIBKFY-SGWGDRMNSA-N 352.471 3.251 0 1 FGAF NCC[C@H](N)CCNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857542507 SYVAKYSERATCRD-QFIPXVFZSA-N 367.537 3.051 0 1 FGAF CC(C)CN1CCN2[C@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C 2356302997 JDUBURPJKAJJOW-GOSISDBHSA-N 363.933 3.217 0 1 FGAF CCCCCC(=O)CC[C@@H]1O[C@H](O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356410674 APHSFGGFXCDPTM-LXZJYRNTSA-N 370.486 3.202 0 1 FGAF CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc([18F])cc2)CC1 101743730 NDJDDJXIOFVXRI-WHBREPHUSA-N 353.494 3.101 0 1 FGAF O=C(c1ccc(F)cc1)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103194291 KNCFFHJPEHNREA-CYBMUJFWSA-N 358.266 3.264 0 1 FGAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1 104061048 IWCXRZATXFRHHV-IBOXJLQUSA-N 357.414 3.354 0 1 FGAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)n1 101296953 UZHXGTFGWPKPAD-QAQDUYKDSA-N 371.460 3.143 0 1 FGAF O=C1N=C(NC2CCCCCC2)OC12CCN(Cc1ccccc1)CC2 28823985 SFHSHHPLIZWBRR-UHFFFAOYSA-N 355.482 3.246 0 1 FGAF COc1ccc(OC)c(NC(=O)Nc2nc([C@@H](N)C(C)C)cs2)c1 61930330 DRWHBBYHVKZGLA-AWEZNQCLSA-N 350.444 3.460 0 3 FGAF O=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(Cl)c(Cl)c2)n1 61688131 OGOBDMSRVQFFJZ-UHFFFAOYSA-N 358.188 3.478 0 1 FGAF C[C@@H]1CN(c2ccn3ncc(-c4ccc(-c5ncc[nH]5)cc4)c3n2)C(=O)O1 116184737 SVVPLSULEPLHDS-GFCCVEGCSA-N 360.377 3.132 0 1 FGAF CCOC(=O)c1ccc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc1 27656314 GWDDDKFFSNOBQQ-UHFFFAOYSA-N 371.828 3.236 0 1 FGAF COc1ccc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259191 JMQQKEFAVIZMNJ-AWEZNQCLSA-N 373.405 3.208 0 1 FGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc(C(C)(C)C)on4)cc3n21 218307271 MIJZLNATTILSHA-NSHDSACASA-N 366.421 3.484 0 1 FGAF COc1cc2c3c(c1OC)-c1c(cc(O)c(OC)c1O)CC[C@@H]3N(C)CC2 14645573 QZMVBJGBNBAWHP-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2C)ccc1O 13400436 NDEQJXOUOQJARH-BMLIUANNSA-N 370.357 3.417 0 1 FGAF biogenic CCCCCCOc1ccc(C(=O)CCN(C)C)cc1S(C)(=O)=O 43013094 WPWOBDMYGVKGEJ-UHFFFAOYSA-N 355.500 3.184 0 1 FGAF Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)oc1C 82163036 RKGUZAFJKRFMCP-UHFFFAOYSA-N 350.422 3.377 0 1 FGAF OCCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143273130 VNHRKDSDAJWKHJ-GOSISDBHSA-N 360.335 3.321 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3nccc4occc34)CC2)c1 95567987 XVOGKHBEWGCRSI-UHFFFAOYSA-N 367.478 3.359 0 1 FGAF Cc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN4CC(O)C4)c3)n2)c1 473122506 SPPKMJFTYUFSBQ-UHFFFAOYSA-N 363.465 3.113 0 1 FGAF N=c1cc[nH]cc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578107 MFPXZOKIUQWWLI-UGKGYDQZSA-N 374.396 3.467 0 1 FGAF COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1F 587650485 XOJCELOYKVVYBH-UHFFFAOYSA-N 361.394 3.093 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587799230 RHFJJZGTUOREKP-GTEUGTGKSA-N 356.235 3.363 0 1 FGAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587089919 IRHMBNYCKKXPOJ-ZDUSSCGKSA-N 351.731 3.319 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(F)(F)F)nn1C)[C@@H](C2)C3=O 587423221 SHJQXWYDNMEZNO-MGPLVRAMSA-N 352.312 3.110 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COCOC2)N1 587834918 NKBWKSCDIYUHPZ-QFYYESIMSA-N 358.251 3.348 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3cc(=N)[nH]cc3[nH]2)cc1Cl 586968423 RIBWKJPMIXORDW-UHFFFAOYSA-N 371.857 3.205 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc3c(c1)OCO3)O2 587388057 VFFPNOYDHYCPRU-BXKJMJEDSA-N 366.417 3.242 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1ccc(O)c(OC)c1)([C@@H](C)O)CC2=O 587480232 OEHUSBDYJKANFC-GTJPDFRWSA-N 372.417 3.300 0 1 FGAF CN(C)c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)nc1 587195532 WTLYOGXTJZIXJN-UHFFFAOYSA-N 361.199 3.152 0 1 FGAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C1 587581400 HKFWQUFVNSIDNV-HLLQZAQXSA-N 353.418 3.454 0 1 FGAF CC(C)(C)Oc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(N)cc1F 587136154 KKACVPNKEWWWGS-UHFFFAOYSA-N 367.388 3.104 0 1 FGAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587950291 AQXRSOMNUKQCIA-WQGACYEGSA-N 351.472 3.257 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc(Cl)[nH]c-4n3)cc2N1 587127168 UAXLBQYKRWUXFV-YLWLKBPMSA-N 357.727 3.129 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587408201 OCQBEOWEBFUGQT-FSKQDFAOSA-N 371.433 3.007 0 1 FGAF CCCn1ccnc1[C@]1(c2ccnc(Cl)c2)NCCc2ccc(O)cc21 963331740 ZRNIWASGCQFOFV-HXUWFJFHSA-N 368.868 3.485 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963603987 CUZAGQKYZUNOIN-LRTDBIEQSA-N 373.449 3.336 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23NCCc2ccc(O)cc23)C1 963351781 IUAGCTPVGUYYJU-RRMPHLOHSA-N 358.482 3.400 0 1 FGAF COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)cc1 13605301 DHJHWQLOSUAHII-AREMUKBSSA-N 367.430 3.045 0 1 FGAF CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 13737818 OLNQUFRKNPGGGS-UHFFFAOYSA-N 363.498 3.409 0 1 FGAF O=C(NCCCCCCNC(=O)N1Cc2ccncc2C1)c1ccccc1 166802367 ULJTZQJHVNMHKG-UHFFFAOYSA-N 366.465 3.097 0 1 FGAF CCc1c(-c2ccc(N3CC[C@H](NC)C3)cc2)nc(O)c2c(O)nsc12 1857592567 FIGVLUNPJRWQAN-LBPRGKRZSA-N 370.478 3.130 0 1 FGAF N=C(N)c1ccc(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 1857613104 UKECQOMHZOYYSM-HXUWFJFHSA-N 358.445 3.440 0 1 FGAF Cc1cccc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1 1857755144 MDNZTYQRDWFDBJ-UHFFFAOYSA-N 369.384 3.212 0 1 FGAF CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 2004567 ZIQKOUXGMXLEMB-UHFFFAOYSA-N 352.417 3.112 0 1 FGAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3[C@H](C)CN(C)C[C@@H]3[C@H]2C)ccc1O 38794007 OFDLBJAQGFWTKC-GXFMFHEASA-N 359.466 3.180 0 1 FGAF COc1cccc2c1C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 49033931 CQHQWTYHGDSKFU-CYBMUJFWSA-N 373.416 3.329 0 1 FGAF N=C1S/C(=C\c2c[nH]nc2-c2cccc(F)c2)C(=O)N1c1nncs1 40407116 ACIUOPCTWUSMLL-USTFFRMGSA-N 372.410 3.123 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 1911584699 JYELHVZHUTYKGP-TZWCSUAMSA-N 374.477 3.432 0 1 FGAF C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 95578657 OWWOFJVMVLDYOC-LBPRGKRZSA-N 359.393 3.444 0 1 FGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)Nc1nccs1 25427721 OCAOOGJCWJGGTM-ZIAGYGMSSA-N 358.467 3.055 0 1 FGAF biogenic O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)C(F)(F)c1ccccc1 95665428 JXXHBHGRQRATNJ-UHFFFAOYSA-N 373.315 3.238 0 3 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCN1CCCCC1 587870227 YRBDPRWHQWYGEF-UHFFFAOYSA-N 354.376 3.458 0 1 FGAF Cc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1C 586924881 BUJPLFIMMCPKAV-UHFFFAOYSA-N 356.447 3.399 0 1 FGAF O=C(c1cnccc1C(F)(F)F)n1ncc2ccc(Cl)cc2c1=O 587651187 FGUCBOFCDABPEH-UHFFFAOYSA-N 353.687 3.152 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(N)=O)N1 587749637 PVEQUQXHNSBMAE-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF Cc1ccc(OCC(COc2ccc(C)cc2)N2CCN(C)CC2)cc1 2178320282 WOTAOGRBFLFFCB-UHFFFAOYSA-N 354.494 3.377 0 1 FGAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962908054 TVRWYECLCYXDQQ-BOFXEDATSA-N 355.409 3.452 0 1 FGAF CCc1[nH]c(=N)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1857568996 MBZHXLWMUXOLDU-UHFFFAOYSA-N 366.446 3.243 0 1 FGAF Cc1ccccc1-n1cc(CN2C(=O)COc3ccc(Cl)cc32)nn1 1857756372 KQOOLBCYVFADAE-UHFFFAOYSA-N 354.797 3.155 0 1 FGAF O=C(c1noc2c1CCc1ccccc1-2)N1CCN(c2ccccc2)CC1 2465940 PNQHGMBSAKVVLL-UHFFFAOYSA-N 359.429 3.403 0 1 FGAF Cc1nc(N)cc2c1cc(-c1cnc3[nH]ncc3c1)c(=O)n2C1CCCC1 103260635 BNIPUKZJMJVTAM-UHFFFAOYSA-N 360.421 3.341 0 1 FGAF COc1ccc(OC)c([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)c1 101930484 GQXPISYBJOLKKZ-SFHVURJKSA-N 367.357 3.450 0 1 FGAF Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc(Cl)cc2)s1 66101017 TYAIKUHIJCTLKE-UHFFFAOYSA-N 356.727 3.109 0 1 FGAF O=S(=O)(c1ccccc1)c1csc2c(N3CCNCC3)cccc12 28524528 HDLSZDFKDVHVEL-UHFFFAOYSA-N 358.488 3.144 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13[C@H](O)C[C@@H]1[C@](C)(CO)CCC[C@@]1(C)[C@H]3CC2 2356606379 NHTHQAOIQLEDDF-FUZNTBAXSA-N 362.510 3.460 0 1 FGAF C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccccc2)C1=O 72107005 OJVAEMSSXYGJMZ-OAHLLOKOSA-N 362.183 3.065 0 1 FGAF Cc1cc2cccc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)c2n1C 72175964 ZSHFBKUFTINGGX-UHFFFAOYSA-N 363.417 3.126 0 1 FGAF C=C[C@]1(C)O[C@]2(C)CC[C@H](C(C)(C)C(=O)O)[C@](C)(CC(=O)O)[C@H]2C[C@@H]1O 15166644 XIFSGBXERHTHHK-NHBIHHOQSA-N 368.470 3.089 0 1 FGAF biogenic COc1nc(OC)nc(-c2cc(C(=O)c3ccc(C)cc3)n3ccccc23)n1 473112683 GAFMUMLAXAPUOI-UHFFFAOYSA-N 374.400 3.348 0 1 FGAF CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@H]1C2 653724750 KFIJYBXSQREASD-QGZVFWFLSA-N 355.434 3.464 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@@H](C(=O)O)[C@H]41)-c1ccccc1C2=O 587097005 NJYKBVVJLAONBZ-BSPLBBPOSA-N 370.408 3.067 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc3ncccc3c2[nH]1 587229487 BBPMNIUEBRGVDV-ZIAGYGMSSA-N 352.438 3.148 0 1 FGAF COc1cncc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587014126 LSTVUJHRWQKBJL-UHFFFAOYSA-N 361.427 3.115 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(N)cc(O)n1 587865822 KOESKWYHDMPVFJ-UHFFFAOYSA-N 365.315 3.035 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586985067 YCDLQZDIMGCIEH-SNVBAGLBSA-N 372.226 3.150 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(CNC(C)=O)s1)[C@@H](C2)C3=O 587452070 QGLZWJKNFJCLLO-LIRRHRJNSA-N 357.431 3.056 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587438409 FKSCRJABAKKKSW-UOQGXUADSA-N 358.434 3.425 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586951120 UMEAZALCBPICAY-UHFFFAOYSA-N 357.222 3.303 0 1 FGAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5[nH]ncc5cc4[nH]3)no2)n1 587119219 AFGKISYDHHGTOY-UHFFFAOYSA-N 373.298 3.358 0 1 FGAF Cc1c(C)c(O)n(-c2cc(Br)cnc2Br)c1O 587941551 WGEKJOOESFHNEQ-UHFFFAOYSA-N 362.021 3.425 0 1 FGAF O=C(O)c1cc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)ccc1O 5933572 PGXQQFHHGWTJAA-ORCRQEGFSA-N 351.314 3.213 0 1 FGAF COc1cc2c(cc1OC)[C@H](C)N(C[C@@H](O)COc1ccccc1)CC2 12656981 OZNLOODEISPZDJ-DOTOQJQBSA-N 357.450 3.063 0 1 FGAF biogenic CN(C)CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 13684722 CMYRHYWLVRLMEU-MRXNPFEDSA-N 360.841 3.492 0 1 FGAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cccc(OC)c2OC)cc1 169297549 RQTDPQXSQZQYCA-PXNSSMCTSA-N 368.433 3.222 0 3 FGAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1C(=O)O[C@H](c2ccccc2)C1=O 169727247 DMUUIFGKJLDOPP-UKRRQHHQSA-N 364.184 3.415 0 1 FGAF Cc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 1857643145 VMQYXTUPRJQASQ-UHFFFAOYSA-N 352.463 3.438 0 1 FGAF CCCN(C/C=C/I)[C@@H]1COc2c(O)cccc2C1 13739889 ONVPKPUWGYFERX-LVDDQXARSA-N 373.234 3.356 0 1 FGAF CCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O 1365004 GZNPULYSFAFHCD-UHFFFAOYSA-N 363.417 3.447 0 3 FGAF Cn1c2c(c3ccc(S(=O)(=O)c4ccccc4)cc31)[C@@H]1CC[C@@H](C2)N1 100632789 KJKURLQGTARUPM-GUYCJALGSA-N 352.459 3.360 0 1 FGAF C[C@H]1CCCCN1C(=O)CSc1n[nH]c2c3cc(F)ccc3nc-2n1 102869032 NXSRHJCVADVWSG-JTQLQIEISA-N 359.430 3.090 0 1 FGAF NC(=O)c1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 100620972 TZLUKXSHMGHSDJ-XLIONFOSSA-N 373.456 3.379 0 1 FGAF CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F 103260619 JWLGCFYUZNUXAZ-UHFFFAOYSA-N 356.352 3.137 0 1 FGAF COCCCc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194999 FOYOUTDTJICONH-LJQANCHMSA-N 350.422 3.413 0 1 FGAF Nc1nc(N)c2cc(CN3c4ccccc4C=C[C@@H]4C=CC=C[C@H]43)cnc2n1 64468972 GLHUKNIVNLLYHN-MAUKXSAKSA-N 368.444 3.333 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncccc4C)ncc23)ccn1 219752241 LVQHXBGZNDMXDY-UHFFFAOYSA-N 373.420 3.353 0 1 FGAF Cc1ccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 73140908 KMISJARXMPNJJG-UHFFFAOYSA-N 363.417 3.134 0 1 FGAF COc1ccc(-c2noc(CC(=O)NCc3cccc(Cl)c3)n2)cc1 71928008 VFCJAUWUZLRTQA-UHFFFAOYSA-N 357.797 3.258 0 1 FGAF c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5ccncc5)C[C@@H]4C3)nn2)cc1 45337405 ZUZOACZFTZIAEX-BGYRXZFFSA-N 357.461 3.107 0 1 FGAF CC1=C[C@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 1911570738 MVVGNLVGRXIXOK-JIWOIOHBSA-N 374.477 3.432 0 1 FGAF COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)cc1 45349602 RWTIUNAIYXQLTN-UHFFFAOYSA-N 351.280 3.323 0 1 FGAF COc1cc(COc2ccc(OC)cc2CCCNC(C)=O)cc(OC)c1 49069209 RJJHZVKALYIRGM-UHFFFAOYSA-N 373.449 3.360 0 1 FGAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434761 IMSZLSGUPDADIL-KGLIPLIRSA-N 357.479 3.114 0 1 FGAF biogenic O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2Oc2ccccc2)C1 140225617 YSUKVDCQEFVDLG-UHFFFAOYSA-N 371.400 3.385 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccs4)cnc3cn2)c1 653667546 FQGZJEZHZJTXHP-UHFFFAOYSA-N 370.459 3.496 0 1 FGAF CC1=C[C@@]2(CC(=O)N1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587759650 LSCHIXHYVXRXPN-ABKXIKBNSA-N 353.235 3.084 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3coc4cc(F)ccc34)[nH]c12 587175963 YRDUYFHEFHRSNN-UHFFFAOYSA-N 359.382 3.366 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)nc2[nH]1 587194638 WOQBURGEOBWAMZ-NSHDSACASA-N 353.854 3.129 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc[nH]n1 587866288 ITKRHZJLIDMPOI-UHFFFAOYSA-N 350.300 3.379 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cc(C)cnc2[nH]1)C(F)(F)F 587093325 SKMCXYJVSMSBKA-INIZCTEOSA-N 350.344 3.430 0 1 FGAF COc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cn1 587243963 DNUGZEZIEDLDED-UHFFFAOYSA-N 363.377 3.106 0 1 FGAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncncc2[nH]1 587091222 HBCVLXHIVRZEID-UHFFFAOYSA-N 363.221 3.375 0 1 FGAF CN(C)c1ncc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)n1C 961615541 PFGGBRMBUIDHBH-HNNXBMFYSA-N 361.287 3.016 0 1 FGAF COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962893991 GPYRVSZXIYDDDS-KSSFIOAISA-N 367.779 3.107 0 1 FGAF Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)o1 13761839 QVLCAQOXXBVBFR-UHFFFAOYSA-N 353.350 3.026 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCC(=O)O 169622174 VRHOOVVYFPUEHK-NFVHWJBISA-N 352.471 3.251 0 1 FGAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 4049208 IENGNHVIPVKNPZ-AZUAARDMSA-N 352.434 3.010 0 1 FGAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)cn1 6887655 MPRHFHVKPMRZDF-UHFFFAOYSA-N 359.407 3.163 0 1 FGAF Nc1ccc(/C=C(/C[P@@](=O)(O)[C@@H](N)CC2CCCCC2)C(=O)O)cc1 27179313 HLFIMQPMHNUTJR-XBNGYDHASA-N 366.398 3.262 0 1 FGAF CCNC(=O)c1ccc(-c2ccc3ncnc(NC[C@H]4CCCO4)c3c2)o1 66138719 SVYHZCQATFJFIX-CQSZACIVSA-N 366.421 3.230 0 1 FGAF CNC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12 118239382 DQANMQMIIOKILD-CQSZACIVSA-N 372.379 3.100 0 1 FGAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 29346556 OGOUAXMAWANZPL-KSZLIROESA-N 351.450 3.013 0 1 FGAF COP(=O)(OC)C(O)(c1ccc(Cl)cc1)P(=O)(OC)OC 29226705 GFKUNBLVECLJCG-UHFFFAOYSA-N 358.651 3.414 0 1 FGAF CN(CC[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O)c1ccccc1 2356828378 IFZLQPKMPNKXSV-ZWKOTPCHSA-N 358.482 3.252 0 1 FGAF CC(C)Oc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 73198221 WXTMXPOEYXVWKS-ICSRJNTNSA-N 373.474 3.145 0 1 FGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N3CCCCC3)co2)cc1 82073073 IHJALEXFWSDCJY-GOSISDBHSA-N 367.449 3.267 0 1 FGAF Cn1c(CN2C[C@@H]3C(COc4ccc(Cl)cn4)[C@@H]3C2)nc2ccccc21 40918020 NEMXIGWAGKMPLI-XYPWUTKMSA-N 368.868 3.379 0 1 FGAF NC(=O)c1sc2nc3c(c(-c4ccc(CO)o4)c2c1N)CCCCCC3 49087681 TYPCRWZOLZGKDS-UHFFFAOYSA-N 371.462 3.389 0 1 FGAF COc1c(F)cccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40894030 TWKAKKMODJNAHL-UHFFFAOYSA-N 355.373 3.052 0 1 FGAF O=C(NCCO)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072028 PEZSCXYWCQUQNF-UHFFFAOYSA-N 368.233 3.101 0 1 FGAF CC(C)n1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205759 COCRBENOIOVAEN-HZPDHXFCSA-N 354.454 3.112 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCC4)[C@H]3C2=O)cc1 25410510 PJCGAXQBEAVSAY-ZWKOTPCHSA-N 369.465 3.026 0 1 FGAF biogenic CC1=C(c2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587115172 GYYUWHBDVAUUME-UHFFFAOYSA-N 373.338 3.399 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(OC(C)C)cc3[nH]2)CC1 586953782 ZOTBNLWSPYXCAW-UHFFFAOYSA-N 365.499 3.269 0 1 FGAF COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H]1N(Cc1ccccc1)C4)[C@@H](C2)C3=O 587435438 GFHIPGTVXJDALR-VSCJKUSUSA-N 361.441 3.476 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cn1)[C@@H](C2)C3=O 587421295 LTAGBQNJIXRNAB-ORAYPTAESA-N 372.808 3.279 0 1 FGAF CCN1C(=O)C[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587759780 MTRRPFRGGKUQPS-QGHHPUGFSA-N 367.262 3.474 0 1 FGAF COc1cccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650815 UJHNDCYRDZBSJF-UHFFFAOYSA-N 358.419 3.141 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c[nH]nc1C 587863084 CCBBWOQNCVASOO-UHFFFAOYSA-N 350.300 3.298 0 1 FGAF Nc1c(-c2nc3c(N)ncnc3[nH]2)sc2cc(Br)ccc12 587030739 HSLHSEHLFJUWDR-UHFFFAOYSA-N 361.228 3.162 0 1 FGAF FC(F)c1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cnc2ncnn12 587128305 KNEGSVQUITUHMU-UHFFFAOYSA-N 355.230 3.019 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(OC(F)(F)F)c2[nH]1 587256487 JULRALRDFFGMEG-SECBINFHSA-N 359.348 3.063 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2N1 587125792 VAXNFXNLXYBSSE-HQJQHLMTSA-N 365.315 3.432 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H]1CCOC1)CC2=O 587494434 YLLYLPCFPTYAPX-XCLFUZPHSA-N 362.422 3.038 0 1 FGAF Cc1ccnc2c1CCN[C@]21C[C@@H](OCc2ccc(CN)cc2)C12CCC2 963071627 KGVIYKIQNZQHQS-NFBKMPQASA-N 363.505 3.349 0 1 FGAF O=C1Nc2cccc3c2[C@@]1(CCN1CCN(c2ccccc2)CC1)CCC3 13531234 VJFKVFYLGTWIJL-QHCPKHFHSA-N 361.489 3.425 0 1 FGAF CON(C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714111 RHQIGACYPYFPMM-YBCKDWFCSA-N 360.498 3.279 0 1 FGAF COc1ccc2cc(C(=O)N[C@H]3CC[C@H](OCC(C)(C)O)CC3)cnc2c1 1857562530 HDBXBTLLEWPGJW-QAQDUYKDSA-N 372.465 3.072 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc2c(c1O)C[C@@H](C(C)(C)O)O2 1857599687 KGKXGVCRYJIOFU-KRWDZBQOSA-N 356.418 3.038 0 1 FGAF C[C@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc2N1C1CC1 1857639684 LLRIIMBGCVSUNW-LBPRGKRZSA-N 353.397 3.412 0 1 FGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N(C)C 4205026 ZCOKOTHSZCBVMR-QUCCMNQESA-N 368.433 3.274 0 1 FGAF CCn1ccc2c(OCC(=O)NCc3ccc(C)cc3)cccc2c1=O 4584099 YXTUIJAAWAXOPQ-UHFFFAOYSA-N 350.418 3.025 0 1 FGAF CN(Cc1ccccc1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O 4931301 PMDJKMZIONAWLM-UHFFFAOYSA-N 371.868 3.236 0 1 FGAF CC(=O)O[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C1CCCCC1 6001947 RCFQFICHXFOPDU-RTBURBONSA-N 365.495 3.128 0 1 FGAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccncc1 2356289812 ABUJEASONAQCKL-LLVKDONJSA-N 357.797 3.373 0 1 FGAF O=c1oc2ccccc2c(O)c1C1=NC(S)=N[C@@H](c2cccnc2)C1 100104063 YXHAUWHYCSNIKS-GFCCVEGCSA-N 351.387 3.114 0 1 FGAF CC(C)NC[C@H](O)COc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O 29564613 YGMHSCSRQGACKW-JXFKEZNVSA-N 355.434 3.131 0 1 FGAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(Cl)c(Cl)c2)C1 61927735 HQIIRENVVMKPPZ-KRWDZBQOSA-N 359.297 3.358 0 3 FGAF CO[C@@H]1C=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@@H](O)CC[C@@]1(C)O 2356751173 MSXZCYVPXWHMLP-UYWIDEMCSA-N 366.498 3.292 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccccc1Cl)C2 219337510 RWMUCVBGJKDWBD-LLVKDONJSA-N 367.840 3.416 0 1 FGAF CCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2 84615406 OENRDPZAKUHRRQ-AVGTWUHESA-N 374.506 3.335 0 1 FGAF Nc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Oc1ccccc1 222389423 PNJLKNVXTURZGB-UHFFFAOYSA-N 371.400 3.285 0 1 FGAF CS(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1cccc(Cl)c1 95558606 RCDWAEAZTLYVHF-INIZCTEOSA-N 364.854 3.060 0 1 FGAF COc1c2c(cc3c1-c1ccc(OC)c(=O)cc1[C@@H](N(C)C)CC3)OCO2 238732558 NTSDPAAFGOVQCO-HNNXBMFYSA-N 369.417 3.009 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 253638713 ORFLNTHIEFVEDL-WLRLJWMZSA-N 366.461 3.497 0 1 FGAF COC(=O)[C@@]12C[C@H](C)[C@@H]3[C@H]1c1ccccc1[C@H]([C@@H]3C)N2C(=O)C(F)(F)F 299813611 CTAGORHSTSPKPD-SUVYYFINSA-N 367.367 3.433 0 1 FGAF Cn1ccnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576184 IAXUFFQAHDYKRS-UWJYYQICSA-N 362.385 3.393 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NC)cc1)CC2=O 587471078 QJFYVIBQALSPQT-LJQANCHMSA-N 369.417 3.176 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1c[nH][nH]c1=N)CC2=O 587492995 DWXCEBAHPKVRHX-IBGZPJMESA-N 369.446 3.451 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587232212 OMBVJTHYDGTKRZ-UHFFFAOYSA-N 362.389 3.294 0 1 FGAF Clc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186679 OPSXMWDKWXCPNF-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF COc1ccc([C@]2(C)NCCc3c(C)ccnc32)c2cc(C(=O)O)oc12 963078129 XAUSOMAHKSMAGC-FQEVSTJZSA-N 352.390 3.252 0 1 FGAF O=C(Cn1cc(-c2ccccn2)nn1)Nc1ccc(-c2ccccc2)cn1 1772592157 GBCHBBJXHSDVSX-UHFFFAOYSA-N 356.389 3.041 0 1 FGAF COc1ccc(Cc2coc3cc(OC(=O)N(C)C)cc(O)c3c2=O)cc1 1772610493 KRGYVWWTBWEPOM-UHFFFAOYSA-N 369.373 3.158 0 1 FGAF O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccccc1 5772867 BLMSVQVXIBYJRI-UHFFFAOYSA-N 358.441 3.403 0 1 FGAF Cc1nc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cs1 12438894 XXCIBOZTPGHDCV-UHFFFAOYSA-N 365.361 3.227 0 3 FGAF Cn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC2CC2)c1=O 13603301 OIEMQYSQZAMDTA-UHFFFAOYSA-N 359.429 3.113 0 1 FGAF COc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)c1 1857656797 XFRMYWRLLGJPOV-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 101380714 YNIWFAUXDPPAPK-OKILXGFUSA-N 364.854 3.005 0 1 FGAF O=C1c2ccccc2[C@@](O)(c2ccc3[nH]ncc3c2)N1Cc1ccccc1 116253451 GWVCKDGKNUDQHN-QFIPXVFZSA-N 355.397 3.412 0 1 FGAF COc1ccc(NC(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100906908 GAKWIJXVOUCJFJ-BLIXFSHQSA-N 366.417 3.004 0 1 FGAF COC[C@@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525507 QBPSDADGAHTBDN-OAQYLSRUSA-N 371.433 3.353 0 1 FGAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccno3)c3ccccc23)sn1 29461932 ROLCNFHVHZJEKX-UHFFFAOYSA-N 366.402 3.264 0 1 FGAF CC(=O)O[C@]1(C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC(=O)O 2356501857 OZPCMTCOECGYQW-YFYRFGBOSA-N 354.443 3.480 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2cc1C 2356655960 CPQPBYUKNSJJPD-QFBILLFUSA-N 372.419 3.453 0 1 FGAF FC(F)(F)c1ccccc1OC1CCN(c2ncnc3[nH]cnc23)CC1 72126079 XWZRSIFXJKXRGO-UHFFFAOYSA-N 363.343 3.420 0 1 FGAF Nc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCC2 219003839 HOIRFYNVUGXAON-UHFFFAOYSA-N 356.433 3.499 0 1 FGAF CN(C)CCc1cccc2[nH]c(-c3nc(CCCN4CCCC4)no3)cc12 40762526 QVNDODBXXDYHIN-UHFFFAOYSA-N 367.497 3.350 0 1 FGAF COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 224680010 JCMVHMLGCMABEA-GFCCVEGCSA-N 367.380 3.493 0 1 FGAF CCCCCc1cc(O)cc(OCCCCCCOC(CO)CO)c1 73196495 FRJVCYBEJYZFRD-UHFFFAOYSA-N 354.487 3.434 0 1 FGAF CCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 224965739 IXKTYFOMGJJJCW-UHFFFAOYSA-N 351.435 3.157 0 1 FGAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccccn1 199714401 CZLMREIIWUVEJC-QGZVFWFLSA-N 357.841 3.046 0 3 FGAF COc1cc2c3c(c1)O[C@@H](c1nc4c(cc1Cl)OCCO4)[C@@H](C2)C3=O 587419337 KZMITICQGLNRQU-DYZYQPBXSA-N 359.765 3.004 0 1 FGAF O=C1c2ccc(O)cc2OC2(CCS(=O)CC2)[C@H]1c1ccc(F)cc1 587372298 FIAVNFLKXVNNCJ-ZLGFGDHQSA-N 360.406 3.172 0 1 FGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(N)=O)cc2[nH]1 587075614 JMVRVTHJARILQR-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 587251729 MHSJCUULJKWERN-UHFFFAOYSA-N 357.797 3.401 0 1 FGAF COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216797 MSVHGVQZORYBCM-QGZVFWFLSA-N 351.406 3.078 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCn4c(O)nc5cccc1c54)[C@@H](C2)C3=O 587436784 TXFHBJJRKYHHDV-QKKBWIMNSA-N 362.385 3.187 0 1 FGAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 586911824 MIFCLOJYAJUMSW-RHSMWYFYSA-N 365.499 3.266 0 1 FGAF COc1cc2c3c(c1)O[C@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437471 IOVDXEIZWYKGKQ-HUUCEWRRSA-N 359.422 3.068 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3n[nH]cc32)N1 587794994 MYQCEFWWFKONLT-FVMDXXJSSA-N 350.235 3.425 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766684 HIIYWQQTSPSVBP-PIGZYNQJSA-N 369.278 3.350 0 1 FGAF COc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587771750 CNJQCORVCHVKSM-XLKFXECMSA-N 352.207 3.010 0 1 FGAF COc1nccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587020278 LIHGUJFRMSIHRF-UHFFFAOYSA-N 361.427 3.361 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](S(C)(=O)=O)C1)CC2=O 587488189 PJTCGIADGMHVFP-KPZWWZAWSA-N 352.452 3.036 0 1 FGAF COc1ccc(CCCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c1 587929126 RBSDCLILQBLFBU-LJQANCHMSA-N 354.410 3.479 0 1 FGAF O=c1[nH]cc(Cl)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 223032390 VVVWFUDYRQSLFQ-UHFFFAOYSA-N 359.643 3.197 0 1 FGAF Nc1nc(N)c2c(CNc3ccc4c(c3)[C@H](O)c3ccccc3-4)coc2n1 5939476 AVCHGHBDBVGAHD-QGZVFWFLSA-N 359.389 3.061 0 1 FGAF Cc1noc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2ccccc2-3)n1 13828210 BNQUBQPENBHTCP-UHFFFAOYSA-N 371.400 3.387 0 1 FGAF C[C@H]1SC(N)=N[C@@]2(c3cc(Br)ccc3F)COCC[C@@H]12 169711639 OBRZLTLARDVHMD-YACGNSKGSA-N 359.264 3.270 0 1 FGAF O=C(Nc1ccc(C(=O)N2CCSCC2)cc1)N1Cc2ccccc2C1 167432797 LZBXYKSGWWQKRK-UHFFFAOYSA-N 367.474 3.423 0 1 FGAF CC(C)[C@H](CO)NCc1nc(N2CCC[C@H](C(F)(F)F)C2)ccc1F 204416018 DOOMMOODUSTJDK-WFASDCNBSA-N 363.399 3.106 0 1 FGAF COc1cc(NS(=O)(=O)c2ccccc2)ccc1-n1cnc(Cl)c1 103235392 YWYAMWJIRRGWDO-UHFFFAOYSA-N 363.826 3.335 0 1 FGAF O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12 101449055 RNXYTBTYYPYNEV-YHUYYLMFSA-N 372.218 3.269 0 1 FGAF CC(C)NCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1 28132861 HONKZKLQCHDHBT-UHFFFAOYSA-N 358.463 3.255 0 1 FGAF Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCCO)cc3)c2)o1 29131014 PVXQVDFLEUKVGU-UHFFFAOYSA-N 351.406 3.133 0 1 FGAF CC(C)NC(=O)[C@]1(C)CCN1C(=O)C(c1ccccc1)c1ccccc1 61930571 PZZDNMBFBDFPDV-QFIPXVFZSA-N 350.462 3.334 0 3 FGAF CC[C@@H]1C/C=C\Cc2ccccc2[C@@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959223 GQHJEOPNYJIXRG-ZDYBVPBFSA-N 358.434 3.099 0 3 FGAF C[C@@H](NC[C@@H]1Cc2ccccc2S(=O)(=O)N1)c1cccc2ccccc12 72106491 MDKFVGYYZSZEMH-QAPCUYQASA-N 366.486 3.394 0 1 FGAF CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC4)ccc3c2)CC1 34600271 OWOADWGCGVNNNV-UHFFFAOYSA-N 353.466 3.332 0 1 FGAF CCCCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 14300008 MPFLKMQGGVNBJS-KDOFPFPSSA-N 360.447 3.289 0 1 FGAF biogenic Cc1ccc(C(=O)NC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1 40827892 JOSMRHNPNGATRD-UHFFFAOYSA-N 352.438 3.287 0 1 FGAF Cc1ccccc1CNC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccno1 1911578905 ZQBCWQQDCKFSHI-GOSISDBHSA-N 369.465 3.368 0 1 FGAF CCCCNc1nc(NCCCCCO)nc2cc(OC)c(OC)cc12 82129214 XGRGUMTYDDCNBI-UHFFFAOYSA-N 362.474 3.434 0 1 FGAF CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3ncc(C4CC4)cn3)C2)cc1 149961212 WPTRRVIJOYSVPU-HNNXBMFYSA-N 364.493 3.415 0 1 FGAF COC(=O)[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441429 SZNWYDMKSBDGLX-GAFLKWJRSA-N 368.385 3.124 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587232538 YTDZHIGZEDAJMU-QWRGUYRKSA-N 353.825 3.392 0 1 FGAF N[C@H](N=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157987 SHKAEKXZUKZJRF-GFCCVEGCSA-N 350.151 3.250 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(Cc3ccccc3)c1C)O2 587389368 AGTFEOKXNRNNSH-OAQYLSRUSA-N 362.433 3.406 0 1 FGAF Cc1cc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c(C)n1 587196578 ACHAAUJLMLAGRS-AWEZNQCLSA-N 360.458 3.491 0 1 FGAF CCn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583224 UTIWCNHFJCOGMH-PXNSSMCTSA-N 350.374 3.486 0 1 FGAF COc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl 586962636 TYQOBCPDFCCQGW-LURJTMIESA-N 351.819 3.156 0 1 FGAF COC(=O)c1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2n1 587927859 YKQYVTXQRQKHNA-NSHDSACASA-N 355.394 3.108 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436416 QHUQIYQFMIYHJQ-SUNYJGFJSA-N 359.422 3.211 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)c[nH]1 587254835 QONSRIOBSSMDRF-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1NC=Cn2cccc21 587584858 ASLPKKBVSBYDAT-BBTUJRGHSA-N 360.369 3.297 0 1 FGAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587395821 UJJDXRKZFMNLDB-PXNSSMCTSA-N 354.406 3.043 0 1 FGAF CC(=O)C[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587829129 QRJUXSABNOCTQR-XXFAHNHDSA-N 372.234 3.162 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2([C@@H](N)CC(C)C)C(F)(F)F 963612011 RRUQHWJMWMFTST-KCTSRDHCSA-N 360.420 3.369 0 1 FGAF N[C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1 14961596 IEKFJQOIRAQOSI-IBGZPJMESA-N 359.429 3.192 0 1 FGAF CC(=O)N1CCc2c(c(=Nc3cccc(C)c3)[nH]n2Cc2ccccc2)C1 1857627727 PWOWVSPUJRPEGX-UHFFFAOYSA-N 360.461 3.310 0 1 FGAF O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1 3929132 PSLOTOCMSPTZQN-IBGZPJMESA-N 371.477 3.303 0 1 FGAF CC=C(C)C(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 2356432607 GLVOOJKVWKZSGR-MRXNPFEDSA-N 358.390 3.399 0 1 FGAF CCN1CCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 4950804 UOSULOUXHUVWNY-CYBMUJFWSA-N 369.490 3.265 0 1 FGAF Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3c(C)cccc32)n1 28710364 KADFCYOYLIDPAM-UHFFFAOYSA-N 365.481 3.308 0 1 FGAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100107867 NBIJEXVMYQNMKR-ZBYYUNFXSA-N 373.431 3.468 0 1 FGAF Cc1ccc2nc(C[C@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305408 UKEJMTPCTQVIDV-CVEARBPZSA-N 371.481 3.006 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4C(C)C)C[C@H]3C2)n1 116823976 VTHDGBFCMFXWBE-HDICACEKSA-N 364.493 3.425 0 1 FGAF COc1cc2ccc(=O)oc2cc1OCC=C(C)CCC(=O)C(C)(C)O 2356623588 YFNJPFSETJLTAH-UHFFFAOYSA-N 360.406 3.247 0 1 FGAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCc2ccccc21 61959161 AUKNNPICRLBOQA-DYESRHJHSA-N 360.450 3.467 0 3 FGAF COc1ccc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1O 34190436 BURBOJZOZGMMQF-FQZPYLGXSA-N 356.374 3.205 0 1 FGAF Nc1nc(N2CCCC2)sc1C(=O)c1ccc(Br)cc1 73166867 VFRQCDAMAXXCGP-UHFFFAOYSA-N 352.257 3.319 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C 35791518 WXKAHDUEQYNCAI-JIVFAJJISA-N 362.466 3.173 0 1 FGAF biogenic,in-vitro Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]ccc2c1 73385849 FOIUQQUDMFDDDC-UHFFFAOYSA-N 374.400 3.197 0 1 FGAF CN(C)c1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1 84709114 KHEFYARXAMKJDH-UHFFFAOYSA-N 350.470 3.077 0 1 FGAF FC1(F)CCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1 84652823 ZXSYUOXJWQFKBR-UHFFFAOYSA-N 371.501 3.228 0 1 FGAF O=C(N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1ccc(F)cc1 199408180 OLLKPWIRMMCJFF-SFHVURJKSA-N 358.388 3.276 0 3 FGAF Cc1cnc(N2CCOCC2)nc1NCc1cccc(C(F)(F)F)c1 82202760 LGHDZDXLXLYUOX-UHFFFAOYSA-N 352.360 3.253 0 1 FGAF Cc1ccccc1N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 95578372 SAFRUOMVORAUIK-HXUWFJFHSA-N 353.466 3.344 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@H]3CCCN3)ccc12 149210006 FWIVFRCVWMTDRR-MRXNPFEDSA-N 352.463 3.438 0 1 FGAF c1cncc(-n2c(COC[C@@H]3[C@H]4COC[C@H]43)nnc2SC2CCCC2)c1 621485735 IPMPGIYPQYBGKW-FVQHAEBGSA-N 372.494 3.106 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCN(C)C)cc1)O2 587388103 WHQBPWRWEWSGIJ-NRFANRHFSA-N 354.450 3.398 0 1 FGAF NC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573343 VXXOLZFBIPJQPZ-NQIIRXRSSA-N 365.360 3.347 0 1 FGAF N[C@H](N=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085503 WWIZZDLNQQTDRA-OAHLLOKOSA-N 371.832 3.114 0 1 FGAF Oc1cc(-c2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587946161 TUHXEQOCDWZXRU-UHFFFAOYSA-N 354.385 3.475 0 1 FGAF COC(=O)c1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cn1 587229074 MVLLXQXQKWUGEU-UHFFFAOYSA-N 354.410 3.106 0 1 FGAF CCOC(=O)[C@@H](Cc1ccccc1)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443083 SYCYESUCXILKNO-WWMYMODYSA-N 366.413 3.233 0 1 FGAF CCOC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592527 ADGGBVFTOFJHTF-UZLBHIALSA-N 356.374 3.312 0 1 FGAF NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577521 KWONLWHBAXDTHY-XLIONFOSSA-N 361.353 3.194 0 1 FGAF Cc1nc(-c2ccccc2)sc1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587012891 UNCORKUAPMRDRV-UHFFFAOYSA-N 356.842 3.393 0 1 FGAF NC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135922 IGCFLXIDEDBHJM-UHFFFAOYSA-N 352.138 3.370 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2N)N1 587737312 ZGMWQRLUSOSKTR-JKYUHCHBSA-N 354.198 3.328 0 1 FGAF Cn1cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cccnc21 962707052 HKTWJJZBOHWFGJ-HZPDHXFCSA-N 359.351 3.308 0 1 FGAF COC(OC)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961256 UCBIAITUDSFFFH-INIZCTEOSA-N 359.388 3.191 0 1 FGAF COc1ccc2c(c1N)[C@]1(CC2)NCCc2cc3cccc(OC)c3nc21 963069286 REVYTJVMSIXJHN-QFIPXVFZSA-N 361.445 3.170 0 1 FGAF C[C@]12CCC3(OCCO3)C(OC(=O)c3ccccc3)=C1CCC21OCCO1 5886824 KUDQYNTZJCVUEW-IBGZPJMESA-N 372.417 3.178 0 1 FGAF O=C1CCCc2sc(CC(=O)N3CCCC[C@H]3CN3CCCC3)cc21 13738794 KDFBPMHBQZWFDU-HNNXBMFYSA-N 360.523 3.287 0 1 FGAF COC[C@H]1CCN(C(=O)c2cc(COc3ccccc3SC)on2)C1 14970901 QENRKAVCWYUWRN-ZDUSSCGKSA-N 362.451 3.084 0 3 FGAF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@@H]2CC[C@@H]1N2C 169340210 WBVZUODNCPVLSS-QZHFEQFPSA-N 353.418 3.021 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC=C[C@H]2c2ccc3c(c2)OCO3)cc1 1857543140 OHRCYZMBPLHUIJ-KRWDZBQOSA-N 357.431 3.416 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3c(cc(O)c(OC)c3OC)CN1CC2 1857553349 NBSPNGNYACXYLH-MRXNPFEDSA-N 371.433 3.082 0 1 FGAF CC(=O)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1 1857571877 JDNVTUFDVGJWBV-UHFFFAOYSA-N 353.466 3.265 0 1 FGAF OCc1cccc(-c2cccc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)c1 220734331 BNGIWOYJLFIBNK-QFIPXVFZSA-N 360.461 3.371 0 1 FGAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@]1(C)O 2356333799 WLBDPBPKMGZHHX-ZRBLBEILSA-N 366.505 3.322 0 1 FGAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049485 OHBLQSBEZLPOMK-PZJWPPBQSA-N 360.413 3.040 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)C(=O)C[C@H]1O 2356399219 PXDMIVVIKCMLCB-CGBFIWBNSA-N 364.482 3.116 0 1 FGAF COc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12 28229901 FPDSPJOQMNMWST-UHFFFAOYSA-N 351.815 3.213 0 1 FGAF COc1cc([C@H]2CN=C(c3ccc4nc(O)oc4c3)O2)cc(OC)c1OC 27517652 VZKXPBDQSMLWQZ-MRXNPFEDSA-N 370.361 3.077 0 1 FGAF CCN1CC[C@H](n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1 28862240 IIIUJAFGZIWHQL-HNNXBMFYSA-N 355.463 3.136 0 1 FGAF CCN/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 38174151 PXPQKOARQWHFLH-WJDWOHSUSA-N 364.836 3.387 0 1 FGAF COc1ccc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NC2(CC2)C4)cc1 72108945 NGTDZYCIPFIDGW-UHFFFAOYSA-N 372.428 3.064 0 1 FGAF COc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1 33361837 DHVJKWYKFUQEMQ-UHFFFAOYSA-N 364.449 3.050 0 1 FGAF O[C@H]1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139065769 JXMJVRWUTVYLQZ-INIZCTEOSA-N 363.421 3.369 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(F)ccn1 1911586457 GBIPAUKLXZCHJB-OAHLLOKOSA-N 354.360 3.353 0 1 FGAF CN(C(=O)c1ccno1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254016281 IDGAWOHGRIKCMX-SRCQZFHVSA-N 363.408 3.154 0 1 FGAF COc1ccc2c(c1)C[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)CC2 587945530 FXCBDERGEIOEAE-GFCCVEGCSA-N 358.419 3.091 0 1 FGAF Fc1ccc(-n2nnc(-c3nc4cnc(Cl)[nH]c-4n3)c2C2CC2)cc1 587167693 BFWCQVALESLAOU-UHFFFAOYSA-N 355.764 3.222 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587440834 QVXLCKMZKRQSFI-BSPLBBPOSA-N 368.385 3.210 0 1 FGAF O=C(O)c1cccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 587561531 SUIQEELJPFVOBN-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587432290 KIOKAKXZPQTICV-SIFORAMQSA-N 359.422 3.259 0 1 FGAF CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1NC(=O)OC(C)(C)C 587638474 QLQOAMKBPVNLIE-UHFFFAOYSA-N 362.382 3.319 0 1 FGAF Nc1c(F)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F 587135227 VVXVGLZEUSXHOW-UHFFFAOYSA-N 368.347 3.150 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc4c(C)nn(C)c4nc1Cl)[C@@H](C2)C3=O 587418187 BEGAPDUDSWCSQR-SJCJKPOMSA-N 369.808 3.427 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587432298 KIOKAKXZPQTICV-VQZRKKFQSA-N 359.422 3.259 0 1 FGAF CN1CCN(c2ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3c2)CC1 587060010 XXIQYCDCASFSMH-KRWDZBQOSA-N 369.900 3.211 0 1 FGAF COC(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1OC 587057807 RSGVGUQKHBREEU-ZDUSSCGKSA-N 359.813 3.254 0 1 FGAF Fc1ccc(-c2cn3c(Cc4nc5cncnc5[nH]4)csc3n2)cc1 587166487 UAAALUFPWROLFU-UHFFFAOYSA-N 350.382 3.459 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2N1 587125791 VAXNFXNLXYBSSE-CPCISQLKSA-N 365.315 3.432 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)sc1CC3 587564447 SNMLIEAIBPEGQK-UHFFFAOYSA-N 350.197 3.026 0 1 FGAF CCOC(=O)C(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522442 LXWYRPFMGHJKRZ-IIBYNOLFSA-N 356.418 3.202 0 1 FGAF O=C1c2ccccc2O[C@@H](c2ccccc2O)[C@@]12NCCc1ccc(O)cc12 963340805 IIXNBBUNWQMWPZ-GOTSBHOMSA-N 373.408 3.455 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H](C)C1CC1 1772579921 WFTKWNBPRXJBBC-NSHDSACASA-N 361.449 3.430 0 1 FGAF CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC)c(F)c2)CC1 13561114 OFILBGRLJTWLGG-UHFFFAOYSA-N 364.461 3.130 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 15110997 BHMBVRSPMRCCGG-DEVWMUTQSA-N 352.471 3.251 0 1 FGAF CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1CCCOC 17723249 BRALNMLRUUSOBD-GASCZTMLSA-N 368.547 3.149 0 3 FGAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 101296987 AIMNRLCNWYRUPJ-IYARVYRRSA-N 367.497 3.313 0 1 FGAF NCCC[C@@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857614181 ARJQDCOWQUPBGI-JOCHJYFZSA-N 367.537 3.051 0 1 FGAF COc1cccc(Nc2ncc3ncc(=O)n(Cc4cccs4)c3n2)c1 4238731 FNGWNQKKGATCCS-UHFFFAOYSA-N 365.418 3.049 0 1 FGAF COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCF 29127975 FKHJOYFNYFVDRF-UHFFFAOYSA-N 374.456 3.374 0 1 FGAF CC(C)n1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643201 RUTLJOSDOHQOFL-GJZGRUSLSA-N 354.450 3.364 0 1 FGAF COCC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2Cl)/C1=C(/O)OC 103539575 XHWAUXIARDGMOG-BSHRGCEOSA-N 369.208 3.323 0 1 FGAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2N1CCN(CCO)CC1 26669907 BZBHGCBFWKSYCV-IRLDBZIGSA-N 354.469 3.321 0 1 FGAF CCC[C@@H]1CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@H](C)O5)N[C@H](N2)N34)O1 2356843072 NBSWGTGLRFUXCQ-ORBUVVROSA-N 363.546 3.440 0 1 FGAF COc1ccc([C@@](C)(O)c2nc(N3CCSC3)nc3ccccc23)cc1 1911572182 VJNBAQRWMZRNFD-HXUWFJFHSA-N 367.474 3.405 0 1 FGAF O=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1 43152225 JSTVKVBTXCGTLN-UHFFFAOYSA-N 353.332 3.227 0 1 FGAF COc1ccc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc1O 85871786 BURBOJZOZGMMQF-VPCNSNALSA-N 356.374 3.205 0 1 FGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1 221073686 CUVZGGCTBOIZBH-ZDUSSCGKSA-N 365.437 3.176 0 1 FGAF CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4ccccn4)n3)cc2[nH]1 144187888 LOIXKDZHBNPMJZ-UHFFFAOYSA-N 358.405 3.465 0 1 FGAF CN(C)c1ncnc2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c12 95558943 HZHLBDSGWGQZAV-UHFFFAOYSA-N 357.826 3.110 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52C)[C@H]63)CC[C@@H]41 238744407 FZPHLBWCEDTNMR-FVIYBXPUSA-N 371.521 3.003 0 1 FGAF COc1ccc(-c2nc(N)n(-c3ncnc4cc(Cl)ccc34)n2)cc1 653795310 YSMQTSQELPAIDR-UHFFFAOYSA-N 352.785 3.122 0 1 FGAF Cc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653857015 LIJVMWHHODQYDQ-UHFFFAOYSA-N 361.401 3.320 0 1 FGAF O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(Br)cc1 653802194 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N=c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c[nH]1 586998979 QZSIGRREPQCQBV-OWOJBTEDSA-N 359.183 3.032 0 1 FGAF Oc1nccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183141 AYKZJYHAFUPITI-SNAWJCMRSA-N 363.158 3.439 0 1 FGAF COc1ccc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1O 13608688 ZXBWKOQIWCFRHE-MRXNPFEDSA-N 359.378 3.292 0 1 FGAF CCCCCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169302242 GIZCUFCOBVPITN-OJETZNLWSA-N 355.478 3.062 0 1 FGAF C[C@@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CO2)C(F)(F)F 1545551 XNIJYFMJIVBVTM-OAHLLOKOSA-N 371.336 3.123 0 1 FGAF C[C@@H]1CN2C(=O)CC[C@]34C5=CCC[C@@H]5CC[C@@H]5[C@H](O)OC[C@@]53CC[C@@H]1[C@@H]24 2356420571 GNMRIAQESVHTAO-NDGMARPUSA-N 357.494 3.105 0 1 FGAF CCc1csc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)n1 3814521 FSLBQTAGYFUJKD-UHFFFAOYSA-N 368.505 3.357 0 1 FGAF CCc1c(Sc2ccccc2)n(COCc2cccs2)c(=O)[nH]c1=O 28111907 UEJZHPZAVKXKCS-UHFFFAOYSA-N 374.487 3.486 0 1 FGAF Cc1ccc2nc(C[C@@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356309411 DWHILOQSYMCGFS-JKSUJKDBSA-N 371.481 3.399 0 1 FGAF COc1cc(-c2oc3c(OC)cc(C=CCO)cc3c2CO)ccc1O 2356510053 MISNZRFUPUQJBT-UHFFFAOYSA-N 356.374 3.320 0 1 FGAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21C=C3C 2356667435 MDJQZPYACFNHLR-FEIBYLFLSA-N 362.510 3.460 0 1 FGAF O=C(OC[C@@H]1CC=C[C@@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 2356693626 LMUFXSQJLXONDZ-OTWHNJEPSA-N 352.386 3.006 0 1 FGAF O=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc2ccccc12 68245690 BIYPLCHOLPNPLU-UHFFFAOYSA-N 366.384 3.028 0 1 FGAF COC(=O)c1cncc([C@H]2CN3CCc4c([nH]c5ccccc45)[C@@]3(C)O2)c1 14612620 VIDAWANJVIEOJY-WIYYLYMNSA-N 363.417 3.152 0 1 FGAF biogenic COc1c2cc(c(O)c1OC)CCCC[C@@H](O)CC(=O)c1ccc(O)c-2c1 14611803 FNSIEKLXCBZZLB-CQSZACIVSA-N 372.417 3.442 0 1 FGAF biogenic C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCC 82210768 YQZOOCIOQVXUAO-YPRUQWLOSA-N 364.530 3.435 0 1 FGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccncc21 144473533 LRPNITWPHYVRQF-LLVKDONJSA-N 364.858 3.144 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 238768722 MQNDIFGHQSDIOB-OOOLTRJPSA-N 374.477 3.432 0 1 FGAF CCOC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O 653708991 DMJCISUBCAJHFN-UHFFFAOYSA-N 355.221 3.330 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCSCC4)o1)[C@@H](C2)C3=O 587451859 LCBZFHVLMDDUMU-MGPUTAFESA-N 371.458 3.326 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586964128 VPUUGTXTSDQYKG-GXTWGEPZSA-N 358.427 3.334 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3c(Cl)ccnc3[nH]2)C(F)(F)F)n1 587094223 NHDZVHQNTLENHP-LBPRGKRZSA-N 362.764 3.369 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1coc4cc(F)ccc4c1=O)[C@@H](C2)C3=O 587429434 VOHDVYQFGWYEKM-RBZFPXEDSA-N 352.317 3.429 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4c(Cl)ncnc4[nH]3)n2C)cc1 586965806 YOKOTOQEFMRYJZ-UHFFFAOYSA-N 371.857 3.403 0 1 FGAF COC(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1OC 587071641 MACURJTWWHNNRK-UHFFFAOYSA-N 358.781 3.437 0 1 FGAF COC(=O)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707477 WACNNBXYNTYIAG-SREIQFSDSA-N 370.140 3.053 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)CCCC2=O)N1 587818075 PNTNXYCMGMJSNG-VVVCHXIZSA-N 368.246 3.276 0 1 FGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3ccccc3cc2[nH]1 586959115 OQGZXULDKXIEHH-IBGZPJMESA-N 367.430 3.185 0 1 FGAF COC(=O)CC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587811783 XDAXKFQWZYCXFN-CYWKSYIRSA-N 356.235 3.291 0 1 FGAF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587168981 PHYGGRQYRSMOCV-LLVKDONJSA-N 363.414 3.092 0 1 FGAF C[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587356565 KESUGBCCYLUIPJ-YOGYNEALSA-N 356.349 3.210 0 1 FGAF COC(=O)c1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)ccn1 962999383 RCVHVMDMVXGVKI-IBGZPJMESA-N 365.458 3.472 0 1 FGAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962906220 XLHMLYUVFXEZJB-AMOSPBCESA-N 368.452 3.163 0 1 FGAF COc1ccc2c(c1)CN(C(N)=O)N=C2Cc1c(Cl)cncc1Cl 13436021 MAXOLFIODKJKGF-UHFFFAOYSA-N 365.220 3.238 0 1 FGAF O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccccc1 13442426 VOAPNZIKRKHEHR-UHFFFAOYSA-N 366.348 3.457 0 1 FGAF CC(C)CC(=O)OC[C@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13517880 PHRFEDMLKOKUBM-FALBMNKOSA-N 354.487 3.498 0 1 FGAF Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 150242648 QYURNBXHNZHFLQ-HXUWFJFHSA-N 362.433 3.000 0 1 FGAF CCCCNCC1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]3C1 169349997 JRAMAKRATQPWFA-DNGCBJQESA-N 368.521 3.290 0 1 FGAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166980135 LMYQDAFZILWDHN-UHFFFAOYSA-N 352.438 3.405 0 1 FGAF Nc1nc(N)c2c([S@@](=O)c3ccc(Cl)c(Cl)c3)cccc2n1 25965007 MIZPOFIVXQCJFE-JOCHJYFZSA-N 353.234 3.268 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 6763463 FZESIWAUMQVCEV-ZDUSSCGKSA-N 371.462 3.036 0 1 FGAF Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)s1 6806129 GGVPTMJSDLXUAG-UHFFFAOYSA-N 373.526 3.175 0 1 FGAF O=c1n(Cc2ccc(O)cc2)c2ccccc2n1Cc1nc2ccccc2[nH]1 28569714 MPRUVANZRKSZFZ-UHFFFAOYSA-N 370.412 3.482 0 1 FGAF Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 28826535 IJAUCUHJKNNFJY-UHFFFAOYSA-N 370.412 3.279 0 1 FGAF CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 28958987 UWPKBBIINUNEAU-IBGZPJMESA-N 369.490 3.470 0 1 FGAF CCc1ccc(Br)c(S(=O)(=O)Nc2onc(C)c2C)c1 26469908 UULNADYKRFTRFV-UHFFFAOYSA-N 359.245 3.417 0 1 FGAF CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3cncc(F)c3)ccc2F)N=C1N 114108439 UXZQTODWYSJNTM-LJQANCHMSA-N 373.407 3.132 0 1 FGAF Nc1nc(-c2cc(P(=O)(O)O)ccc2F)c(-c2ccccc2)s1 66103236 FDGYIVFICFSHNX-UHFFFAOYSA-N 350.311 3.001 0 1 FGAF CCc1cc(O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28256834 LQSXYYMRHGEYTG-UHFFFAOYSA-N 373.416 3.012 0 1 FGAF CC(=O)NC(C)(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 27997912 YMHFIDUCFTXBOG-UHFFFAOYSA-N 351.494 3.380 0 1 FGAF COCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2)c1 61924161 OGJXFJJSMJOGOK-ACRUOGEOSA-N 366.461 3.135 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2O[C@@H](CCCCC(=O)O)C[C@@H]12 39343919 RJADQDXZYFCVHV-DYMQNQLFSA-N 354.487 3.283 0 1 FGAF O=C1c2nnc(-c3ccccn3)n2CCN1Cc1cccc(Cl)c1Cl 219146070 UUTDRLSXCYGSLU-UHFFFAOYSA-N 374.231 3.303 0 1 FGAF COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 43020270 QRGCYSHRQBEQSP-GFCCVEGCSA-N 351.834 3.473 0 1 FGAF O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3 40916318 KVICYPUXGNRQCI-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF Nc1cnc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1 224739485 DUMNUHUCARYLNG-UHFFFAOYSA-N 366.396 3.485 0 1 FGAF COc1ccc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc1 40896079 RRFLCHHHASZVRL-UHFFFAOYSA-N 354.387 3.492 0 1 FGAF COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12 299838988 PEZKITZHDBPBRD-UHFFFAOYSA-N 352.398 3.338 0 1 FGAF CCOC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738567 BHJDSPZYLDIJAK-IIRLODAESA-N 373.222 3.036 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587785380 NXPSITVONVWFBY-CABCVRRESA-N 361.401 3.391 0 1 FGAF NC(=O)NCCC[C@H](N)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587260199 SPGJSHGCYCFRBR-AWEZNQCLSA-N 355.467 3.162 0 1 FGAF COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216796 MSVHGVQZORYBCM-KRWDZBQOSA-N 351.406 3.078 0 1 FGAF O=C1CSC[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)N1 587044576 ZCWZYAIZNCIUGC-QMMMGPOBSA-N 351.737 3.019 0 1 FGAF COC(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587402851 IIMDIKHEYNBYQX-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF C[C@]1(c2ccc(-c3nn[nH]n3)s2)c2c(F)cccc2C[C@H]2CCCN21 963114139 RWWYTXQMQIJCEI-XIKOKIGWSA-N 355.442 3.351 0 1 FGAF C[C@@H]1C[C@@]2(CCO1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963184596 PNUMQRZUMPJXFM-BCSUUIJWSA-N 363.763 3.352 0 1 FGAF CC(C)CCN1c2nc(Nc3ccc(O)c(F)c3)ncc2N(C)C(=O)[C@@H]1C 95911127 SXXZIEUJNXRXDY-LBPRGKRZSA-N 373.432 3.282 0 1 FGAF O=C(N1CCCC[C@@H]1Cc1ccccc1)n1ncc(C2(O)CCCCC2)n1 1772574626 FHOSPQWDBMNNDC-GOSISDBHSA-N 368.481 3.495 0 1 FGAF CC(C)NC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745285 UQFCZOKTEDSTLP-UHFFFAOYSA-N 364.409 3.238 0 1 FGAF CCCCNCC1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]3C1 169349995 JRAMAKRATQPWFA-ZYRMUBPZSA-N 368.521 3.290 0 1 FGAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C(C)C)N2CC2CCCC2)cc1 169721155 FGJFHAXXXSPFQQ-TZIWHRDSSA-O 356.534 3.108 0 1 FGAF Cc1cc(Br)cc(C)c1C/N=c1\c(O)c(O)\c1=N/C(C)(C)C 3822744 MMVVDVGCBOFDNF-AXPXABNXSA-N 365.271 3.153 0 1 FGAF CC(C)CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 4224596 XWQPGJGMTGYUPQ-HSZRJFAPSA-N 351.859 3.273 0 3 FGAF CC(C)NC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O 8672383 ROLPOLNDPIEXSR-UHFFFAOYSA-N 356.350 3.082 0 3 FGAF COC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53295440 AMPMHMRKCJOKNC-QGZVFWFLSA-N 357.475 3.354 0 1 FGAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114346454 ODIBHBBABRKJIO-MRXNPFEDSA-N 369.856 3.097 0 1 FGAF CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 27418320 HKJVXDHWDCDFJT-UHFFFAOYSA-N 361.467 3.281 0 1 FGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 117689342 UAYPDTAQGNMZQJ-LBPRGKRZSA-N 373.416 3.085 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 61927824 WUDHUKPUQRLPBS-SFHVURJKSA-N 354.397 3.057 0 3 FGAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(=O)O)c1O 27903114 PIPSIOKCMODWSH-UHFFFAOYSA-N 360.362 3.329 0 1 FGAF COc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 28707094 JIXRGOVACNEBTD-UHFFFAOYSA-N 362.389 3.283 0 1 FGAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356753525 GMANNNGILPFSTB-XUVXKRRUSA-N 361.530 3.479 0 1 FGAF CC1(C)[C@H]2CC[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=CC[C@H]1O 2356867096 VRNLFGHQVVPEKR-KLHJMIIUSA-N 374.433 3.259 0 1 FGAF CC1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2ccccc2)CC1 32971103 FSTUVTKBCXEIIA-UHFFFAOYSA-N 374.462 3.422 0 3 FGAF Cc1cn(C)c2c(Cn3c(=O)n(CCC(=O)O)c4ccccc43)cccc12 72176815 ZJLQFSBJVCYOKQ-UHFFFAOYSA-N 363.417 3.126 0 1 FGAF CCCNC[C@@H](O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 40918373 KAFQSPVZOMLOIT-MRXNPFEDSA-N 353.418 3.199 0 1 FGAF COCON1C(=O)/C(=C\C(C)C)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O 84651985 ULXWSQJJATYSPE-MVDPLZLPSA-N 374.481 3.348 0 1 FGAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccccc2F)C(=O)O)cc1OC 95592798 FEZMNPXILMKQSD-XSFOEPMVSA-N 374.364 3.095 0 1 FGAF Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc1 257266130 MBSNJWHJVBCWNV-KRWDZBQOSA-N 351.410 3.064 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3nc(Br)ccc31)O2 587371877 HLWGJRNHDGMDQF-KRWDZBQOSA-N 374.238 3.411 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586962564 GIZLXCGKPWQSAW-GFCCVEGCSA-N 356.411 3.192 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587398738 HILVJTWUKDWKPM-SZNDQCEHSA-N 351.402 3.488 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)s1)O2 587411733 VCPZWHKFUDKSAN-IBGZPJMESA-N 358.463 3.356 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587441966 WIJNGLQARKHXKD-RSXSOOJNSA-N 354.358 3.036 0 1 FGAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 587242778 ZOTKLSHXQIBZNI-UHFFFAOYSA-N 357.439 3.389 0 1 FGAF COc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586921972 IYDPPBOJZYJQDH-UHFFFAOYSA-N 356.447 3.077 0 1 FGAF Cn1ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548693 QEPIEZPDNBLCQT-RDTXWAMCSA-N 356.765 3.482 0 1 FGAF COC(=O)c1c(Cc2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587648960 DUKBKBBDPXUQCS-UHFFFAOYSA-N 361.394 3.088 0 1 FGAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ncc[nH]c-2n1 587230191 AXDDJKGXCVEQFQ-UHFFFAOYSA-N 374.404 3.194 0 1 FGAF CCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597894 SIKBSNKSPCQASU-OXJNMPFZSA-N 356.374 3.456 0 1 FGAF O=C(c1cccc(O)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607009 GIVIBTZQPNIJHQ-UTKZUKDTSA-N 362.337 3.311 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@](CC(=O)C(C)(C)C)(C(F)(F)F)NCC2 962935000 XENITGJNEWORAX-GOSISDBHSA-N 370.415 3.297 0 1 FGAF Cc1cc2c(cc1O)[C@](C)(c1ncc(-c3ccccc3)o1)N[C@H](C(=O)O)C2 963508713 LYETZOQOGOWJMN-HRAATJIYSA-N 364.401 3.218 0 1 FGAF O=S1(=O)CC[C@H](NCCOc2cc(F)ccc2Cl)c2ccccc21 141948829 AEFLXCQZNZJMOD-HNNXBMFYSA-N 369.845 3.366 0 1 FGAF C[C@]1(CO)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1 1772625576 XPJWLGZQJGVNCV-HXUWFJFHSA-N 352.342 3.028 0 1 FGAF COc1ccc(C)cc1Nc1n[n+](C)c(-c2ccc(C(=O)O)cc2)s1 12510188 CKXRQBOEDGTDKM-UHFFFAOYSA-O 356.427 3.393 0 3 FGAF COc1ccccc1N1CCN(CCCCn2nc3ccccc3n2)CC1 13738291 RPROZLOYHFRZSW-UHFFFAOYSA-N 365.481 3.042 0 1 FGAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2N)n1C 14944750 ZDGXKLKXFQIKGA-JXAWBTAJSA-N 373.931 3.218 0 1 FGAF C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 17908436 XMYVNGXTEVFLAH-LBPRGKRZSA-N 355.825 3.387 0 1 FGAF Cn1cc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)cn1 1857534932 KELFDRBKWVQJQL-UHFFFAOYSA-N 362.441 3.081 0 1 FGAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(C)cc23)N1 1857544245 FVOJXOIBWGXZFD-GOSISDBHSA-N 371.437 3.389 0 1 FGAF Cc1c(C(=O)N2CCCCC2(C)C)cnn1-c1nc(O)c2sccc2n1 1857611243 ZVPGRAZMHBXTPI-UHFFFAOYSA-N 371.466 3.296 0 1 FGAF COc1cc(OC)c(-c2cn3cc(N4CCNCC4)ccc3n2)cc1Cl 1857618318 LJUNIBAEMSCXBV-UHFFFAOYSA-N 372.856 3.082 0 1 FGAF COC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21 4078369 YZOHVDSVWWUENU-UHFFFAOYSA-N 354.431 3.469 0 3 FGAF COCc1c(CO)cc(OC)c(CC=C(C)CC=CC(C)(C)O)c1O 2356446861 HSBZAMRITVXXEP-UHFFFAOYSA-N 350.455 3.246 0 1 FGAF COc1ccc2c(c1)CN(C(=O)Nc1ccccc1)CC[C@@H]1COC(=O)N21 2356293764 KDXJBNCGBYVPSG-MRXNPFEDSA-N 367.405 3.458 0 1 FGAF CN1CC[C@@H](N2C(=O)CN=C(c3ccccc3F)c3cc(Cl)ccc32)C1 27755379 KEHXHBQNUQZXMX-CQSZACIVSA-N 371.843 3.367 0 1 FGAF COc1cc(C(=O)c2c(N)c3cccc(C)c3n2C)cc(OC)c1OC 29136220 WSLUQJAEZFELQB-UHFFFAOYSA-N 354.406 3.326 0 1 FGAF CCCCCC=CC[C@H]1[C@H](C=C[C@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O 2356708510 RZCPXIZGLPAGEV-SPOLIRPYSA-N 354.487 3.043 0 1 FGAF COc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)[nH]n1 61930567 WMFUHWFJDWQMIK-UHFFFAOYSA-N 368.368 3.435 0 3 FGAF C[C@H](C(=O)c1ccc2c(c1)OCO2)[C@H](C)C(=O)c1ccc2c(c1)OCO2 14437628 GOQCVHOZONDOOT-RYUDHWBXSA-N 354.358 3.482 0 1 FGAF biogenic CN(C)CCCN1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 39223497 IJSIBXVLNRATNY-JTHBVZDNSA-N 366.505 3.031 0 1 FGAF Cc1nc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)Nc1ccccc1 40864163 WABDTDYVRBXZKB-UHFFFAOYSA-N 374.466 3.209 0 1 FGAF O=C(O)c1cn(CCCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O 84710572 UVJCUWQMPXLZNR-UHFFFAOYSA-N 363.369 3.495 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncc(C(F)(F)F)cn3)C2)cc1 149951481 XYBZRPWPPLEAKH-NSHDSACASA-N 364.371 3.296 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccccn3)C2)O1 96018798 HQXUOTKTKLXUTC-CTNGQTDRSA-N 359.514 3.244 0 3 FGAF Cc1cc(C)c(S(=O)(=O)Nc2nc(N(C)C)nc3ccccc23)c(C)c1 95872212 KWMNDWXNLPOHKX-UHFFFAOYSA-N 370.478 3.422 0 1 FGAF N=C(N)NC(=O)N1CCc2c(Cl)ccc(-c3ccc(F)cc3F)c2C1 473170741 NHIZWZOJKCSQNQ-UHFFFAOYSA-N 364.783 3.246 0 1 FGAF COC1(OC)C(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)C(C(C)C)=CC2=O 85558148 FBIXXXXACRPEFX-NQIIRXRSSA-N 374.477 3.422 0 1 FGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccnc1Cl)O2 587380909 XYODEKSYTJITGM-GOSISDBHSA-N 359.813 3.378 0 1 FGAF O=C(c1cn2cc(Cl)ccc2n1)n1ncc2ccc(Cl)cc2c1=O 587651554 LXNMJTPVNCGZOB-UHFFFAOYSA-N 359.172 3.040 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(CC(=O)O)c3ccccc13)O2 587389367 HXIQLIVECVLSTN-NRFANRHFSA-N 364.401 3.497 0 1 FGAF CCOC(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 587777423 LMDXQZVZYLKNIX-UHFFFAOYSA-N 362.021 3.194 0 1 FGAF COc1cc2c3c(c1)O[C@@H](Cc1c(Cl)nc(C)nc1Cl)[C@@H](C2)C3=O 587423077 TYDPDDKIYNSQMD-PWSUYJOCSA-N 365.216 3.459 0 1 FGAF O=C(O)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604272 RVJBUWPXIJGNPT-LCIZUOBNSA-N 354.358 3.367 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOc4ccc(NC(C)=O)cc41)[C@@H](C2)C3=O 587426979 BSYLRFZSQOPJTE-KKSFZXQISA-N 365.385 3.079 0 1 FGAF CC(=O)NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCC(C)CC1 587234102 FXFCOGSKMDEPDR-UHFFFAOYSA-N 369.238 3.401 0 1 FGAF CCOC(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441593 LGLFIGRHDNPSFZ-IIBYNOLFSA-N 352.386 3.291 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Cl)ccnc4[nH]3)cc12 587037004 CYVYLTJUENMKPG-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF O=S(=O)(/C=C\c1nc2cc(Br)cnc2[nH]1)c1ccccc1 586924072 GLZJXPZTJFDHNV-SREVYHEPSA-N 364.224 3.165 0 1 FGAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443076 SYCYESUCXILKNO-CBGDNZLLSA-N 366.413 3.233 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)no2)N1 587798337 UWUDREPKRGAEFC-KWKYVRJSSA-N 369.190 3.072 0 1 FGAF CC[C@H](C(C)=O)[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962677507 ZXWFNNGXHUNZPT-MAODMQOUSA-N 354.450 3.164 0 1 FGAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)NCCc2c(C)ccnc21 963070930 IALZGZNOXWURCQ-FXAWDEMLSA-N 358.869 3.436 0 1 FGAF COCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651120 FWOAGXWBKNLXNV-IBGZPJMESA-N 362.429 3.331 0 1 FGAF COc1ccc2c(c1)O[C@@H]1c3cc4cc(C(C)(C)O)oc4cc3OC[C@]21O 15261717 XRYDGCQYNMEJEL-CTNGQTDRSA-N 368.385 3.383 0 1 FGAF endogenous,in-man CCCC[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 169311084 NHAKCBNDIGPYRC-WVGQYMMYSA-N 355.478 3.350 0 1 FGAF Cc1ncc(-c2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cn1 1857591095 LRIFABNGMLEASZ-UHFFFAOYSA-N 367.416 3.407 0 1 FGAF CC(=O)O[C@@H]1C[C@@H]2[C@]3(C=C[C@]1(CO)C3)CC[C@@H]1C(C)(C)CC[C@H](O)[C@]12C 4104843 FAXNCFASJYDJQE-XHMTVPDMSA-N 362.510 3.460 0 1 FGAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCO 4213718 VMEPBGXVOFNXMR-OALUTQOASA-N 362.470 3.208 0 1 FGAF O=C(NCc1ccccn1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 4918822 YXFLOPCBAMVOJQ-UHFFFAOYSA-N 370.455 3.027 0 1 FGAF C[C@H]1/C=C/CC(=O)NCc2cccc(c2)CNC(=O)N[C@@H]1c1ccccc1 102874975 KSBGAXIOHACUNA-LXBVETIDSA-N 363.461 3.439 0 1 FGAF CCCCc1c(O)c2cccnc2n(-c2ccc(OC)c(OC)c2)c1=O 101238918 UFLHYGXKFXKJIK-UHFFFAOYSA-N 354.406 3.451 0 1 FGAF C[C@H]1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1 100468394 PMSPHDGHPUKYPW-KNEMVRMJSA-N 356.451 3.096 0 1 FGAF CCCCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 116301567 UXVRTOKOJOMENI-RJLXEJLQSA-N 352.471 3.129 0 1 FGAF CC(C)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cc2)n1 64539101 GNGCBEUJIURHCQ-UHFFFAOYSA-N 363.469 3.143 0 1 FGAF CCCCCC[C@H](C(=O)O)n1cnc(NC(=O)c2ccccc2C(=O)O)c1 27519196 DLWQPWINAKOTAS-OAHLLOKOSA-N 373.409 3.430 0 1 FGAF CCCCC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@@H](O)CCCC(=O)O 2356759235 UXVRTOKOJOMENI-CEXWTWQISA-N 352.471 3.129 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3cccs3)n2)=CN1 2356852410 JJOIFHNGILZASM-OAHLLOKOSA-N 356.475 3.020 0 1 FGAF NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 36216358 WBHIZNRNVFOZMJ-UHFFFAOYSA-N 351.494 3.076 0 1 FGAF in-vivo COc1ccc(-c2c(CO)c(CO)cc3cc4c(cc23)OCO4)cc1OC 15119329 INLLAUCENKFUDX-UHFFFAOYSA-N 368.385 3.237 0 1 FGAF biogenic C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1N(C)c1ncnc2[nH]ccc12 66258852 CFQZFXWCFBDZIK-SWLSCSKDSA-N 355.467 3.006 0 1 FGAF CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)C1 73164637 RTYCWHGGZAEBPU-VIFPVBQESA-N 367.400 3.244 0 1 FGAF NC(=O)c1cc(F)cc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12 49067846 IKMSCTKNIPLUAO-HNNXBMFYSA-N 356.376 3.422 0 1 FGAF CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224686487 TVSNPHDXJDZZJY-UHFFFAOYSA-N 372.425 3.109 0 1 FGAF COc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1O 238782236 OMOIZXXJALXEEK-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF Cc1cccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)c1 95580604 HTIKKDYTZFOQEH-FQEVSTJZSA-N 353.466 3.344 0 1 FGAF CN(C)c1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621431160 VPXBAEIAQHKKDA-LJQANCHMSA-N 364.445 3.346 0 1 FGAF N[C@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1F 587144222 JZANGXXXWWQCNW-LLVKDONJSA-N 350.191 3.413 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1/SCC(=O)N1C)(c1ccco1)O2 587413224 FQNZUCXMOQZOTD-OJEAVSNDSA-N 370.430 3.078 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587229822 CGFQQOGEMVERIG-IRXDYDNUSA-N 355.482 3.478 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(=N)[nH]2)N1 587855563 WQIICUYSKQIBBE-NXSYQRQQSA-N 356.264 3.255 0 1 FGAF O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586967457 YFGJSCRRQUBUSX-UHFFFAOYSA-N 357.288 3.358 0 1 FGAF N[C@@H](N=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586996658 ITPYDQWKDGIPAF-WBMJQRKESA-N 374.242 3.292 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCOC3)c2cn1)c1ccccc1 1772658126 UREHHTBQCIPCLV-OCCSQVGLSA-N 367.409 3.008 0 1 FGAF O=C1CCOc2c(OCCNCCCCc3ccc(O)cc3)cc(F)cc21 13780393 PANSEUSOFQCKJJ-UHFFFAOYSA-N 373.424 3.488 0 1 FGAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C1CC1 166834309 XYLAGOOEOVDRNG-ZDUSSCGKSA-N 350.422 3.158 0 1 FGAF COc1cc2c(cc1C(N)=O)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857534974 RVDDCWOBNZOYBM-XMSQKQJNSA-N 365.477 3.247 0 1 FGAF O=C(NN1C(=O)CS[C@H]1c1cccc(F)c1)c1nsc2ccccc12 1857765581 OGBBLBGAHCYKEJ-KRWDZBQOSA-N 373.434 3.354 0 1 FGAF Cc1cccc(CCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)c1 6771869 STGBAUNGJLSPAT-UHFFFAOYSA-N 359.429 3.301 0 1 FGAF COC(=O)[C@H]1[C@@H](c2cccc(/C=C/Br)c2)C[C@H]2CC[C@H]1N2 101108906 HRJQWACHSNEZEE-PSCPHALVSA-N 350.256 3.449 0 1 FGAF COc1ccc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3ncnn32)c(OC)c1 103542754 CWXRNJVYPTUYQH-UYTDBDHRSA-N 358.398 3.185 0 1 FGAF C[C@H](NC(=O)Nc1cccnc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356317171 UDCYVHBZCQHPDB-JTQLQIEISA-N 370.340 3.457 0 1 FGAF C[C@@H]1CN(CCCN2CCc3[nH]c4ccc(Cl)cc4c3C2)C[C@@H](C)N1 29482554 OVWHZFQHVQNCGF-HUUCEWRRSA-N 360.933 3.252 0 1 FGAF CO[C@H](CCCC[C@H](C)CC(C)=CC(C)=CC(=O)O)[C@H](CO)C(=O)O 2356851944 QLJHLVMHRMAVKG-RRQGHBQHSA-N 356.459 3.258 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 38298810 UEOHDZULNTUKEK-KIHHCIJBSA-N 374.532 3.085 0 1 FGAF endogenous,in-man Cc1cc(NCCCN2CCCC2=O)n2nc(-c3cccc(F)c3)cc2n1 72180195 JUNJVYAYJCTVIL-UHFFFAOYSA-N 367.428 3.268 0 1 FGAF CC1(C)OC(=O)[C@H](c2cccc(F)c2)[C@@H]1c1ccc(S(C)(=O)=O)cc1 40762675 SRBHRJQIWKGVHK-SJORKVTESA-N 362.422 3.432 0 1 FGAF COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2)n1 82133152 XTQHCMKZHXOZRV-UHFFFAOYSA-N 354.454 3.218 0 1 FGAF COCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82150674 XHGNYGWHZHEOAD-UHFFFAOYSA-N 372.444 3.404 0 1 FGAF CC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 238734770 PXDMIVVIKCMLCB-SJFAHALCSA-N 364.482 3.116 0 1 FGAF CCNC(=O)Nc1ccc2ncc(-c3cc(Cl)c(O)c(OC)c3)nc2n1 144155949 CJANMZPZNNYAPL-UHFFFAOYSA-N 373.800 3.201 0 1 FGAF Cc1cc(CNC(=O)c2cc(CSc3nc(C)cc(C)n3)on2)ccn1 263620428 FPLTYHWZNYWMJS-UHFFFAOYSA-N 369.450 3.007 0 1 FGAF in-vitro c1ccc(COCc2nnc(S[C@@H]3CCOC3)n2-c2cccnc2)cc1 618017257 JOEXTVRICIMSAL-QGZVFWFLSA-N 368.462 3.260 0 1 FGAF O=C(c1cccc(Cl)c1)[C@H]1CNC[C@@H]1c1ccc2c(O)ncnc2c1 263621062 SWYGPPMJBPTZSH-CVEARBPZSA-N 353.809 3.175 0 1 FGAF in-vitro Fc1cc2c(c(Cc3nc4cc(Br)ncc4[nH]3)c1)OCOC2 587171568 OQVDTEPTTGGVBJ-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)ncc3[nH]2)CCC(=O)CC1 587234749 UXKCCQABAQYUQU-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc(C)cn1 587862412 NDESJULUUBCLHS-UHFFFAOYSA-N 362.311 3.364 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]ccnc1-2 587590175 RRYJAIXGPWOZOX-HNAYVOBHSA-N 359.341 3.318 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N)=COc2cc(OC)ccc21 587473220 RGTFONPIBTXQLU-OAQYLSRUSA-N 367.401 3.407 0 1 FGAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC 587926181 KLADWYCQLYNURH-LLVKDONJSA-N 367.405 3.257 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4[nH]c1=O)[C@@H](C2)C3=O 587436127 LYEVCCAOVPPNFY-VBKZILBWSA-N 363.369 3.034 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3C)N1 587757641 HFJRIEMKZOHVMR-DYZYQPBXSA-N 364.262 3.436 0 1 FGAF CCN1C(=O)C[C@@H](c2nc3cc(N)c(N)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062506 WTIRXNIPZJGRTL-ZMZPIMSZSA-N 369.856 3.458 0 1 FGAF CCOC(=O)C(F)(F)[C@H]1CC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587422987 WKMBOOFNAMEHPQ-WHWRDJHUSA-N 366.360 3.180 0 1 FGAF COc1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1 587150154 ZSVVBYZXTMRTHG-UHFFFAOYSA-N 355.413 3.134 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccn2n1 587589907 YRKYHBRMNHDWDL-APWZRJJASA-N 359.341 3.138 0 1 FGAF CC(=O)N1CCc2c(cc(-c3cccc(Cl)c3)c(=O)n2CC2CC2)C1 1772584500 QPIADADOJOQULY-UHFFFAOYSA-N 356.853 3.483 0 1 FGAF O=C(CCCN1CCN(c2ncc(Cl)cn2)CC1)c1ccc(F)cc1 13730846 VIKBJCYXHQEQEN-UHFFFAOYSA-N 362.836 3.054 0 1 FGAF COCCNc1nc(-c2ccc(C(C)=O)s2)nc2c1ncn2C(C)C 14947371 NGDPEZQIMUFAOC-UHFFFAOYSA-N 359.455 3.397 0 1 FGAF COc1cccc(N2CCC(=O)N2CCCC(=O)c2ccc(F)cc2)c1 169344310 KJHYNNMRTAPMLH-UHFFFAOYSA-N 356.397 3.451 0 1 FGAF CNC[C@H](O)CN1CCc2c(cccc2Oc2ccc(F)c(Cl)c2)C1 1857593939 NTXVUZREUKEWIS-AWEZNQCLSA-N 364.848 3.210 0 1 FGAF COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c2ccccc12 3814958 WRDIIGHJSQOTJF-UHFFFAOYSA-N 360.421 3.272 0 1 FGAF CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1 4238720 BQLOIIXVLDDQJX-UHFFFAOYSA-N 361.380 3.414 0 1 FGAF CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccccc1 58582410 FUNLPOKPIPLUBX-UHFFFAOYSA-N 373.522 3.042 0 1 FGAF COC(=O)c1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102476881 KLKICFUWTXWYDA-AWEZNQCLSA-N 358.785 3.390 0 1 FGAF aggregator Cc1ccc([C@@H]2CNC(=O)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 26575608 KBOAFUZEVQEQBO-HNNXBMFYSA-N 350.827 3.104 0 1 FGAF COc1ccc(OC)c2[nH]c(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)cc12 2356555428 UUQAOEILKFPJBT-RHSMWYFYSA-N 371.481 3.179 0 1 FGAF O=C(O)CCCCC=CC[C@@H](O)CCC=CC=C[C@H](O)CCCC(=O)O 2356733843 BCZGHMCTSJAJRR-MSOLQXFVSA-N 368.470 3.447 0 1 FGAF C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1 72118304 LBRODLJSFLEILM-MRXNPFEDSA-N 359.445 3.133 0 1 FGAF O=C1CSC(=O)N1CCCCCCNC[C@@H]1CCc2ccccc2O1 73275093 JEYDUKMDTXVGDL-INIZCTEOSA-N 362.495 3.226 0 1 FGAF Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C 220989181 RAYDNTSRMZWXNU-UHFFFAOYSA-N 357.797 3.198 0 1 FGAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(F)cc5C4)[nH]c3c2)n1 40873924 KNHSCMMTXLGHKZ-ZDUSSCGKSA-N 361.380 3.460 0 1 FGAF Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1 96167376 SNJWPWIFXLVNEK-UHFFFAOYSA-N 371.404 3.362 0 1 FGAF Cc1ccc2c(c1)n(O)c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2=O 377825235 NWCUGFUYPSOTTF-UHFFFAOYSA-N 355.317 3.413 0 1 FGAF O=C(OCC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@@H]2CCCO2)on1 653787236 ATRRNMVKSDCRIY-QAQURRIXSA-N 362.426 3.380 0 1 FGAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587176037 ZTCKRVLANNINDR-AWEZNQCLSA-N 352.369 3.212 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)nc1OC)CC2=O 587479090 AXERHUWFIVXVJJ-MRXNPFEDSA-N 373.405 3.472 0 1 FGAF O=S(=O)(c1ncccc1-c1nc2c(F)c(F)ccc2[nH]1)C(F)(F)F 587126496 CAUVETHEIQBUEM-UHFFFAOYSA-N 363.267 3.197 0 1 FGAF CCc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582798 RCIXXDHDVIAPKU-XLIONFOSSA-N 350.374 3.391 0 1 FGAF CCc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186911 ZQDHQFVRWWGSCC-UHFFFAOYSA-N 350.163 3.187 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccnc(-c4cc(C=O)ccn4)c1)[C@@H](C2)C3=O 587436054 MURPSXHGULFGCX-KSFYIVLOSA-N 372.380 3.453 0 1 FGAF Oc1cccc([C@H](O)c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586889208 FIZGZTRTRUKJRV-NSHDSACASA-N 354.591 3.161 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Br)ccc21 587372340 PJFYOMWYBCASQB-QGZVFWFLSA-N 373.206 3.153 0 1 FGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1cccnc1 962900297 PKELSULZDZCPTF-AZUAARDMSA-N 365.408 3.317 0 1 FGAF Cc1ccc(N)c([C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962920922 NEAKRGIPQRTFSG-WMLDXEAASA-N 368.330 3.121 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3c[nH]nc3-c3cccs3)c3cccc1c32 963032916 VRNMJBKZSSNJHI-ZMZPIMSZSA-N 350.447 3.281 0 1 FGAF Cc1cccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962629877 IJVKVKJFDHIAID-RHSMWYFYSA-N 366.339 3.151 0 1 FGAF Clc1cc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)ccn1 1772605139 JLYLNWPZGONDIF-UHFFFAOYSA-N 367.844 3.034 0 1 FGAF COc1cccc(N2CCC(=O)N2CCC[C@H](O)c2ccc(F)cc2)c1 169344317 PGJJSMWEZUGAGJ-IBGZPJMESA-N 358.413 3.302 0 1 FGAF CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2CC)n(CC)c1=O 169699048 JDVGDSCVRXXLBC-ZHACJKMWSA-N 372.856 3.243 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@H]2N=O 169727058 SWDPAEPGKDAOQL-SFFUCWETSA-N 364.467 3.260 0 1 FGAF Clc1cccc(Cl)c1Cn1cnc2c(N3CCOCC3)ncnc21 1857743912 UTGNUZQVTXJYGH-UHFFFAOYSA-N 364.236 3.018 0 1 FGAF CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccn1 1341213 SVOBXEZSSBSDSJ-UHFFFAOYSA-N 369.421 3.480 0 3 FGAF COc1cc(-c2nnc3n(CC(C)C)c(=O)c4ccccc4n23)ccc1O 6781301 KAVHFYBYOUJKCC-UHFFFAOYSA-N 364.405 3.081 0 1 FGAF CC(=O)c1s/c(=N\c2ccc(OC(F)(F)F)cc2)n(CCO)c1C 102259825 XWXCRDPDFOHWSD-RGEXLXHISA-N 360.357 3.184 0 1 FGAF CNc1cc(N2CCC(CN)(c3ccc(Cl)c(Cl)c3)CC2)ncn1 103251764 MKPBZBVZBHHZGM-UHFFFAOYSA-N 366.296 3.322 0 1 FGAF O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100105908 CCCSRZLIICLVKP-ACHVPNTGSA-N 369.468 3.258 0 1 FGAF CC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1 64436703 FGBGEKHVEJJJLT-LLVKDONJSA-N 374.412 3.419 0 1 FGAF COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1 29052880 KTVRQRNAKFZKNW-UHFFFAOYSA-N 350.422 3.183 0 1 FGAF CSCOC(=O)Cc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12 29324820 HYMJGXNNQDBBDB-AWEZNQCLSA-N 351.468 3.261 0 1 FGAF COc1ccc(Sc2ccccc2N2CCN(CC(=O)O)[C@@H](C)C2)cc1 28370063 XGVHIDAKYZOTDN-HNNXBMFYSA-N 372.490 3.442 0 1 FGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@@H](O)Cc3c(cc4occc4c3C)[C@]12C 2356629695 NJHFGWBKMCKISA-YVNJGZBMSA-N 372.461 3.399 0 1 FGAF O=C1CSC(=O)N1CCCCCCNC[C@H]1CCc2ccccc2O1 73275090 JEYDUKMDTXVGDL-MRXNPFEDSA-N 362.495 3.226 0 1 FGAF O=C(O)CCCCNc1nc(-c2c(O)c3ccccc3oc2=O)cs1 84668367 MUYSNGYYCGVWKM-UHFFFAOYSA-N 360.391 3.289 0 1 FGAF COc1cc2nc(N3CCC(O)CC3)nc(NCCC(C)C)c2cc1OC 82130375 ZBDNBRHEBFLNDH-UHFFFAOYSA-N 374.485 3.066 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](OC=O)C[C@@H](C)[C@]23CCC(=O)O3)C1(C)C 238766568 CUTBIBOIOVRFHC-PGYBWPQXSA-N 366.454 3.018 0 1 FGAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377836364 KRNNUYCVFCJVMC-UHFFFAOYSA-N 371.241 3.321 0 1 FGAF Cc1cccc2c1CCN(C(=O)CNCC1(O)CCCCC1)[C@@H]2C(C)C 473110124 VDQSXSDWQNMXDH-OAQYLSRUSA-N 358.526 3.362 0 1 FGAF Cn1cnc2cc(-c3ccc([C@@]4(C)CCCNC4=O)c(O)n3)cc(Cl)c21 474610011 ZCGUCJKPIMLSFW-LJQANCHMSA-N 370.840 3.162 0 1 FGAF CCS(=O)(=O)Nc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407686 CDSFVEPWKQOPOG-LJQANCHMSA-N 374.462 3.219 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(F)cc2)N1 587729691 CTOOGYPSYDDJQF-BTDLBPIBSA-N 368.221 3.497 0 1 FGAF CC(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587561445 QZFSLKKCLNDIPM-UHFFFAOYSA-N 353.378 3.028 0 1 FGAF CCOC(=O)[C@H](c1ccccc1)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440267 FSIYXKGJEVYRHR-ZTNFWEORSA-N 352.386 3.158 0 1 FGAF Sc1nnc(SCc2nc3cncc(Br)c3[nH]2)s1 587025218 JLJWXQLKHXNJLI-UHFFFAOYSA-N 360.287 3.153 0 1 FGAF N[C@H](N=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086531 CKDMLMVMJWBZJN-SSDOTTSWSA-N 365.988 3.156 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](C(=O)O)C2 587612406 UYGZRIKWPUUZFS-ADYAMRHXSA-N 354.358 3.367 0 1 FGAF Oc1nc2cc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc2[nH]1 587039101 CBNLCNJMDFKIBK-HOTGVXAUSA-N 351.435 3.091 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382767 UVZJYPGSOWOQJM-FQEVSTJZSA-N 357.381 3.449 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383194 YUYRTMPBCJSHCH-IBGZPJMESA-N 361.344 3.279 0 1 FGAF COc1cc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)ccn1 963086560 AFNBJEFLUPWGDC-IIBYNOLFSA-N 370.424 3.358 0 1 FGAF COC(=O)c1ccc(O)cc1[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962641697 TZCOTKOJWLOREI-YUNKPMOVSA-N 371.433 3.162 0 1 FGAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c(F)c1 1772611396 VEFLETJNYXDQKM-UHFFFAOYSA-N 368.391 3.263 0 1 FGAF CC(C)(O)c1cc2cc3c(cc2o1)OC[C@@]1(O)c2ccc(O)cc2O[C@H]31 15261716 FLURXOFTUKXKQN-UYAOXDASSA-N 354.358 3.080 0 1 FGAF endogenous,in-man CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3ccccc3F)cn21 169330965 VCHOFCUXZNKQNL-AWEZNQCLSA-N 357.429 3.131 0 1 FGAF CCNC(=O)[C@@]1(C)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 206020661 CIMAHOYYONILTA-KRWDZBQOSA-N 373.280 3.137 0 3 FGAF CC(C)(C)c1cc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccn2)[nH]n1 1857611685 PZFIJXFMHNFOOH-APWZRJJASA-N 353.514 3.199 0 1 FGAF CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758424 VIBLEBJCLSSHGV-SFHVURJKSA-N 352.434 3.436 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1 3191862 YLQWWWCGCFQSDP-UHFFFAOYSA-N 368.462 3.004 0 3 FGAF CCCCn1c(=O)c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=O 103171600 AFGXTCZWIBEYSL-UHFFFAOYSA-N 370.836 3.500 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 29562091 IEGWZBGSVZFWHJ-MRXNPFEDSA-N 353.418 3.198 0 1 FGAF CC(=O)Nc1c(Br)cccc1Nc1ncnc2ccncc12 29133512 FKWNVSYZIFWUNJ-UHFFFAOYSA-N 358.199 3.489 0 1 FGAF CC(C)[C@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C)C(=O)N1 100083779 QFIUZUGIFYOZOV-MRANZJMTSA-N 358.482 3.405 0 1 FGAF O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12 63539376 BNLPAUPVSCPTDM-UHFFFAOYSA-N 373.386 3.133 0 1 FGAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61908728 GHXRYHZFQJPZIC-QGZVFWFLSA-N 372.387 3.235 0 3 FGAF CC(C)N(CC(=O)N[C@@H]1c2ccccc2OCc2ncccc21)C(C)C 27880681 XOZRXMYTIZSTJV-NRFANRHFSA-N 353.466 3.298 0 1 FGAF COC(=O)CC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 27329820 HZGMNBCMQGKHRM-UHFFFAOYSA-N 356.403 3.377 0 1 FGAF Cc1c(CC(=O)O)c2ccsc2n1Cc1ccc(S(C)(=O)=O)cc1 66098459 JSACRWFTEDWZRX-UHFFFAOYSA-N 363.460 3.090 0 1 FGAF Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 61904611 UMRIBGKTVDLHRG-IBGZPJMESA-N 372.446 3.071 0 3 FGAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3C=C12 504399399 IQLCNKFYAQMXOI-PLOVASNDSA-N 373.493 3.060 0 1 FGAF biogenic COc1c2c(cc3oc(C)cc(=O)c13)OC(C)(C)[C@@H](OC(=O)C(C)C)C2 15266977 YLXXSWJDIFLXSG-INIZCTEOSA-N 360.406 3.391 0 1 FGAF biogenic CCCCC[C@H](O)/C=C/[C@H]1[C@H]2/C(=C/CCCC(=O)O)CO[C@@H]2C[C@H]1O 35252824 QYRCPOHMWROZQI-UNTSHEPJSA-N 352.471 3.061 0 1 FGAF C[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923606 PQDLJCPCZJBEBP-JHYQVHTPSA-N 368.470 3.011 0 1 FGAF in-vitro CCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 147829066 KRUWXXYJDBZBEN-UKRRQHHQSA-N 350.422 3.022 0 1 FGAF CC1=NN2C(=O)COc3c(Br)cc(Br)cc3[C@H]2C1 95585669 BKYXVTKXQPXFKE-SNVBAGLBSA-N 374.032 3.253 0 1 FGAF COc1[nH]c(O)c(C(=O)[C@@H](C)C[C@@H](C)C(C)(Cl)Cl)c(=O)c1OC 142344149 NTZLCVPFRJTASX-JGVFFNPUSA-N 366.241 3.137 0 1 FGAF in-vivo O=c1cc(C(F)(F)F)n(C/C=C/CN2CCOCC2)c2ccc(F)cc12 96909951 VLBFOLUSDPYBRA-OWOJBTEDSA-N 370.346 3.048 0 1 FGAF CC(C)(C)c1ccccc1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96177566 CQWQQLVBUREWGV-UHFFFAOYSA-N 357.475 3.282 0 1 FGAF CC(C)[C@@H](CO)NCc1nc(CCc2ccc(F)c(F)c2)ccc1F 261128456 KQOGBMRASUNADX-LJQANCHMSA-N 352.400 3.391 0 1 FGAF 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]1OO 85674301 LTTQHIVHWORRDE-SKSNXLECSA-N 368.470 3.231 0 1 FGAF biogenic c1ccc(C[C@@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCCO5)CS2)cc1 587041188 LITXHVNAQJPWRD-CRAIPNDOSA-N 353.447 3.280 0 1 FGAF COc1cncc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc12 587029233 KNBYKFUGKXJWOZ-UHFFFAOYSA-N 353.407 3.116 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587071080 VVWPZVZYEDIINW-UHFFFAOYSA-N 362.838 3.435 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H](C(=O)O)NC[C@H]41)-c1ccccc1C2=O 587096528 LFNZYWVGDVVBNT-GXZWQRSESA-N 370.408 3.067 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(C(F)(F)F)cc21 587381556 GTAUZKLYWSVALF-KRWDZBQOSA-N 362.307 3.409 0 1 FGAF COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587435789 KJXHPXZIIAVWMI-IWIMFLECSA-N 371.433 3.211 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1c[nH]c3ccccc13)(C(=O)O)O2 587397460 VTPABGFDGUEUOZ-HXUWFJFHSA-N 350.374 3.090 0 1 FGAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775690 UBYCLEIZLRJIGW-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]c4c(C(=O)O)cccc34)c3cccc1c32 963034243 QYZRFFHYRLAKJX-BIBXISHDSA-N 361.401 3.009 0 1 FGAF COc1cccc(CCNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 1772626206 DYOILCGEGQTBTJ-UHFFFAOYSA-N 351.406 3.066 0 1 FGAF COCc1ccc(CN2CCC(CO)(Cc3ccc(OC)cc3)CC2)o1 11873746 DWWATUWVHCCYAA-UHFFFAOYSA-N 359.466 3.252 0 1 FGAF O=C(NCc1ccc(F)c(F)c1)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12443570 HLVKESWAKVMITN-KRWDZBQOSA-N 372.415 3.062 0 3 FGAF N[C@@H](C[C@@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 13604106 DWLOVDOPFJPWNE-MJGOQNOKSA-N 355.434 3.492 0 1 FGAF in-vitro N=C(N)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)O)CC3)cc2)cc1 13739725 BGOVEIBOODYIIF-NRFANRHFSA-N 350.418 3.411 0 1 FGAF C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CO2)C(F)(F)F 13910821 XNIJYFMJIVBVTM-HNNXBMFYSA-N 371.336 3.123 0 1 FGAF COc1cc(C[C@H]2NCC[C@@H]3C=C(O)C(O)=C(F)[C@@H]32)cc(OC)c1OC 169305882 ZSESSFIOOIMOHZ-HSMVNMDESA-N 365.401 3.044 0 1 FGAF COC(=O)/C=C1/CN2[C@H]3CC[C@@H]2[C@@H]1[C@@H](c1ccc(Br)cc1)C3 169357699 ZMKPUZMPYBNAFS-MPDIQHBBSA-N 362.267 3.499 0 1 FGAF O=C(Nc1ccccc1C(=O)NCCN1CCCCC1)c1ccccc1F 1857606111 CGUUKKTXIIMYEV-UHFFFAOYSA-N 369.440 3.294 0 1 FGAF COC(=O)c1c[nH]c2cc(OCCOc3ccccc3)c(Cl)cc2c1=O 1857618337 NXHMILIVQKWYQY-UHFFFAOYSA-N 373.792 3.426 0 1 FGAF Cc1ccc(OC[C@H](O)CNCC2(c3cccs3)CCOCC2)cc1 1857646692 VMYFKYLXVJPVED-QGZVFWFLSA-N 361.507 3.134 0 1 FGAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4043205 LAQDNFNEXRJMRQ-IEBWSBKVSA-N 355.438 3.354 0 1 FGAF C[C@H]1CCC[C@@H](NC(=O)CCCN2C(=O)CSc3ncccc32)[C@@H]1C 6802685 HRWMKASSJPDAMX-RRFJBIMHSA-N 361.511 3.241 0 1 FGAF C/C=C/C(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(=O)CC2 103210519 ZDMUIQFRAZGADS-SNAWJCMRSA-N 353.418 3.146 0 1 FGAF CN(C)c1cccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c1 117587522 PKHXNHCSEBPIBX-UHFFFAOYSA-N 368.481 3.264 0 1 FGAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116828628 DJPBNQLBPNZGFT-WIYYLYMNSA-N 370.456 3.413 0 1 FGAF COC(=O)c1ccc2nc3c(cc2c1)[C@@H]1CCN2C(=O)CCC[C@H](C3)[C@H]12 36382930 WQPGNQJTMIHAME-UFAGZECESA-N 350.418 3.062 0 3 FGAF COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1COc2ccccc2C1 40936126 KFWHAIAFFYRAAT-CYBMUJFWSA-N 367.380 3.414 0 1 FGAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)N(C)Cc1ccccc1 49070385 TWDATJUBDIEMDM-QFIPXVFZSA-N 350.462 3.269 0 1 FGAF COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)c(Cl)cc32)cc1 221943527 SHKIGHNHNRFYSB-KRWDZBQOSA-N 366.200 3.415 0 1 FGAF COc1cccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)c1OC 82204196 GAYNJAQSDHWGCP-GASCZTMLSA-N 372.469 3.028 0 1 FGAF c1nc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c2c3c(sc2n1)CCC3 147323029 JOKKYVICDHZJSR-HDJSIYSDSA-N 358.511 3.235 0 1 FGAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 253672940 AIMNRLCNWYRUPJ-HDICACEKSA-N 367.497 3.313 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnccc4C)ncc23)ccn1 261163490 RIIQWGQUCBUAJO-UHFFFAOYSA-N 373.420 3.353 0 1 FGAF Cc1cccnc1[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccco2)NC1=O)C(C)C 618015472 YHICRXHZOOBKGR-HLLBOEOZSA-N 355.438 3.064 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587156788 PVEJIFDNWCKSNS-XOBRGWDASA-N 353.397 3.149 0 1 FGAF O=C1C[C@@H](c2nc3ccnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587150855 UTDMKXVCEPWMPB-SNVBAGLBSA-N 362.767 3.406 0 1 FGAF CC1=C(c2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)NNC(=O)C1 587090223 NTTCPAZQDVMCSI-CYBMUJFWSA-N 362.714 3.242 0 1 FGAF CCOC(=O)c1cnc(-n2nc(-c3cccc(F)c3)cc2OCC)nc1C 587872492 YPAFPYUKERYSIC-UHFFFAOYSA-N 370.384 3.352 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3c(Cl)ncnc3[nH]2)cc1 586969997 FJDVDMXAYJIVPG-UHFFFAOYSA-N 361.858 3.229 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 586951275 VTTRVWBDGMMAMQ-UHFFFAOYSA-N 356.329 3.015 0 1 FGAF CN(C)CCOc1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587164516 VKAROTCKCROSKW-LJQANCHMSA-N 356.445 3.293 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587759778 MTRRPFRGGKUQPS-DYZYQPBXSA-N 367.262 3.474 0 1 FGAF Cc1cc(C)c2[nH]c(-c3nccnc3I)nc2c1 587186400 KWVJCOUZSBHWDL-UHFFFAOYSA-N 350.163 3.241 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587787188 LEHCCFKMFJPRQR-UHFFFAOYSA-N 364.327 3.456 0 1 FGAF CCOc1n[nH]c(-c2nc3c(C)c(Br)cnc3[nH]2)c1Cl 587064941 IPZGPGOQXFEFOJ-UHFFFAOYSA-N 356.611 3.471 0 1 FGAF O=C(c1ccccc1)N1CCc2nc(O)n3cc(-c4ccccc4)nc3c2C1 13492064 NVVJSVGOYNWJOY-UHFFFAOYSA-N 370.412 3.300 0 1 FGAF C[C@@H](N=O)c1cnc2nnn([C@H](C)c3c(F)cc4ncccc4c3F)c2n1 169694296 DRYLGEUQKOWFAZ-RKDXNWHRSA-N 369.335 3.484 0 1 FGAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccncc1)CCCC3 169686323 MXUPEBJSNJKCCA-IAGOWNOFSA-N 364.449 3.355 0 1 FGAF Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863312 FFJUDQDGCKOKOG-KUHUBIRLSA-N 356.447 3.068 0 1 FGAF CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)C2=NO[C@@H]3CCC[C@H]1[C@H]23 6040357 ATHDZOJILXEWAN-VVLHAWIVSA-N 371.433 3.068 0 1 FGAF Nc1ncnc2c1CN(c1ccc([C@H]3CC[C@H](CCO)CC3)cc1)CCO2 101693096 LECMHICNSGWRQV-IYBDPMFKSA-N 368.481 3.114 0 1 FGAF Cc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(-c2ccccc2)n1 101550401 ICGDNCVFXSZQPO-LXKKBRGNSA-N 363.461 3.121 0 1 FGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccncc1)CCCC3 28968777 BUGJFLXBRJKUKA-QGZVFWFLSA-N 365.433 3.299 0 1 FGAF COc1cc(-c2c(C)noc2C)cc2c1NC(=O)[C@@]2(O)c1ccccc1 219475859 POGMONAOOKLRFD-HXUWFJFHSA-N 350.374 3.155 0 1 FGAF CC(C)c1cc(-c2n[nH]nc2-c2ccc(S(C)(=O)=O)cc2)c(O)cc1O 1911571730 SJYMEUVEYBEKSX-UHFFFAOYSA-N 373.434 3.077 0 1 FGAF CC(C)Cc1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142112168 GQBGZBAWFLWCIO-QWHCGFSZSA-N 374.445 3.212 0 1 FGAF CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1 105360377 POHNKSHNRFOJER-GRGSLBFTSA-N 370.401 3.219 0 1 FGAF biogenic Cc1nccc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586970401 ZFYZBGQXLBFPQI-UHFFFAOYSA-N 367.390 3.337 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587084865 HWFCAGNHLCZCIL-UHFFFAOYSA-N 358.810 3.079 0 1 FGAF COC(=O)/C=C(\C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810685 VPLGQWPWXKQJQV-XTFCEBELSA-N 356.235 3.457 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2n1 587142657 JQCLZYLREFYBSF-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O 587442193 HVVXIKQBGHSNKJ-HTAPYJJXSA-N 363.413 3.485 0 1 FGAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)C3CCC3)CC1)CC2=O 587478374 SCZVVUWAUBABGE-UHFFFAOYSA-N 357.450 3.471 0 1 FGAF COc1cc(C)ccc1OCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587565176 ZUOLOQALYRVQJB-UHFFFAOYSA-N 367.449 3.291 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(s1)SCC(=O)N4)[C@@H](C2)C3=O 587451965 LUQOSTVZDWWJFI-YPMLDQLKSA-N 373.455 3.464 0 1 FGAF CCOC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599120 VOIGRLJEWBEGHA-YLJYHZDGSA-N 356.374 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1c(OC)cc(OC)cc1OC)[C@@H](C2)C3=O 587445269 YENVCCGMAIDPTP-QKKBWIMNSA-N 370.401 3.384 0 1 FGAF CC(C)CCN1c2nc(Nc3ccc(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C 95911126 SXXZIEUJNXRXDY-GFCCVEGCSA-N 373.432 3.282 0 1 FGAF COc1cccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1 12026489 UIVKDWVYFSNQLJ-SFHVURJKSA-N 356.441 3.158 0 3 FGAF O=C(NCc1ccc(F)c(F)c1)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 12443568 HLVKESWAKVMITN-QGZVFWFLSA-N 372.415 3.062 0 3 FGAF Cc1noc(C)c1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 15063541 JBRUYZCFILJJOM-SFHVURJKSA-N 362.433 3.485 0 1 FGAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@@H]1N=CN2Cc1ccc2ccccc2c1 1857545246 XZEKVKMBTWCCOJ-VXKWHMMOSA-N 368.440 3.149 0 1 FGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2coc3ccccc23)C(=O)O1 1857636950 PKUWFMAWUYFHHA-ZTVSIKPCSA-N 358.390 3.084 0 1 FGAF Cc1cc(-c2cnc3ccc(=N[C@H](C)c4ccc(F)cc4F)[nH]n23)n[nH]1 1857584663 SMKJDFHRUWJNRS-LLVKDONJSA-N 354.364 3.301 0 1 FGAF Cc1ccc2c(c1)CN(C)[C@@H](C(=O)N[C@H](CN1CCC(C)CC1)C(C)C)C2 1857636174 DAVKKRMODDUFMF-FGZHOGPDSA-N 371.569 3.224 0 1 FGAF O=C(O)[C@@H]1CSc2c(O)c(Cc3cccc4ccccc34)cc(=O)n21 1857760442 OFSHDEBUWNHPQC-HNNXBMFYSA-N 353.399 3.029 0 1 FGAF OCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)cc2)cc1 220721277 HVQFWAGALHROAV-QFIPXVFZSA-N 360.461 3.371 0 1 FGAF C[C@@H]1CCC[C@@H](NC(=O)CCCN2C(=O)CSc3ncccc32)[C@@H]1C 6802683 HRWMKASSJPDAMX-RBSFLKMASA-N 361.511 3.241 0 1 FGAF CCCNC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCOC2 101500816 KJXQJKGIDTXDBB-YRGRVCCFSA-N 362.495 3.335 0 1 FGAF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1C(=O)c1ccccc1 27088725 SGUMDAUVFBPSNU-YOEHRIQHSA-N 357.793 3.438 0 1 FGAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@@](C)(CCO)[C@H](O)O1 2356511175 AJDVYSWVSCNGQG-LISAXSMJSA-N 362.583 3.226 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O 2356562744 CBOMORHDRONZRN-LSTDLKDCSA-N 350.455 3.027 0 1 FGAF CSc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27872814 NNONYTLTFOMKRH-UHFFFAOYSA-N 366.425 3.380 0 1 FGAF Cc1cn(CCOc2ccc(Cl)cc2Cc2ccccc2)c(=O)[nH]c1=O 73196702 LLOFRCPXAQXXMT-UHFFFAOYSA-N 370.836 3.168 0 1 FGAF O=C1N(Cc2ccccc2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71331962 GIIGKQNSUMHKGM-QFIPXVFZSA-N 359.381 3.198 0 1 FGAF Cc1c(OCc2ccccc2)ccc2c(N3CCNCC3)cc(=O)oc12 49942724 IWLCKJITBNEFCJ-UHFFFAOYSA-N 350.418 3.090 0 1 FGAF CC1=C[C@@H]2OC(=O)C[C@H]3[C@](C)(CC(=O)O)[C@@H](C(C)(C)C(=O)O)CC[C@@]23C1 85759570 VUFVGCLZMOXWPH-SPEAJAOQSA-N 364.438 3.256 0 1 FGAF Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1 89774822 AGMWTWZTMQSDHF-UHFFFAOYSA-N 362.264 3.358 0 1 FGAF O=C(c1cnc(NCc2ccccc2)nc1-c1ccccc1)N1CCOCC1 82132855 WQXOXVMDRHIPKV-UHFFFAOYSA-N 374.444 3.228 0 1 FGAF O=C(c1ccc(F)c(F)c1)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95580527 YRMBUFSMIPFEGY-UHFFFAOYSA-N 359.307 3.394 0 1 FGAF N=C(N)NC(=O)N1Cc2c(-c3ccccc3F)ccc(F)c2C2(CC2)C1 473170759 NTVDLKUJYXRVBA-UHFFFAOYSA-N 356.376 3.082 0 1 FGAF C[C@H](NC(=O)CNC(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1 473151215 OELFAMSGMBFKJT-LBPRGKRZSA-N 366.339 3.192 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccn3)C[C@@H]1C)O2 587393032 FRTIHYWQPHKJFD-YCRPNKLZSA-N 351.450 3.218 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@H](C)Cc3ccc(OC)c(OC)c3)nc12 587927008 QQPDSTMPZKQXLR-LLVKDONJSA-N 355.394 3.108 0 1 FGAF Nc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cnn1-c1ccccc1 587875856 OILCXIISMVYRPY-UHFFFAOYSA-N 361.336 3.251 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(O)c2)N1 587772616 OOKVGSGZZOTMAE-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CC(C)COc1cc2nc([C@H](O)C(C)(C)CO)[nH]c2cc1Br 586901796 IEOKQJOYURRUDR-AWEZNQCLSA-N 371.275 3.412 0 1 FGAF CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)C1CC1 587413431 NXKCWURFJAMPKH-INIZCTEOSA-N 357.435 3.256 0 1 FGAF FC(F)(F)c1nn(CCc2nc3cccnc3[nH]2)cc1Br 587118981 STUCXFMPLLSAGM-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1CN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436395 PRKRCUCNIYFVFO-KTFDLBGLSA-N 371.433 3.211 0 1 FGAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1Cc1cccnc1 587393058 YOJPFRBNFDGTIP-NRFANRHFSA-N 363.417 3.013 0 1 FGAF O=C1C[C@@H](Cc2nc3ccnc(O)c3[nH]2)c2c(Br)cccc2O1 587004504 VGSBSEJILMMZAN-MRVPVSSYSA-N 374.194 3.061 0 1 FGAF CC[C@]1(c2ncnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345138 YLJXOPOKROPIBT-XLIONFOSSA-N 367.380 3.324 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CO)c2)N1 587829773 YAILZIAAJZWQMV-HUTHGQBESA-N 366.230 3.410 0 1 FGAF Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587088446 WPKSREKVWFBRAU-UHFFFAOYSA-N 364.665 3.305 0 1 FGAF O=c1cc(Cl)[nH]cc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 223046210 NYZLCRXGCOBGNB-UHFFFAOYSA-N 367.641 3.277 0 1 FGAF c1ccc2c(c1)C[C@@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 5162693 DHYRQVXQZAGWKI-SFHVURJKSA-N 350.462 3.310 0 1 FGAF in-vitro O=C(O[C@H]1CN2CCC1CC2)[C@](O)(/C=C/c1ccccc1)c1ccccc1 5954579 ZNJFSXPVEZDYHT-QKZQKSPISA-N 363.457 3.225 0 1 FGAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccc(F)cc2)cc1 169693068 ZGOWFDNGFMMSOX-QZTJIDSGSA-N 370.380 3.419 0 1 FGAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC[C@@H](c2cnc[nH]2)C1 201775889 UBQDXJDAINPPJL-MRXNPFEDSA-N 368.462 3.040 0 1 FGAF CCOc1ccc(N=c2[nH]c3nonc3nc2Nc2ccccc2F)cc1 1857568037 FYYYHJVPRILCKQ-UHFFFAOYSA-N 366.356 3.460 0 1 FGAF COc1ccc([C@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC 29308568 YXLADDLCAWAQGT-NQIIRXRSSA-N 358.458 3.355 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@H](C2)N(CC2CCC2)CC[C@@]314 29236170 HZCJHCKFTKJLFP-WWLNLUSPSA-N 353.462 3.104 0 1 FGAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2sc(-c3ccccc3)nc2C)C1 61895329 DBFNFXUZQZZIFH-FQEVSTJZSA-N 371.506 3.497 0 3 FGAF CC1(C)C(=O)[C@H](O)C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@@]2(C)CC(=O)C[C@]12C 2356618794 IFGHJNUABITDAU-PSFQPUAUSA-N 358.478 3.263 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)NC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356699525 WUJHORJLMJSWRX-ZWRCPRFYSA-N 361.482 3.500 0 1 FGAF C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)ccc1c2=O 61921284 ZPHQAJLDVIUUCH-NSHDSACASA-N 359.360 3.482 0 3 FGAF C[C@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)c1cccc(F)c1 61907390 FXQKHCMKMMCLOU-LJQANCHMSA-N 360.816 3.400 0 3 FGAF C[C@@]1(C(=O)Nc2ccccc2Br)CCN1C(=O)CC1CC1 61903332 ATUPBRNPFAQYDS-INIZCTEOSA-N 351.244 3.179 0 3 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOC(C)(C)C3)c2c1 73163276 LUJULOUNMDOJPG-UHFFFAOYSA-N 354.454 3.347 0 1 FGAF CNC(=O)Nc1snc(S[C@@H]2CCCc3ccccc32)c1C(N)=O 36349002 LHKRNWZSFJYSNE-LLVKDONJSA-N 362.480 3.163 0 1 FGAF CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 40566053 MJWAQGWWWAVZBT-HNNXBMFYSA-N 367.405 3.430 0 1 FGAF Cn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)c(Cl)c3)[nH]c12 143346386 RDRXNLIVEYXAJO-UHFFFAOYSA-N 360.204 3.397 0 1 FGAF COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CC[C@H](O)C3 147585072 KPDNBSPGTLSCPM-LBPRGKRZSA-N 358.415 3.124 0 1 FGAF COc1ccc([C@@H](CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1 95579586 CLMUVLSJCURYDE-HXUWFJFHSA-N 369.465 3.044 0 1 FGAF O=C1NC(=O)C2(CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)N1 618009533 FAJHBJAQTKJFDJ-UHFFFAOYSA-N 360.417 3.013 0 1 FGAF CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2O)CC1 473102975 MRCKZBPFOLSZEF-UHFFFAOYSA-N 356.397 3.308 0 1 FGAF CC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cc2)C1=O 653783615 BZTOMIXEKSHYGP-UHFFFAOYSA-N 366.417 3.153 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)c(OC)c1O)[C@@H](C2)C3=O 587441631 GHWSIKRPPKMBQG-HXPMCKFVSA-N 356.374 3.215 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587784072 DXSSOHPZLAVKFR-KGLIPLIRSA-N 350.374 3.278 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(C(=O)O)c3[nH]2)cs1 587014203 MJSNGAVSXGUAQP-UHFFFAOYSA-N 374.422 3.409 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587786845 RVRSJNQBXVTMGH-MNOVXSKESA-N 362.311 3.315 0 1 FGAF CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cc3c(O)nc(O)nc3nc1-2 587553142 FSLRFWMXTWOJKJ-UHFFFAOYSA-N 366.377 3.354 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccccc2)N1 587829901 YTBLDQLOBMEBIH-GTNSWQLSSA-N 350.231 3.358 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cccc(C(F)(F)F)c21 587384302 ZZIIVGGLCVAFKT-KRWDZBQOSA-N 362.307 3.409 0 1 FGAF COC(=O)[C@@H](C)[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397818 BQBMNNFKJBLNHC-SZNDQCEHSA-N 353.418 3.333 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587162454 CNBCKJDNBWFXEB-KRWDZBQOSA-N 361.442 3.147 0 1 FGAF O=C1C[C@@](Cc2ccc(O)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587533643 SCRMWEIFLJLHBZ-NRFANRHFSA-N 352.386 3.302 0 1 FGAF COc1cc2c(cc1OC)C[C@@H]1c3cc(OC)c(OC)cc3CCN1CC2 5836240 FDWCQJQXTYABFS-GOSISDBHSA-N 369.461 3.419 0 1 FGAF Cc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@@H]3c2ccccc2)cc1 1857582310 VMYRFKADLBRGRC-QGZVFWFLSA-N 354.431 3.343 0 1 FGAF OC[C@H](NCCc1ccccc1Cl)c1ccc(O)c2nc(O)ccc12 1857765972 XHJFMDDSIWQWBB-INIZCTEOSA-N 358.825 3.165 0 1 FGAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356328381 UEQFUKYSYIDACR-ITNCUTESSA-N 358.434 3.359 0 1 FGAF CN(C(=O)Cc1ccccc1)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 2244148 PGZRDDYTKFZSFR-JAXLGGSGSA-N 356.510 3.254 0 1 FGAF CC(=O)c1cccc2c1[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 3823984 KIMBEMGTTFRRCW-ZWKOTPCHSA-N 357.381 3.031 0 1 FGAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCO 4213713 VMEPBGXVOFNXMR-MOPGFXCFSA-N 362.470 3.208 0 1 FGAF Cc1ccc(S(=O)(=O)NNC(=S)Nc2cccc3ccccc23)cc1 6487506 WCUOSCDSCTYESZ-UHFFFAOYSA-N 371.487 3.328 0 1 FGAF CC1=CC=CN2C(=O)[C@@](Cc3ccccc3)(NC(=O)c3ccccc3)N=C12 6806668 PPYKLAUKKXZMRT-JOCHJYFZSA-N 357.413 3.070 0 1 FGAF CCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 8474057 KXHMNCKBXCICMY-QUCCMNQESA-N 359.429 3.164 0 1 FGAF biogenic O=C1CN2CCC[C@H]2C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F 103293982 KVLOLWBSRBURSY-AWEZNQCLSA-N 366.820 3.138 0 1 FGAF O=C(CSc1cnc2ccccc2n1)NC(=O)Nc1ccccc1F 27544306 QCLPLEDAAWYHCX-UHFFFAOYSA-N 356.382 3.209 0 1 FGAF CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)C 29568154 ZKVZKWOGOGIJJU-SFHVURJKSA-N 359.470 3.376 0 1 FGAF Cc1cc(=O)[nH]c(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 33504946 QLZHBMLOHXQQBE-ZDUSSCGKSA-N 356.234 3.164 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@H](C)NC4=O)c2nc1NCC(F)F 222236430 MDXOTNRTTAMQJG-QMMMGPOBSA-N 357.364 3.415 0 1 FGAF Oc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169011 PIFYWIKKBBHSIZ-UHFFFAOYSA-N 355.438 3.124 0 1 FGAF CN1CCN(CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 95575504 GLMZYNYKBGRFJQ-UHFFFAOYSA-N 364.902 3.040 0 1 FGAF Cc1ncsc1[C@H](NC(=O)OCCCCO[N+](=O)[O-])c1ccccc1 95554778 PLDABMFGBVSTPE-CQSZACIVSA-N 365.411 3.256 0 1 FGAF CC(C)[C@H]1c2c(F)cccc2CCN1C(=O)CNCC1(O)CCCCC1 473110914 XTELEEOYKMXYNQ-FQEVSTJZSA-N 362.489 3.192 0 1 FGAF C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2N1 653857962 ORMYMARBHUUXAQ-IUODEOHRSA-N 351.406 3.083 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ncnn23)N1 587798390 VMCKNBBXSZNPOZ-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF Nc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1CC(=O)O 587249346 INLHFJIKQSUFKN-UHFFFAOYSA-N 364.174 3.341 0 1 FGAF CC[C@@H]1OC=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587830027 DIAWEZYROLGJII-IJQVFZPHSA-N 354.219 3.209 0 1 FGAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCCC1 587567801 AEDOWDLNNJXVJT-MSOLQXFVSA-N 367.401 3.029 0 1 FGAF O=C(c1csc(Cl)n1)c1c(CO)oc2cc(Br)cnc12 587276148 KWXPBZPZALERCO-UHFFFAOYSA-N 373.615 3.424 0 1 FGAF COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@@H](O)CNC(C)(C)C)c1 1772598090 UDYKVELAKYBFEK-AWEZNQCLSA-N 367.486 3.060 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc12 1772588505 ZAUGNPXUHCZFDH-DOTOQJQBSA-N 367.409 3.008 0 1 FGAF O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1ccc(Cl)cc1 12479138 PDGSHSTWYYONQQ-SFHVURJKSA-N 365.882 3.113 0 3 FGAF NC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 13680229 TWCYUPDQSZQMLM-UHFFFAOYSA-N 362.389 3.404 0 1 FGAF in-vivo OCCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21 13684176 SYCWRTUPLPDKDX-UHFFFAOYSA-N 359.433 3.290 0 1 FGAF in-vitro COc1cc2[nH]cc(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c2cc1OC 13737517 BVCGQEYSJSJEPY-HNAYVOBHSA-N 369.446 3.167 0 1 FGAF OC[C@H]1O[C@@H](/C=C\c2ccccc2)C=C[C@@H]1Oc1ccc2c(c1)OCO2 13783160 XABUZAPEWOEFMZ-VGHCBRRYSA-N 352.386 3.192 0 1 FGAF O=C(O)CCNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1 13798407 VARMECGVIFSQCS-UHFFFAOYSA-N 366.508 3.100 0 1 FGAF C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 15267003 GLVOOJKVWKZSGR-CXSQMQJXSA-N 358.390 3.399 0 1 FGAF biogenic,in-vitro Cc1nc([C@@H]2C[C@@H]2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205280994 WSTOKKIZKSOHJV-KGLIPLIRSA-N 363.400 3.269 0 1 FGAF CN(C)c1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857773228 SNPLKEONNZRIMM-UHFFFAOYSA-N 373.359 3.364 0 1 FGAF CC1=C[C@H](O)[C@H](O)C=CC=CC=CC=CC=C[C@@H](C)CNC(=O)C=CC=C1 2356326049 UCCPCDUFJCGUEI-VSKRKVRLSA-N 367.489 3.314 0 1 FGAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@](O)(OC(C)=O)C1)[C@H]32 2356439117 FKGZSHKJEFLYLN-ACRUOGEOSA-N 352.434 3.076 0 1 FGAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055626 WBWHDQWXIYXOTA-DOTOQJQBSA-N 362.813 3.178 0 1 FGAF CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1 4964964 HWOIELWOPXIQAW-INIZCTEOSA-N 372.494 3.189 0 3 FGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)Oc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645093 RLATZNIHDCUZGM-RSPOEFSDSA-N 365.429 3.300 0 1 FGAF CCN1C(=S)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C 8323036 LPKJEWSTAMKGEX-CYBMUJFWSA-N 358.385 3.404 0 1 FGAF CCC=CC[C@H](O)[C@@H](O)[C@H](O)C=CCC=CCC=CCCCC(=O)O 2356307215 PKEIAUUUFLFOHM-NLWGTHIKSA-N 352.471 3.129 0 1 FGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccccc1 118613855 JMRVJHACGJMVJK-IRXDYDNUSA-N 361.380 3.094 0 1 FGAF O=C(O)[C@H]1C[C@H](C2=CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 34009021 RAVZUVXRDCISNO-DOTOQJQBSA-N 369.808 3.061 0 1 FGAF COc1ccc(CC2=C(Cc3ccc4c(c3)OCO4)C(=O)OC2)cc1OC 15265688 MYVIUHHRKFCOPI-UHFFFAOYSA-N 368.385 3.071 0 1 FGAF biogenic C[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)NCCN1CCCCC1 299835354 DOEVDAZGHCTDDY-AWEZNQCLSA-N 360.889 3.291 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 299874513 BNDMIFGDAPNZCD-KUZCPNRJSA-N 372.490 3.363 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 299887632 ZEFAKLOGOFOCJS-XJRBWHPUSA-N 366.461 3.302 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnn1C(F)F 587871167 PEQFQHIJBMVETQ-UHFFFAOYSA-N 350.300 3.368 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H](c1ccc(Br)cc1)C3 587367134 TYQZSTWVTHJHFE-JTQLQIEISA-N 372.222 3.471 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)C2(C)C)N1 587826356 KNDAPVXFBAYZSZ-JFDMKLCPSA-N 356.235 3.448 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(C3(c4ccccc4O)CC3)nc-2[nH]1 586896658 HJCHPQCCLXGZKW-UHFFFAOYSA-N 373.416 3.408 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(OC)cc4c1=O)[C@@H](C2)C3=O 587450757 GEUFBFFSSCYGDQ-LHSJRXKWSA-N 364.353 3.299 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 586922186 RFGKSBTVLXZIMV-UHFFFAOYSA-N 372.446 3.109 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCC(N)=O)CC2=O 587472203 YTEVOIDNDUVFCB-OAQYLSRUSA-N 369.417 3.089 0 1 FGAF COC(=O)c1ccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c2c1 587437778 JXAPEKOFIPBNMZ-JLTOFOAXSA-N 363.369 3.452 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587784492 HWXYRPMKRWLGOW-HOTGVXAUSA-N 363.417 3.208 0 1 FGAF Cc1c(Br)cnc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc12 587093523 FVZXILRWFIKDER-LURJTMIESA-N 365.153 3.158 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC(C)=O)c1)[C@@H](C2)C3=O 587442749 LHWLRTOVZQGNCB-XOBRGWDASA-N 354.358 3.118 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccn4)C[C@@H]1C)[C@@H](C2)C3=O 587434590 BIECWJXXONNYNM-VELBRHGASA-N 364.445 3.118 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(=O)NC)c1)CC2=O 587471631 USGAEPXTZHCBGN-IBGZPJMESA-N 369.417 3.176 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCC(=O)O)[C@@H](C2)C3=O 587442653 RPEUMWXPXZSQNQ-VBKZILBWSA-N 354.358 3.037 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434525 ABGQFNSSYSSZLE-FIKMYACPSA-N 373.449 3.458 0 1 FGAF Fc1cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587118543 OIGXDVJMSXSWRQ-UHFFFAOYSA-N 352.251 3.016 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587785383 NXPSITVONVWFBY-LSDHHAIUSA-N 361.401 3.391 0 1 FGAF CCOC(=O)[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596917 PXBMSIMMZANEPK-BXJCWQANSA-N 356.374 3.312 0 1 FGAF CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1OCC 962902862 SYAHCRCQEBSSTF-YJBOKZPZSA-N 359.397 3.311 0 1 FGAF CC(C)([C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1)S(C)(=O)=O 962714885 UCHMTQUDLGMIHQ-LRDDRELGSA-N 357.516 3.054 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]23[C@H]4Cc5occc5[C@H](C)[C@@H]4C[C@@H](O[C@H]2O)[C@H]31 1772638041 BUSNNJKRWLHMJB-JQZLCNQQSA-N 360.450 3.258 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)OC 169692167 WNBMQMMGBBWUOZ-LTVAKMEUSA-N 366.498 3.340 0 1 FGAF CC1CCN(Cc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1 167861681 HPPWDHPRAADRRR-UHFFFAOYSA-N 351.494 3.471 0 1 FGAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1F 204413952 GISZPDGLDNNRIE-HNNXBMFYSA-N 357.351 3.408 0 1 FGAF C[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857755103 CSNKCLMUMSYGCB-IUODEOHRSA-N 358.388 3.302 0 1 FGAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1 4238439 QYNCNUPUAVWHPH-UHFFFAOYSA-N 373.416 3.283 0 1 FGAF CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c1ccccc1 6803351 OAEHHFLMKXFGAV-UHFFFAOYSA-N 374.444 3.319 0 3 FGAF C=Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1 9726151 OGVXHTAWHOAVRX-UHFFFAOYSA-N 360.454 3.421 0 3 FGAF N[C@@H](C/C(=C/CCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 29482195 OQHKCNWWRJOZCR-GTVARFKMSA-N 353.418 3.412 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29466036 UGPOMYIOAGJKAA-BSLJCIGNSA-N 355.478 3.206 0 1 FGAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@@H](C(N)=O)C[C@]4(C)[C@@H]3CC[C@]12C 26958266 DGTRXIHBJYCFOX-ODTWIBFOSA-N 373.493 3.161 0 1 FGAF OCC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CCN1C1CCCC1 22926537 PMKPTEVKXILAGY-FQEVSTJZSA-N 360.546 3.269 0 3 FGAF CC(C)N1C[C@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccco1 61920880 JZWCJWAFWXSKST-LJQANCHMSA-N 357.385 3.063 0 3 FGAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cc(=O)[nH]c(=O)[nH]2)o1 35259943 MCKAMZSBTSLCAF-UHFFFAOYSA-N 367.405 3.094 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@H](O)[C@@]3(C)CC[C@]12C3 40938481 DHTREYBHFJWBSZ-SGHKKDKCSA-N 350.499 3.294 0 1 FGAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)C1 82203995 IMRXPYAJPMDGTE-COXVUDFISA-N 359.518 3.127 0 1 FGAF CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCO 95573060 ILUALIBPDAVRMQ-UHFFFAOYSA-N 362.809 3.264 0 1 FGAF CCCCNc1cccc2c1S(=O)(=O)N[C@@H](Cc1ccccc1)CO2 96021149 WOLAOJYIUDYCPJ-INIZCTEOSA-N 360.479 3.181 0 3 FGAF COc1cc(OC)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 586912534 FVRNZQCFJCYUSP-UHFFFAOYSA-N 354.406 3.382 0 1 FGAF Cn1cc(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987000 IUBPFRPQTOZZSJ-UHFFFAOYSA-N 369.380 3.311 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCCC[C@@H]12 587591863 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1772656557 IJTRWKQLDOTHSI-UHFFFAOYSA-N 368.458 3.417 0 1 FGAF CO[C@@H]1[C@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]21 14724640 XAABSYWNTKOZII-NRSPTQNISA-N 350.370 3.144 0 1 FGAF biogenic COc1ccccc1C(=O)Nc1nc(NCc2ccccc2)c2ncnc-2[nH]1 1857596659 RAJZKTIEHVSTHQ-UHFFFAOYSA-N 374.404 3.178 0 1 FGAF O=c1cc(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)nc(O)n1O 1857652414 YPGYNOUVKUGZIK-UHFFFAOYSA-N 362.307 3.463 0 1 FGAF O=C1C[C@@H]2C[C@@H]2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857753835 KVGPSRLMTHROPM-WOSRLPQWSA-N 370.399 3.302 0 1 FGAF CC1=C(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C2(CCCCC2)OC1=O 6772450 UNDWJBNJCSAUOL-AWEZNQCLSA-N 371.433 3.211 0 1 FGAF CC(=O)OC1=CC[C@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N(C)[C@@H]1C 101974675 SZVIUNOTCASINP-BWNIDPMWSA-N 367.445 3.347 0 1 FGAF COC(=O)c1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 103538847 JLBNYYRKHIQYMG-AWEZNQCLSA-N 358.785 3.390 0 1 FGAF CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 26826954 KGDAOALFCOEYFT-UHFFFAOYSA-N 357.454 3.225 0 1 FGAF COc1ccc(-c2c(-c3cc(N)c(OC)c(OC)c3)ncn2C)cc1O 64436397 BJWUTUAGWWQLMM-UHFFFAOYSA-N 355.394 3.068 0 1 FGAF COc1c(C(C)C)cc(O)c2c1CC[C@]1(O)C3=C(CC[C@]21C)C(=O)OC3 2356691177 ZUXXDOUXNWRZDC-RTWAWAEBSA-N 358.434 3.106 0 1 FGAF O=C(COCc1ccccc1)Nc1scnc1C(=O)Nc1nccs1 28119519 VOHDFHFXKUQHGL-UHFFFAOYSA-N 374.447 3.007 0 1 FGAF c1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1 64539576 LWJMCULJBXAFKP-UHFFFAOYSA-N 372.432 3.372 0 1 FGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)ccc14)[C@@H]32 14829267 TXNBTVSTYBKLBO-ACRUOGEOSA-N 354.450 3.151 0 1 FGAF biogenic COc1[nH]c(=O)c(C(=O)[C@@H](C)Cc2ccc(C(C)(C)C)cc2)c(O)c1OC 49033027 ONZRBEUEVWXZTG-LBPRGKRZSA-N 373.449 3.457 0 1 FGAF C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N12 15953786 DQXGFJGOBJYTOJ-IFXJQAMLSA-N 359.429 3.025 0 1 FGAF biogenic CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1cc(Cl)ccc1F 40833655 DXZQWVIFSFGUPU-HNNXBMFYSA-N 360.834 3.436 0 1 FGAF COc1ccc2c(c1)CCN(C(=O)CNCC1(O)CCCCC1)[C@H]2C(C)C 43201289 HXPCYJSJQYLMEV-NRFANRHFSA-N 374.525 3.062 0 1 FGAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](OC)C[C@H]1[C@@H]2C(=O)OC 147208526 FPYWPRHZJJOPJP-BHOIVNOISA-N 368.477 3.467 0 1 FGAF C/C=C/c1ccc([C@H]2[C@@H](CNC(C)C)N(Cc3cccnc3)[C@H]2CO)cc1 95895720 DCEGAELPEOMMPR-JDXVRRIASA-N 365.521 3.442 0 1 FGAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271353 SJMQTTISZPIKBR-UHFFFAOYSA-N 367.430 3.236 0 1 FGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C[C@H]3CCC[C@H](C(=O)O)[C@@]13C)OC(=O)[C@H]2C 238744074 LTLYQGXUQKXVEU-ZLHIGMIYSA-N 362.422 3.222 0 1 FGAF COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NCCCC[C@@H]32)cc1 299850443 GHVKHSKYHFPVNY-ACRUOGEOSA-N 350.462 3.446 0 1 FGAF CC(C)c1nc(C(=O)NC2CCN(CC3CCC3)CC2)c2ccccn12 653803621 HXMRRTNLWMVUOW-UHFFFAOYSA-N 354.498 3.452 0 1 FGAF O=Cc1cnc2n1C=CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590376 ZQPYZWSRZSXXHM-LAUBAEHRSA-N 374.352 3.133 0 1 FGAF Cc1ccn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587579280 CZUVMUCZDVGZAN-YLJYHZDGSA-N 350.374 3.318 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H](C)C1CC1 587869331 GPBKLYLROAKEKA-SECBINFHSA-N 370.400 3.494 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCCCO4)C2 587246328 GKCNCMOUYMSEDC-NRFANRHFSA-N 365.433 3.076 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O 587442390 JFOMREQQLBIODW-AOMKIAJQSA-N 363.413 3.267 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cnn(CC)c1)CC2=O 587474120 BKVLMPJBTSIJRR-KUFMOJEASA-N 369.465 3.497 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]ccc2=N)N1 587748766 YIYANMARRMGOJV-FVMDXXJSSA-N 350.235 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@](CO)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420843 HUUDGOSOEVHCQC-KBXCAEBGSA-N 364.319 3.349 0 1 FGAF CC(=O)C(C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810126 BWHCYKYPMMDTDQ-VPTHRUTESA-N 356.235 3.132 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)O2 587397458 VTPABGFDGUEUOZ-FQEVSTJZSA-N 350.374 3.090 0 1 FGAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC(F)(F)C[C@H]2N 962401173 VYRHAFPPUWUCRO-SJLPKXTDSA-N 351.466 3.487 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cc(C2CC2)nn1C 961329841 ZTSOQQFGESONES-NRFANRHFSA-N 355.482 3.290 0 1 FGAF Cc1ccc2c(c1)C1=C(c3ccc(S(C)(=O)=O)cc3)C(=O)O[C@H]1CC2 13489706 KCJMUDJRPFAATN-KRWDZBQOSA-N 354.427 3.181 0 1 FGAF COc1ccc(C[C@H]2COC(=O)/C2=C\c2ccc3c(c2)OCO3)cc1OC 15119274 GVNUFBXIXQNOCF-CRNMQVKPSA-N 368.385 3.232 0 1 FGAF biogenic,in-vitro CN1O[C@](C)(CC(=O)NCc2cccc(O)c2)N=C1c1ccccc1Cl 205221690 DYOREUYMCHNVNB-LJQANCHMSA-N 373.840 3.092 0 3 FGAF Nc1ccc2oc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1 1857581455 FOIIPCLEUFNPDK-UHFFFAOYSA-N 356.813 3.026 0 1 FGAF O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1343255 DJQNCCBTNPZAOB-QGZVFWFLSA-N 359.376 3.278 0 3 FGAF COc1ccc(-c2noc(C)c2C(=O)NCCOc2ccccc2)cc1 2480584 RQRDJCQKVFZCKT-UHFFFAOYSA-N 352.390 3.467 0 1 FGAF COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](N)CC2 6483809 MOUSTTYMVHDBLZ-ZDUSSCGKSA-N 359.447 3.105 0 1 FGAF c1cc2cc(-c3ccc4cc(C5=NCCN5)[nH]c4c3)[nH]c2cc1C1=NCCN1 6535075 CIMYQJMWLWDPJV-UHFFFAOYSA-N 368.444 3.016 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100107177 SKTSGFPCNWXJJX-PMOLBWCYSA-N 353.441 3.352 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 26743769 GHQJEBVTLZPJAL-BDBAMQCISA-N 367.405 3.293 0 1 FGAF COc1cc(CNC(=O)c2cc(-c3ccc(F)cc3C)[nH]n2)cc(OC)c1 61908305 JEPTVLWWJATGBC-UHFFFAOYSA-N 369.396 3.471 0 3 FGAF COc1ccc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc1 66258556 BZCKXGKXRUOQAG-UHFFFAOYSA-N 370.405 3.066 0 1 FGAF COc1ccc([C@@H](O)[C@H](CO)CC=Cc2ccc(OC)c(OC)c2)cc1 2356758921 SHDASTAWVAKOSS-LAUBAEHRSA-N 358.434 3.458 0 1 FGAF N=C(N)c1ccc(-c2ccc(O)c(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1 34565765 CHWWQNNSQNQNEG-UHFFFAOYSA-N 370.416 3.171 0 1 FGAF COc1ccc(-c2ocnc2C(=O)NCCc2ccncc2)cc1Cl 73293969 NYYMLWAYQLILSL-UHFFFAOYSA-N 357.797 3.371 0 1 FGAF CCCc1c(Sc2cc(OC)ccc2OC)[nH]c2nc(N)nc(N)c12 40408363 JUCXEQYBGUEGFL-UHFFFAOYSA-N 359.455 3.243 0 1 FGAF COc1cc([C@@H]2CC(=O)c3ccc(OC)c(OC)c3O2)cc(O)c1OC 238756477 HOGZGTMTDOZNGP-HNNXBMFYSA-N 360.362 3.133 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]21 255251227 OCPGSVYCKLXPSO-MKYQSGPFSA-N 362.510 3.293 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1ccncn1)(c1ccccc1)[C@@H](C2)C3=O 587437108 WXTHLTUETPZDIZ-AVRDEDQJSA-N 358.397 3.371 0 1 FGAF COc1cncc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041468 CERQDSFZMCHMLA-CYBMUJFWSA-N 360.826 3.275 0 1 FGAF CC1=C(c2ccc3[nH]c(-c4ccc(Br)o4)nc3c2)NNC(=O)C1 587006818 POVKPEZMLZAKIW-UHFFFAOYSA-N 373.210 3.341 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4[nH]c(=N)sc4c1)[C@@H](C2)C3=O 587453017 OSXUHCYPHMKSPB-BUXKBTBVSA-N 352.415 3.380 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587246717 FIJLKYBTBCERTL-UHFFFAOYSA-N 352.394 3.396 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)cnc3[nH]1)C2 587247722 XZTHBSVQXARYCL-KRWDZBQOSA-N 362.355 3.328 0 1 FGAF CC(C)Oc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Br 586923392 JXEWWZWEFOBODW-SNAWJCMRSA-N 359.245 3.128 0 1 FGAF CCOC(=O)C[C@]1(COc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401181 QQJJMASVZHAQPJ-NRFANRHFSA-N 369.417 3.313 0 1 FGAF COc1cccc(CCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 587930770 KGQNBQHWJSRYRS-UHFFFAOYSA-N 362.433 3.112 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]nc3ncccc23)N1 587792204 HDGYDZXQTNFYNZ-RTHLEPHNSA-N 361.218 3.483 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]41)[C@@H](C2)C3=O 587445969 ZNHZOQSZFFFTEN-RVKPGKEFSA-N 371.433 3.068 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1OCCO1)C1CC1 587605799 BCFBYMIEZFKXLZ-NQIIRXRSSA-N 368.385 3.266 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3cc(Br)cnc3[nH]2)n1 587118542 OGOAUTZIJXXQII-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF NC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577523 KWONLWHBAXDTHY-YLJYHZDGSA-N 361.353 3.194 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)cc(C=O)c1O)CC2=O 587490087 QIFIUBUFJLMHNR-SFHVURJKSA-N 354.358 3.382 0 1 FGAF CC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008072 GYBUWEWWNMWTOZ-UHFFFAOYSA-N 356.183 3.238 0 1 FGAF CCN(CC)c1nc(=Nc2ccccc2)nc(OCC(F)(F)C(F)F)[nH]1 1772648700 LNSCVAIBKXTZPJ-UHFFFAOYSA-N 373.354 3.163 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2cccc(Cl)c2)nn1 203462684 ZZFMKHDUJJBJKW-UHFFFAOYSA-N 356.813 3.390 0 3 FGAF CC[C@@]1(c2ccc(F)cc2)N=C(c2nccs2)NC(C)=C1C(=O)OC 1857553069 RKILMFUPYZBLJX-SFHVURJKSA-N 359.426 3.385 0 1 FGAF CCCN(C/C=C/I)[C@@H]1COc2ccc(O)cc2C1 13739887 HDSARMPSJMIESZ-YIALFULDSA-N 373.234 3.356 0 1 FGAF CC[C@H](O)CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356340563 SBXDKWTYHRBIPS-OTWHNJEPSA-N 352.471 3.129 0 1 FGAF Cc1cc(F)ccc1O[C@@H]1C=C[C@@H](c2ccc3c(c2)OCO3)O[C@@H]1CO 7992610 CBOKKADTZKMXAM-ILZDJORESA-N 358.365 3.299 0 1 FGAF CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[nH]n2c1=O 103836081 GRDRERPPJMKBRM-UHFFFAOYSA-N 359.813 3.065 0 3 FGAF CC(C)(C)OC(=O)N1[C@H]2CCC[C@]23O[C@@H]1c1cc2c(cc1C3=O)OCO2 103132135 ZWQNJNZGIAJSHJ-GMBSWORKSA-N 359.378 3.169 0 1 FGAF CC(C)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 59284356 IHTJFPCDFANILV-UHFFFAOYSA-N 362.779 3.299 0 1 FGAF CCCCS(=O)(=O)/C=C\[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1S(=O)(=O)CCCC 108544616 JXCBAZUXWWKMNG-JZBDOOPOSA-N 360.541 3.121 0 1 FGAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289024 OJMOXBLFTBFMEQ-DXIQSLLYSA-N 372.509 3.042 0 1 FGAF COc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2CCCc1ccccc1 28016860 QOJGZFVMKGQBFP-UHFFFAOYSA-N 350.374 3.077 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 28863968 UFBRQERFYMHTLN-MLHJIOFPSA-N 361.438 3.462 0 1 FGAF CC1=C[C@H](O)C[C@](C)(O)CC=C[C@H](C(C)C)CC[C@@](C)(O)[C@H](O)CC1 2356455280 NANZSPCGNXRSPO-WRTQPQOASA-N 354.531 3.339 0 1 FGAF CC[C@@]1(C)C(=O)C[C@@H](c2c(O)c(C)c(C)oc2=O)c2c1oc(C)c(C)c2=O 2356579945 IQOQYVAMVLWEDE-ASSNKEHSSA-N 372.417 3.305 0 1 FGAF CCCCCC=CC[C@H]1[C@H](C=C[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O 2356708508 RZCPXIZGLPAGEV-FKSLSLAPSA-N 354.487 3.043 0 1 FGAF CC[C@H](C)[C@H](NC(=O)C=CC=CC=CC=CC1=CN(C)CN1C)C(C)=O 2356823915 GQBNCARFPBZUBK-UWJYYQICSA-N 357.498 3.007 0 1 FGAF Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](CO)Cc3cccs3)cc2)n1 77392964 GWFRMVHLAJUTGO-INIZCTEOSA-N 369.490 3.132 0 1 FGAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)cc2)cn1 49072482 QQMHKRBBNSTPEB-UHFFFAOYSA-N 365.414 3.210 0 1 FGAF CC(C)Oc1cc(N2CCO[C@H](C)C2)nc2c(-c3cc[nH]n3)nccc12 1911575293 KPLXVXUXEGJFFZ-CYBMUJFWSA-N 353.426 3.032 0 1 FGAF COCCCNC(=O)c1cnc(NCC2CC2)nc1-c1cccc(C)c1 82145144 UQFPXUCPKILBPJ-UHFFFAOYSA-N 354.454 3.040 0 1 FGAF O=C(N[C@H](CO)CSCc1ccccc1)c1coc(-c2cccs2)n1 82084515 UHNJQCVDNZNQRM-CQSZACIVSA-N 374.487 3.427 0 1 FGAF O=c1[nH]c([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3ccncc3)cc12 95586406 NKKOAZFGRRTXCV-VQTJNVASSA-N 368.440 3.456 0 1 FGAF CN(C)C(=O)CNCC(F)(F)c1cccc(OCCCC(F)(F)F)c1 148811192 WTWQPFYYFFQRKN-UHFFFAOYSA-N 368.346 3.178 0 1 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccco2)cc1 95586053 DDMOWRSFJRYDDC-KRWDZBQOSA-N 356.378 3.002 0 1 FGAF Clc1ccc([C@H](CCN2CCOCC2)N2CCOCC2)cc1Cl 299822373 QIIDHPUHHXZNJR-KRWDZBQOSA-N 359.297 3.089 0 1 FGAF CCN(c1ccc(-c2csc([C@@H]3CCOC3)n2)cc1)S(C)(=O)=O 587922955 IWDKPGWWCVWNNE-CYBMUJFWSA-N 352.481 3.100 0 1 FGAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccccc2[nH]1 587001653 FKJACWDKAUOOBC-UHFFFAOYSA-N 372.222 3.294 0 1 FGAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587071286 ZJDJZNIVNRKXJT-SECBINFHSA-N 355.751 3.262 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCCCCC(=O)O)cc1 587560038 USVJUEBSFGRKTF-UHFFFAOYSA-N 369.377 3.045 0 1 FGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(=N)N)ccc2[nH]1 587147825 SKCSSPFJNPPSKC-UHFFFAOYSA-N 352.348 3.193 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2N1 587126163 WJUATZKHPIHNFL-KRTXAFLBSA-N 365.315 3.432 0 1 FGAF COC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774767 XPVWOVQLZFCLIW-GTNSWQLSSA-N 365.246 3.407 0 1 FGAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2n1 587019232 IKXHNCZOGXRVCA-UHFFFAOYSA-N 365.418 3.272 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O 587433818 WXQFOMGZMZBTII-BSPLBBPOSA-N 367.401 3.031 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(C2CC2)N1 587760688 PXKBDNBANXNEIQ-HWPZZCPQSA-N 365.250 3.019 0 1 FGAF CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cn1 587639281 ZNILWTSNGLYXTG-UHFFFAOYSA-N 351.284 3.495 0 1 FGAF Cc1nnsc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662769 QQENOAVORXYLLR-UHFFFAOYSA-N 366.377 3.051 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@H]2CCCC[C@@H]21 587027006 OLCOEYNWJIAHTK-ILXRZTDVSA-N 367.478 3.441 0 1 FGAF O=C(O)c1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522989 GKHMISNJXRUOBY-NRFANRHFSA-N 363.369 3.076 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1N1CCOCC1)[C@@H](C2)C3=O 587423470 KLQCLHZHPVDOBP-BTYIYWSLSA-N 369.392 3.160 0 1 FGAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(S)nc(S)nc2[nH]1 587109771 UKLQBGBZBCWGAX-UHFFFAOYSA-N 372.353 3.314 0 1 FGAF CCOC(=O)[C@@H](C(C)C)[C@@]1(C(=O)OCC)NCCc2c1sc(C)c2C 963016336 YHPQNMWZSXCBKU-DNVCBOLYSA-N 367.511 3.104 0 1 FGAF CCOC(=O)c1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)o1 962641187 ZIVJZVHEJYPIOQ-KPZWWZAWSA-N 359.422 3.439 0 1 FGAF O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 627395 ZPASTVSIWVFWPZ-JKSUJKDBSA-N 370.449 3.355 0 1 FGAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)N1CCOCC1 772141 AOIVFNZFUKLXNN-PKOBYXMFSA-N 370.836 3.291 0 1 FGAF COc1cc(OC)nc(Sc2cccc(C(F)(F)F)c2C(=O)O)n1 103190228 AOBDKCMCPUXSBO-UHFFFAOYSA-N 360.313 3.362 0 1 FGAF CNC(=O)c1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621047 CWNVQGQWLLHSNN-CTNGQTDRSA-N 373.456 3.249 0 1 FGAF C[C@H](CC1=N[C@@H]2[C@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330049 JPHHGFNKNXDZSD-ZDMBXUJBSA-N 358.751 3.205 0 1 FGAF COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@H]1O 59729335 ZVEDKPGZOXEGTK-CEXWTWQISA-N 354.358 3.421 0 1 FGAF O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccc4nonc4c3)N3CCC[C@@]123 53193451 FEQCUKGJQLDWPL-ZRCAFCQKSA-N 360.417 3.165 0 1 FGAF O[C@H]1[C@H](N2CCc3[nH]c4ccccc4c3C2)c2ccccc2C12CCNCC2 23153385 VJCUCACLOQJDBF-PKTZIBPZSA-N 373.500 3.263 0 1 FGAF CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 29571011 OUJKJUKCMDABCX-SFHVURJKSA-N 359.470 3.233 0 1 FGAF CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1 115764994 LXHGMWGZQRZOTI-UHFFFAOYSA-N 353.426 3.128 0 1 FGAF CN(CCOc1ccc(C[C@H](F)C(=O)O)cc1)c1nc2ccccc2o1 26182984 LLDPYGFDBRHDKB-HNNXBMFYSA-N 358.369 3.308 0 1 FGAF CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)nc(OC(C)C)c2)n1 115891728 NVAAQCSTGRBAFE-WAYWQWQTSA-N 350.806 3.203 0 1 FGAF COc1ccc2c(c1OC)OC[C@H](c1ccc(OC)c(OC)c1OC)C2 5257411 AXXBADPZGFAAHF-CYBMUJFWSA-N 360.406 3.448 0 1 FGAF biogenic C/N=c1\[nH]c2cnc(Nc3ccc(C(=O)OC)cc3)cc2n1-c1ccccc1 82081821 ITQHAWSKMIFVEB-UHFFFAOYSA-N 373.416 3.414 0 1 FGAF COCCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82184955 RXUFQMPUMKHKOL-UHFFFAOYSA-N 351.454 3.080 0 1 FGAF CC[C@@H]1C/C=C\C[C@@H](c2ccc(OC)cc2OC)NC(=O)[C@@H](C)CC(=O)N1 95663630 AELWNOGVSMDSML-MUHHVYJWSA-N 374.481 3.132 0 1 FGAF CC[C@@]12CCN[C@@H]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@H]32 238746252 CRQDDRSQYNCCIV-YINASFRRSA-N 370.493 3.336 0 1 FGAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2cccc(Cl)c2)cs1 96916356 QFEKQEKBWZPRSC-SNVBAGLBSA-N 367.839 3.144 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(C(C)C)n3)C2)cc1 261134866 LVDQDWQSHTVNGJ-HNAYVOBHSA-N 368.481 3.455 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)c(F)c1)O2 587384784 ISWXZQIIMGZHLI-NRFANRHFSA-N 370.424 3.434 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1 586940598 AXEKHECWJHFPBV-VOTSOKGWSA-N 363.389 3.240 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@H]1CCS(=O)(=O)C1 587867452 ZSKWPRQUHDYULY-ZDUSSCGKSA-N 374.384 3.327 0 1 FGAF COC(=O)[C@@H]1CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587397832 BVGIZPAFWKAFQI-HRAATJIYSA-N 351.402 3.173 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccnn3c2)N1 587796841 QTYPIJDCXYMDQW-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF Clc1nccnc1N1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 587085185 OXFWJENRARFHTH-UHFFFAOYSA-N 353.817 3.267 0 1 FGAF CCOc1cc(C(C)=O)c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1 587946792 XEVZBSZECIYVDM-UHFFFAOYSA-N 358.373 3.402 0 1 FGAF CC1(C)COC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357367 NHSCUOATAJPPLW-JXFKEZNVSA-N 356.349 3.212 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(O)nc(O)n1 587859795 JCCRANQFACYVGB-UHFFFAOYSA-N 367.192 3.446 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(Cl)cc4)n1)[C@@H](C2)C3=O 587421135 KHTHKNNZIYCUPK-IFXJQAMLSA-N 367.792 3.418 0 1 FGAF Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 150195845 YXMBEECTJRWXGW-GOSISDBHSA-N 362.433 3.298 0 1 FGAF O=C1O[C@@H](c2ccccc2Cl)CN1c1cccc(N2CCNCC2)c1 169347326 ZQDZOAYNWRSFDS-GOSISDBHSA-N 357.841 3.448 0 1 FGAF CC[C@H](O)/C=C/C=C\C[C@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O 169622085 KOYKAOBHYIJNTF-PZVULKBYSA-N 352.471 3.129 0 1 FGAF CCOc1ccc(C(C)=O)cc1Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 1857762412 RQTBYFUCRQFPAU-UHFFFAOYSA-N 374.462 3.354 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051573 BNDMIFGDAPNZCD-UHEFJODHSA-N 372.490 3.363 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356371631 NCTRVSNQAKOTOR-DZFIUHNSSA-N 353.466 3.124 0 1 FGAF COC(=O)c1nnc(C(=O)N(C)Cc2ccccc2)c2[nH]c3ccccc3c12 8860396 LFMJGVFNUYRMHC-UHFFFAOYSA-N 374.400 3.170 0 1 FGAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=O)N23)cc1 27520107 HYJGBNBJWNPYLA-MJGOQNOKSA-N 361.401 3.085 0 1 FGAF O=C1c2ccccc2[C@](O)(c2ccc3[nH]cnc3c2)N1Cc1ccccc1 116256163 QHAZYBSNQRTYDK-JOCHJYFZSA-N 355.397 3.412 0 1 FGAF COc1cc(C(=O)c2cc(-c3ccccc3)ncn2)cc(OC)c1OC 72118239 WORHRNDUVHXVIQ-UHFFFAOYSA-N 350.374 3.400 0 1 FGAF CS(=O)(=O)c1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)n2)cc1 73139844 PULKNPVEXMDFCY-UHFFFAOYSA-N 365.414 3.401 0 1 FGAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCC2)cc1 71318812 YWERFVJBBJKACW-UHFFFAOYSA-N 360.417 3.289 0 1 FGAF COc1ccc2c(c1)C[C@H](C)N2C(=O)c1cc(OC)c(OC)c(OC)c1 40395107 SSJRNAMTNQXJMP-LBPRGKRZSA-N 357.406 3.312 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587151075 PVLPXBFXABLEQH-XBXARRHUSA-N 363.389 3.262 0 1 FGAF COC(=O)[C@@H]1C[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587806097 JCYIATUBRFBWIK-HSOHIQCKSA-N 368.246 3.457 0 1 FGAF CCOC(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587777366 IZIDXOVCDUSGNW-UHFFFAOYSA-N 351.122 3.450 0 1 FGAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(Cl)ccc1Cl 587369094 UOLNYFUIYOVHOT-UHFFFAOYSA-N 366.160 3.037 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(O)cc4[nH]3)cc12 587039011 WZBWTAANCALGHT-VIFPVBQESA-N 355.423 3.016 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C3CC3)C(=O)C2)N1 587772266 ZHBVAFOUWQJRRW-DYZYQPBXSA-N 367.262 3.103 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587785382 NXPSITVONVWFBY-HUUCEWRRSA-N 361.401 3.391 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cnccc41)[C@@H](C2)C3=O 587435937 KPHGGGSKUIRPHG-FDDCHVKYSA-N 369.376 3.326 0 1 FGAF CC(C)(SCC(=O)O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586958056 CTPCTISYASNFNL-UHFFFAOYSA-N 373.228 3.077 0 1 FGAF CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)NCCc2c1sc(C)c2C 963023169 LIBJWOQDTRGIDG-DNVCBOLYSA-N 367.511 3.248 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCN3CCC[C@H]32)N1 963188992 UYWJAQVQUXQDHJ-MKBNYLNASA-N 374.790 3.021 0 1 FGAF COc1nc(C)c([C@]2(C)NCCc3ccc(O)cc32)cc1Br 963352162 JZXYWFXILNBFKV-KRWDZBQOSA-N 363.255 3.276 0 1 FGAF Cc1ccc(C2=C(c3nn[nH]n3)C(=O)N[C@](C)(c3ccc(C)cc3)C2)cc1 1772613867 DIJUYHBIXUHDIO-NRFANRHFSA-N 359.433 3.163 0 1 FGAF Cn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccc(Cl)cc21 5008496 JTJVBDMMPSATDA-UHFFFAOYSA-N 350.871 3.297 0 1 FGAF Cc1cccc(C[C@H](C)NC(=O)CCc2nnc(-c3ccccc3)o2)n1 12320837 UHLKOTOBWXQYGH-HNNXBMFYSA-N 350.422 3.120 0 3 FGAF COc1ccc([C@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)c(OC)c1 103282658 DVRJAILEZOMINM-ICSRJNTNSA-N 355.434 3.176 0 1 FGAF CSc1c(Cl)nc(N2CCN(C)CC2)nc1NC1CCCCC1 28771736 XLUOBEUWBRYZAQ-UHFFFAOYSA-N 355.939 3.348 0 1 FGAF COC(OC)C1=CN([C@@H](Cc2ccccc2)C(=O)O)C=C2[C]1CC[C@@H]2C 2356829808 OXANEYNHWRLBBF-LIRRHRJNSA-N 356.442 3.389 0 1 FGAF CN1O[C@@](C)(CC(=O)NCCc2ccccc2)N=C1c1cccc(Cl)c1 74373568 GRZSWBLWVKNXGR-FQEVSTJZSA-N 371.868 3.429 0 3 FGAF O=C1C[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)c2ccccc2N1 32517949 RNBNDNMNPFMACV-AWEZNQCLSA-N 365.418 3.410 0 1 FGAF COCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 139347712 MJTAJVGJXSRXNS-UHFFFAOYSA-N 364.405 3.389 0 1 FGAF COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1 49111116 ZCRCTVHOBQJBNB-QGZVFWFLSA-N 350.466 3.234 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCCCC2)co1 82073130 KRVORGRUWXQSSD-GOSISDBHSA-N 367.449 3.267 0 1 FGAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C 146718714 JJAGIHLMZAAAQP-NRFANRHFSA-N 371.408 3.273 0 1 FGAF CN1[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1C[C@H]2OC(=O)c1ccccc1 238759451 JRPXXGFURWDPJS-YSTOQKLRSA-N 365.429 3.304 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 261130695 LBHLXRSCRQWUHK-YXTQBTIXSA-N 366.461 3.332 0 1 FGAF C[C@]12C3=CCC[C@@H]1O[C@@](C)([C@@H]1C[C@H](c4ccoc4)OC1=O)C[C@@H]2OC3=O 85950952 JJVFOXGGNFRVFV-VMAJNDQLSA-N 358.390 3.083 0 1 FGAF biogenic COc1ccc2c(c1OC)Oc1c3c(cc4ccnc(c14)[C@@H]2O)OCO3 36463518 NNOMRFJKIIXQII-OAHLLOKOSA-N 353.330 3.168 0 1 FGAF biogenic COCCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2ccccc21 653794496 HYBPXHKMNXDOJT-UHFFFAOYSA-N 352.390 3.118 0 1 FGAF CC(=O)c1ccc(N2CCN(C(=O)c3nc4ccccc4s3)CC2)cc1 653852800 FCBIKZACGNRLPV-UHFFFAOYSA-N 365.458 3.461 0 1 FGAF COc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(OC)c1C 587787051 JVCOTKMFIOGNAC-UHFFFAOYSA-N 355.438 3.496 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1nccn1C)(c1ccccc1)[C@@H](C2)C3=O 587431590 PGFDNNVZOJTQKC-JTSKRJEESA-N 360.413 3.314 0 1 FGAF Brc1cc(/C=C\c2nc3ncc[nH]c-3n2)cc2c1OCCO2 587002520 VVATVCCHVVUSFU-UPHRSURJSA-N 359.183 3.009 0 1 FGAF C[C@]1(c2cc[nH]c(=N)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340231 VJMXUXHEMSLJKJ-YLJYHZDGSA-N 365.364 3.008 0 1 FGAF COC(=O)[C@@H]1[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594863 PNMVLELXODYUAO-FYAMFWTDSA-N 368.385 3.312 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587230889 JNJINWNIAUZHJP-ZJUUUORDSA-N 371.268 3.301 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)cncc2[nH]1 587038468 IUNNAXAUQOWSLT-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF O=S(=O)(O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951065 RGAWIPUFUGODNO-UHFFFAOYSA-N 362.451 3.295 0 1 FGAF COC(=O)[C@@H]1CC(OC)=C[C@@]12c1ccsc1CCN2Cc1ccco1 962703319 GCYQGWQEDFBYKZ-QFBILLFUSA-N 359.447 3.318 0 1 FGAF F[C@H]1COCC[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961778 WBVVBKFHOFFPGM-WMLDXEAASA-N 359.363 3.311 0 1 FGAF CC1(C)CCN(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 1772582108 OKCGIZHMYQENHC-UHFFFAOYSA-N 362.451 3.343 0 1 FGAF Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2csnn2)c1 14963732 FCSVBXFUWJCBGV-HNNXBMFYSA-N 353.451 3.148 0 3 FGAF COCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 14966835 YEDVUUAGCVKYCJ-ZDUSSCGKSA-N 372.284 3.317 0 1 FGAF CC1(C)CC(=O)[C@@H]2C(=Nc3[nH]c(S)nc(=O)c3[C@H]2c2ccccc2)C1 18255937 SQFPTTKYEMJDTN-KBPBESRZSA-N 353.447 3.282 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1C1CC1 169303767 ZAERTEXABXCRSA-HXUWFJFHSA-N 350.418 3.367 0 3 FGAF Cc1nc(N2CCc3nc(COc4ccccc4)cn3C2=O)ccc1F 203783584 BIHGUMLBLNOKCA-UHFFFAOYSA-N 352.369 3.335 0 1 FGAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCOc2ncccc21 205621945 OHZAAOPIQYFLOW-LLVKDONJSA-N 370.302 3.302 0 1 FGAF Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2nn[nH]n2)cc1 1857636427 WPZKIANNTVLGHD-UHFFFAOYSA-N 358.199 3.190 0 1 FGAF O=C(N=c1[nH][nH]c2ncc(-c3ccc(CO)cc3)cc12)C1CCCCC1 1857644026 SSGZSWOTQKSVRD-UHFFFAOYSA-N 350.422 3.058 0 1 FGAF C[C@@H](C(=O)N=c1ccn(Cc2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 1857755581 HADHHNDMEQNPDU-OAHLLOKOSA-N 366.440 3.301 0 1 FGAF Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1)C[C@H](C)O2 6797888 BDGVNAJGKYCEKY-INIZCTEOSA-N 352.434 3.206 0 3 FGAF O=C(O)c1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O 27311457 IFOPCUOESKGTRN-UHFFFAOYSA-N 358.353 3.457 0 1 FGAF COc1ccccc1N1CCN(CCCCN[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 28763481 VACNWTUDQQTSIL-XUVXKRRUSA-N 357.542 3.376 0 1 FGAF Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3F)c(CN)c(C)n2)no1 66128595 QKUNDPMYLQLBAM-UHFFFAOYSA-N 358.348 3.343 0 1 FGAF Cc1ccc(CN2CCOC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 2356301784 DXXAHADOERPPCN-HNNXBMFYSA-N 356.344 3.282 0 1 FGAF NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 28825838 KEGYADXLNNGMEW-UXBLZVDNSA-N 361.445 3.241 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)OC)O[C@H]2C[C@H]1O 2356599668 ILBOWKBQZSFVCD-XCZFOBESSA-N 364.482 3.273 0 1 FGAF COc1cc([C@H]2CC(=O)c3ccc(OC)c(OC)c3O2)cc(O)c1OC 2356756966 HOGZGTMTDOZNGP-OAHLLOKOSA-N 360.362 3.133 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)CCC1CCCC1 61902449 NOXRVXMRJWCFDI-FQEVSTJZSA-N 358.438 3.315 0 3 FGAF CC(=O)Nc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380681 GKYHNFMHUDRFJO-UHFFFAOYSA-N 370.409 3.096 0 1 FGAF COc1cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2cc1O 15149418 LFBIHCZSRPAPHS-UHFFFAOYSA-N 352.298 3.406 0 1 FGAF biogenic COC1=C[C@]2(Oc3ccc(-c4ccccc4)cc3C2=O)C(OC)=C[C@H]1O 73164804 UIKNUDQQFMPSEC-IERDGZPVSA-N 350.370 3.103 0 1 FGAF Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1 43133536 BOWYXGHFMQMXPT-UHFFFAOYSA-N 363.425 3.231 0 1 FGAF CC1(C)Oc2cc(C(=O)c3ccccn3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84687534 SZKPGUCEQASYML-RBSFLKMASA-N 353.418 3.434 0 1 FGAF CCCn1cc(-c2ccnc(N3CC(N4CCCC[C@H]4C)C3)n2)c(C)n1 82039528 IKQCRRBBJMHIGQ-OAHLLOKOSA-N 354.502 3.122 0 1 FGAF COCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 82146900 FCQYHIJUQHINGY-UHFFFAOYSA-N 368.481 3.382 0 1 FGAF CCCNC(=O)CSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261169645 SPZZQXFLVUPSCH-WOHPLNIVSA-N 369.527 3.241 0 1 FGAF COCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772714 GGOXMRHRCJRKOY-FVMDXXJSSA-N 366.234 3.148 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(O[C@H](C)C(=O)O)c1)O2 587400797 OVIOITGNQAMEEA-MPBGBICISA-N 355.390 3.310 0 1 FGAF CC(C)CCOc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br 587247589 UIIWFISFFWLSIL-INIZCTEOSA-N 368.275 3.325 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 586938920 LMQZLMRVWWMTPP-LLVKDONJSA-N 373.434 3.005 0 1 FGAF Brc1cccn2ncc(-c3nc4cc5c(cc4[nH]3)OCCO5)c12 587006865 RIMDJLXSWGPJKJ-UHFFFAOYSA-N 371.194 3.411 0 1 FGAF COC(=O)[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349576 ITUALFFPAHEIRE-LFBSBKMHSA-N 358.365 3.458 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCN1CCOCC1 587866024 BFIRTKHXNRTSQW-UHFFFAOYSA-N 369.387 3.300 0 1 FGAF CCOc1n[nH]c(-c2nc3ccc(Br)c(O)c3[nH]2)c1Cl 587065762 YUSXTLKRQLEYQA-UHFFFAOYSA-N 357.595 3.473 0 1 FGAF CCOC(=O)c1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c[nH]1 962635831 UWOBQVDVLNJEHS-KZULUSFZSA-N 358.438 3.174 0 1 FGAF [O-][n+]1cc(C(F)(F)F)ccc1-c1n[nH]c2cnc(-c3cccnc3)cc12 1772605098 XDLORELMKQVLOM-UHFFFAOYSA-N 357.295 3.339 0 1 FGAF COC(=O)c1ccccc1NC(=O)CSc1nc2cccc(C)c2[nH]1 1772633433 ZIHSDLLMPWYVGH-UHFFFAOYSA-N 355.419 3.389 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@@H](C4)[C@H]3[C@H]1C 169367597 HWXCULOUOMXWMG-VKTSVAJSSA-N 367.489 3.293 0 1 FGAF CCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 169370225 YJLVMNYHBPCQKV-FFXVNVKOSA-N 358.526 3.378 0 1 FGAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccccc12 1857584719 PQGOESXIKDYXDX-CSKARUKUSA-N 354.404 3.474 0 1 FGAF Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2OCc2ccccc2)c1 6521941 QQTQITNTDBGZGW-UHFFFAOYSA-N 368.458 3.242 0 1 FGAF C[C@@H]1CCCCN1C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 104004577 PMSPHDGHPUKYPW-OFWFEXPASA-N 356.451 3.096 0 3 FGAF COc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1 117423406 BPZSDIOZLNSESC-UHFFFAOYSA-N 360.421 3.268 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCCN2C(=O)CO 26965410 LIKBOJNXLDAXPE-JSTITMOMSA-N 363.542 3.353 0 1 FGAF COc1cc2c(c(OC)c1OC)C(=O)C[C@H](c1ccc3c(c1)OCO3)O2 14643965 HFEGSXJVQVCMQT-CYBMUJFWSA-N 358.346 3.148 0 1 FGAF biogenic C[C@@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1 72124689 FSHBEPXUOKWEBA-LLVKDONJSA-N 374.448 3.426 0 1 FGAF C[C@@H](COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)O[N+](=O)[O-] 40976569 WGTJLXQITFRCTR-KBPBESRZSA-N 357.362 3.161 0 1 FGAF CNc1ncc2c(-c3cccc(OC)c3)nn(CC3CCC(N)CC3)c2n1 84670037 JUQPSUXJSPFYGR-UHFFFAOYSA-N 366.469 3.061 0 1 FGAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3C)CC2)c1 40876166 AQGBQLJURMHFFR-UHFFFAOYSA-N 367.449 3.430 0 1 FGAF CN(C)CCn1cc(S(=O)(=O)c2ccc(Cl)s2)c2cccnc21 45320748 PDJITJJLUVVDDU-UHFFFAOYSA-N 369.899 3.146 0 1 FGAF Cn1cc(-c2cc(CCO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144918052 AXDSJUMFEBSLIK-LJQANCHMSA-N 374.362 3.401 0 1 FGAF CN(C(=O)Cc1ccccc1)[C@H]1C[C@]2(CCCO2)CC[C@@H]1N1CCCC1 96903308 PGJPPWQHDNODBR-ONTIZHBOSA-N 356.510 3.254 0 1 FGAF Cc1ccc(C(=O)Nc2cccc3cccc(S(=O)(=O)O)c23)cc1N 299832445 GNDGPCVAZDYDOA-UHFFFAOYSA-N 356.403 3.229 0 1 FGAF N=c1[nH]ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166595 WYXNXEOQPJCHTE-UHFFFAOYSA-N 364.409 3.477 0 1 FGAF O=C(O)CCN(CCc1nc2c(Cl)ccnc2[nH]1)Cc1ccccc1 587193090 AUUVZHFNXGYPNW-UHFFFAOYSA-N 358.829 3.131 0 1 FGAF CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526462 TXPRXPQFFIMGDF-YEJXKQKISA-N 374.433 3.032 0 1 FGAF O=[S@](Cc1nc2c(O)ncnc2[nH]1)C(c1ccccc1)c1ccccc1 586961323 UUIGOEMJYGBDBY-AREMUKBSSA-N 364.430 3.097 0 1 FGAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587789527 DQDSUFHGBOIEMW-VXJOIVPMSA-N 367.218 3.327 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554499 IEVZHEBKWRUVHR-UCLAIMLFSA-N 360.337 3.014 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cncc(Br)c2[nH]1 586966616 GDBAYWFZTKOVKC-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF Fc1cccc(Cn2nnc(-c3nc4c(Cl)ncnc4[nH]3)c2Cl)c1 587160887 HSMILXVIYAPYNV-UHFFFAOYSA-N 364.171 3.106 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cncc(Br)c2[nH]1 587053021 YSZGDKYUUOXCDP-SNVBAGLBSA-N 367.634 3.322 0 1 FGAF O=S(=O)(/C=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1 586924200 KZHGQNAFENLTNB-SREVYHEPSA-N 364.329 3.329 0 1 FGAF COc1cc(OC)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586967413 WLIZQICLFWHGAO-UHFFFAOYSA-N 369.406 3.317 0 1 FGAF COC(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592801 KNMOXBAPPHWJLF-XLIONFOSSA-N 356.374 3.312 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cccnc2-c2ncccc21 587396323 ZJFOBYAGRCIYNZ-NRFANRHFSA-N 357.369 3.091 0 1 FGAF COc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587771748 CNJQCORVCHVKSM-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF Cc1c(F)ccc2c1[C@@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)NCC2 962295551 DYTDLBDFRVKRHV-UTKZUKDTSA-N 360.473 3.057 0 1 FGAF Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2csnn2)cc1C 12073485 NYSCKOCHJRPZDH-HNNXBMFYSA-N 353.451 3.148 0 3 FGAF Oc1cc(N2CCN(c3ccc(F)cc3)CC2)c(O)n1-c1ccccc1 169719108 BJOIEQGOXHVTBT-UHFFFAOYSA-N 353.397 3.354 0 1 FGAF CSc1nc(NC2CC2)c2c(n1)Sc1nc3ccccc3n1N=C2 1658795 SBCSGWXRKROGFQ-UHFFFAOYSA-N 354.464 3.469 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356344541 BMAOWSPJJLOKGM-ZMMAXQRCSA-N 360.491 3.235 0 1 FGAF CC[C@@]12CCCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 3947539 CITPXCNSMZMNIW-YCZSINBZSA-N 370.493 3.432 0 1 FGAF C[C@H](NC(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F)c1ccncc1 102855063 DBDUBCKWYJFUGG-JTQLQIEISA-N 357.364 3.349 0 1 FGAF CO/C(O)=C1\C(C)=Nc2nc(S)nc(O)c2[C@@H]1c1ccc(OC)cc1 101653047 WAPUSEYRUGAAOS-PILJQMSFSA-N 359.407 3.133 0 1 FGAF C[C@@H](Cc1cccs1)NCc1c(C(=O)N2CCCC2)nc2sccn12 20455553 UORGCXLFGQMKFN-ZDUSSCGKSA-N 374.535 3.414 0 1 FGAF O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(O)c1 28648161 FCUCMIIVLCLREX-DOTOQJQBSA-N 368.433 3.345 0 1 FGAF COc1ccc(N2C(=O)[C@@H](C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 66258633 MSPAKPUUAIDJIT-VOJFVSQTSA-N 373.405 3.151 0 1 FGAF Cc1cc2c(n1S(=O)(=O)c1ccccc1)CCc1ccc(=O)sc1-2 40392779 WJDRSIZDGBXOJG-UHFFFAOYSA-N 357.456 3.221 0 1 FGAF CC[C@@H]1COCCN1c1cc(OC(C)C)c2ccnc(-c3cc[nH]n3)c2n1 1911570598 ONZBXIROSTXXKV-CQSZACIVSA-N 367.453 3.422 0 1 FGAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc12 84669447 CMSUARVIQHTJGC-LJQANCHMSA-N 360.413 3.365 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1ccccn1 222507170 NZRNMCARUJZDNV-UHFFFAOYSA-N 355.401 3.281 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2ccc(-c3cccnc3)cn12 147812374 AMUGJMMEPYZIMN-UHFFFAOYSA-N 367.412 3.349 0 1 FGAF O=C(N1CC(c2nc(-c3cccc(Cl)c3)no2)C1)N1CCC[C@H](F)C1 95572431 JYQOJKUGNOJOTB-AWEZNQCLSA-N 364.808 3.343 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2O[C@H]1[C@@H]1O[C@H]12 253638614 UHWPQNIXJFNMHO-GCOJXNPESA-N 364.482 3.466 0 1 FGAF C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(=O)O)cc1 299853773 PSZDCCBRUWSJBG-HRZVIGLNSA-N 350.418 3.020 0 1 FGAF CC(C)CN1c2cc(-n3c(O)nc4ncccc43)ccc2C(=O)NC1(C)C 653850804 FTRBZYYFOYQTAW-UHFFFAOYSA-N 365.437 3.068 0 1 FGAF COc1cc(CN2CCO[C@H](COc3cccc(F)n3)C2)ccc1Cl 653708462 KSQHKPZXRWVJSH-AWEZNQCLSA-N 366.820 3.163 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(F)cc1 587568984 GTEFXAFNDPFZQG-WIYYLYMNSA-N 366.344 3.381 0 1 FGAF CCc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc(-c2ccccn2)n1 587652371 CWCSFKSMTKRORY-UHFFFAOYSA-N 363.808 3.454 0 1 FGAF CCOC(=O)COc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399266 HZEAQKCHULLWSJ-NRFANRHFSA-N 369.417 3.400 0 1 FGAF O=C(Cc1ccccc1)NCCc1nc2cccc(Br)c2[nH]1 587228446 MCRNDZHRDLKHAN-UHFFFAOYSA-N 358.239 3.227 0 1 FGAF N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1F 587142702 LLJBSVQEBDXZOV-VIFPVBQESA-N 370.613 3.102 0 1 FGAF N=c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c[nH]1 586998980 QZSIGRREPQCQBV-UPHRSURJSA-N 359.183 3.032 0 1 FGAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)nn1-c1ccccc1F 587156772 RONRYGKMIOJYEK-UHFFFAOYSA-N 366.352 3.335 0 1 FGAF CCSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454258 XNYCQPNYTIFSGH-VLIAUNLRSA-N 367.426 3.402 0 1 FGAF NC(=O)c1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587613173 MNZKEQZCCLESFR-MAUKXSAKSA-N 367.382 3.256 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2nc(Cl)c[nH]c-2n1)C(F)(F)F 587091550 FVWPTTYIVXVQKO-CQSZACIVSA-N 371.750 3.121 0 1 FGAF Fc1cccc(F)c1[C@]1(c2ncco2)NCCc2nc3ccccn3c21 962983207 BECGUQREXXKEPM-IBGZPJMESA-N 352.344 3.038 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2([C@H](N)CC(C)C)C(F)(F)F 963612010 RRUQHWJMWMFTST-CXMBCZLWSA-N 360.420 3.369 0 1 FGAF Cc1ccc(-c2nnc(CCC(=O)NC[C@@H](C)Oc3cccnc3)o2)s1 13597010 BLOWEBNRYNTZBA-GFCCVEGCSA-N 372.450 3.018 0 3 FGAF COc1cc([S@](C)=O)ccc1-c1nc2cc(-n3ccnc3)ccc2[nH]1 13651250 RHCIOXRIGOFRMZ-RUZDIDTESA-N 352.419 3.162 0 1 FGAF O=C(N[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167171288 ZKQNYWUNHRWFPK-LJQANCHMSA-N 365.433 3.143 0 1 FGAF CCN(CC)CC[C@H]1CN(C(=O)c2cccs2)CC[C@@H]1CC(=O)O 2356443772 YMJWOQAFINRAFX-CABCVRRESA-N 352.500 3.033 0 1 FGAF Cc1nnc(Sc2cc(C(=O)N3CCOCC3)c3ccccc3n2)s1 4712507 ZFBRFVXHBNGMKF-UHFFFAOYSA-N 372.475 3.018 0 1 FGAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356328384 UEQFUKYSYIDACR-XVSRIUFKSA-N 358.434 3.359 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@@H]1C[C@@H]2C[C@@H]([C@H]1C)C2(C)C 100682678 SLKDSLAWMQSCJY-AMSCCUFHSA-N 369.527 3.134 0 1 FGAF O=c1cc(Br)c(O)c(Br)cc1Br 100181342 CVYAQNAYPPNEDZ-UHFFFAOYSA-N 358.811 3.040 0 3 FGAF CCCCOC(=O)COc1ccc(Oc2nc(OC)cc(OC)n2)cc1 103282907 SHWPISSMIQEPAF-UHFFFAOYSA-N 362.382 3.008 0 1 FGAF COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1OC 28538814 IWYVMUDIEOXASM-FBMGVBCBSA-N 352.342 3.105 0 1 FGAF C[C@@]1(C(=O)Nc2ccccc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61925712 AJGHZWZZQWUAOJ-QFIPXVFZSA-N 373.412 3.180 0 3 FGAF Cc1cccc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)c1 20179033 SSQOPCFKSUCLLV-ZHALLVOQSA-N 357.498 3.174 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2[C@@H](O)C[C@]24C(=O)O[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356628630 ZKTGMDBHJUPSRY-WXPHICQLSA-N 359.510 3.050 0 1 FGAF COc1cccc(OC)c1OC(=O)[C@H](CCSC)N1CCCCC1 36080032 QNJNXVVAVDQRTA-AWEZNQCLSA-N 353.484 3.217 0 1 FGAF COc1cc(NC(=O)c2ccc3cc(C(N)=O)ccc3c2)cc(OC)c1 73198866 IUZPFSNDKGJVQT-UHFFFAOYSA-N 350.374 3.208 0 1 FGAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCc1ccccn1 82185338 OWLUCOYLTWWECU-UHFFFAOYSA-N 350.470 3.484 0 1 FGAF COc1cc2c(cc1OC)[C@@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O 85843527 NDCKQHZMIZHJRH-ZSMADZGOSA-N 370.401 3.137 0 1 FGAF biogenic,in-vitro O=C1CC[C@@H](C(=O)Nc2cc(-c3ccccc3)n(-c3ccccc3)n2)CN1 143752641 PYUUYFBTNWEVMQ-MRXNPFEDSA-N 360.417 3.004 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c[nH]nc32)N1 587795889 PDGLSYUGCINAFI-JDNHERCYSA-N 350.235 3.425 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)c(C)n1C)CC2=O 587471799 VHIHWTWAORSWRG-GOSISDBHSA-N 357.406 3.485 0 1 FGAF CN1CCC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587582491 LOAVYSMXDWSCFI-XQAUZQBESA-N 353.418 3.454 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(Cl)c4)n1)[C@@H](C2)C3=O 587417639 DKHBVEPNBPXCCU-LIRRHRJNSA-N 367.792 3.418 0 1 FGAF C=CN1CC[C@H]([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769187 NDKWWEQHXBBVRX-ZMNCSTGQSA-N 367.262 3.330 0 1 FGAF O=C1COc2cc3[nH]c(-c4ccc(Br)cc4F)nc3cc2N1 587142587 GRECOZSWXPYIEN-UHFFFAOYSA-N 362.158 3.462 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCSCC3)nc1)O2 587412356 AORCJWUMTGABEI-QGZVFWFLSA-N 355.463 3.232 0 1 FGAF COc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093735 GJFIFEMHGQRWAM-AWEZNQCLSA-N 357.357 3.329 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@](COCC(F)F)(c3ccccc3)c3cccc1c32 963020282 FFFGGGMYWYWXFW-QKKBWIMNSA-N 372.415 3.265 0 1 FGAF COc1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(OC)c(OC)n1 963108239 OKWHCHMWJORBLN-UGSOOPFHSA-N 358.413 3.356 0 1 FGAF Cc1nn(C)c2ncc(C(N)=O)c(Nc3cccc(OC4CCC4)c3)c12 13588204 XOTKMOQDZGHEHS-UHFFFAOYSA-N 351.410 3.051 0 1 FGAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)[nH]c2c1 13761447 ATYZPEFHXRASDC-INIZCTEOSA-N 365.477 3.459 0 1 FGAF CC(C)(O)c1cc2cc3c(cc2o1)OC[C@]1(O)c2ccc(O)cc2O[C@@H]31 15261714 FLURXOFTUKXKQN-ICSRJNTNSA-N 354.358 3.080 0 1 FGAF endogenous,in-man N[C@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 165813946 SULNOIBYGOBLSZ-KBPBESRZSA-N 360.824 3.494 0 1 FGAF Clc1c[nH]nc1-c1nc(-c2ccc(O[C@@H]3CN4CCC3CC4)cc2)no1 1857586305 WDJFLBRUDOSWMH-OAHLLOKOSA-N 371.828 3.253 0 1 FGAF Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 101212757 VAGPGGUKQAOKIE-LUVWLHFXSA-N 372.852 3.174 0 1 FGAF O=C(OCCN1CCCC1)c1cc(O)c2c(Cl)cc(Cl)cc2n1 27715245 WFQZSLFODMYCMS-UHFFFAOYSA-N 355.221 3.500 0 1 FGAF CCN1C[C@@]2(C)CC[C@H](OC)[C@@]3(C1)C2=CCC[C@@]12C[C@@H](OC)[C@@H](C[C@@H]13)C2=O 2356611450 XJKCJBPWGFRMFO-OZBXHNCQSA-N 373.537 3.454 0 1 FGAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccncc1 1911581369 SZKTWOGYBJJBIR-HNNXBMFYSA-N 364.232 3.200 0 1 FGAF C[C@@H]1N[C@H](C2CCC(CCCCC[C@@H](O)CC(=O)O)CC2)CC[C@H]1O 85488291 LCYHJMKSXUPWHT-KZOGFNOXSA-N 355.519 3.080 0 1 FGAF biogenic,in-vitro COC(=O)[C@]12C[C@H](C)[C@@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 195427273 CTAGORHSTSPKPD-NOWXIYOTSA-N 367.367 3.433 0 1 FGAF COc1ccc(S[C@@H]2CC(=O)N2C(=O)NCc2ccccc2)cc1OC 299863352 LAQGDBUHNLLVCP-GOSISDBHSA-N 372.446 3.264 0 1 FGAF Cc1ccccc1-c1cc2cnc(NN3C[C@@H]4C=CC[C@H]4C3)nc2n(C)c1=O 299870207 PTXLQZFTKJZNMK-HOTGVXAUSA-N 373.460 3.139 0 1 FGAF in-vivo CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(=N)[nH]cc2[nH]1 587190246 JAGYPVQRFAGMQK-MRXNPFEDSA-N 353.426 3.327 0 1 FGAF COC(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403436 MEYZSJVJGDGJEI-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Cl)cn1 587652199 XTVPBIVLOWPWGU-CYBMUJFWSA-N 351.193 3.191 0 1 FGAF CCc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 587024334 VWABYQWUJPTOIM-UHFFFAOYSA-N 359.455 3.337 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccnc1Cl)O2 587380910 XYODEKSYTJITGM-SFHVURJKSA-N 359.813 3.378 0 1 FGAF C[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 587153825 AHAKIRKGDSDPFB-GOSISDBHSA-N 357.316 3.330 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OCCO3 587787144 KHJHBKCJNSVQHD-UHFFFAOYSA-N 352.390 3.467 0 1 FGAF C[C@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592408 YMHFOHLXQCELHO-OXQOHEQNSA-N 365.341 3.296 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(N(C)C)cc1)O2 587386783 KMGKPSOVAKJULC-OAQYLSRUSA-N 367.449 3.396 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(C4OCCCO4)c3)c3cccc1c32 963026780 KMWBJRNVUWTSMH-IERDGZPVSA-N 364.445 3.265 0 1 FGAF Cc1ccc(C)c2c1OCC[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230989 RJCWYMYPIAKKNO-AUSIDOKSSA-N 374.440 3.477 0 1 FGAF CC[C@@]1(c2c[nH]c(C(=O)OC)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963602647 AITUPAARUSCUBJ-YUNKPMOVSA-N 358.438 3.006 0 1 FGAF COC(=O)C1=C(COc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 13125922 FJVAYWFOTDOMNM-QGZVFWFLSA-N 372.808 3.200 0 3 FGAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165777360 BLZJCPAXCWJANZ-OAHLLOKOSA-N 365.433 3.001 0 1 FGAF COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc21 581498 CXCSYLLGUQWHHQ-UHFFFAOYSA-N 373.792 3.209 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 2356402912 UWQVIOGQUQQNPO-SPPBCASHSA-N 372.417 3.235 0 1 FGAF Cc1cccc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)c1 4257444 MDQCNVBCJVMATA-UHFFFAOYSA-N 368.462 3.436 0 1 FGAF CC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 28235498 RUVNANCEFYIYHW-DHIUTWEWSA-N 364.489 3.353 0 1 FGAF CN1CCCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)CC1 116231950 WQLHETUGEZSAQT-UHFFFAOYSA-N 362.433 3.137 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](O)C(=O)O 2356488427 MBFXNYXLPHWLJQ-YKXDFUBGSA-N 350.499 3.452 0 1 FGAF CCOC(=O)CS(=O)(=O)c1ccc(-c2cncc3ccccc23)cc1 72181429 HKEMEIFRAVXRCV-UHFFFAOYSA-N 355.415 3.239 0 1 FGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccc(F)cc1 73159584 DKJVZOXYGWSLQE-AZUAARDMSA-N 358.365 3.224 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3nc4ccccc4o3)CC2)c1 198404664 UXMHPFAVTFGMIX-UHFFFAOYSA-N 367.478 3.359 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1Cl 95571652 LHDIBSOURPEVKN-RBUKOAKNSA-N 355.869 3.170 0 1 FGAF CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c12 143061825 YPRFGCJTWZKQFB-UHFFFAOYSA-N 369.812 3.235 0 1 FGAF Nc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 95578200 CZXGAHRDPLDBIM-UHFFFAOYSA-N 361.445 3.414 0 1 FGAF COCc1nc2c(c(C)nn2-c2ccccc2)c(=O)n1Cc1ccccc1 653817025 VPVLWONHOQDNJV-UHFFFAOYSA-N 360.417 3.085 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3c(OC)cc(OC)cc3[nH]2)cc1 587223833 GRHABJOSYIUBAV-UHFFFAOYSA-N 355.394 3.222 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587163685 UISLFDMJKALVEI-LSDHHAIUSA-N 359.426 3.223 0 1 FGAF COc1ccccc1NC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587649804 BVRGWAIRVRBSBF-UHFFFAOYSA-N 358.419 3.141 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cnn(CC)c1)CC2=O 587474122 BKVLMPJBTSIJRR-XPTLAUCJSA-N 369.465 3.497 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc[nH]c2=N)N1 587707298 VGQXOJOIAFLKTD-PWCHPLFNSA-N 371.641 3.068 0 1 FGAF COC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614008 ZYOWOGLVDNWPCM-GHTZIAJQSA-N 370.401 3.166 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587454920 ZIMAPXNIUBPXEE-QKKBWIMNSA-N 364.353 3.007 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c[nH]1 587060819 NGIFWXLEBIPMLI-UHFFFAOYSA-N 365.780 3.482 0 1 FGAF CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)CC4 587213340 QNXTWHQPXVWGDH-NRFANRHFSA-N 368.433 3.170 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587234684 HYUHUEASUKCNPQ-RNFRBKRXSA-N 362.149 3.194 0 1 FGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1 587243996 FZNOCGSUAJRJNP-UHFFFAOYSA-N 368.784 3.097 0 1 FGAF C[C@H](OC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21)c1ccccc1 962902751 LWQPECZHGXCJLM-FPSMJMQUSA-N 371.408 3.334 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(O)[nH]c3cc(Cl)ccc13)NCC2 962935141 YTEKRRNULAKFTK-SFHVURJKSA-N 369.852 3.464 0 1 FGAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccccc1 1772574729 PHBBGHAXNTZALA-NRFANRHFSA-N 350.462 3.373 0 1 FGAF CCCn1c(=O)c2[nH]c([C@@H](c3ccccc3)C3CC3)nc2n(CCC)c1=O 13861086 BMHIGIYMTNDBBQ-INIZCTEOSA-N 366.465 3.248 0 1 FGAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 169332171 SWMLFRMOWVYIDT-NLOYYIKFSA-N 362.510 3.135 0 1 FGAF O=C(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1 1857758818 RUABZPGRDIJZHR-UHFFFAOYSA-N 373.347 3.042 0 1 FGAF CCCN(CCC)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)CC 4971378 ICSOVQFDJVCQMD-AWEZNQCLSA-N 352.500 3.185 0 1 FGAF Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 104135471 VAGPGGUKQAOKIE-RPLLJCPNSA-N 372.852 3.174 0 1 FGAF O[C@H](c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26010414 CSFMHUPEOLNPQD-IAGOWNOFSA-N 364.232 3.206 0 1 FGAF CN1C[C@@H]2C[C@@H]1CN2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 100870082 AXGKYFAKZIXSBN-UXHICEINSA-N 358.432 3.459 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1C(=O)NC(=O)[C@@H]1CC=CC[C@@H](C)CC(=O)O 2356626949 QKFPKSFDJQKEKM-TWMKSMIVSA-N 367.486 3.044 0 1 FGAF COc1cc(-c2nc(CN(C)Cc3cccnc3)co2)cc(OC)c1OC 72184947 QIITZCPBFMWGJZ-UHFFFAOYSA-N 369.421 3.394 0 1 FGAF OC1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139065644 MGOBQJMKELVBHL-UHFFFAOYSA-N 363.421 3.369 0 1 FGAF NC1=N[C@]2(c3ccc(F)cc3F)CO[C@H](C3CC3)C[C@@H]2[C@H](CF)S1 221414293 ZOKDMAYUPFRZKD-DYWXZXKOSA-N 356.413 3.375 0 1 FGAF COc1ccc2c(c1)/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N2C 96923445 GCCAMHHZFKNLMB-OVCLIPMQSA-N 355.390 3.238 0 1 FGAF C[C@@H]1OC(=O)[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](N(C)C)[C@H](O)C[C@@]54C)[C@H]2CC[C@H]13 255260836 QHMLSDSMAKJEBA-IPNOOORMSA-N 373.537 3.392 0 1 FGAF NCCC[C@@H](Cc1cn([C@H]2CC[C@H](Oc3ccccc3)CC2)cn1)C(=O)O 261190742 ZALSOORDNKVPOI-QRFRQXIXSA-N 371.481 3.428 0 1 FGAF Cc1cc(Nc2ccc(C(=O)NCCF)cc2)nc(-c2ccncc2)n1 653871614 LMMCJPHXVHBJNM-UHFFFAOYSA-N 351.385 3.290 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1C 587831222 HKOKNKRZLHPJGI-NDZWQMFASA-N 356.235 3.289 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 587783453 RSJGVVRERPKUAV-UHFFFAOYSA-N 361.195 3.414 0 1 FGAF COc1cc2c3c(c1)O[C@H](C(=O)c1ccccc1Br)[C@@H](C2)C3=O 587411219 CEUVBMYVQNFKPO-SGTLLEGYSA-N 373.202 3.457 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587445187 XQCVNTXFRFHSPX-HRAATJIYSA-N 352.386 3.335 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)cc1)O2 587398019 DICKVUDCBGRYGT-FQEVSTJZSA-N 351.450 3.036 0 1 FGAF COC(=O)Nc1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587243015 AUIMRDAHWBWXHR-UHFFFAOYSA-N 365.437 3.160 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Oc1ccccc12 587841033 LOJWODVIACPALH-HUTHGQBESA-N 362.198 3.285 0 1 FGAF COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 13560182 NMZPGTCGQWMZBC-UHFFFAOYSA-N 369.509 3.124 0 1 FGAF COc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1 13740993 FJIKITBGGGDJBY-UHFFFAOYSA-N 373.522 3.089 0 1 FGAF Cn1nccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 169702166 HTZXHIWHMJUDNV-UHFFFAOYSA-N 371.448 3.044 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cnsn3)CC2)CC1 1857548799 ZHUZUZXSVCVOKQ-MRXNPFEDSA-N 373.526 3.180 0 1 FGAF COc1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c(=O)n3C)c(C)c1 1857551122 GDCYSLURZVYCII-UHFFFAOYSA-N 361.405 3.180 0 1 FGAF C[C@H](NC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O)c1ccccc1 1857571763 BQCVEXQQKDSHBO-AWEZNQCLSA-N 359.429 3.239 0 1 FGAF COc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1O 1857745960 YUSPGCFRDYKBJM-UHFFFAOYSA-N 368.389 3.042 0 1 FGAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cn1 2356434410 QFZYJSBVZVOLFF-YJBOKZPZSA-N 370.428 3.014 0 1 FGAF Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1 2966665 FDDLMJXMSPINQK-UHFFFAOYSA-N 373.430 3.226 0 3 FGAF COc1c(OCC=C(C)C[C@H]2C=C(C)C(=O)O2)ccc2ccc(=O)oc12 2356378603 QUKDLMFYXITHBM-HNNXBMFYSA-N 356.374 3.389 0 1 FGAF Cn1cccc1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 3956381 UPPAGEGUGLRVSZ-UHFFFAOYSA-N 358.511 3.000 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049666 QXGVCVQHTRFICG-HDAAZOAOSA-N 364.445 3.198 0 1 FGAF COc1c(O)ccc2c1C[C@@H](C(C)(C)O)[C@H]2CC(=O)c1ccc(O)cc1O 2356398639 YDZGKRLTKOOVRI-GOEBONIOSA-N 372.417 3.112 0 1 FGAF N[C@@](CCC(c1ccccc1)c1ccccc1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27187793 MYZZJMFAJXSPSC-WAOWUJCRSA-N 353.418 3.102 0 1 FGAF CC(=O)O[C@@]1(CO)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)O)[C@@H]2CC[C@@H]1C3 36416810 WIWQJTOJXFFLJC-MZLRYNDKSA-N 350.499 3.438 0 1 FGAF CCNC(=O)c1c(NCC(C)C)c2cccnc2n2c(C(C)C)nnc12 45245161 YMSJFVRJDZAOTB-UHFFFAOYSA-N 354.458 3.219 0 1 FGAF O=C(CP(=O)(O)O)OCCCc1cccc(Oc2ccccc2)c1 40974311 PPAFLNYOZLPKMD-UHFFFAOYSA-N 350.307 3.132 0 1 FGAF CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@@H]2CO 95878086 PAWFNCKMXJFLIW-WMQCIHAUSA-N 354.425 3.213 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1 143262835 KUEUTYLMXITTIX-UHFFFAOYSA-N 367.497 3.383 0 1 FGAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccco2)ccc1=O 25427112 XTVXVEDXIQRRIQ-WBVHZDCISA-N 360.413 3.368 0 1 FGAF biogenic O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 96916388 DKXLODFJDSYDRO-SNVBAGLBSA-N 367.839 3.144 0 1 FGAF CCN1Cc2nnn(CC3CCCCC3)c2-c2ccccc2S1(=O)=O 96019390 XHFDXNXSXBEZBK-UHFFFAOYSA-N 360.483 3.050 0 3 FGAF C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 263591541 OIEDDWOQRVAKTI-NRGSKDIESA-N 360.542 3.142 0 3 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncnn2c1 587586561 KRLHHPZZYUSKAF-PXNSSMCTSA-N 359.341 3.138 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-n2cccn2)nn1 587872015 GUHUWTLZLPKPPD-UHFFFAOYSA-N 350.357 3.053 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC1(CC3)OCCO1 586992808 XSCKLMGKZLKXSO-UHFFFAOYSA-N 359.381 3.384 0 1 FGAF COC(=O)[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587390691 NCDQRGDKAKACFW-NRFANRHFSA-N 364.401 3.103 0 1 FGAF CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587777626 BIZLIOZQHFIIOM-UHFFFAOYSA-N 373.478 3.193 0 1 FGAF CCOC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042528 LIAVHDWLNPMBRU-AWEZNQCLSA-N 361.467 3.360 0 1 FGAF C[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587129350 WZCASJFAJUZPTD-GSVOUGTGSA-N 363.706 3.051 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C(F)(F)F)cc21 587381562 GTAUZKLYWSVALF-QGZVFWFLSA-N 362.307 3.409 0 1 FGAF CCOC(=O)Cc1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 587238572 CVZCQNWDYPQOJR-UHFFFAOYSA-N 365.433 3.467 0 1 FGAF Cc1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1C 587201724 BRWKZFGZKDMHTA-MRXNPFEDSA-N 367.405 3.102 0 1 FGAF Cn1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580527 IONGPYCRGXTSGX-XLIONFOSSA-N 350.374 3.089 0 1 FGAF O=C(O)c1cc(F)cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962767539 PNGWEJPTEXADJZ-CABCVRRESA-N 367.298 3.259 0 1 FGAF CCCN(CC1CC1)C(=O)CCc1nnc([C@H](OC)c2ccccc2)o1 11753415 CTKDJBDOXUGHJT-LJQANCHMSA-N 357.454 3.387 0 3 FGAF Fc1ccc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)cc1 13762466 HSLUKGWVBNRWNC-UHFFFAOYSA-N 361.424 3.344 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@H]21 169692172 KAQKFAOMNZTLHT-WPWNTWNVSA-N 352.471 3.409 0 1 FGAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1C(=O)O[C@H](c2ccccc2)C1=O 169727248 DMUUIFGKJLDOPP-DZGCQCFKSA-N 364.184 3.415 0 1 FGAF CC1(C)CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729827 HCJGBVOQKBZSBO-HNNXBMFYSA-N 362.857 3.363 0 1 FGAF O=c1c2c(oc3ccccc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857578662 NFJKEWXAAZTARN-JBZZYGANSA-N 350.462 3.418 0 1 FGAF CCOC(=O)C1CCN(C(=O)c2cc3c(F)c(Cl)ccc3n2C)CC1 1857765091 SFKJVQHLDBMOKG-UHFFFAOYSA-N 366.820 3.386 0 1 FGAF Cc1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)Cc1ccccc1 775164 JRFWRKHLSPMSLQ-HNNXBMFYSA-N 354.381 3.123 0 1 FGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6416624 OKCMHICLASMMRR-ZENOOKHLSA-N 353.846 3.203 0 1 FGAF Cc1ccc(-c2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 103193664 QPWIBTJRAUDOBO-HNNXBMFYSA-N 362.389 3.037 0 1 FGAF Cc1ccc(=O)n(-c2ccc(OCCCCCN3CCOCC3)cc2)c1 103233163 GDMYJQRSWZOLTN-UHFFFAOYSA-N 356.466 3.027 0 1 FGAF N=C(NCCO)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101134 PVPGEAGEDJUYJD-UHFFFAOYSA-N 369.450 3.243 0 1 FGAF CC(C)CCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 100792269 UJNMQXTZPSEGNU-IRXDYDNUSA-N 373.497 3.176 0 1 FGAF COCc1cc(=O)[nH]c(-c2ccc(CN3CCC[C@@H]3C(F)(F)F)cc2)n1 23214055 JYJAFYDQTKPOCK-OAHLLOKOSA-N 367.371 3.110 0 1 FGAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)[C@@H](O)C=C2 2356608515 RCIOEOWZSQVXEU-NHYWBVRUSA-N 360.406 3.104 0 1 FGAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](OC)C[C@H]1[C@@H]2C(=O)OC 2356672321 FPYWPRHZJJOPJP-NMLACTOBSA-N 368.477 3.467 0 1 FGAF c1cc2c(c([C@@H]3OC[C@H]4[C@H]3CO[C@H]4c3cccc4c3OCO4)c1)OCO2 2356725854 MHWKVSWLLYGYHT-DACLVMHWSA-N 354.358 3.219 0 1 FGAF CC1(C)[C@@H]2CCC(=CCc3cc(O)ccc3O)C(=O)O[C@@]2(C)CC[C@H]1O 2356842079 MKQIFVOOVMGNKO-UEXGIBASSA-N 360.450 3.460 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2Cl)C1 36380652 NVVGNBANFLMJLO-UHFFFAOYSA-N 364.902 3.397 0 1 FGAF COc1ccccc1N1CCN(c2cc(=O)oc3ccc(C)cc23)CC1 49844756 RAJMTQKEGDWGFO-UHFFFAOYSA-N 350.418 3.437 0 1 FGAF C[C@H](Oc1cc2cc(F)ccc2[nH]c1=N)c1nc(O)ccc1-n1cccn1 1911570320 CLEFVPILGAPOTG-NSHDSACASA-N 365.368 3.213 0 1 FGAF CNCc1cc(-c2ccccc2Cl)n(S(=O)(=O)c2cccnc2)c1 84669274 CIIKYMISJFCKSH-UHFFFAOYSA-N 361.854 3.160 0 1 FGAF CCN(CC)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206651 LGDIRMAPOMVEOK-ZBFHGGJFSA-N 361.482 3.376 0 1 FGAF biogenic CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)C1 299887549 ZATDNGGJPFESOO-KFGODFMUSA-N 362.518 3.404 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(N(C)C)ccc21 587484971 OZUYHKIXXPIPGD-OAQYLSRUSA-N 366.417 3.224 0 1 FGAF O=S(=O)(CCc1nc2ccc(Cl)nc2[nH]1)c1ccc2c(c1)CCC2 586921125 YNOVCJPMKRZNDP-UHFFFAOYSA-N 361.854 3.116 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]13)O2 587400068 OVNORJYBMVENQJ-HEHGZKQESA-N 358.438 3.024 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 586945955 DLURDWWSFQWVNX-UHFFFAOYSA-N 367.833 3.049 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc12 587785334 NCMAYBMJFMBCBD-HUUCEWRRSA-N 350.374 3.293 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OCO4)C(F)(F)F)n1 587094670 SIYGZXUJUQIUNV-AWEZNQCLSA-N 371.340 3.049 0 1 FGAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnncc2[nH]1 587231640 TTXHRFYBFBZXIJ-UHFFFAOYSA-N 374.404 3.242 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ncnn12 587585315 DDRXQFFQUMUJSR-PXNSSMCTSA-N 359.341 3.138 0 1 FGAF CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587594770 IUNXWFFDDFBTJR-UZLBHIALSA-N 368.385 3.456 0 1 FGAF COC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811291 WJJQBKNMDUVSRC-FVMDXXJSSA-N 356.235 3.291 0 1 FGAF CC1(C)CN[C@]2(CCOCC[C@H]2C(F)(F)F)c2c1ccc1c2OCO1 963391702 XCNLHAQDGAGNLW-DYVFJYSZSA-N 357.372 3.480 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1cnn(CC(F)(F)F)c1)N(C)[C@H](C)C2 962633079 SIXOMNHXDKETII-BZNIZROVSA-N 369.387 3.428 0 1 FGAF COc1ccc([C@@H]2CCN(c3cc(-c4ccccn4)nc4ncnn34)C2)cc1 1772570534 OIIPYHYWRYPTAN-MRXNPFEDSA-N 372.432 3.189 0 1 FGAF CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)C(C)(C)O)C3)C2)cc1 11703907 LQMYNLFAKJLMEC-QFIPXVFZSA-N 358.526 3.395 0 1 FGAF COc1ccc(C2(c3cccc(O)c3OC)CCN(C(C)=O)CC2)cc1O 12480127 OUIJROJMBAIVSY-UHFFFAOYSA-N 371.433 3.043 0 3 FGAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCC3CC3)n2)n2n1CCC2 13560996 DIHFVAMILQNPTN-UHFFFAOYSA-N 365.412 3.139 0 1 FGAF CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1OC(=O)OCC 13783112 NPGAEJRNYJYPMA-JYJNAYRXSA-N 350.367 3.398 0 1 FGAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccncc4)c3)cc12 14957868 UUZUQAMMGJUOQF-SFHVURJKSA-N 359.433 3.277 0 1 FGAF Fc1ccc(-c2cccc(N3CCC(NC[C@@H]4COCCO4)CC3)c2)cc1 19146855 KDRQNGYGLSQZMR-JOCHJYFZSA-N 370.468 3.467 0 1 FGAF COc1cc(O)c2c(=O)c3c(oc2c1)COc1cc(OC)c(OC)cc1-3 169472603 AHASVNPHVWSIGH-UHFFFAOYSA-N 356.330 3.084 0 1 FGAF C=CC(=O)Nc1ccc(F)c(-c2nc[nH]c3ncc(C(=O)OCC)c2-3)c1 1857639416 KNLROUBMVYVLGX-UHFFFAOYSA-N 354.341 3.017 0 1 FGAF O=C(NN1C(=O)CS[C@H]1c1ccccc1)c1nsc2ccccc12 1857764146 YDSVPQPJXXNROM-KRWDZBQOSA-N 355.444 3.215 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@@H](COC(=O)Nc3ccccc3)CN1CC2 104114713 KXDJOUNIDKLAMT-QRWLVFNGSA-N 368.433 3.482 0 1 FGAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@H]12 221935263 RJCATDRZHHIVMG-IBGZPJMESA-N 351.381 3.393 0 1 FGAF C[C@H](CCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356345612 VZEGHYGOTDETNP-PKRADWSKSA-N 372.502 3.400 0 1 FGAF CNc1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cn1 103070154 XZOFXENTMWJTRV-LRFGSCOBSA-N 374.403 3.313 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@@H](C2)N1C(C)=O)OCO4 101340945 OKPDNMIWHNLPTK-DLBZAZTESA-N 367.401 3.176 0 1 FGAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1 27634080 VMZPFBUFAFZSKJ-UHFFFAOYSA-N 359.378 3.141 0 1 FGAF CCC/N=c1\c(NC(=O)c2ccc3c(c2)OCO3)c(O)oc2ccccc12 104199093 HZYXNPDGDHADTL-FXBPSFAMSA-N 366.373 3.430 0 1 FGAF CC(C)CCNC(=O)[C@H](CC(C)C)N/C=C1/C(=O)N(C)c2ccccc21 102812269 HYPZLFRKPAWRAY-KJCUYJGMSA-N 357.498 3.171 0 1 FGAF CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 28021588 DHXKXXSINUXJGW-LSDHHAIUSA-N 369.448 3.411 0 1 FGAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(OC)c3OC)C=C21 2356839024 MFKKXKJSHUZFFY-UHFFFAOYSA-N 369.417 3.296 0 1 FGAF COc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCC2)cc1OC 61895725 BAERLAZWRAUSBN-HXUWFJFHSA-N 360.454 3.214 0 3 FGAF CCCc1c(Cl)cc(O)c(OC)c1C(=O)NC[C@@H]1CCCN1CC 64453503 RZFMBOWSMDNJRN-LBPRGKRZSA-N 354.878 3.221 0 1 FGAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2ccsc2)cc1 34600497 ORDRYCIREMWXQH-MSOLQXFVSA-N 364.536 3.141 0 1 FGAF CNC(=O)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72103528 NDKYCJRBGUSFLP-FQEVSTJZSA-N 352.821 3.379 0 1 FGAF FC(F)(F)c1cc(OCc2nnn[nH]2)c2cccc(C(F)(F)F)c2n1 40952659 YITGBQKVJOSWJP-UHFFFAOYSA-N 363.221 3.365 0 1 FGAF COc1cc2c(c(OC)c1OC)[C@@H]1Cc3cc4c(cc3CN1CC2)OCO4 84689820 RSBZFMUBYVLOMY-HNNXBMFYSA-N 369.417 3.097 0 1 FGAF Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(C)o2)c1 82173449 RERHCULMBBUQCE-UHFFFAOYSA-N 350.422 3.377 0 1 FGAF Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1C(F)(F)F 138107731 QWCFKFHIGHYALO-UHFFFAOYSA-N 362.311 3.140 0 1 FGAF COc1[nH]c(O)c(C(=O)[C@H](C)C[C@@H](C)C(C)(Cl)Cl)c(=O)c1OC 142344358 NTZLCVPFRJTASX-HTQZYQBOSA-N 366.241 3.137 0 1 FGAF in-vivo Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2nc1O 263620370 DQJOFVKRLCBKNO-QZTJIDSGSA-N 370.497 3.383 0 1 FGAF in-vitro CSc1ccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)cc1 473117379 ZDAURRZILUFDPY-UHFFFAOYSA-N 361.858 3.419 0 1 FGAF CC(C)C[C@@H]1C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473197821 FZBQZAKEZMXGDP-YESZJQIVSA-N 361.438 3.006 0 1 FGAF Cc1nc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2n1 587587971 QVOPARZWFNDWOY-GHTZIAJQSA-N 373.368 3.446 0 1 FGAF CC[C@@H]1CN=C(Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)S1 587564100 OFCFHPDCFUVILY-GFCCVEGCSA-N 367.434 3.396 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cnn(C)c1)CC2=O 587476516 PKOCMWYEBYRKGA-KRWDZBQOSA-N 352.394 3.175 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1 587083996 QMIFIUDSSCYRAW-UHFFFAOYSA-N 351.815 3.081 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1(C(=O)O)CC1)[C@@H](C2)C3=O 587450499 MFKLRUOWPPVEBW-YCRPNKLZSA-N 350.370 3.203 0 1 FGAF COC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1OC 587017373 VLOWHIKGELUGTO-GFCCVEGCSA-N 359.407 3.333 0 1 FGAF CC(=O)NC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587743038 NDAOQNSQWNHIHN-OPFFKBQKSA-N 369.278 3.396 0 1 FGAF COC(=O)c1ccc([C@@]2(CF)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614667 YHASXFHSHZGZIN-LRTDBIEQSA-N 373.424 3.238 0 1 FGAF CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC 1772613415 SFMBSJPYTWPKHS-UHFFFAOYSA-N 352.434 3.203 0 1 FGAF CCOC(=O)[C@@H]1Oc2ccccc2C(c2ccc(F)cc2)=C1C(=O)OC 13814317 JFEWRADRVNBFDF-GOSISDBHSA-N 356.349 3.125 0 3 FGAF C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711460 QMIHWQQQIUIAFK-HSSOGYSNSA-N 360.523 3.367 0 3 FGAF COc1cccc2c(NN3C(=O)C=C(C)C3=O)nc(-c3cccs3)nc12 1489585 TXTCSEQSNALUDD-UHFFFAOYSA-N 366.402 3.009 0 1 FGAF COC(=O)N1CCC2(CCCN(C(=O)Nc3ccc(OC)cc3)C2)CC1 4238180 GBWNEZQOXYHYLK-UHFFFAOYSA-N 361.442 3.172 0 1 FGAF CC1=C[C@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356300726 NIGOAAVROSJHEW-ZNMIVQPWSA-N 371.524 3.356 0 1 FGAF O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)CCN1C/C=C/c1ccccc1 103275035 JMHXLQAHRXFNAM-ZHBFVYIWSA-N 365.429 3.053 0 1 FGAF Nc1nc(N)c2nc(N3CCCC[C@H]3Cc3ccc(Cl)cc3)ccc2n1 26568585 WNKDDPOENUSRLM-AWEZNQCLSA-N 368.872 3.444 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@H](C(=O)OC)[C@H]2Cc1c3[nH]c2ccc(OC)cc12 2356524265 XFNCEOVSEPVUBT-BPQTVZERSA-N 352.434 3.213 0 1 FGAF COc1ccc(Sc2ccccc2N2CCN(CC(=O)O)CC2)cc1 28370068 WTOJCCONXJJYOX-UHFFFAOYSA-N 358.463 3.053 0 1 FGAF CCOC(=O)N(C)c1c(CC)nc2c(OCC(=O)C(C)(C)C)cccn12 61895606 ZPNNSPVWSMNUED-UHFFFAOYSA-N 361.442 3.483 0 3 FGAF CN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1ccccc12 35967001 ODRJZKUJAYVKSJ-UHFFFAOYSA-N 370.493 3.187 0 1 FGAF COC(=O)c1ccc2c(c1)c1c(n2CCCN2CCOCC2)CCCC1 73162003 JJWRBMIPWWLSSY-UHFFFAOYSA-N 356.466 3.029 0 1 FGAF Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1-c1ccccc1O 35000912 JCCZRYLWESFGSU-UHFFFAOYSA-N 355.419 3.024 0 1 FGAF C[C@H](Cc1ccc(OCC(=O)O)cc1)N1CCO[C@H](c2ccccc2)C1 40861706 IZMPUMMFBWYGIR-UZLBHIALSA-N 355.434 3.155 0 1 FGAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCOCC2)c1 82145158 GLZUTIRDTMRBFS-UHFFFAOYSA-N 368.481 3.017 0 1 FGAF CCCCNc1nc(NC[C@@H]2CCCO2)nc2cc(OC)c(OC)cc12 82129984 YQSFRVZOLVVKJC-ZDUSSCGKSA-N 360.458 3.450 0 1 FGAF COc1cc(OC)cc(-c2nc(C(=O)OCCCCN(C)C)cs2)c1 82086401 JAAHURGKTHRAOH-UHFFFAOYSA-N 364.467 3.326 0 1 FGAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCC(C)C)c2cc1OC 82128656 PYFBBVFUNOJOGD-CYBMUJFWSA-N 360.458 3.306 0 1 FGAF Cc1ccc(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)cc1 145712657 ZJBJTRVSIRUZGZ-UHFFFAOYSA-N 367.434 3.444 0 1 FGAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)[C@@H]4CCCO4)n3)ccc21 95755255 IHGIDRIRPXEZGH-INIZCTEOSA-N 371.462 3.227 0 3 FGAF COc1cc2nncc(N3C[C@@H](O)C[C@H](c4ccccc4)C3)c2cc1OC 474610027 ZGKBJLWRRKIBCP-HOTGVXAUSA-N 365.433 3.002 0 1 FGAF CNC(=O)Nc1nc2cc(Oc3cc(OC)c(OC)c(OC)c3)ccc2[nH]1 299829033 KKUPKRKSUBLNDJ-UHFFFAOYSA-N 372.381 3.132 0 1 FGAF CCCCNCC1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]3C1 299811751 JRAMAKRATQPWFA-DSXMGRQXSA-N 368.521 3.290 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587234683 HYUHUEASUKCNPQ-NKWVEPMBSA-N 362.149 3.194 0 1 FGAF Cc1csc([C@](O)(Cc2nc3ccc(Cl)nc3[nH]2)C(F)(F)F)n1 587094955 WYDJPGHKKHJHIM-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF CN1CCN(c2ccc3nc(CCOCc4ccccc4)[nH]c3c2)CC1 587566252 CIJBHUMSPBXYPU-UHFFFAOYSA-N 350.466 3.074 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1)CC2=O 587481126 ABZPOMZBMGIVSH-SFHVURJKSA-N 360.431 3.455 0 1 FGAF C=CN1CCCC[C@H]([C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396597 UKTYVBJUVNNABU-KKSFZXQISA-N 354.450 3.463 0 1 FGAF COC(=O)/C=C/c1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442256 JFSCSNOPGRBVCD-AMRVBLOXSA-N 366.369 3.076 0 1 FGAF CC(C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597143 SSNKPVQLANRZKX-FXAWDEMLSA-N 356.374 3.454 0 1 FGAF COc1ccc(C)c2c1NC(=O)[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963116384 WSFMGYODFJGMQL-LHSJRXKWSA-N 352.409 3.359 0 1 FGAF COC(=O)c1cc([C@@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)c[nH]1 963341134 LCCJWDGSSDZPTH-OAQYLSRUSA-N 366.392 3.084 0 1 FGAF O=Cc1sc(F)cc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762362 ITYVKIAACJWRAV-SMDDNHRTSA-N 357.328 3.435 0 1 FGAF CC[C@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3sccc32)c1=O 5108547 UZAQXIQMWSCUAT-CQSZACIVSA-N 372.494 3.373 0 1 FGAF CC(C)N1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358359 MBQZLMFCZOJMGP-LJQANCHMSA-N 369.417 3.285 0 1 FGAF O=C(c1coc(Cn2cnc3ccccc32)n1)N1CCc2sccc2C1 12439306 PKXUBYYWACJXRB-UHFFFAOYSA-N 364.430 3.333 0 1 FGAF CCSc1nc(N2CCOCC2)c2cnn(/C=C/c3ccccc3)c2n1 13682822 DRRMKBHBVOSOKW-CMDGGOBGSA-N 367.478 3.403 0 1 FGAF CCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 202519920 PNYQLJFUOXGDMF-AWEZNQCLSA-N 356.879 3.080 0 1 FGAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cn4)n3)c2c1 1857642102 ZNHQJXHYQWLGFE-UHFFFAOYSA-N 374.404 3.396 0 1 FGAF COc1ccc(Cn2c(C3CC3)nc3ccc(NC(C)=O)cc3c2=O)cc1 1363111 ZXAIVMAXPBKZJI-UHFFFAOYSA-N 363.417 3.289 0 3 FGAF COc1cccc(NC(=O)Nc2c(=O)[nH]c(C)c3cc(OC)ccc23)c1 28096617 DBNGOUTZTVNTHF-UHFFFAOYSA-N 353.378 3.498 0 1 FGAF CSC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 29307087 PAEDNRBYEPLOGD-AWEZNQCLSA-N 355.257 3.054 0 1 FGAF CCCNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1ccc(Cl)cc1 36389091 QLPMSLPWXMYMTH-SFHVURJKSA-N 374.868 3.216 0 3 FGAF O=C1CC[C@@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CCN12 36289137 XIMBWYVCWCNCSS-DYESRHJHSA-N 367.880 3.230 0 1 FGAF Cn1ccnc1Sc1cc(NC(=O)c2cccc(N)c2)c(N)cc1F 45394259 QSTXXGGNWWTITD-UHFFFAOYSA-N 357.414 3.127 0 1 FGAF O=C(N[C@@H](CO)COCc1ccccc1)c1csc(-c2ccccc2)n1 82074176 WKOBYBAMHWPCNN-KRWDZBQOSA-N 368.458 3.118 0 1 FGAF CCn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(CC)c1=O 95594848 QAQCQFXJKYDZKJ-DHZHZOJOSA-N 357.841 3.365 0 1 FGAF O=c1c2cc(OCCCn3ccnc3)ccc2nc2n1Cc1ccccc1-2 299826968 FNPVIOSBFNALDE-UHFFFAOYSA-N 358.401 3.091 0 1 FGAF COC(=O)C[C@]1(Cc2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427878 WOMHBYGWELPTGK-VFNWGFHPSA-N 370.376 3.126 0 1 FGAF OCc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 586895578 NRIXFXOJNOWQSN-UHFFFAOYSA-N 350.159 3.327 0 1 FGAF Oc1nc(O)c2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2n1 587128807 RCBZONXXOHVNOW-UHFFFAOYSA-N 361.333 3.492 0 1 FGAF N=c1[nH]cc2nc(-c3cc(Cl)cc(Cl)c3Br)nc-2[nH]1 586975603 NVRBDDDVKCYEHE-UHFFFAOYSA-N 359.014 3.453 0 1 FGAF COC(=O)c1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cn1 587027671 ZUEQISAADSEZCO-UHFFFAOYSA-N 354.391 3.360 0 1 FGAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(I)cnc2[nH]1 586913773 SKHDVSJNZPFYBU-ONGXEEELSA-N 357.195 3.235 0 1 FGAF O=S(=O)(/C=C\c1nc2cncc(Br)c2[nH]1)c1ccccc1 586925251 XWPQFTZAUNBZSK-SREVYHEPSA-N 364.224 3.165 0 1 FGAF COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](C(=O)O)(C5)C4)[C@@H](C2)C3=O 587453277 XXSWWBVYDZVHPR-JZNYKXCNSA-N 354.402 3.092 0 1 FGAF COc1nccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586972279 GLDLSGYBJHXPOU-OAHLLOKOSA-N 356.451 3.077 0 1 FGAF NC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12 43198182 XNXQMKGGFGDFEC-UHFFFAOYSA-N 368.458 3.226 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(N)=O)cc1)CC2=O 587469499 ISCRKTUVDOGUDW-OAQYLSRUSA-N 369.417 3.089 0 1 FGAF COc1ccc([C@H]2NCCc3cccc(Cl)c32)cc1CN1CCOCC1 963379359 HOCPTVBZMHRFDD-OAQYLSRUSA-N 372.896 3.416 0 1 FGAF Cc1cc2c(cc1O)[C@@H](c1nc3ccc(F)cc3s1)N[C@H](C(=O)O)C2 963505463 BFFFXYKFMVKZKH-BBRMVZONSA-N 358.394 3.138 0 1 FGAF CCOC(=O)[C@H](C(C)C)[C@@]1(C(=O)OCC)NCCc2c1sc(C)c2C 963016339 YHPQNMWZSXCBKU-HNAYVOBHSA-N 367.511 3.104 0 1 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CCOc4ccccc43)ncc12 1772657644 SCJVXLIJJWBAEC-CYBMUJFWSA-N 352.398 3.035 0 1 FGAF Nc1oc2cc(=O)ccc-2cc1C(=O)Nc1ccc(Br)cc1 5522174 GGUHJZJRSQQGBI-UHFFFAOYSA-N 359.179 3.342 0 3 FGAF CC1(C)O[C@H]2Oc3ccc4c(=O)cc(-c5ccccc5)oc4c3[C@H]2[C@@H]1O 14695518 XBKLVCYSINXGAW-YSIASYRMSA-N 350.370 3.432 0 1 FGAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)C1CCCCC1 1857635292 AMTPNEDFZVXQNK-UHFFFAOYSA-N 350.220 3.148 0 1 FGAF CSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 5222695 XJHIDQOFDZCREQ-UHFFFAOYSA-N 369.402 3.482 0 1 FGAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C\[C@H](O)[C@@H](O)CCCC(=O)O 261116956 IXAQOQZEOGMIQS-YJNHMRSOSA-N 352.471 3.129 0 1 FGAF in-vitro Cc1ccc(CS(=O)(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 4708536 IIKNPOQDTIJQEH-SOLBZPMBSA-N 351.512 3.241 0 1 FGAF CN1[C@H]2O[C@@H]3Cc4cc5c(cc4[C@H]1[C@]3(C)c1ccc3c(c12)OCO3)OCO5 103579057 MARJZNJEWWKEKF-MBPVOVBZSA-N 365.385 3.042 0 1 FGAF biogenic,in-vitro COC(=O)C1=C(c2ccc(I)cc2)C[C@H]2CC[C@H]1O2 101019558 SIVVTQXNEALXFA-DGCLKSJQSA-N 370.186 3.169 0 1 FGAF O[C@H](c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccccc1Cl 26008617 ANLXICFIPWEMIN-SJORKVTESA-N 364.232 3.206 0 1 FGAF C[C@H](N)Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 27320262 IMARFWCPUQCSCA-LBPRGKRZSA-N 351.841 3.161 0 1 FGAF O=C(Nc1ccccc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907163 BHBVXVLTAIEKBH-IBGZPJMESA-N 360.369 3.420 0 3 FGAF COC(=O)c1ccc(C[C@@]2(C)C(=O)Nc3ccc(OC(F)(F)F)cc32)o1 61895610 JORXUHLEWYHMHP-MRXNPFEDSA-N 369.295 3.417 0 3 FGAF O=C(N1CCCCC1)N1CC(O[C@@H](c2ccccc2)c2cccnc2)C1 73258809 VWRBVFUDQJCWAH-FQEVSTJZSA-N 351.450 3.478 0 1 FGAF CC(C)(C)n1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O 33688458 WIUBAWPIVCLZHL-UHFFFAOYSA-N 360.801 3.281 0 1 FGAF c1ccc(CCNc2nc(NCCc3ccccn3)c3cccnc3n2)nc1 72182374 DOLZYTDMFRYBGS-UHFFFAOYSA-N 371.448 3.124 0 1 FGAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccccn3)c2)cc1OC 74387561 OFUZTLNZNSOTAZ-UHFFFAOYSA-N 366.421 3.336 0 3 FGAF Nc1nnc(CCCCc2cnc(NC(=O)Cc3ccccc3)s2)s1 95578676 BSNGYWHHDXJRIP-UHFFFAOYSA-N 373.507 3.323 0 1 FGAF C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](NCC(F)(F)F)C1 96270804 QEKANLQOSSFFGI-MXWKQRLJSA-N 367.375 3.211 0 1 FGAF CCCCCn1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1ccco1 95604551 DUFMPJLLWSKBLT-QGZVFWFLSA-N 351.410 3.202 0 3 FGAF COc1ccc(-[n+]2noc(O)c2CNc2nc3ccc(C)cc3s2)cc1 98085412 NIXOWBGNOJMLOT-UHFFFAOYSA-O 369.426 3.196 0 1 FGAF COCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21 473123237 LNBBRDJTXFKNTH-UHFFFAOYSA-N 372.331 3.206 0 1 FGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3F)c2)c1 653886887 BRRKYXAOEVHQNK-UHFFFAOYSA-N 365.364 3.151 0 1 FGAF Fc1ccc(-c2cnn(Cc3nc4nc(Br)c[nH]c-4n3)c2)cc1 587164810 BKRNKASEUSQENZ-UHFFFAOYSA-N 373.189 3.118 0 1 FGAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC[C@H]1CO1 587411770 KDZBUXCUZNUBGM-SPLOXXLWSA-N 369.417 3.244 0 1 FGAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513780 UIHRCWFDUXHPFR-RYEVTAHJSA-N 357.450 3.298 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O 587441366 SOUPYNUYTVBXGS-NYHFZMIOSA-N 357.365 3.443 0 1 FGAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587152328 ZLDIOYIXYCAHCN-SECBINFHSA-N 352.362 3.385 0 1 FGAF C[C@@H](c1ccccc1Cl)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225952381 VSPJHNXAOMARQG-NSHDSACASA-N 351.801 3.388 0 1 FGAF CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(O)cc1 1772643677 UTBSNYMKSTTWJO-UHFFFAOYSA-N 356.451 3.163 0 1 FGAF C[C@@H](CF)N1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 13835328 QWPPCJAQJNIVOY-KRWDZBQOSA-N 371.452 3.288 0 1 FGAF CC1(C)CCC[C@@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O 169729833 AHFYTUSXRFOCTM-HNNXBMFYSA-N 362.857 3.363 0 1 FGAF COc1ccccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C 1857563528 MSVPKQDSKCZHKJ-UHFFFAOYSA-N 374.510 3.279 0 1 FGAF Cn1cnc(-c2cc3nn[nH]c3cn2)c1-c1ccc(F)cc1OCC1CC1 1857769861 IJEOCHNJDZZTLK-UHFFFAOYSA-N 364.384 3.348 0 1 FGAF COc1cc(C(=O)c2cnn(-c3ccc(F)cc3)c2)cc(OC)c1OC 1857772256 GXZFWMRCCYBKGQ-UHFFFAOYSA-N 356.353 3.268 0 1 FGAF CN1CCc2c(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cccc21 114772099 XBAOURRPFQXJFT-UHFFFAOYSA-N 350.422 3.175 0 1 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2cn[nH]c2c1 117587217 BXSPUSPJJARXLA-UHFFFAOYSA-N 365.437 3.074 0 1 FGAF O=C(c1ccc2[nH]c(=O)cnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 117621158 SGSWRERAECMGHN-XLIONFOSSA-N 359.429 3.258 0 1 FGAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@H]1C=C2 27526090 FFANRVDNMWXPRW-DQLDELGASA-N 372.417 3.435 0 1 FGAF CC[C@@H](C)O[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272634 NJTPFBVLRXJXJH-MLGOLLRUSA-N 366.849 3.233 0 1 FGAF COC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 218993003 YHWFNQNYOCTCFY-UHFFFAOYSA-N 360.845 3.430 0 1 FGAF CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CCCCC1 45319554 ZJODONKHBNRCFC-IBGZPJMESA-N 370.449 3.380 0 1 FGAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H]1C 136322956 OJRBXDNIVPJMHE-LRDDRELGSA-N 361.463 3.496 0 1 FGAF CCO[P@](=O)(O)[C@@H](CCN(O)C=O)c1ccc(Cl)c(Cl)c1 72107856 QBFOWCDVFJALIB-LBPRGKRZSA-N 356.142 3.494 0 1 FGAF O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCCO 40421702 CHKRJVPBJCFFOL-UHFFFAOYSA-N 353.459 3.096 0 1 FGAF Cc1nccc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)n1 220968932 DXJJPGCPABJAIT-UHFFFAOYSA-N 360.417 3.335 0 1 FGAF CC(C)(O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O 147588713 PTMRRCYRWCHIPK-UHFFFAOYSA-N 354.435 3.365 0 1 FGAF C[C@@H]1CN(c2ncccc2F)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 96272423 RVRYMQWKKHZKBB-LFPRZYRFSA-N 357.473 3.474 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 253634692 UGPOMYIOAGJKAA-LLMFUEAVSA-N 355.478 3.206 0 1 FGAF CCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccccn1 473102901 LNOAIICGUFRMNV-YBEGLDIGSA-N 350.422 3.379 0 1 FGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1NC(C)=O 587385515 CVVIUXCJBBWHNN-HXUWFJFHSA-N 354.406 3.425 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NC(C)(C)C2)N1 587794297 LVILTYWXYSLXNO-FVMDXXJSSA-N 355.251 3.006 0 1 FGAF CC[C@H](C)c1ccc2[nH]c(C)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 587642906 PVQZABKRZAVGSV-JTQLQIEISA-N 370.409 3.144 0 1 FGAF COc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774314 MGDXUAMXWXMKAD-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF COC(=O)c1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 587113119 KFLCMGIFCHYVIR-NSHDSACASA-N 364.327 3.006 0 1 FGAF Oc1nc2cc3nc(-c4nc(Cl)cnc4Br)[nH]c3cc2[nH]1 587005890 YFVZKGHKFAADDP-UHFFFAOYSA-N 365.578 3.018 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 587154017 BNHLUUXRKASZEO-VOJFVSQTSA-N 359.788 3.484 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2c1 587133890 GTKAIHUHHXVATL-UHFFFAOYSA-N 352.362 3.310 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)O)cc2[nH]1 586983548 CRAQOUAZRBDSEH-LBPRGKRZSA-N 360.211 3.266 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccco1)C(=O)O 587617645 QCQYPPBQMCZQHB-OXQOHEQNSA-N 366.325 3.013 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@@H]2CCCC[C@H]21 587027010 OLCOEYNWJIAHTK-ZNMIVQPWSA-N 367.478 3.441 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ncncc12 587585953 IZFFAUAOECWLAP-RXVVDRJESA-N 360.369 3.376 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCOC)C(=O)OCC)CC2=O 587484561 SDBBEMDSLLEFJV-YWZLYKJASA-N 364.438 3.284 0 1 FGAF Fc1cc2c(c(Cc3nc4cncc(Br)c4[nH]3)c1)OCOC2 587171323 MFBKVTUEGHXENS-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587582942 PRUALVWXEFZLOU-AVBTWRTFSA-N 365.385 3.105 0 1 FGAF CCOC(=O)C[C@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587516988 YSMPQIKZACMKSH-NRFANRHFSA-N 368.433 3.113 0 1 FGAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(F)cc2[nH]1 587181927 IGQGCGDWYOXYQX-MRVPVSSYSA-N 370.169 3.421 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnn1C 587866822 QDNXSACORKUCJJ-UHFFFAOYSA-N 364.327 3.390 0 1 FGAF COc1ccc([C@@H](C)NC(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)cc1 12099324 VPJCGSDCXMVOJX-BFUOFWGJSA-N 356.397 3.399 0 1 FGAF Cc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCOCC2)c1 169351798 ZOSDNSRSQCTPID-UHFFFAOYSA-N 363.461 3.216 0 1 FGAF O=S(=O)(c1ccccc1)c1cnc2cc(F)ccc2c1N1CCOCC1 201535145 IHQOQKKKUCZIRT-UHFFFAOYSA-N 372.421 3.043 0 1 FGAF NCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 1857601944 WULJYEVSNWBPFW-SFHVURJKSA-N 365.506 3.399 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742857 RSCCYLZMGZEXKU-HWRSSNJWSA-N 362.355 3.250 0 1 FGAF COc1ccc2cc3[n+](cc2c1OC)CCCc1cc2c(cc1-3)OCO2 226137323 LBPORLHQZOTKGA-UHFFFAOYSA-N 350.394 3.486 0 1 FGAF COc1ccc2nc(C[C@H]3CN(CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302652 KSYPWVDWSYBTMU-CABCVRRESA-N 359.470 3.183 0 1 FGAF O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1 4035558 MVGHZDGEOYWKBY-UHFFFAOYSA-N 369.852 3.167 0 3 FGAF C[C@@H]1CCC[C@H](NC(=O)CCCN2C(=O)CSc3ncccc32)[C@@H]1C 6802680 HRWMKASSJPDAMX-KFWWJZLASA-N 361.511 3.241 0 1 FGAF CCOC(=O)c1ccc2c(c1)CN1CN2Cc2cc(C(=O)OCC)ccc21 103179882 IMGULCKINNGNIT-UHFFFAOYSA-N 366.417 3.338 0 1 FGAF O=C(CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 64527848 MMJDFNIISSBVBD-UHFFFAOYSA-N 373.459 3.239 0 1 FGAF COC(=O)C1=C2[C@@](C)(C(=O)OC)CCC[C@@]2(C)c2cc(C(C)=O)ccc21 2356703100 LQPOHALBCNGILQ-SFTDATJTSA-N 356.418 3.450 0 1 FGAF Cc1ccc(C)c(-c2nc(Cn3cnc4onc(C)c4c3=O)c(C)o2)c1 21088754 NSRQQBQBTLSVOE-UHFFFAOYSA-N 350.378 3.321 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC(CO)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356784815 QGIFBSJPTOTBPS-CENPHQPOSA-N 350.455 3.171 0 1 FGAF Cc1ccc(C(=O)N2CCC[C@H]2c2nnn(-c3cccc(Cl)c3)n2)o1 34999334 JEPGUCWIUVNQSV-AWEZNQCLSA-N 357.801 3.194 0 1 FGAF O=C(NCCCn1ccnc1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72136641 PETXCMLNQGFOPO-UHFFFAOYSA-N 363.343 3.112 0 3 FGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1ccccc1 73167279 LXOMSRZWBMVSJL-LEWJYISDSA-N 354.402 3.259 0 1 FGAF COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1 14644584 DUTKEQCBGLKZRI-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1c3c(ccc1c2O)OCO3 14640895 UGUCEZIVNNWSAY-UHFFFAOYSA-N 364.309 3.340 0 1 FGAF biogenic Nc1cccc(C(=O)n2nc(C(=O)OCC(F)(F)F)c3ccccc32)c1 72177312 KVRJZYJXDLQRAB-UHFFFAOYSA-N 363.295 3.026 0 1 FGAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncsc21 220879868 FABZXBUDIWONKU-ZYHUDNBSSA-N 373.261 3.166 0 1 FGAF COc1ccc(CCNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1 82203913 KOAWXKZITCQDMQ-HZPDHXFCSA-N 356.470 3.062 0 1 FGAF CCOC(=O)C1=C(C)N2CC/C(=C\c3ccc(OC)cc3)C(=O)N=C2S1 653699591 GQVRUKVRMIATFW-SDNWHVSQSA-N 372.446 3.208 0 1 FGAF CC(=O)Nc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 587242932 ZPENZSSFOCLLSO-UHFFFAOYSA-N 363.190 3.409 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1OC 586905428 OFVVFJWKONMJSV-GFCCVEGCSA-N 356.378 3.296 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 587780946 AGWKATIURPXMIH-UHFFFAOYSA-N 358.781 3.289 0 1 FGAF COc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cn1 587029271 LBFNJAKIROESMI-UHFFFAOYSA-N 362.418 3.488 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587233244 KSQDBEFYIMIOHR-NWDGAFQWSA-N 359.426 3.495 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3cnc(Br)cn13)O2 587371301 FHKKNLJTEICUOZ-ZDUSSCGKSA-N 373.210 3.089 0 1 FGAF Cc1ccnn1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582580 QAQAMTOFMMWTOC-FXAWDEMLSA-N 350.374 3.318 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2CCF)N1 587716161 IPECBALGSMGZGO-VFZGTOFNSA-N 356.214 3.378 0 1 FGAF CCOC(=O)[C@H]1Cc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441220 JLALIRDUHGRRHR-DRSNIGMVSA-N 364.397 3.074 0 1 FGAF COc1cccc([C@H](C)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587932912 XAKMGTHKRHKJBH-CYBMUJFWSA-N 373.478 3.168 0 1 FGAF Cc1cnc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587006051 GDNDEBXSJQUPNE-UHFFFAOYSA-N 363.606 3.392 0 1 FGAF COc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(Cl)c1O 963022452 JFOCYYWTAAPRSP-YPMLDQLKSA-N 358.825 3.197 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H]4CC[C@@]35CCC[C@H]5[C@@]3(CCC(=O)O)[C@H]2[C@]1(O)CC[C@@]43C 1772643509 MUGPALRHVRSORL-MWTBWBHBSA-N 359.510 3.281 0 1 FGAF CN(CC[C@@H]1CCCCO1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 12761766 HXHWXWUNAKFCCM-SFHVURJKSA-N 371.481 3.249 0 3 FGAF COC(=O)C1=C(COc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 13125923 FJVAYWFOTDOMNM-KRWDZBQOSA-N 372.808 3.200 0 3 FGAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 13601566 PMILGTMYQZBIKM-FQEVSTJZSA-N 373.387 3.371 0 1 FGAF COc1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 13677020 GXLQSIWJJGDKMW-UHFFFAOYSA-N 367.401 3.217 0 1 FGAF CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 15078177 HOLYSQSUWILYIG-QGZVFWFLSA-N 368.481 3.087 0 3 FGAF Clc1c[nH]nc1-c1nc(-c2ccc(O[C@H]3CN4CCC3CC4)cc2)no1 1857586304 WDJFLBRUDOSWMH-HNNXBMFYSA-N 371.828 3.253 0 1 FGAF CNC(=O)c1cc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1 1857759414 NHGFWYNSFVVIPH-UHFFFAOYSA-N 364.283 3.302 0 1 FGAF C/C=C/CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 1631813 QBALMNLFHSAOQA-NSCUHMNNSA-N 350.461 3.227 0 1 FGAF O=C(NCc1cccc(Cl)c1)c1cccn2c(=O)c3sccc3nc12 2461833 WYUFQSHLQPJFSX-UHFFFAOYSA-N 369.833 3.493 0 1 FGAF O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 59185203 RXCCNNFHGNTSJG-OALUTQOASA-N 364.353 3.327 0 1 FGAF CCCc1cc(CCC)n2nc(S(=O)(=O)Cc3ccccc3)nc2n1 27427271 BAUYROWVZGSZBF-UHFFFAOYSA-N 358.467 3.003 0 1 FGAF COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(OC)c2)cc1 28567307 OXVYMZAJPRGSLF-KRWDZBQOSA-N 359.466 3.054 0 1 FGAF Cc1ccccc1-c1cc2nc(NCCN3CCCC3)n(C)c(=O)c2s1 61902237 IWGXIXCIMVVSNS-UHFFFAOYSA-N 368.506 3.478 0 3 FGAF CC(=CCC[C@H](C)CCO)C(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@H]2[C@@H]1C 2356664536 YRZCHFOUTWAZDC-IHCSERIDSA-N 351.531 3.497 0 1 FGAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3C=C12 504399400 IQLCNKFYAQMXOI-QRKMNUTDSA-N 373.493 3.060 0 1 FGAF biogenic CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccncc1 84732539 KLWGQBZRCNUPCY-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF O=S(=O)(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 49793880 LMUMWOWJRBMYMM-UHFFFAOYSA-N 364.898 3.285 0 1 FGAF COc1ccc(C(=O)n2ccc3cc(OC)c(OC)c(OC)c32)cc1O 95586908 NKVAGDPPCWOKOT-UHFFFAOYSA-N 357.362 3.070 0 1 FGAF CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H](O)[C@H]1N2C 253694912 WPSZKOIIDITBPV-IQVWLFHZSA-N 358.265 3.094 0 1 FGAF CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 653915670 RIVQPJFQZPPLAK-POSISGSJSA-N 367.323 3.160 0 1 FGAF CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 653724749 KFIJYBXSQREASD-KRWDZBQOSA-N 355.434 3.464 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C\c3ccccc3C(=O)O)nc2cc1OC 586881543 XHHVBMXQYPESTJ-FPLPWBNLSA-N 352.346 3.227 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cccc(C(=O)O)c3[nH]2)C(F)(F)F)n1 587094064 JELYTQWRWXRSSS-AWEZNQCLSA-N 371.340 3.019 0 1 FGAF O=C(O)CSc1ncccc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 586967290 TWWXXCSSRFEOMQ-UHFFFAOYSA-N 369.381 3.126 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 586952812 OCLKBBKOSTUMNQ-UHFFFAOYSA-N 358.467 3.030 0 1 FGAF O=C(O)Cc1ccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1 587560417 HOKHAWDZAFJEBR-UHFFFAOYSA-N 373.368 3.397 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586945929 OKJPDNMKMZQVSD-UHFFFAOYSA-N 373.356 3.199 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C(=O)C13CC3)O2 587393006 FHMPPLDUEFUEDD-QFIPXVFZSA-N 362.429 3.104 0 1 FGAF CCOC(=O)[C@]1(c2cc(F)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587384428 CYONRNVCFRHZOV-HXUWFJFHSA-N 373.380 3.149 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cnc4[nH]3)cc12 587038974 WDBQLHLHKBPZAK-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCC2)N1 587756174 QGRQZHRHFMAFLH-RFAUZJTJSA-N 355.251 3.080 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 587248941 ZXZJPOFPUJOPBG-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cnccn2)N1 587774696 NYECVNCGMZDWRN-QLJPJBMISA-N 350.235 3.370 0 1 FGAF COC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2n1 586977501 PZBSDKAWZPSNEU-UHFFFAOYSA-N 360.211 3.406 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCc3c1ccc(OC)c3N)N(C)[C@H](C)C2 962619809 HEZYDOZLKIZEFZ-MCMMXHMISA-N 368.477 3.361 0 1 FGAF C[C@]1(c2ccnc(Br)c2)c2ccsc2CCN1C(N)=O 962701595 BPTITCZGWWAJRM-AWEZNQCLSA-N 352.257 3.106 0 1 FGAF O=C(NCc1ccc(F)cc1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O 14958413 KSQXYHCHSNPQNL-UHFFFAOYSA-N 361.760 3.210 0 1 FGAF Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 101296992 NDWXGJDJKXDMOV-IYARVYRRSA-N 367.497 3.313 0 1 FGAF CCOC(=O)C1Cc2ccc3c4c(ccc(c24)C1)CC(C(=O)OCC)C3 1619895 JETDWSROFTXRBR-UHFFFAOYSA-N 352.430 3.396 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2cncc3ncccc23)c(OCCF)c1 114034540 DIQWFYKKWIDPGD-UHFFFAOYSA-N 361.398 3.017 0 1 FGAF N=C(Nc1ccccc1I)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100653372 DQLPGROTTLXECV-GIPNMCIBSA-N 355.223 3.416 0 1 FGAF CC(C)Nc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12 115624122 BOAAAMOBLDPUDX-UHFFFAOYSA-N 351.454 3.010 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 27640016 XEYBRNLFEZDVAW-PIDKQCLESA-N 352.471 3.251 0 1 FGAF Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4CCc4cccc2c43)no1 26167658 IFWCIVGXSJLUGE-GOSISDBHSA-N 359.385 3.482 0 1 FGAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@H](C)[C@@H](O)C=C2 2356608512 RCIOEOWZSQVXEU-ABAIWWIYSA-N 360.406 3.104 0 1 FGAF N=C(Nc1ccc2c(c1)OCC(=O)N2CCN1CCCC1)c1cccs1 113971546 LFKLDLHIJLFFAI-UHFFFAOYSA-N 370.478 3.007 0 1 FGAF CC(=CCC[C@H](C)CCO)C(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@@H]1C 2356664535 YRZCHFOUTWAZDC-BQKWTINTSA-N 351.531 3.497 0 1 FGAF O=C(NC1CC1)c1ccnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 71661548 TVMFPCHKVZXGDE-KRWDZBQOSA-N 357.841 3.205 0 1 FGAF CCN(C(=O)[C@H]1C(=O)c2c(Cl)cccc2N(C)C1=O)c1ccccc1 136022580 HVJWAZYLNCBKTB-INIZCTEOSA-N 356.809 3.168 0 1 FGAF COc1cc(OC)cc(-c2cnc3c(N4CCOCC4)snc3c2)c1 223271953 WSIJGGUUIVGEEW-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 261183122 WNBMQMMGBBWUOZ-JPSMLQDXSA-N 366.498 3.340 0 1 FGAF in-vitro NC(=O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299852689 WJIVDQUOECKURQ-AULYBMBSSA-N 353.451 3.209 0 1 FGAF CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)CC(=O)c2cc(C)cc(N)c2O1 587410141 VMLRLDNGZPJUAK-OAQYLSRUSA-N 365.385 3.361 0 1 FGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnccc2[nH]1 586939847 XTEGLLSYRZFDNO-HNNXBMFYSA-N 364.858 3.287 0 1 FGAF CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447990 GXANHJHTDUJITE-OXQOHEQNSA-N 372.442 3.152 0 1 FGAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774345 MRGZHIQYTMDMAV-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF Cn1ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581733 LWERLICALCUDTA-WIYYLYMNSA-N 362.385 3.319 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2ccc(Cl)c(C)c2[nH]1 587566229 BIMSSYMBYZZNBI-UHFFFAOYSA-N 368.861 3.444 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cnccn4)s1)[C@@H](C2)C3=O 587449386 AFZQUBQVHGIZNG-APPDUMDISA-N 351.387 3.097 0 1 FGAF N=c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2c[nH]1 587182899 PHHGVKNHQWLCJR-UHFFFAOYSA-N 370.581 3.295 0 1 FGAF COC(=O)[C@@H]1C=C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809042 PULLZIOPKWOZQE-YNHOBRIKSA-N 354.219 3.067 0 1 FGAF CN1CCc2cnn(C)c2[C@@]1(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1 963955278 OYJFERKFIXBVKK-DRSNIGMVSA-N 367.493 3.433 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)nc([C@H](C)O)c12 1772617366 NFAJWVTXHMEMSO-ZJUUUORDSA-N 373.388 3.042 0 1 FGAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1 13557556 VXPJJLAQADODBG-UHFFFAOYSA-N 373.748 3.124 0 1 FGAF CCCOc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1 13731441 NWVOTDQIZMJKRJ-MQVJKMGUSA-N 353.466 3.379 0 1 FGAF OCCN(Cc1cccs1)c1nncc(-c2cc3ccccc3o2)n1 14981757 QJYXKGCYRXHQQM-UHFFFAOYSA-N 352.419 3.345 0 1 FGAF CC[C@@H](COC)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166052961 SBHZPZZEKDPIJR-SFHVURJKSA-N 367.449 3.389 0 1 FGAF CCOc1cc(-c2c(-c3cc(-c4cnn[nH]4)ccn3)ncn2C)ccc1F 1857772674 JYWWWRWPSHBPRZ-UHFFFAOYSA-N 364.384 3.472 0 1 FGAF NC(=O)c1cccc([S@@](=O)[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363751 HQXYMUSPACPKSH-QPHCBKPXSA-N 368.502 3.089 0 1 FGAF CC(=O)O[C@H]1C[C@H]2/C=C\CCC[C@H](C)OC(=O)/C=C/[C@@H](OC(C)=O)[C@@H]2C1 29226871 ILLPGJFSCLASDH-AXVQZLFFSA-N 364.438 3.104 0 1 FGAF O=C(C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccccc1)C1CCCCC1 27558542 PSLOTOCMSPTZQN-LJQANCHMSA-N 371.477 3.303 0 1 FGAF CN1C(=O)[C@](C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 26189622 KRYKJSKXDBEMED-OAQYLSRUSA-N 369.896 3.349 0 1 FGAF O=C(Cc1ccccc1)OCCc1scnc1C(=O)Nc1nccs1 28457620 KNNFVOVDRZJBQG-UHFFFAOYSA-N 373.459 3.180 0 1 FGAF Cc1ccc(C(=O)N[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 61945306 ZZDMLSDPEFJYDE-OAHLLOKOSA-N 351.324 3.440 0 3 FGAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccccc1F 28520388 BQNZPWGLMFRZRQ-AWEZNQCLSA-N 373.453 3.402 0 1 FGAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@H]2C)cc1 72139396 OLMZXXONJXEDFB-KUHUBIRLSA-N 368.433 3.332 0 1 FGAF CC(C)N(CC[C@@](CCN(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C 39254146 BZZWTVXXGMTZOC-HXUWFJFHSA-N 351.510 3.009 0 1 FGAF c1ccc(-c2nnn[nH]2)c(-c2ccc(Cn3cnc4cccnc43)cc2)c1 70718890 HXZMVMJATBUTLE-UHFFFAOYSA-N 353.389 3.327 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081406 NAUDDJXOEPXWNS-CYBMUJFWSA-N 361.467 3.172 0 1 FGAF CC(C)[C@]12C=C3[C@H](O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 85666098 NVIRVAAOVXZOTN-YSDUZXLGSA-N 350.455 3.464 0 1 FGAF O=C1Nc2nc(N[C@H]3CC[C@@H](O)CC3)ncc2CN1c1ccccc1Cl 149960964 NSHBSERFNQQOCC-JOCQHMNTSA-N 373.844 3.398 0 1 FGAF COC(=O)[C@H]1C[C@@]23[C@H]4[C@H]5CC[C@]2(C)[C@H]2CC[C@@H]6CC[C@@H]1[C@]63O[C@H]2N4C[C@@H]5C 255201899 CEQVGXCTIZDWKR-SXFIDSFTSA-N 371.521 3.447 0 1 FGAF COC(=O)c1cccc(N2CCc3c(Br)cccc3C2=O)c1 621476488 FAMCOMYUXOFOOM-UHFFFAOYSA-N 360.207 3.439 0 1 FGAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@H](C)[C@H](O)c1ccc2c(c1)OCO2 40413597 OVWAGJLFSLWWFE-HIGYNYDNSA-N 358.390 3.183 0 1 FGAF biogenic C[C@@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 587153826 AHAKIRKGDSDPFB-SFHVURJKSA-N 357.316 3.330 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(C)c2)(C(F)F)N1 587719371 QKMYTXXRTMIWPP-ANRSDYALSA-N 374.204 3.365 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1C)[C@@H](C2)C3=O 587421000 JFWCYIHCYGVTJQ-BONVTDFDSA-N 352.312 3.245 0 1 FGAF CCCc1nc(-c2nc3cc(CO)ccc3[nH]2)nn1-c1ccccc1F 587155807 HNRQGVBMQLFIHB-UHFFFAOYSA-N 351.385 3.395 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(OC)c(Cl)cc3[nH]2)cc1 586920877 SYJXVNWJWUHVHI-UHFFFAOYSA-N 366.826 3.207 0 1 FGAF Cc1[nH]c(=N)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612233 LHVJALYGAHGBKG-KUHUBIRLSA-N 368.414 3.447 0 1 FGAF COC(=O)c1cccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587436747 AMIJUXBJZUGTRY-JLTOFOAXSA-N 363.369 3.452 0 1 FGAF O=C(CN1CCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661485 PMCZQNRPQUCXHX-UHFFFAOYSA-N 365.408 3.329 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587174551 KPQWRWAYPSFDKB-ZDUSSCGKSA-N 356.332 3.263 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587150666 OGHUUMASOIVODJ-VQHVLOKHSA-N 363.389 3.262 0 1 FGAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 586911823 MIFCLOJYAJUMSW-PBHICJAKSA-N 365.499 3.266 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587236318 UOOYXNBOUGELBU-ZJUUUORDSA-N 366.259 3.210 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587202218 GPYNAMFGGJZFRP-LBPRGKRZSA-N 374.784 3.054 0 1 FGAF COCCC[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798541 YPSNHOYGYSTLHI-MEDUHNTESA-N 360.267 3.391 0 1 FGAF CC(C)[C@](C)(O)c1nc2c(I)cnc(Cl)c2[nH]1 586891170 SZNRRFQFNXXPBD-NSHDSACASA-N 365.602 3.079 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@]3(CC(C)(C)Oc4ccc(O)cc43)c3cccc1c32 963022453 JGUTUXRWJBKZDV-DMZKTXOQSA-N 364.445 3.250 0 1 FGAF Cc1cccc(NC(=O)C[C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c1 962926455 OYKXTOKPSSVYGY-JOCHJYFZSA-N 365.477 3.087 0 1 FGAF FC(F)(F)c1cccc2c1[C@]1(CCc3n[nH]cc31)NCC21CCOCC1 962949979 DPGKQDZEYQUKPN-GOSISDBHSA-N 363.383 3.270 0 1 FGAF Cc1c(F)ccc2c1[C@]1(CCNc3nc(Br)ccc31)NCC2 962148237 RWJZPOBMBIXNJA-QGZVFWFLSA-N 362.246 3.497 0 1 FGAF CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3[nH]cnc23)CC1 13491759 KJLIUORHDUVISB-UHFFFAOYSA-N 363.893 3.040 0 1 FGAF CCCC1(CCC)C(=O)OC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 13558768 QUXOCSBZNXYZIC-CQSZACIVSA-N 359.875 3.130 0 1 FGAF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 158289171 IOPBGRHISQTQKP-PIXLFUSGSA-N 360.406 3.103 0 1 FGAF biogenic COc1ccc(S[C@@H]2CCc3ccccc3N(CC(=O)O)C2=O)cc1 53229395 DKNGJBYTIKXWCZ-QGZVFWFLSA-N 357.431 3.220 0 1 FGAF NCCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 59125155 MPEXHDSIFAAJAL-OAQYLSRUSA-N 371.912 3.313 0 1 FGAF in-vivo COc1cc(OC)c2cc(-c3ccc(OC(C)=O)cc3)c(=O)n(C)c2c1 26572562 DPKRAOIUIBYOGG-UHFFFAOYSA-N 353.374 3.148 0 1 FGAF COc1cc([C@H](OC(=O)c2ccc3c(c2)OCO3)[C@@H](C)[C@@H](C)O)ccc1O 2356618462 UZPAQQKUESDTHD-AVCJSFLBSA-N 374.389 3.045 0 1 FGAF Cn1c2c(c3ccc(S(=O)(=O)c4ccccc4)cc31)[C@H]1CC[C@@H](C2)N1 73197835 KJKURLQGTARUPM-SUMWQHHRSA-N 352.459 3.360 0 1 FGAF O=C1NC(=O)c2cc(Nc3cccc(O)c3)c(Nc3cccc(O)c3)cc21 73169904 VBXMMKOVEQTSID-UHFFFAOYSA-N 361.357 3.469 0 1 FGAF Cn1c(-c2ccc3nccnc3c2)c(-c2ccc3[nH]ccc3c2)c(=O)n1C 45391140 QNNUGNFJQHMMRK-UHFFFAOYSA-N 355.401 3.482 0 1 FGAF O=Cc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 75830255 BDJMEBJDOGYIRK-UHFFFAOYSA-N 373.412 3.266 0 1 FGAF CCCCNc1nc(N2CCC[C@@H](CO)C2)nc2cc(OC)c(OC)cc12 82129198 XHPRFLNGMLLRSP-CQSZACIVSA-N 374.485 3.068 0 1 FGAF COc1cc(OC)c2c(-c3ccc(OC)c(OC(C)=O)c3)cc(=O)oc2c1 49785275 OLLMJPBPOQUGCJ-UHFFFAOYSA-N 370.357 3.411 0 1 FGAF CNc1nc2cnc(Nc3ccc(S(C)(=O)=O)cc3)cc2n1CC1CC1 82083218 MNOAZUAJZLZBEY-UHFFFAOYSA-N 371.466 3.030 0 1 FGAF CC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1[C@H]1CC[C@H]2C1 146935281 ONXVTPOVOMMROX-RYUDHWBXSA-N 359.857 3.391 0 1 FGAF CC(C)(C)c1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)no1 147708817 MSPIIJQNGRPYLL-UHFFFAOYSA-N 366.421 3.313 0 1 FGAF CC(C)Cc1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299876350 FNQJXOZANFNETO-IFXJQAMLSA-N 366.465 3.487 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C1(C)C)O2 587391982 QAFIBDODNRPNFA-FQEVSTJZSA-N 374.437 3.227 0 1 FGAF COC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811293 WJJQBKNMDUVSRC-XXFAHNHDSA-N 356.235 3.291 0 1 FGAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587061359 FDRMFBXXOTVKOP-AWEZNQCLSA-N 365.842 3.394 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587430182 ZAZUYYFCXLUQOO-LRXVAGHRSA-N 367.420 3.425 0 1 FGAF CC(=O)OCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587514473 AAAUVXMKMUMYDK-IBGZPJMESA-N 354.406 3.032 0 1 FGAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443263 NCVFWORUEQCHIC-GZOOOWMASA-N 366.413 3.233 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(N)=O)s2)N1 587849215 RGYNIDMUVLACFT-JKYUHCHBSA-N 369.259 3.372 0 1 FGAF N[C@H]1CC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587246410 IKTKAPVKOZYSQK-FSPLSTOPSA-N 350.138 3.429 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ncncc12 587585952 IZFFAUAOECWLAP-NQIIRXRSSA-N 360.369 3.376 0 1 FGAF COc1ccc(OC)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1OC 587792521 IVECAQGQXYXGST-UHFFFAOYSA-N 354.288 3.016 0 1 FGAF COc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1F 587009094 VAUVOKKVWCYXBE-UHFFFAOYSA-N 362.162 3.183 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](c1ccc(OC)c(OC)c1OC)CO2 685935635 QMTUOLDQDLDOEZ-ZDUSSCGKSA-N 374.389 3.089 0 1 FGAF biogenic,in-vitro CCn1cc(-c2cc3ccccn3c2[C@@H]2c3c(cnn3C)CCN2C)cn1 963953731 DBHTWPPPLJPGNJ-NRFANRHFSA-N 360.465 3.134 0 1 FGAF FC(F)(F)c1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)ncn1 146194807 XMCASRLSICXHCY-UHFFFAOYSA-N 364.331 3.025 0 1 FGAF CC(C)n1nc(-c2ccc3nc(OC4CCC4)ccc3c2)c(C(N)=O)c1N 1772618989 WKERXIMXKDSXPX-UHFFFAOYSA-N 365.437 3.292 0 1 FGAF CN(C)c1ccc(C(=O)N=c2nc3cc(-c4ccccc4)ccn3[nH]2)cc1 1857592246 DOPXPFSYXXVYIM-UHFFFAOYSA-N 357.417 3.137 0 1 FGAF CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)c1 1857614336 BKBVALZHATWTNB-UHFFFAOYSA-N 356.385 3.365 0 1 FGAF COc1cc(-c2cnc3c(N4C[C@@H]5CC[C@H](C4)O5)snc3c2)ccc1N 1857630988 DLXISWMEXCHAGG-OKILXGFUSA-N 368.462 3.317 0 1 FGAF CCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccc(C(=O)O)cc1 2001613 YTZUVODZZOXRCD-UHFFFAOYSA-N 350.802 3.253 0 1 FGAF CCOC(=O)[C@@](CC)(CCC/C=C/I)C(=O)O 27854741 HUMCKQQTPUBJJQ-CRALRDPISA-N 354.184 3.150 0 1 FGAF CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 28017265 OHUGUDLAWZZRCF-LBPRGKRZSA-N 357.376 3.223 0 1 FGAF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSc1ncccc1O)C(=O)O 26026319 JHEDEOKFVYJLEE-BPLGCGBFSA-N 364.467 3.180 0 1 FGAF CC(C)C[C@H]1n2cncc2CN(Cc2ccc(Cl)cc2)S1(=O)=O 62224211 SLIFTHAOQMHZDP-INIZCTEOSA-N 353.875 3.427 0 1 FGAF CN1CCN(CCCn2c3ccccc3c3nc4ccccc4nc32)CC1 31848218 BYKBEHQLAKULMP-UHFFFAOYSA-N 359.477 3.375 0 1 FGAF CCCNC(=O)c1cc(-n2cc(-c3cc(F)cc(F)c3)nn2)ccc1O 71318180 IQIWCYYEXSPPAR-UHFFFAOYSA-N 358.348 3.058 0 1 FGAF CCCNC(=O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CC 8299888 WDGYAWFLDUJEGO-KBPBESRZSA-N 351.878 3.140 0 1 FGAF biogenic c1ccc2sc(COc3ccc(OCCCc4nnn[nH]4)cc3)nc2c1 36268553 WDPPBFVYYDSIJZ-UHFFFAOYSA-N 367.434 3.400 0 1 FGAF COc1ccc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@H]2C)cc1OC 13340376 CPAGSSOMSLQZRD-IIBDXVJDSA-N 374.433 3.364 0 1 FGAF biogenic COc1ccc(C)cc1C(=O)NCCCN1CCN(C2CCCCC2)CC1 72120011 RBDZQHUYRIXNAA-UHFFFAOYSA-N 373.541 3.074 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccoc3)cc2)c2c(c1=O)[C@@H](O)CCC2 49072615 CKYQRQFEBHFWRU-SFHVURJKSA-N 365.385 3.225 0 1 FGAF CCOc1ccc(F)c(-c2nc(C)c3nnc4ccc(OC)nc4n23)c1 84689567 CMRKQOBLHMEDQF-UHFFFAOYSA-N 353.357 3.194 0 1 FGAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](F)C3)[C@@H]2CC1 299815768 WKRMJUBFJICRIL-DGYXETDDSA-N 351.462 3.256 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(Br)ccnc1F)[C@@H](C2)C3=O 587427972 MLFMQPHHFSCMQL-BJOHPYRUSA-N 364.170 3.481 0 1 FGAF CN(Cc1nc2cccc(C(C)(C)C)c2[nH]1)S(=O)(=O)c1cccnc1 586929101 RQNFWLZWFWJBQG-UHFFFAOYSA-N 358.467 3.076 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452034 CQKPRLWPLIQQNB-JLTOFOAXSA-N 356.374 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccco1)([C@H](O)c1ccco1)[C@@H](C2)C3=O 587455752 QDQAEWXAGOICBZ-SVIJTADQSA-N 352.342 3.258 0 1 FGAF CCO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391562 VENMMLGOXLRWSS-SZNDQCEHSA-N 354.450 3.494 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccnn1C)CC2=O 587474860 HZWGKNFAFZMPJT-ZZLBYYGFSA-N 355.438 3.014 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](OC)O1 587833874 PQZAXSQWCLBMSO-YDCQJYEZSA-N 374.250 3.145 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(F)c1C(=O)O)[C@@H](C2)C3=O 587424424 NZDAJRFPUPUCFA-OVWNDWIMSA-N 360.312 3.334 0 1 FGAF Cc1c(F)ccc2c1[C@H](c1cnn3cc(Br)cnc13)NCC2 962295259 CZFNQAWJCMBVRO-HNNXBMFYSA-N 361.218 3.174 0 1 FGAF COCCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772637114 XIGYLBQIDVJYAA-LLVKDONJSA-N 372.404 3.038 0 1 FGAF CCC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@@H]2CC[C@H]1N2 13439753 NPUPASYITYXDSJ-NHIYQJMISA-N 369.246 3.494 0 1 FGAF S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 169306286 UKGCMHSGRPNWOO-INDMIFKZSA-N 364.518 3.167 0 1 FGAF CCCCC(=O)Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 201472516 VHRBCJXLOOGMIB-KRWDZBQOSA-N 368.433 3.385 0 3 FGAF COc1ccc([C@@]2(O)COc3c(ccc4c3C=CC(C)(C)O4)C2=O)c(O)c1 201253240 JAIJYLCLNSGAMU-NRFANRHFSA-N 368.385 3.048 0 1 FGAF C[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 205817752 HLMDCYKYQXQYEE-SECBINFHSA-N 369.204 3.201 0 1 FGAF Clc1ccccc1CN=c1[nH]c(=Nc2cn[nH]c2)[nH]c2ccccc12 1857554411 HZDLGHZGQLJWAV-UHFFFAOYSA-N 350.813 3.206 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)nc2ccccn12 1857600280 UUMPGABWAOSDIP-UHFFFAOYSA-N 358.348 3.005 0 1 FGAF Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1 2722180 LEOHWPSDAXSDKC-UHFFFAOYSA-N 356.447 3.208 0 3 FGAF CC(=O)C[C@@H]1OC(=O)C2=CCC[C@H]([C@@H]3C[C@@H](c4ccoc4)OC3=O)[C@@]21C 2356402724 OHWWUONSFYAWNR-ACSCVQKFSA-N 358.390 3.131 0 1 FGAF CCCc1nc(SC)ncc1C(=O)NCCCN1CCCC[C@H]1C 6938460 XDWVIOIUYZMSTK-CQSZACIVSA-N 350.532 3.145 0 1 FGAF Cn1c(SCC(=O)NC2CCCCC2)nc2c3ccccc3nc-2c1O 100705083 CISJRONNKHWGMM-UHFFFAOYSA-N 370.478 3.320 0 1 FGAF Cc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(-c2ccccc2)n1 101550397 ICGDNCVFXSZQPO-ZGDYKOMESA-N 363.461 3.121 0 1 FGAF CCSc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)O 103177863 YWKALUXDFVQTEL-UHFFFAOYSA-N 352.437 3.455 0 1 FGAF Cc1nnc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)s1 102806951 LFLLNCWGLQCCJN-UHFFFAOYSA-N 361.477 3.228 0 1 FGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(CC2CCCCC2)CC1 117386327 SYMNHJRZNBFYRC-OAHLLOKOSA-N 369.509 3.347 0 1 FGAF CCC[C@@H](CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)O 34803246 XLWZIHIVUQLEGZ-ROUUACIJSA-N 361.482 3.158 0 1 FGAF NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1 35876697 AWQPLLDNLLNCKK-UHFFFAOYSA-N 360.826 3.188 0 1 FGAF CC(C)(C)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c(C(N)=O)c1N 221703686 WFGZCBMYRMUNLE-UHFFFAOYSA-N 365.437 3.076 0 1 FGAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82195415 OHXYBZVWYUAKGM-INIZCTEOSA-N 363.458 3.071 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccoc3)cc2)c2c(c1=O)[C@H](O)CCC2 49072617 CKYQRQFEBHFWRU-GOSISDBHSA-N 365.385 3.225 0 1 FGAF CC(C)(CO)CCCNc1cncc(Oc2ccc(-n3cncn3)cc2)n1 82068451 ULAIOCHHFCUTNS-UHFFFAOYSA-N 368.441 3.060 0 1 FGAF CC(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 96018984 PDUSZJOKFQDQEP-AEFFLSMTSA-N 357.516 3.032 0 3 FGAF O=C(c1ccc(NCc2ccccc2)cc1)N1CCN(c2ncccn2)CC1 299825263 DZUCBXJLKUSLEV-UHFFFAOYSA-N 373.460 3.051 0 1 FGAF O=C(O)c1ccnc(-c2cc(NCc3cccc4c3OCO4)ccc2O)c1 653719546 MEOSUZPVXMAFHJ-UHFFFAOYSA-N 364.357 3.493 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587042916 NMZARWUWIQQGGI-AWEZNQCLSA-N 358.467 3.068 0 1 FGAF CCCCOc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586911250 WYBPDLFYMBBZAP-NSHDSACASA-N 369.259 3.462 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(C1CCNCC1)[C@@H](C2)C3=O 587429961 YCSVVRAMHDSLSP-PGRDOPGGSA-N 367.420 3.477 0 1 FGAF Nc1ccccc1-c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587249411 LQHWMAINFBGTRF-UHFFFAOYSA-N 364.430 3.127 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586944941 SPTWGVNUVBFYRI-UHFFFAOYSA-N 374.249 3.487 0 1 FGAF C=CN1CCCC[C@H]([C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396591 UKTYVBJUVNNABU-HRAATJIYSA-N 354.450 3.463 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Oc1ccccc12 587840752 JNVMQRYLQSSSHD-XLFHBGCDSA-N 362.198 3.285 0 1 FGAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587154773 DTYGIFGXSAYRCN-UHFFFAOYSA-N 363.190 3.228 0 1 FGAF CCc1nc2ccccc2n1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587653115 QEQIZSHYOLJXBV-UHFFFAOYSA-N 366.808 3.302 0 1 FGAF COC(=O)c1cc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2cc1OC 587059124 NVVXFSBFNBCMPA-ZDUSSCGKSA-N 359.813 3.254 0 1 FGAF Cc1cnc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963033877 VLOJHDCBKKJTGK-ZMZPIMSZSA-N 372.266 3.295 0 1 FGAF COC(=O)[C@H]1C(C)(C)CC(N)=C[C@@]12NCCc1c(Cl)cc(Cl)cc12 963104091 HBYCEZSDAWBZHL-YJBOKZPZSA-N 369.292 3.396 0 1 FGAF CC(=O)[C@@H]1CCC(C)=C[C@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971109 GXRBZPSBPDDUHF-FVMIAERFSA-N 369.795 3.358 0 1 FGAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 13601568 PMILGTMYQZBIKM-HXUWFJFHSA-N 373.387 3.371 0 1 FGAF C[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 169289562 BIZMIUGITFUEIN-WSDJISKNSA-N 353.462 3.047 0 1 FGAF CNc1nc(Nc2cnn3c2[C@H](C)OCC3(C)C)ncc1C(F)(F)F 205903073 JYMOUYFNCWICDR-QMMMGPOBSA-N 356.352 3.304 0 1 FGAF CN[C@@H]1[C@H]2C=C[C@@]34[C@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@@H]12 2356355470 FBFPTUVKXJCALB-WINQNPMXSA-N 357.538 3.403 0 1 FGAF CS(=O)(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956106 PDWXTZHIIUJYJF-UHFFFAOYSA-N 356.491 3.215 0 1 FGAF N[C@H]1CC[C@H](Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1 101419189 SEAHTYRLTWEUCM-OKILXGFUSA-N 352.394 3.270 0 1 FGAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3C[C@@H](C)NC[C@@H]3C)[C@@H]12 28004537 IOQZWNCABFVBOY-LMUFRBMOSA-N 362.558 3.453 0 1 FGAF CC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1cccs1 103205745 NLNZGCBPAUKTMG-SFHVURJKSA-N 355.463 3.282 0 1 FGAF COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1 103237513 AZXKWXPHQAJYEW-OSYLJGHBSA-N 370.449 3.222 0 1 FGAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N(C)Cc2cccnc2)cc1 2356295443 VPVWUKTZMZAGQH-CYBMUJFWSA-N 367.405 3.071 0 1 FGAF c1cc2c(cc1-c1cn3c(n1)CO[C@H](CNC1CCCC1)C3)OCCCO2 2356299673 LJOWTINNHDIVPO-QGZVFWFLSA-N 369.465 3.142 0 1 FGAF C[C@H](C(=O)N(C)C1CCCCC1)C1(O)CCN(Cc2ccccc2)CC1 27555520 IGVFGDGPHHDASQ-GOSISDBHSA-N 358.526 3.441 0 1 FGAF CCC[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)Nc1ncc(C(C)C)s1 28827429 RQDNLKKGYGNSAR-NSHDSACASA-N 353.488 3.105 0 1 FGAF CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356702882 ZMZWVJLMOBCSEP-GWKIZSTFSA-N 360.450 3.091 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCCN2C(=O)CO 36080172 LIKBOJNXLDAXPE-AJHHATNJSA-N 363.542 3.353 0 1 FGAF CC1(C)OC[C@@H](Cn2cc(CSc3nc4ccccc4s3)nn2)O1 73198458 JCHJXPDTGJVERR-GFCCVEGCSA-N 362.480 3.332 0 1 FGAF Cn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1 71341566 KLCIVXUAMVFAFQ-UHFFFAOYSA-N 353.401 3.201 0 1 FGAF COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F 40423898 MHSIRMSFRHMBDY-UHFFFAOYSA-N 355.373 3.052 0 1 FGAF Cn1c(-c2ccc(C3=NCCN3)cc2)ccc1-c1ccc(C2=NCCN2)cc1 221719919 GHJFVIBMBMROMG-UHFFFAOYSA-N 369.472 3.059 0 1 FGAF COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cn3)noc2C)nc1 142898691 UIESIDBIPPSKRK-UHFFFAOYSA-N 359.769 3.459 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@@H](c1cc(OC)c(OC)cc1OC)CO2 238785292 NLZJUUUCOYCLBI-CYBMUJFWSA-N 374.389 3.089 0 1 FGAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@]2(O)C[C@@H]3[C@@H]4C[C@]12C[C@@]43C 95909225 GSBOBEMEYQTIDQ-XAGLKTLTSA-N 362.510 3.294 0 1 FGAF biogenic,in-vitro COc1cccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c1OC 96282994 HOETUZCVUFCUGK-UHFFFAOYSA-N 350.378 3.415 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@H](C)/C(=C\C(=O)O)CC3 238778209 AGSAINARGNMCLQ-WNJZFYJVSA-N 362.466 3.474 0 1 FGAF COc1cc(C(=O)Nc2ccc(-c3cccnc3)cn2)cc(OC)c1OC 299832419 LVLWKJGRNCLKJZ-UHFFFAOYSA-N 365.389 3.422 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3n[nH]cc32)N1 587794996 MYQCEFWWFKONLT-XXFAHNHDSA-N 350.235 3.425 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(Cl)cc21 587378727 DKSORGAVFAQSCR-LJQANCHMSA-N 371.776 3.452 0 1 FGAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587422981 WKMBOOFNAMEHPQ-AEDCBLDQSA-N 366.360 3.180 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587442398 WIJNGLQARKHXKD-XAILHKCVSA-N 354.358 3.036 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cnc1F)[C@@H](C2)C3=O 587427061 GOPUZFDBKNCUIQ-ZUZCIYMTSA-N 364.170 3.481 0 1 FGAF CCOC(=O)C[C@H](C(=O)OCC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522245 GLDHTPKHYGAKSS-FUHWJXTLSA-N 374.433 3.032 0 1 FGAF COc1cc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2cc1Cl 586950241 DHXMAAIRNAPGMD-UHFFFAOYSA-N 351.815 3.263 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccccc2)N1 587827007 MLGROJXASMOSDU-DIFFPNOSSA-N 350.231 3.358 0 1 FGAF Cn1cnc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962961302 RNQBOKUNEKFRCD-INIZCTEOSA-N 351.372 3.180 0 1 FGAF O=S(=O)(c1ccc(O)c2ncccc12)N1CCc2ccc(Cl)cc21 1772650066 MIVKBAFIERDSEX-UHFFFAOYSA-N 360.822 3.345 0 1 FGAF COC(=O)c1cc(C(=O)OC)cc(-c2cc(=O)c3cc(C)ccc3o2)c1 13491206 WPXPNPSSIAWITC-UHFFFAOYSA-N 352.342 3.342 0 1 FGAF O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)n1cccn1 13756411 ABZKSRGAHPSUSI-AFMYVXGZSA-N 351.450 3.316 0 1 FGAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1nccs1)c2=O 1857534871 SEYLXJIUDZYHOU-UHFFFAOYSA-N 350.831 3.062 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3cnsn3)CC2)CC1 1857548798 ZHUZUZXSVCVOKQ-INIZCTEOSA-N 373.526 3.180 0 1 FGAF O=C(NC1CC1)c1csc([C@H](O)c2cccc(OC(F)(F)F)c2)n1 1857582440 NLVWVIPVFAGZFB-GFCCVEGCSA-N 358.341 3.016 0 1 FGAF Cc1ccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1 225947697 VMAUOSFBQMHMCI-UHFFFAOYSA-N 350.422 3.084 0 1 FGAF O=S(=O)(Nc1ccccc1S(=O)(=O)c1ccccc1)c1ccccc1 1658363 JLXKFEGDJFIZRY-UHFFFAOYSA-N 373.455 3.320 0 1 FGAF COc1ccc([C@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 6522666 OEWOSWUCYUHMQM-IBGZPJMESA-N 357.431 3.124 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@H]1O)[C@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 59729443 CWGQQELECQFCDS-SMHULIPUSA-N 368.385 3.099 0 1 FGAF COCC(=O)[C@@H]1CC[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 2356390174 SLMVROKGKGNOBN-IUZXTYFMSA-N 364.526 3.193 0 1 FGAF N[C@H](Cc1cc(F)ccc1F)C1CCN([C@@H]2CCC[C@H](C(=O)O)C2)CC1 66075814 OUYYJIKUXWSIGZ-POZUXBRTSA-N 366.452 3.190 0 1 FGAF COc1ccc(OC)c(-c2noc(NCc3ccc4c(c3)OCO4)n2)c1 20930305 LAVJPOKYLLTMCT-UHFFFAOYSA-N 355.350 3.095 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2[C@H]1O 2356531815 MZQAWNWYBXNFSG-NHVSEQIPSA-N 362.466 3.313 0 1 FGAF COc1cc(O)cc(C[C@H]2COC[C@@H]2C(=O)c2ccc(OC)c(OC)c2)c1 2356575358 KISYUAZBKVYACA-YJBOKZPZSA-N 372.417 3.106 0 1 FGAF Fc1cc(-n2nnc(-c3ccccn3)n2)cc(-n2ccc3ccncc32)c1 28456551 GQWRVXBZTABPHJ-UHFFFAOYSA-N 357.352 3.202 0 1 FGAF COCC(COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 34570450 GLWMICMMPDZWDR-UHFFFAOYSA-N 365.861 3.399 0 1 FGAF CC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 36351237 NOLJLNJGSNBJHE-ZWKOTPCHSA-N 351.922 3.184 0 1 FGAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1O)C(=O)OC3 14640971 IFYIHGHEIRCOSQ-UHFFFAOYSA-N 366.325 3.326 0 1 FGAF biogenic COc1cc(OC)c2c(c1)OC[C@H](c1ccc(OC)c(OC)c1OC)C2=O 14645824 FGJPFUFQGPZGNB-CYBMUJFWSA-N 374.389 3.089 0 1 FGAF biogenic O=P(O)(O)COc1ccc(-c2cccnc2)c2c1-c1ncsc1C2 45365597 NWTLEPFGQNCFDX-UHFFFAOYSA-N 360.331 3.290 0 1 FGAF CCN1CCN(CCCSc2nc(-c3ccccc3Cl)n[nH]2)CC1 96934123 UBXNWDHOFVCSJL-UHFFFAOYSA-N 365.934 3.245 0 1 FGAF COc1cccc(-c2cccc([C@@H]3C[C@H]3[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1 96933652 GIWQVXJEJNHEEC-JQVVWYNYSA-N 363.461 3.401 0 1 FGAF O=C(NO)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 96928936 FZDIAIRSRCBJMR-ZHACJKMWSA-N 367.430 3.454 0 1 FGAF O=C(CN1CCC[C@@H]2Cc3cc4c(cc3[C@@H]21)OCO4)Nc1ccccc1 299830110 MPGOCIONUJWYAH-SPLOXXLWSA-N 350.418 3.363 0 1 FGAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccccc2)cc1 653809976 FRLHQYBHNVGPBQ-SFHVURJKSA-N 367.430 3.283 0 1 FGAF O=C(c1nc2cc(Cl)ccc2s1)N1CCN(c2ccncc2)CC1 653850828 OGFFQQFPDPAAPZ-UHFFFAOYSA-N 358.854 3.307 0 1 FGAF COC(=O)CC[C@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525022 PBNXBDCCXAGYES-IERDGZPVSA-N 374.433 3.032 0 1 FGAF CCOC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401271 VMQVVXOUOJONJS-NRFANRHFSA-N 353.418 3.477 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCC(F)(F)F 587868918 WCJAKUBPXKITSN-UHFFFAOYSA-N 368.237 3.093 0 1 FGAF COCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587584933 CBRUAPBYSGUAIQ-APWZRJJASA-N 353.330 3.230 0 1 FGAF COc1cc(C(C)=O)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1 587944611 FYPWEFASRPEWQT-UHFFFAOYSA-N 357.385 3.389 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1 586937370 ZEWLXUGFNMRDEZ-UHFFFAOYSA-N 372.372 3.264 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587155507 NARABAKOBSTGNX-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CN1CCN(c2ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3c2)CC1 586881957 ZZRQOPSYBOTALH-TWGQIWQCSA-N 362.433 3.183 0 1 FGAF CC[C@@H]1OC=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587830013 DIAWEZYROLGJII-AUYAEMIRSA-N 354.219 3.209 0 1 FGAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO 587442569 QYFUSALUEZKCON-IERDGZPVSA-N 354.402 3.465 0 1 FGAF Cc1nccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774801 XXLWBZYPNMZNJR-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=O)O)cc2[nH]1 587065697 XRDBWGOZUJCBHB-UHFFFAOYSA-N 360.753 3.315 0 1 FGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588147 JRNLJZBHHNTRNR-APWZRJJASA-N 365.341 3.210 0 1 FGAF COc1ccc(F)cc1[C@]1(C(=O)O)c2ccc(F)cc2C[C@H]2CCCN21 963096288 DDTWTNMISIFAST-QRWLVFNGSA-N 359.372 3.322 0 1 FGAF c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCCO5)n3)c2c1 12355037 CXHLTNFGZLWOKU-UHFFFAOYSA-N 360.377 3.091 0 1 FGAF CC(C)C(=O)Cc1c(OC[C@H](O)C(C)(C)Cl)ccc2ccc(=O)oc12 14490906 ABSHGVKRCLSRQK-INIZCTEOSA-N 366.841 3.318 0 1 FGAF endogenous,in-man Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@@H]1CCCO1 169301242 BSAKAGUSLYMSNM-HQRMLTQVSA-N 357.498 3.176 0 1 FGAF Cc1cc([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)on1 169335897 APXCHRRPLFZFMP-VMDBXTETSA-N 365.405 3.296 0 1 FGAF O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167019848 CAJNGWRFRUQWOZ-IBGZPJMESA-N 365.433 3.143 0 1 FGAF CCCCCN1C(=O)C(NCCC)=C(c2cn(C)c3ccccc23)C1=O 1857577268 ZXZQSELKHBATMZ-UHFFFAOYSA-N 353.466 3.448 0 1 FGAF Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3F)cc2c1 1353006 IZEKTGGQNDYMPR-UHFFFAOYSA-N 369.396 3.002 0 1 FGAF in-vitro CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049107 JXNYBDJEZKUIEO-CTNGQTDRSA-N 365.477 3.236 0 1 FGAF Cn1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1 103263523 SUCPDABGOHLZRU-UHFFFAOYSA-N 355.707 3.288 0 1 FGAF CC(C)[C@@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C)C(=O)N1 100088752 QFIUZUGIFYOZOV-PVBJMXQCSA-N 358.482 3.405 0 1 FGAF CCOC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC)cc1 103230086 CYZJEDNMWPJCDY-YRNVUSSQSA-N 365.385 3.001 0 1 FGAF COC(=O)[C@@H]1CC(=O)C[C@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2356309156 FNVSXZHYPJQAOP-WSYNCDOCSA-N 374.433 3.459 0 1 FGAF CCCCc1ccc(N(CC(=O)O)C(=O)[C@@H](C)CSC(C)=O)cc1 27735940 QRVPNSMLMPOHRT-ZDUSSCGKSA-N 351.468 3.363 0 1 FGAF CC(C)Oc1cc(N2[C@H](C)COC[C@H]2C)nc2c(-c3cc[nH]n3)nccc12 1911572854 XXIDXEBDJANSDE-ZIAGYGMSSA-N 367.453 3.421 0 1 FGAF COc1c(Br)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C 84671245 QMNDUJOUIZTQFO-UHFFFAOYSA-N 355.232 3.202 0 1 FGAF C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212285 ZJLZFCBUIMUTCF-ZDUSSCGKSA-N 374.460 3.032 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@](O)(CC[C@@]52C)[C@H]63)CC[C@@H]41 238768628 BIOQITHAUXBDPF-WEYGYHKFSA-N 371.521 3.147 0 1 FGAF C/C=C1/C(=O)NC=C(C(=O)OC)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 238753248 OVCQNYKEUACHQG-NEDLJVEISA-N 361.401 3.008 0 1 FGAF CN(C)[C@@]1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21 95596976 ANNXYPIRHNJRME-JOCHJYFZSA-N 360.461 3.411 0 1 FGAF COC(=O)C[C@]12C[C@H](O[C@@H]1/C=C(\C)CCC=C(C)C)[C@@H](OC)CC2=O 238731697 UQMNIDMLSKXSQI-YKCJTAFSSA-N 350.455 3.374 0 1 FGAF O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)c1ccccc1 95895539 LYKIWLGSUKNKFQ-FKBYEOEOSA-N 362.473 3.100 0 1 FGAF O=C1NC2=C(CNC/C2=C\c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1 96270588 XYXCMPQYKULDMW-MOVXZBDNSA-N 353.372 3.260 0 1 FGAF CSC1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@@H]2O 96938426 GTYISUZLMHTDOM-WBMJQRKESA-N 352.481 3.421 0 1 FGAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(O)c(C)c1O2 32193892 SOHAFBHCOPECDB-UHFFFAOYSA-N 358.346 3.443 0 1 FGAF biogenic CC1(C)OCc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3cn[nH]c3)nc21 653707433 QQUJEUGNKCSQPP-UHFFFAOYSA-N 365.372 3.391 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H]4CN[C@H]1C(=O)O)-c1ccccc1C2=O 587096536 LFNZYWVGDVVBNT-VFCRVFHLSA-N 370.408 3.067 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)O 587400373 NGFGBMRIGWNAQI-APPDUMDISA-N 371.389 3.144 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587716890 DZKYAGQXADEPGH-AFEMSUNCSA-N 362.214 3.239 0 1 FGAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CO1 587209663 RRKSATSAXUSRPC-SFHVURJKSA-N 359.381 3.451 0 1 FGAF O=S(=O)(O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161558 WIUQZALVXPNLDF-UHFFFAOYSA-N 371.187 3.378 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cnccn23)N1 587772291 FHDUQTZWPITNAP-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 586966827 OPLQSDMLVYAUSW-UHFFFAOYSA-N 370.413 3.238 0 1 FGAF C[C@H](CCC(=O)O)Cc1nc2ccc(I)cc2[nH]1 587963048 NFHHVXTWUBBWCA-MRVPVSSYSA-N 358.179 3.211 0 1 FGAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 587071297 ZSVQOVDLIHVZKY-VIFPVBQESA-N 366.650 3.005 0 1 FGAF Fc1ccccc1CCc1nc2cc(I)cnc2[nH]1 587150930 VBDXDWPGVFHBOU-UHFFFAOYSA-N 367.165 3.487 0 1 FGAF COc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1OC 586978747 FPXJRXKDENIOLG-UHFFFAOYSA-N 365.231 3.204 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(OC)cc(C)cc41)[C@@H](C2)C3=O 587452776 LAXSRDKAOPONMH-QKKBWIMNSA-N 352.386 3.438 0 1 FGAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC[C@H]1CO1 587411772 KDZBUXCUZNUBGM-SZNDQCEHSA-N 369.417 3.244 0 1 FGAF c1ccn2c3c(nc2c1)CCN[C@@H]3c1ccc(OCCCn2ccnc2)cc1 962985754 GKCHZATUCJEGMQ-OAQYLSRUSA-N 373.460 3.235 0 1 FGAF O=c1oc(-c2ccccc2)cc(O)c1/C=C/c1nnc(Br)o1 1772639882 QEDYOOQTCZYAAS-VOTSOKGWSA-N 361.151 3.328 0 1 FGAF O=C(Nc1ccc2c(c1)CN(C(=O)Nc1cccs1)CC2)[C@H]1CCCO1 12464841 YBUJWZSKYCNYEO-MRXNPFEDSA-N 371.462 3.456 0 1 FGAF CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)O 150117393 LHNGTUXRNUJLHN-UHFFFAOYSA-N 374.359 3.262 0 1 FGAF Cc1c(O)nc(=O)n(C)c1-c1ccc2c(c1)CCN2c1nccc2occc12 1857551347 RUVXSTRYCQUZGY-UHFFFAOYSA-N 374.400 3.297 0 1 FGAF O=C(N[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)o1 1857591672 SGLSMWIRFLQDKA-JKSUJKDBSA-N 370.840 3.199 0 1 FGAF O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccccc3)s2)cc1 1857760957 NTFXTDMDBGXZNW-UHFFFAOYSA-N 367.430 3.398 0 1 FGAF C=C1C=C(C(F)(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 103116589 BAPNOZURPUDGIY-UHFFFAOYSA-N 352.291 3.295 0 1 FGAF COc1cccn2nc(CSc3nc(-c4ccccc4)cn3C)nc12 117237388 APLXDGPZVQNJCK-UHFFFAOYSA-N 351.435 3.431 0 1 FGAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cn1 61897320 HMIFAKCOHCCGTP-QGZVFWFLSA-N 365.364 3.234 0 3 FGAF CN(CCNC(=O)c1noc2c1CCc1sccc1-2)Cc1ccccc1 21538010 MPXLIMMTZBETRY-UHFFFAOYSA-N 367.474 3.364 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCCN4)cc3)nc2c1 34600490 CWHROZXSAWEZDW-MRXNPFEDSA-N 364.449 3.240 0 1 FGAF O[C@@H]1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139065881 JXMJVRWUTVYLQZ-MRXNPFEDSA-N 363.421 3.369 0 1 FGAF COCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82150411 KABKWCDDSUAVFR-UHFFFAOYSA-N 372.444 3.039 0 1 FGAF CC(=O)S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)c(Cl)c2)C1=O 1911573081 USHGCEGAGSSTIA-JTQLQIEISA-N 367.732 3.150 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 43772005 CIMMACURCPXICP-VZQKFFJLSA-N 354.487 3.475 0 1 FGAF O=C(NC(=O)c1c(O)cccc1O)NC1c2ccccc2-c2ccccc21 43069795 ZYTNFBHCEBPFQV-UHFFFAOYSA-N 360.369 3.307 0 1 FGAF CC[C@H]1C/C=C/Cc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 195396429 GQHJEOPNYJIXRG-ZEALZURVSA-N 358.434 3.099 0 1 FGAF NC(=O)c1cccnc1COc1cc(Br)cc2ncccc12 146019387 NHEPQDVNALIVTA-UHFFFAOYSA-N 358.195 3.070 0 1 FGAF CCCOC[C@@]1(O)C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 96169533 UQTFGVGNOYPZBT-NUTKFTJISA-N 373.371 3.116 0 1 FGAF N=C1N[C@](CF)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[C@@H]2C[C@H]2O1 473194842 SUUKHIFMZQJKSQ-DDUZABMNSA-N 374.803 3.095 0 1 FGAF COc1c(C(C)C)cc2c(c1O)[C@@]13CC[C@@](O)(OC1)C(C)(C)[C@@H]3C[C@@H]2O 85666879 KUESBQLQDMKBNP-LATRNWQMSA-N 362.466 3.354 0 1 FGAF biogenic Cc1cc(C)cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)c1 653777938 XGOLSZDFWDNITO-PKOBYXMFSA-N 363.454 3.329 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2c(C)nccc2[nH]1)C(F)(F)F 587091865 GZFDPSFWBCFDBF-INIZCTEOSA-N 350.344 3.430 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1F)O2 587386738 LYTMTGZXRVZGCG-DNVCBOLYSA-N 364.417 3.260 0 1 FGAF COc1ncc(F)cc1-c1nc2cc(I)ccc2[nH]1 587176437 UROQOVUFTYNTIW-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF CC[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582445 PRLQPCIVUPVTRA-PXNSSMCTSA-N 350.374 3.393 0 1 FGAF O=C(O)CCN(CCc1nc2cc(F)cc(F)c2[nH]1)Cc1ccccc1 587193587 MTDDUSONXNPSCM-UHFFFAOYSA-N 359.376 3.361 0 1 FGAF O=C(O)C(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528847 FJEMSLPOTMAHSP-QFIPXVFZSA-N 364.397 3.470 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152415 MXNNDLADAXGACU-GHMZBOCLSA-N 350.346 3.359 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(Br)c(C)nn1C 963271533 VGGQLSXCKRAWCL-CQSZACIVSA-N 370.678 3.388 0 1 FGAF C[C@]1(c2cnns2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957889 PUMIQZKZMCMHJN-OAHLLOKOSA-N 369.412 3.472 0 1 FGAF COC(=O)c1cc([C@@]2(C3CCCCC3)NCCc3ccc(O)cc32)c[nH]1 963331268 YDNSUUOZEOAAKU-OAQYLSRUSA-N 354.450 3.477 0 1 FGAF Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCCC[C@@H]1C 5143199 AUAROHUMWYSOIF-SFHVURJKSA-N 367.493 3.018 0 1 FGAF Cc1ccn2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)nc2c1 11819972 XTFVMXUWHRVDBS-QGZVFWFLSA-N 352.413 3.499 0 3 FGAF CCc1cc(CNC(=O)c2ccc(OC)c(OCc3ccccn3)c2)on1 169302640 CIFUTACNUIJIPQ-UHFFFAOYSA-N 367.405 3.150 0 1 FGAF FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1 1857538392 PGWLDGZKRODDAY-UHFFFAOYSA-N 356.485 3.438 0 1 FGAF CC(C)N1CCC(Oc2ccc(NC(=O)CN3CCCCC3)cc2)CC1 1857575001 PNZGSFBFEGFEPQ-UHFFFAOYSA-N 359.514 3.363 0 1 FGAF O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12 29127398 RNXYTBTYYPYNEV-GEEKYZPCSA-N 372.218 3.269 0 1 FGAF NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CN)cc3)cc2)cc1 1569804 XOUONWGWEAIOJM-UHFFFAOYSA-N 374.444 3.109 0 1 FGAF Cc1ccc(-c2nn(CC(=O)NC3CCCC3)c(=O)c3ccccc23)cc1 3063775 KBZKDSMUYQBELG-UHFFFAOYSA-N 361.445 3.431 0 1 FGAF C[C@H](NC(=O)CCCn1c(=O)c2cccn2c2cccnc21)c1ccccc1 6797491 VPWJDMPNZQSECK-INIZCTEOSA-N 374.444 3.307 0 1 FGAF CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 101360236 FPUHKQMDWMVBRI-RUGRQLENSA-N 368.477 3.264 0 1 FGAF O=C1COc2ccc(NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)cc2N1 56576046 OAHXTALWGIIZPG-CQSZACIVSA-N 357.797 3.480 0 1 FGAF C[C@@H]1CN(C(=O)C2CC2)N=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3 28004085 SZMRXVSGGIDTLL-GFCCVEGCSA-N 363.417 3.106 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5ccccc45)C[C@H]3C2)n1 116822869 UPDIDSMLOOSOTA-KDURUIRLSA-N 372.472 3.455 0 1 FGAF Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)NC5CCCCCC5)(C4)C2)C3)n1 20177648 JQBFSFXEBLXODQ-BANKROOTSA-N 357.502 3.116 0 1 FGAF OC[C@H]1CC[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)O1 27317547 LVTQBRHVNWJLNJ-DOMZBBRYSA-N 350.850 3.499 0 1 FGAF OCCOc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 114332376 HRCKLYFDWWYCLS-IBGZPJMESA-N 363.461 3.292 0 1 FGAF NC(=O)c1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 72101465 FTPFENXCJNQTFF-IBGZPJMESA-N 372.346 3.484 0 1 FGAF COc1c2ccoc2c(OC[C@@H]2OC(=O)OC2(C)C)c2oc(=O)ccc12 13380832 AUIKCQMXBIJVEL-NSHDSACASA-N 360.318 3.241 0 1 FGAF biogenic O=C(NCC[S@](=O)Cc1cccc(O)c1)c1c(Cl)cccc1Cl 49807764 PWLSKVLGOBKLCU-HSZRJFAPSA-N 372.273 3.378 0 1 FGAF Nc1ncnc2c1c(Oc1cc(O)ccn1)nn2C1CCC(F)(F)CC1 1911580630 UEMWRNXJYTVRFA-UHFFFAOYSA-N 362.340 3.052 0 1 FGAF C[C@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1ccccc1F 226027247 QRFGGWOXWYEDLM-LBPRGKRZSA-N 354.360 3.305 0 1 FGAF O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2ncccc2N1 45357481 PHOCQCHTHJNVPB-UHFFFAOYSA-N 353.769 3.136 0 1 FGAF O=C(CC(=O)c1nnc[nH]1)c1cccc(OCc2ccc(Cl)cc2)c1 96916196 SVQVXWHOLCOJAY-UHFFFAOYSA-N 355.781 3.493 0 1 FGAF CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCC[C@H](O)CO)N[C@@H]1C 85996529 MJPZKLRGLLDPRZ-BTHPGYMESA-N 357.535 3.313 0 1 FGAF biogenic COc1ccccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652396 QWIKGVHOSTZFFC-LLVKDONJSA-N 358.781 3.166 0 1 FGAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccc(F)cc2)c1O 587940066 IQGXWQOEEIGOLS-UHFFFAOYSA-N 365.158 3.145 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(OC)cc4nc1O)[C@@H](C2)C3=O 587436531 QFPMNFXZWVEOCU-VBKZILBWSA-N 363.369 3.446 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)c(OC)c1)[C@@H](C2)C3=O 587442767 LMBBUHZSWJNVFX-RNODOKPDSA-N 356.374 3.081 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2c1cnn2C 587869081 ANQAQKLARSVWIQ-UHFFFAOYSA-N 374.326 3.243 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)c(C(=O)C(F)(F)F)c2c1 587649201 LINKNRMREBKGLC-UHFFFAOYSA-N 368.336 3.378 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCOCC4)s1)[C@@H](C2)C3=O 587453179 VLNXEOFFRGPPII-MGPUTAFESA-N 371.458 3.078 0 1 FGAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587051476 XUGMVXPJPYHMME-UHFFFAOYSA-N 365.798 3.088 0 1 FGAF CC(=O)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349323 BLGZNFNEOPKLFV-VDUSKEEQSA-N 356.349 3.355 0 1 FGAF COC(=O)[C@H](C)C[C@H](C(C)=O)[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963119852 ZTOBPZURHLIXIK-GTDVHBTHSA-N 361.457 3.466 0 1 FGAF COC(=O)c1cc(CCCCc2cc(C(=O)OC)c(N)s2)sc1N 1772575516 YNGBWMZJDBHYEW-UHFFFAOYSA-N 368.480 3.113 0 1 FGAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(N)=O)C3)cc1Cl 1772575012 BZHIVRUKENQLRG-UHFFFAOYSA-N 362.813 3.297 0 1 FGAF N=C(N)c1ccc(CCCCC(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 13741889 FGNCAMBILXYPFJ-GOSISDBHSA-N 367.449 3.016 0 1 FGAF CC[C@@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 13813057 CITPXCNSMZMNIW-XYEHWOGUSA-N 370.493 3.432 0 1 FGAF Cc1cc(=O)oc2cc(OCc3cn(-c4cccc(F)c4)nn3)ccc12 1857633670 UWJFXFHVNNWONE-UHFFFAOYSA-N 351.337 3.400 0 1 FGAF O[C@@H](Cn1cncn1)Cn1c2ccccc2c2ccc(Br)cc21 1857648408 LOHIUCVIJBVXIC-ZDUSSCGKSA-N 371.238 3.210 0 1 FGAF CC(=O)N1c2ccc(-c3cnn(C)c3)cc2N(C(=O)c2ccco2)C[C@@H]1C 1857760482 ZAAQDDYAHFDBQN-ZDUSSCGKSA-N 364.405 3.082 0 1 FGAF S=C1N=C(c2ccccc2)C[C@H](c2cc3ccccc3n3nnnc23)N1 138853666 KFGWPTJEQYKJLB-MRXNPFEDSA-N 358.430 3.086 0 1 FGAF COc1ccc(N(C)C(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)cc1 6771849 QQJBYFAWIXDHIM-UHFFFAOYSA-N 361.401 3.305 0 1 FGAF CCOc1ccc(NC(=O)CSc2nc3cc(C)nc-3c(O)n2C)cc1 103688644 XOTQYNWPRQNXNF-UHFFFAOYSA-N 372.450 3.063 0 1 FGAF CS(=O)(=O)c1ccc(-n2nc3c(c2O)CSc2ccccc2-3)cc1 100983001 PHLNUUDMCUUSGF-UHFFFAOYSA-N 358.444 3.254 0 1 FGAF Cc1c(Cc2cccc(N)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 114930552 FKQWXAHTXOXSLS-UHFFFAOYSA-N 352.390 3.335 0 1 FGAF C[C@@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@@H](O)C(F)(F)F 115763805 CGPSIOMHVIIIGV-MQOMDTIOSA-N 368.233 3.214 0 1 FGAF Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 28897204 PSXNFNPGJHVFNL-UHFFFAOYSA-N 374.425 3.399 0 1 FGAF CCCc1c(CNc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 27999583 ROKIOTZMRLYACP-UHFFFAOYSA-N 365.437 3.263 0 1 FGAF O=C1c2ccccc2C(=O)N1CCOC(=S)Oc1ccc(Cl)cc1 28475720 HXYXHBBAIDETPD-UHFFFAOYSA-N 361.806 3.317 0 1 FGAF O=C(OCCc1scnc1C(=O)Nc1nccs1)c1ccccc1 28457618 MWAZGULPYITHCU-UHFFFAOYSA-N 359.432 3.251 0 1 FGAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1[C@@H](c1ccccc1)NC2 27329181 JYWGTDFHZDSBJH-LJQANCHMSA-N 353.857 3.175 0 1 FGAF C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1c1ncccn1 34804529 DXAHUFHFRZSFKN-QGZVFWFLSA-N 358.445 3.495 0 1 FGAF O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccccn2)CC1 38214595 AHJOSYULWRUECL-SFHVURJKSA-N 350.466 3.110 0 1 FGAF COc1c(OC)c2c3c(nccc3c1OC)-c1cc(OC)c(=O)ccc1-2 15263386 LSZCTBVMSGTFLL-UHFFFAOYSA-N 351.358 3.277 0 1 FGAF biogenic O=C(NCC(=O)N1CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 82084909 DIVKOZHWYSLHND-UHFFFAOYSA-N 363.417 3.237 0 1 FGAF COc1ccc(Cc2coc3c(C=O)c(O)c(C)c(OC)c3c2=O)cc1 199428815 RGIYXNPLKUGUDE-UHFFFAOYSA-N 354.358 3.228 0 1 FGAF C[C@@H]1CN(c2ccc(F)cn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 96272416 HPSYRHGWSUSMPI-LFPRZYRFSA-N 357.473 3.474 0 1 FGAF CCc1nnc(CN(C)C(=O)[C@H](CC)n2c(CC)nc3ccccc32)o1 95356217 SQFTUXQXQIPXJG-AWEZNQCLSA-N 355.442 3.154 0 1 FGAF COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC(C)=O 238776849 RGPQFWQSCJKOIO-UHFFFAOYSA-N 354.314 3.123 0 1 FGAF COCc1cc(NC(=O)c2ccco2)cc([C@@]2(C)CCSC(N)=N2)c1 96174285 JTRGZWVQZWTHDK-GOSISDBHSA-N 359.451 3.345 0 1 FGAF COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@]5(C1=Nc1c(OC)cccc15)[C@@H]43)C2 95912649 IUFMIZJRZKMHTI-PDGJWGCVSA-N 364.445 3.007 0 1 FGAF biogenic,in-vitro COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587229817 CGFQQOGEMVERIG-DLBZAZTESA-N 355.482 3.478 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(SC)[nH]c1=N)CC2=O 587494372 WSYVKYOUIJVTJK-GOSISDBHSA-N 359.451 3.150 0 1 FGAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C 587576718 KGDLCZBGJKDLLF-YLJYHZDGSA-N 350.374 3.311 0 1 FGAF Cc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Cl 586945092 VRFSJXAZTSSFAR-UHFFFAOYSA-N 353.831 3.142 0 1 FGAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)Cc2ccc(F)cc2C(=O)O1 587173523 CUEKYPGZJRSQCZ-HXUWFJFHSA-N 368.364 3.492 0 1 FGAF O=C(OCC(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772570347 DRBPIQSNRPRBLF-NHAGDIPZSA-N 369.318 3.356 0 1 FGAF COc1cccc(Nc2ncc3c(n2)N(Cc2ccccc2)CC(=O)N3)c1 1772597473 NKHBRDRFNQAVEE-UHFFFAOYSA-N 361.405 3.188 0 1 FGAF O=C1C=C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]([C@@H]2O[C@@H]2c2ccccc2)O1 14441547 SXDWURVOACIILU-VTWBULIDSA-N 362.381 3.233 0 1 FGAF biogenic,in-vitro O=C(CCNC(=S)Nc1ccc(Br)cn1)c1ccccc1 14943870 AFFQZHLXYGSFIV-UHFFFAOYSA-N 364.268 3.404 0 1 FGAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1n1cnc2cncnc21 169351052 OPMJKLXZDHGADZ-CQSZACIVSA-N 366.233 3.043 0 1 FGAF CN1CCN(C(=O)c2cccc(-c3ccc4c(C=O)c(O)ccc4c3)c2)CC1 169699708 JSOJBFZXZOBOHZ-UHFFFAOYSA-N 374.440 3.413 0 1 FGAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(I)cc2)C1=O 169717837 LBJDWODOCSABNK-ISVAXAHUSA-N 360.216 3.071 0 1 FGAF O=P(O)(O)O[P@](=O)(O)OCC=C(c1ccccc1)c1ccccc1 1857584866 QBVGOYLWQUYQKZ-UHFFFAOYSA-N 370.234 3.345 0 1 FGAF Cc1c(Sc2ccc(OC(F)(F)F)cc2)nc2[nH]c(=N)[nH]c(N)c1-2 1857758112 KOFFBPXXZBGMEX-UHFFFAOYSA-N 355.345 3.262 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049667 QXGVCVQHTRFICG-XODKDNOYSA-N 364.445 3.198 0 1 FGAF CNc1nc2cc(-c3cccc(CNC(N)=O)c3)sc2n2c(C)cnc12 28950765 MCGRFOSDZZVTTO-UHFFFAOYSA-N 366.450 3.129 0 1 FGAF CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(C)cc1 20213824 FEBNOEAQMZCORM-IBGZPJMESA-N 371.481 3.088 0 1 FGAF CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34CNC[C@H]3C4)cc2)cc1 102170456 SJJCRPJMKKRQSW-YLJYHZDGSA-N 356.491 3.472 0 1 FGAF CC(=O)Nc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661771 AUQXOFKLVKXEHS-UHFFFAOYSA-N 370.430 3.317 0 1 FGAF CCCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204826 NBTTXTORWPUYNU-DOMZBBRYSA-N 368.865 3.337 0 1 FGAF CC(C)NC[C@H](O)COc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O 29564619 YGMHSCSRQGACKW-OXJNMPFZSA-N 355.434 3.131 0 1 FGAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCOCC2)N1c1ccccc1 26994482 KPUZUAXTLXGLSU-IBGZPJMESA-N 365.433 3.131 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2356516649 DWBSPRNBPGOZCH-GDRFJIABSA-N 374.433 3.459 0 1 FGAF CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1 29130608 SYZMKZBTICLWQD-UHFFFAOYSA-N 365.477 3.119 0 1 FGAF CCO[C@@H]1c2ccc(OC)c(O)c2[C@@]23CC=C(OC)C[C@@H]2[C@H]1N(C)CC3 2356782162 CYZDIDKGWZLCHU-ZQYQINFJSA-N 359.466 3.374 0 1 FGAF Cn1cc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 64527737 KGFWOPNBCVKALC-UHFFFAOYSA-N 359.433 3.217 0 1 FGAF CCCCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 33838876 UXVRTOKOJOMENI-FFCQCANWSA-N 352.471 3.129 0 1 FGAF COc1ccc2c(c1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 14725357 NMGKOLWJHJBERW-AWEZNQCLSA-N 355.434 3.473 0 1 FGAF biogenic Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCN)[C@@H]3c1cccc(O)c1 34524479 ZHXBYINMTVWXRO-JOCHJYFZSA-N 363.461 3.395 0 1 FGAF C[C@]12CC[C@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34 40918810 ZCEYOMXMDDYIQP-QFWYRGITSA-N 360.450 3.082 0 1 FGAF Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)[C@H]2C(=N)ON=C2N)cc1 45320098 RYOIDDVLPVVOTD-FUHWJXTLSA-N 363.417 3.271 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82073046 DHMJPZRKLFDQAJ-KRWDZBQOSA-N 355.438 3.171 0 1 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(F)c3)c2)n1 89469229 DWBZVYKSSUDMBE-UHFFFAOYSA-N 371.391 3.420 0 1 FGAF CCCOc1ccnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1 142228092 MISYKQJPSHLGSB-HNNXBMFYSA-N 369.465 3.335 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccccc3)C2)O1 96019009 YHEKJHNLIFYPOE-UGKGYDQZSA-N 372.509 3.489 0 3 FGAF O=C(O)CCCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 95603990 XQVKKBCGHWVZPJ-NTEUORMPSA-N 360.460 3.379 0 1 FGAF C[C@]1([C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359884 SORZGFKYBJSQMS-XAUMDUMWSA-N 356.349 3.212 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ncccn2)N1 587776338 WQPXFKAFDLXKAQ-QFYYESIMSA-N 350.235 3.370 0 1 FGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C 587579670 FLEAUBHNWBIKFU-PXNSSMCTSA-N 350.374 3.311 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1 586941897 XXIMHMSOJLZGNH-CMDGGOBGSA-N 363.389 3.240 0 1 FGAF NC[C@@H]1C[C@@H](c2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962906233 XLHMLYUVFXEZJB-LLRHIXAHSA-N 368.452 3.163 0 1 FGAF C[C@]1(c2ccc(C(=O)O)[nH]2)c2ccsc2CCN1Cc1cccnc1 962999994 SYJZZRREUOYYTR-LJQANCHMSA-N 353.447 3.491 0 1 FGAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901765 SBESMBVUDSZGKX-HKUYNNGSSA-N 361.800 3.301 0 1 FGAF Fc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cn1 220715528 PHOWRYFJQMLGOQ-HNNXBMFYSA-N 355.442 3.474 0 1 FGAF Cc1ccc(-n2cc(C(N)=O)c(=O)c3ccc(-c4ccncc4)cc32)cc1 5930973 ZNHLXMCVTJOHPW-UHFFFAOYSA-N 355.397 3.460 0 1 FGAF COC[C@H](C)Nc1cc(-c2c(-c3ccccc3)nc3nc(N)ccn23)ccn1 13487228 XXAWRUNZQCOIKO-AWEZNQCLSA-N 374.448 3.487 0 1 FGAF O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12)C1CC1 13538543 VNVKSDCWJDOWNE-UHFFFAOYSA-N 373.210 3.442 0 1 FGAF C[C@H]1O[C@@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 13981787 JYOGKBXESSHWFA-YKURBOOJSA-N 364.612 3.053 0 1 FGAF O=C(c1ccc(O)cc1)c1ccc(S(=O)(=O)c2cccc(O)c2)s1 169325482 ICCXSVUUTBXBOY-UHFFFAOYSA-N 360.412 3.223 0 1 FGAF CCc1nn(Cc2ccc(NC(=O)C3CCC3)cc2)c(CC)c1CC(=O)O 168890714 FZQUYRHJKAUIRH-UHFFFAOYSA-N 369.465 3.422 0 1 FGAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)cc1 4238110 VPSAEROZZCBUET-FQEVSTJZSA-N 371.506 3.280 0 1 FGAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O 5999125 VBIRCRCPHNUJAS-UYVJDWJCSA-N 356.374 3.205 0 1 FGAF in-man Cc1nc2c(OCc3ccccc3)cccn2c1CN(C)CCN(C)C 1857538189 NLMUOZIIVPHEFS-UHFFFAOYSA-N 352.482 3.215 0 1 FGAF CCCC/C=C1\SC(=O)N([C@H](C)C(=O)NOCc2ccccc2)C1=O 1857539776 QVQFGRCVIXGSMS-LKKYZFDUSA-N 362.451 3.392 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 590615 KOBUOXDVUDRKJX-OAHLLOKOSA-N 360.834 3.436 0 1 FGAF CC[C@]12CCCN3C[C@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 2356449888 BPDKTQZPNORXPH-KVJIRVJXSA-N 368.477 3.070 0 1 FGAF CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@@H](N)CC3)nc21 100821326 WKESGRBZSRGRRG-HDJSIYSDSA-N 369.448 3.411 0 1 FGAF CCOc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](C(=O)c2ccccc2)C(=O)N1 103871206 LVIVJMRIVLLFNL-KUDFPVQQSA-N 351.402 3.297 0 1 FGAF O=C(O)C[C@@H](Sc1ccc(NC(=O)[C@H]2CCCN2)cc1)c1cccnc1 27727820 NPZFAQDZBUZOJD-IAGOWNOFSA-N 371.462 3.080 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356531555 CQPINXFYOGZFDW-HUUCEWRRSA-N 371.481 3.481 0 1 FGAF Cn1c(N2CCC[C@H]2Cc2ccccc2)nc(-c2ccncc2F)cc1=O 114416868 ROEXPGOKMVNMLS-INIZCTEOSA-N 364.424 3.193 0 1 FGAF CN(C)c1ccc([C@H]2CC(c3c(O)n(C)c4ccccc4c3=O)=NO2)cc1 3846604 ZWBCDRGXQKXKCC-GOSISDBHSA-N 363.417 3.176 0 1 FGAF biogenic CCCCCCCCCCCC[C@@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 14300007 MPFLKMQGGVNBJS-KSSFIOAISA-N 360.447 3.289 0 1 FGAF biogenic CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181313 BBVBQJZNZXETCP-INIZCTEOSA-N 366.469 3.393 0 1 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 195392735 CVWPPMKSHIKWNI-QFUCXCTJSA-N 373.412 3.395 0 1 FGAF CCCS(=O)(=O)Nc1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1 84635172 GFSXLVKHQZSGSM-UHFFFAOYSA-N 356.451 3.339 0 1 FGAF COC(=O)[C@@H]1CC2=C3/C=C/[C@H]4C(=O)N(C[C@H]3CCC3=C2[C@@H]1CC3)C[C@H]4C 238763517 ASXMVBHXTSDEQQ-CCZFPHDYSA-N 353.462 3.257 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@H](C)/C(=C/C(=O)O)CC3 238774774 AGSAINARGNMCLQ-ZZIPOVHUSA-N 362.466 3.474 0 1 FGAF CN1[C@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 263591881 VOWCKQTZGNDHEC-UXPWSPDFSA-N 360.461 3.091 0 3 FGAF O=C(NCc1ccsc1)N1CC[C@@H](c2nc(Cc3ccccc3)no2)C1 299824490 HHVNXALXKDOOTQ-MRXNPFEDSA-N 368.462 3.421 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4c(C)cc(=O)oc14)[C@@H](C2)C3=O 587454207 RTFGHKOVJGBMOW-YEJXKQKISA-N 364.353 3.304 0 1 FGAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(O)cc1)(C(=O)O)CC2=O 587477348 FVXFLIZRKQNZEO-FQEVSTJZSA-N 356.374 3.082 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(Cl)c4[nH]3)cc12 587038080 QDVFAUWNCVPSOI-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1 586923990 CYXHFJHCOTVUDT-SREVYHEPSA-N 353.325 3.421 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(F)c(F)c(O)c(F)c1F)[C@@H](C2)C3=O 587421734 ALDALXKNKINBKN-SKLCBMLGSA-N 354.255 3.446 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 586970530 LZPROCIMQCBFCI-UHFFFAOYSA-N 367.478 3.070 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522443 LXWYRPFMGHJKRZ-KKSFZXQISA-N 356.418 3.202 0 1 FGAF C[C@H]1CC(=O)N(CC(=O)NCCc2ccccc2)c2ccccc2S1 5052657 SUWZLJILBGBGAV-HNNXBMFYSA-N 354.475 3.263 0 1 FGAF CC(=O)c1cc2c(cc1NC(=O)c1cc(C)nn1-c1ccccc1)OCO2 5058670 XXYVOHVTBJHXFJ-UHFFFAOYSA-N 363.373 3.364 0 3 FGAF Cc1cc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)n[nH]1 12299095 VUIJBQOXSXVFDD-UHFFFAOYSA-N 354.410 3.174 0 3 FGAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3cccc(C)c23)C1=O 13587555 TVCASQQIYCIMHX-UHFFFAOYSA-N 350.403 3.309 0 1 FGAF O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2cnsn2)C1 14951592 ZWGUBSJMJIATQQ-MRXNPFEDSA-N 351.431 3.426 0 1 FGAF CCCCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O 169622190 RZCPXIZGLPAGEV-PDARELIESA-N 354.487 3.043 0 1 FGAF CC1(C)CCC[C@H]1n1c(=O)cc(O)n(CCc2ccc(Cl)cc2)c1=O 169729846 CFRXMXUYQHDFQO-OAHLLOKOSA-N 362.857 3.363 0 1 FGAF O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Oc2cncnc2)ccn1 167378166 WLLIZGWLOXZVED-UHFFFAOYSA-N 367.312 3.392 0 1 FGAF NC(=O)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)ccc1N 1857589964 UBHIXHPJKNMYLE-UHFFFAOYSA-N 359.376 3.137 0 1 FGAF C[C@@H]1CCNC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857759100 XKYMMSSYCNFZDW-IUODEOHRSA-N 373.403 3.237 0 1 FGAF C[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C(=O)N1 1857762635 FGWHERIFLCVYLT-WFASDCNBSA-N 373.403 3.237 0 1 FGAF CCOc1ccccc1NC(=O)Cn1ccc2c(OC)cccc2c1=O 2712171 WVOFPLMGPQXLOA-UHFFFAOYSA-N 352.390 3.048 0 1 FGAF OC[C@@H]1O[C@@H](/C=C\c2ccccc2)C=C[C@@H]1Oc1ccc2c(c1)OCO2 7992641 XABUZAPEWOEFMZ-OLEMVAHZSA-N 352.386 3.192 0 1 FGAF CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc21 58583441 MGDIYBDWQLFUQN-AWEZNQCLSA-N 364.877 3.156 0 1 FGAF Cc1ccc(-n2c(S)nnc2N2N=C(c3ccccc3)CCC2=O)cc1 66076478 KBBGLMWMCDYXNE-UHFFFAOYSA-N 363.446 3.396 0 1 FGAF Cc1cc(-c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)cc(C)n1 26572750 GWUIVBGYBGBWMX-UHFFFAOYSA-N 353.353 3.248 0 1 FGAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)cn1 2356434408 QFZYJSBVZVOLFF-CRAIPNDOSA-N 370.428 3.014 0 1 FGAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cc(C)ccn4)c3[C@@H]2C1 116941366 LJJPTZDFLIRAPR-CJNGLKHVSA-N 366.421 3.340 0 1 FGAF Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23156803 GOAMXJOTLKPXBX-LALPHHSUSA-N 358.467 3.003 0 1 FGAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@@](C)(CCO)[C@@H](O)O1 2356511176 AJDVYSWVSCNGQG-NBOOPKSLSA-N 362.583 3.226 0 1 FGAF CCCCCC[C@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 35996517 PUFFDHPIZWKLSX-NRFANRHFSA-N 369.509 3.384 0 1 FGAF in-vivo O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1CC[C@@H](O)Cc1ccccc1 34064842 UNNWTQCYFXZRNE-YVFJGJOJSA-N 374.477 3.138 0 1 FGAF C/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc(OC)cc4F)ccc3c12 35279756 KGJIPHQCBIDCPF-UHFFFAOYSA-N 355.394 3.212 0 1 FGAF COC(=O)c1cc(OC)c(Cl)c2c1Oc1cc(C)cc(O)c1C(=O)O2 14585654 YNORUCGPRNZICK-UHFFFAOYSA-N 364.737 3.474 0 1 FGAF biogenic COC[C@H](C)Nc1ccc(-c2cnnc3cc(OC)c(OC)cc23)cn1 73295752 NNJRTZLDRHCLOE-LBPRGKRZSA-N 354.410 3.156 0 1 FGAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1ccccc1F 95600679 TXDRIPWARWLSHF-GOSISDBHSA-N 365.412 3.181 0 3 FGAF COc1cccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1 653848279 GEIAWGSLQVBVDC-UHFFFAOYSA-N 368.400 3.334 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(N)=S)cc1)[C@@H](C2)C3=O 587453314 ROCPTUIVJKOADS-IFXJQAMLSA-N 354.431 3.014 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cn(CCN)c4ccccc14)[C@@H](C2)C3=O 587430351 GWHUGKPCTRMHDL-KSFYIVLOSA-N 362.429 3.271 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CS(C)(=O)=O)cc1)O2 587409031 JRHLUYFYPSRUEU-LJQANCHMSA-N 359.447 3.002 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587440358 YVAVFZQANDXCHK-ODYMNIRHSA-N 373.449 3.458 0 1 FGAF CCOC(=O)N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587766685 HJOLKDIQBGWXEV-HWPZZCPQSA-N 371.250 3.180 0 1 FGAF COCCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587771689 WNOTUMGQQAXOKE-GFCCVEGCSA-N 371.294 3.060 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2nccnc12 587584862 BISOSYHPDHAXKG-UZLBHIALSA-N 371.352 3.433 0 1 FGAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587154581 BJGDCCHGMLCEHY-UHFFFAOYSA-N 354.110 3.364 0 1 FGAF CC(=O)N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(C)cc1 587216536 DTVKCMOFVLHDHA-VQIMIIECSA-N 351.410 3.015 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 963607691 JYTLSWQFBAOYKO-DYXXDHDLSA-N 372.509 3.135 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2ccccc2[N+](=O)[O-])COC1(C)C 219806346 RJEVHVDCQCLFSM-GFCCVEGCSA-N 352.387 3.346 0 1 FGAF biogenic O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12430276 CEEXCPIPAVISAB-OAHLLOKOSA-N 370.403 3.418 0 1 FGAF COC(=O)N1C[C@@H](C(C)=O)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13744993 XRUNGFIMYAZVGB-IRXDYDNUSA-N 361.438 3.387 0 1 FGAF CC(C)COC(=O)N1[C@@H](COCc2ccccc2)CCC=CS1(=O)=O 13830844 NJVQPWBNMKGADS-QGZVFWFLSA-N 367.467 3.304 0 1 FGAF COc1cccc(/C=C/C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1O 169312386 WGCJLZVGECWZAI-CMDGGOBGSA-N 359.378 3.079 0 1 FGAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(O)cc2)ccc1OC(C)=O 2356488123 ZPSPQHSDXGZBIM-JWWGGVBKSA-N 370.401 3.401 0 1 FGAF COc1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1O 61852982 ONQCVMVTRRRJOV-SFHVURJKSA-N 350.374 3.113 0 3 FGAF CCc1nc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2[nH]1 26725623 NCEFJTQSAORBEV-UHFFFAOYSA-N 358.833 3.149 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@@H](CCCCCCC[C@H](O)CC(=O)O)CCN21 2356546150 BNVBPCHYPWGIAO-MTHXSQLBSA-N 355.519 3.177 0 1 FGAF CC(C[C@@H]1OC(=O)C2=CCCC(=O)[C@@]21C)=C1C[C@@H](c2ccoc2)OC1=O 2356708689 YSMKTAQFAWMSRW-RIFZZMRRSA-N 356.374 3.195 0 1 FGAF COc1cc2[nH]c(=S)n(Cc3ccncc3)c(=O)c2cc1-c1cnco1 28340536 VNFHNNMUYKQMPA-UHFFFAOYSA-N 366.402 3.166 0 1 FGAF c1cnc(NCc2ccncc2)c(-c2n[nH]c(-c3ccc4c(c3)OCO4)n2)c1 66128554 ABGLJSGHTCBIRA-UHFFFAOYSA-N 372.388 3.270 0 1 FGAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 61946688 SLEIUYBAUZPTKQ-CXNAFLJWSA-N 350.499 3.293 0 3 FGAF COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1OC1CCC1 49032843 HULWFEMZQNQRCA-ZRDIBKRKSA-N 366.417 3.377 0 1 FGAF CCC(CC)n1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)ccc21 45285715 ZFKDVPHSRBHRBJ-UHFFFAOYSA-N 367.317 3.182 0 1 FGAF c1ccc2nc(N3CC(Oc4nccnc4C4CCOCC4)C3)ccc2c1 96168956 XKIFIVCTJQWNDU-UHFFFAOYSA-N 362.433 3.186 0 1 FGAF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C(N)=O)cn2C 95585185 QLZAPAJHMZMKST-UHFFFAOYSA-N 366.417 3.365 0 1 FGAF CO[C@@H]1/C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@H](O)CC[C@@]1(C)O 238785699 MSXZCYVPXWHMLP-BXXNTZBTSA-N 366.498 3.292 0 1 FGAF CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2cccc(OC)c2c1=O 96906853 UKEWDGVHNLPQSC-UHFFFAOYSA-N 367.401 3.244 0 1 FGAF CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F 147104554 BENXRHGKKPMPCO-SFHVURJKSA-N 371.441 3.357 0 1 FGAF O=C1Nc2nc(Nc3ccccc3)nc(O)c2C[C@H]1c1c(F)cccc1F 653918596 GVHZZCIRWQSAQY-NSHDSACASA-N 368.343 3.482 0 1 FGAF COc1ccc2c(c1)c(CCNC(=N)N)cn2Cc1ccc(F)c(F)c1 653796571 DPMGLWKMOCTQAI-UHFFFAOYSA-N 358.392 3.002 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ncccn23)N1 587772270 FGTSCASZQDFITA-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(CCO)cc2[nH]1 587109390 OEFYZYMBBMPMJL-UHFFFAOYSA-N 350.296 3.482 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCOC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O 587456210 SZEPFVHSJCKDCZ-JLMWRMLUSA-N 366.413 3.187 0 1 FGAF Cc1c(Cl)ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587170261 QCQCTTLMJLVSBN-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)o1)CC2=O 587476406 SWZXUKCWMKRZRE-SFHVURJKSA-N 357.406 3.481 0 1 FGAF CCCCCOc1cc2nc(COCCN)[nH]c2cc1Br 587244689 ILSFFVBACFEDKS-UHFFFAOYSA-N 356.264 3.370 0 1 FGAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc(F)ccc12 587634792 FFVPCYCOUSTRIK-INIZCTEOSA-N 360.429 3.404 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ncccn2)N1 587776339 WQPXFKAFDLXKAQ-QLJPJBMISA-N 350.235 3.370 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c3nc(O)ccc13)O2 587395608 SDYZESHOVVHXDC-HXUWFJFHSA-N 350.374 3.417 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587837759 KXFXRMRCJYTUDJ-LQBRZBCFSA-N 368.246 3.408 0 1 FGAF O=C(O)c1cccc2c1CCN[C@]2(c1cccc(Cl)c1)c1ncco1 963136619 ZVMKHUCSLBRQNB-IBGZPJMESA-N 354.793 3.464 0 1 FGAF NC(=S)N(O)Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1 13604041 QHPPUYJJZRSKPT-UHFFFAOYSA-N 373.409 3.495 0 1 FGAF CN(C)CC[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 13684726 CMYRHYWLVRLMEU-INIZCTEOSA-N 360.841 3.492 0 1 FGAF C[C@H](CO)CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14917640 QZBPWZWWRPDXGM-XTNUZHGASA-N 370.401 3.292 0 1 FGAF biogenic C[C@]1(O)C([C@H]2C(=O)Nc3ccc(Br)cc32)=Nc2ccccc21 169692425 RLKULYLGSBYPPJ-WMLDXEAASA-N 357.207 3.479 0 1 FGAF Cc1cccc2nc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nn12 117845690 OLDIOLRFUNEQQG-AWEZNQCLSA-N 367.478 3.301 0 1 FGAF C[C@@H]1CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C[C@@H](C)O1 766839 JMVKKVTWNGBJQR-CHWSQXEVSA-N 368.412 3.074 0 1 FGAF O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1ccccc1O 103215151 DLUGUYHEDQKWHG-UHFFFAOYSA-N 362.414 3.477 0 1 FGAF Fc1ccc(/C=C2\CNC[C@@H]3[C@@H]2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 103231034 JBCXXGLQQIFZNP-VZEHETRGSA-N 371.456 3.155 0 1 FGAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccccc3)n2)c(=O)c1=O)C(C)(C)C 101595870 XEPATAODVVYZFR-GFCCVEGCSA-N 365.437 3.406 0 1 FGAF CN(CCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 28572290 CHZRIUCQCGDOGQ-IBGZPJMESA-N 374.387 3.155 0 1 FGAF O=C(Cc1cccc(CN2CCCC2)c1)OC[C@@H]1COc2ccccc2O1 26500316 GUGHTFGIFGORJK-IBGZPJMESA-N 367.445 3.208 0 1 FGAF COC(=O)C1=C2[C@](C)(C(=O)OC)CCC[C@]2(C)c2cc(C(C)=O)ccc21 2356703098 LQPOHALBCNGILQ-NHCUHLMSSA-N 356.418 3.450 0 1 FGAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](CC(C)C)NC(=O)c1cccnc1-3 61921412 TZVRMHQGBUZPQM-INIZCTEOSA-N 362.433 3.228 0 3 FGAF O=C1NC(=O)c2c1c(-c1ccccc1CO)cc1[nH]c3ccc(O)cc3c21 34804151 UHVYKPSTGAZZLD-UHFFFAOYSA-N 358.353 3.070 0 1 FGAF O=C(c1ccccc1)c1ccc(OC(=O)N2CCN3CCC2CC3)cc1 34054518 AZSLHJRBOOKPRV-UHFFFAOYSA-N 350.418 3.196 0 1 FGAF O=C1NCCN1C1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186468 ZCNRGRXTOHBZMR-LJQANCHMSA-N 370.884 3.314 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 142975243 XBSGAUCAECNNOD-HUUCEWRRSA-N 359.437 3.140 0 1 FGAF CCn1c(=O)n([C@@H]2CCN(CCC(C)(C)C)C[C@H]2CO)c2ccccc21 96888381 SEQKVROZYRULCC-DLBZAZTESA-N 359.514 3.114 0 1 FGAF CO/C=C(\C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C 263638603 WAVDUDGTTMFJQX-CLLRQKIYSA-N 354.450 3.426 0 1 FGAF C[C@H]1CC(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)=NO1 261164416 RNIOQXXATNFODO-NWDGAFQWSA-N 364.409 3.354 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccc(C)n4)ncc23)ccn1 261125018 KAWMWQBHNYSCDX-UHFFFAOYSA-N 373.420 3.353 0 1 FGAF O=c1c2cc(OCCCn3ccnc3)ccc2nc2n1CCc1ccccc1-2 299833812 WYDAWNYRRQAAEA-UHFFFAOYSA-N 372.428 3.285 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586948295 MZGHXCVCUVIPQH-UHFFFAOYSA-N 350.831 3.428 0 1 FGAF C[C@@H](Cn1cccn1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924001 XRONYCWRZHEYAX-LBPRGKRZSA-N 362.480 3.182 0 1 FGAF COC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811292 WJJQBKNMDUVSRC-JDNHERCYSA-N 356.235 3.291 0 1 FGAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587241973 MKDGVIHEHKUUCA-UHFFFAOYSA-N 368.393 3.381 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)NC(=O)CO3)CC2=O 587484835 NWAWOURTZVROHW-SFHVURJKSA-N 353.374 3.382 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 587154016 BNHLUUXRKASZEO-BBATYDOGSA-N 359.788 3.484 0 1 FGAF C[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1C 587356563 KESUGBCCYLUIPJ-RJZSKLBGSA-N 356.349 3.210 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CC(C)(C)Cc2c1cnn2C 963636162 PZUXRRJGTXVZSN-ASSNKEHSSA-N 355.482 3.188 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](C(C)(C)NC(=O)OC(C)(C)C)c3cccc1c32 963023313 JSBXSDIUBRHSJJ-SJKOYZFVSA-N 359.470 3.084 0 1 FGAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(OC)c1O 962622811 CIYUEHJDFVZDLN-BUXKBTBVSA-N 373.449 3.392 0 1 FGAF COc1cc(OC)nc(Sc2ccc(Br)cc2C(=O)O)n1 1857600574 QWCBNNQKSZOEPC-UHFFFAOYSA-N 371.212 3.106 0 1 FGAF CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(C#N)CC1 118181009 UXYWRPKODJHGIP-GJZGRUSLSA-N 353.388 3.467 0 1 FGAF CCOc1nc(N2CC(=O)Nc3cc(OC)ccc32)c2ccccc2n1 1772576548 FSQNZVBBXPAGDX-UHFFFAOYSA-N 350.378 3.127 0 1 FGAF CC(C)C(=O)Nc1ncc([S@](=O)Cc2ncc(C(C)(C)C)o2)s1 13490956 GTTXLAIKLNNNQH-QHCPKHFHSA-N 355.485 3.331 0 1 FGAF CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(OC)c3)nc2n1 169711823 YBERBXAVYCSDAR-UHFFFAOYSA-N 352.398 3.227 0 1 FGAF O=C(O)CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1 164842863 BYXPKWYBTIPRJK-UHFFFAOYSA-N 351.341 3.171 0 1 FGAF Cc1nc([C@H](CC2CC2)NC(=O)c2ccc(C)c(OCC3CC3)n2)no1 207729014 IYPSOOSCLWKOPI-INIZCTEOSA-N 356.426 3.141 0 1 FGAF COc1ccc(-c2ncnc(-c3ccc(OC)c(OC)c3)n2)cc1OC 1649390 ZTMWQBSJCZHMJR-UHFFFAOYSA-N 353.378 3.240 0 1 FGAF COc1cc(C[C@H]2C(=O)OC[C@@]2(C)Cc2ccc(O)c(OC)c2)ccc1O 2356356251 ZAMXGUXQNPYBCF-YCRPNKLZSA-N 372.417 3.080 0 1 FGAF Cc1ccsc1[C@@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1 100276004 CSSARJKEGIDOKL-CABCVRRESA-N 369.398 3.394 0 1 FGAF NC(=O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)c(Cl)c1 29047780 MHMAAFIIFGJJGY-UHFFFAOYSA-N 368.820 3.228 0 1 FGAF O=C(NCc1ccncc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61926197 SHLHAHMHJHYNAE-SFHVURJKSA-N 365.820 3.417 0 3 FGAF CC[C@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 25964770 GCWWSHKYTXQPPO-HXUWFJFHSA-N 350.349 3.057 0 1 FGAF CC(C)C(=O)Nc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1 28016964 ZOINOPVMBIRCJK-UHFFFAOYSA-N 356.494 3.141 0 1 FGAF C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2 36520297 YNTPOJIODZIOEU-ACJLOTCBSA-N 359.420 3.362 0 1 FGAF COc1cc(-c2coc3cc(O)c(C)c(OC)c3c2=O)cc(OC)c1O 14647633 OLIPEHSMFXJMDS-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccn1 147822700 WSQOKZJFLFOZQV-CZUORRHYSA-N 363.417 3.209 0 1 FGAF c1ccc2nc(N3CC(Oc4nccnc4N4CCCCC4)C3)ccc2c1 96168705 UWKGGSRAFMSBPH-UHFFFAOYSA-N 361.449 3.283 0 1 FGAF C[C@H](OC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)c1ccccc1 377602842 XYLGLGFZLQRDKD-NSHDSACASA-O 369.788 3.302 0 1 FGAF COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@]1(C)c1ccccc1 299841362 ZKOYDZUUECJQQX-RTWAWAEBSA-N 354.402 3.259 0 1 FGAF CCCNC(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 299825750 JRUWIGKSUXQSON-UHFFFAOYSA-N 354.458 3.361 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1 586920638 OLSSCDGURXOFER-UHFFFAOYSA-N 354.790 3.338 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1-n1cncn1)[C@@H](C2)C3=O 587418426 HLTSSBOMURXGHU-IFXJQAMLSA-N 367.792 3.418 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1N)CC2=O 587473432 UUALDOXXZZGAEX-GOSISDBHSA-N 355.390 3.420 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)(C(O)O)CC2=O 587489770 OYBMLTYTOOEMEK-NRFANRHFSA-N 356.418 3.079 0 1 FGAF NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 586930156 NCFYYKNOKTXCDH-UHFFFAOYSA-N 356.234 3.325 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1 586941398 SPWVQVIJWIJRIJ-VQHVLOKHSA-N 362.842 3.010 0 1 FGAF CCO[C@@H](C)c1ccc([C@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433970 YJJGBTGXDZOWQC-CYYCYGDNSA-N 367.445 3.394 0 1 FGAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587950286 AQXRSOMNUKQCIA-HSMVNMDESA-N 351.472 3.257 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1O[C@H](C)C(=O)O)[C@@H](C2)C3=O 587438759 HRUYRIOTGNIKDI-MPSXMAJESA-N 354.358 3.036 0 1 FGAF CC(C)(SCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)O 586960080 RMWSFYHXNJOGHM-UHFFFAOYSA-N 373.228 3.120 0 1 FGAF O=C1CC=Cn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587589980 ZCVVPODHZQZDCT-FXAWDEMLSA-N 374.352 3.349 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCN3CCC[C@@H]32)N1 963188991 UYWJAQVQUXQDHJ-HWWQOWPSSA-N 374.790 3.021 0 1 FGAF Cc1c(O)ccc2c1[C@@H](C=C(C(F)(F)F)C(F)(F)F)N[C@H](C(=O)O)C2 963556387 XDRIEBAEZZDTFT-BDAKNGLRSA-N 369.261 3.392 0 1 FGAF c1ccc2c([C@H]3CC(c4ccc(OCC5=NCCO5)cc4)=NN3)c[nH]c2c1 1772631347 PBFMWBMRQHSLGQ-HXUWFJFHSA-N 360.417 3.414 0 1 FGAF N[C@H]1CN(CCCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 14958784 HUNOXIPHZLUZRW-BEFAXECRSA-N 362.395 3.380 0 1 FGAF COc1cc(C(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(OC)n1 169705192 BLIRZRFMHVQPCE-UHFFFAOYSA-N 362.817 3.127 0 1 FGAF CS(=O)(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3955739 JPJOJIPNBUUWJQ-UHFFFAOYSA-N 370.518 3.133 0 1 FGAF O=C(C1CCN(c2ccncn2)CC1)N1CCC(Cc2ccccc2)CC1 1857543659 DICSTPGRRBVXCA-UHFFFAOYSA-N 364.493 3.174 0 1 FGAF CCCC(=O)N1CCC[C@@H](N2CCC(c3ncccc3OC)CC2)CC1 1857562689 ABPDXVBJHAUXMG-GOSISDBHSA-N 359.514 3.451 0 1 FGAF C[C@@]12C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 1857631082 KFONERHHCLKHTM-UCWNZCKUSA-N 350.455 3.156 0 1 FGAF O[C@H](Cn1cncn1)Cn1c2ccccc2c2ccc(Br)cc21 1857648407 LOHIUCVIJBVXIC-CYBMUJFWSA-N 371.238 3.210 0 1 FGAF COc1ccc2c(c1)O[C@@H](COc1ccc(CCC(=O)O)c(F)c1)CO2 1857770405 QOXZMLZKTCPDMQ-HNNXBMFYSA-N 362.353 3.070 0 1 FGAF CC1=C[C@H](O)[C@@H](O)C=CC=CC=CC=CC=C[C@H](C)CNC(=O)C=CC=C1 2356326045 UCCPCDUFJCGUEI-FKBYEOEOSA-N 367.489 3.314 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C(=O)NCCO 58582251 LUJZWAPODPEMIZ-RJTQVDJPSA-N 373.537 3.345 0 1 FGAF CCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CCO)CC1 28004652 BJTTUIAZZCVYIC-UHFFFAOYSA-N 356.495 3.056 0 1 FGAF O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1C1CCNCC1 27759572 AIOGASHRXVAQQC-UHFFFAOYSA-N 353.853 3.276 0 1 FGAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116828626 DJPBNQLBPNZGFT-GHTZIAJQSA-N 370.456 3.413 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H](O)C(=O)O 211153586 MBFXNYXLPHWLJQ-YVQWJJCUSA-N 350.499 3.452 0 1 FGAF COc1ccc2c(c1)Sc1ccccc1[C@@H](N1CCN(CCO)CC1)C2 45192963 UIWBFHPUMNVMAI-IBGZPJMESA-N 370.518 3.054 0 1 FGAF Cc1ccnc(NC(=S)N2CCN(c3ccc4ccccc4n3)CC2)c1 95568822 IZVUEODHJWUZTN-UHFFFAOYSA-N 363.490 3.457 0 1 FGAF Cc1ccc2c(c1)CN(CC(=O)N[C@H]1CCc3ccccc31)C[C@H](C)O2 244763804 OVYAQLXZAVFDFG-JXFKEZNVSA-N 350.462 3.382 0 1 FGAF CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1 653732530 SXGWUBXJWAUYRH-UHFFFAOYSA-N 366.509 3.039 0 1 FGAF COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1F 586966941 MOHIKGVTOWQDDB-UHFFFAOYSA-N 357.370 3.448 0 1 FGAF O=C(O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587527258 UDXOIDAYOSYPQW-OAQYLSRUSA-N 363.369 3.076 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](C(C)=O)C(=O)OCC)CC2=O 587478813 HGRDVCDFCKXNNS-MGPUTAFESA-N 362.422 3.227 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(F)ccc1OC)CC2=O 587466757 MOBKZDAMPWPELB-HXUWFJFHSA-N 374.364 3.438 0 1 FGAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2cc(F)ccc12 587636962 QWGSGZBVUWFIEH-UHFFFAOYSA-N 350.349 3.348 0 1 FGAF CC[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582447 PRLQPCIVUPVTRA-YLJYHZDGSA-N 350.374 3.393 0 1 FGAF COC(=O)c1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2n1 587927856 YKQYVTXQRQKHNA-LLVKDONJSA-N 355.394 3.108 0 1 FGAF COc1cc2c3c(c1)O[C@](c1cccnc1)(C1CCOCC1)[C@@H](C2)C3=O 587436768 STEJCOVZDFEHMD-UWJYYQICSA-N 351.402 3.160 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(O)cc1O 587612813 WOCQVPUSLRSUAE-PXNSSMCTSA-N 366.325 3.212 0 1 FGAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)C2 586883553 BYQNPMMKXKISIQ-YESZJQIVSA-N 351.450 3.034 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587231530 PBKNSYIAZQOXPS-ZJUUUORDSA-N 355.360 3.017 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(C(C)(C)C)CC2=O 587482686 UZRBPWAIRFNAFB-HXUWFJFHSA-N 362.422 3.227 0 1 FGAF 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COc1ccc(-c2c(-c3cc(OC)c4c(c3)OCCO4)noc2N)cc1 103265704 WJRICPLZBGOGJX-UHFFFAOYSA-N 354.362 3.379 0 1 FGAF CCn1c(=O)c2cnc3c(OC)cccc3c2n(C2CCC(C)CC2)c1=O 117792013 DLVHYSMNJZZBJZ-UHFFFAOYSA-N 367.449 3.491 0 1 FGAF c1ncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1 114773202 CBJYLPPVNIUKCN-UHFFFAOYSA-N 374.404 3.035 0 1 FGAF CCCCN(C)[C@@H]1c2ccccc2C2(CCN(Cc3ncc[nH]3)CC2)[C@H]1O 20205570 KOJQCFUPKQDUFH-RTWAWAEBSA-N 368.525 3.091 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C(O)C[C@@]13COC(=O)C1=CCC[C@H]32 2356531495 AHNAHYGLOSJRIT-HRYATBACSA-N 356.374 3.369 0 1 FGAF CNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1 73224544 LDKCNCXJCVADEV-UHFFFAOYSA-N 368.249 3.388 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N(C)C(C)(C)C 223410139 SAWCQUAVBDKEJR-UHFFFAOYSA-N 363.465 3.454 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069466 UULQOUXNZVMNDE-QGZVFWFLSA-N 369.465 3.419 0 1 FGAF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccccc2F)cs1 82192122 KDUZQSWWTAYMLZ-HNNXBMFYSA-N 373.457 3.220 0 1 FGAF CCCCNC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085713 WSBSVIMJDONELC-UHFFFAOYSA-N 365.886 3.452 0 1 FGAF NC(=O)N1CCCc2cc(-c3cncc(C4=CCSCC4)c3)cnc21 221460972 QEHQVDSWBCTPRQ-UHFFFAOYSA-N 352.463 3.495 0 1 FGAF Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95921163 ZWYPXJQSZOXLSP-NQIIRXRSSA-N 368.525 3.236 0 1 FGAF in-vitro CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 25410516 MKSZKPPEUSZZDQ-QZTJIDSGSA-N 371.481 3.272 0 1 FGAF biogenic CCCCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CCCN1 148366427 MCNHRZVPBHWKHL-OALUTQOASA-N 365.562 3.376 0 1 FGAF Cn1cccc1[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 146171891 VPDWGCDHACDQAX-LSKLOWJMSA-N 363.433 3.338 0 1 FGAF COc1ccc(NC(=O)c2c(NO)cc(-c3cccs3)oc2=O)cc1 473159859 XXJAPCXFTVFWKF-UHFFFAOYSA-N 358.375 3.430 0 1 FGAF CC(C)Cc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299876349 FNQJXOZANFNETO-AUUYWEPGSA-N 366.465 3.487 0 1 FGAF O=C(O)c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1F 587155810 SPQWWYUZJIQSRJ-UHFFFAOYSA-N 354.110 3.364 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1/SCC(=O)N1C)(c1ccco1)O2 587413223 FQNZUCXMOQZOTD-KFVRLDSISA-N 370.430 3.078 0 1 FGAF Cn1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)c1 587114949 ALGKUJGQFKCUEZ-UHFFFAOYSA-N 364.371 3.419 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(C)nccc4[nH]3)cc12 587038989 WJMVDHFGVWNXII-JTQLQIEISA-N 354.439 3.014 0 1 FGAF Cc1cnc(N)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587747842 SMCGOODBFJQBFK-BJOHPYRUSA-N 350.235 3.497 0 1 FGAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2c(C(=O)O)cccc12 587638380 OWDTZELFPBINLN-UHFFFAOYSA-N 360.410 3.445 0 1 FGAF COC(=O)c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cn1 587135280 WOPCOSDVSAYOQV-UHFFFAOYSA-N 357.288 3.257 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587236119 SMADOENQIKSNNT-RNFRBKRXSA-N 362.149 3.194 0 1 FGAF COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cn1 587000941 AXDWOQAZKPHZCY-UHFFFAOYSA-N 372.226 3.321 0 1 FGAF CC(=O)c1c(-c2cnn(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623360 QYIMCKZWICOUND-UHFFFAOYSA-N 358.199 3.410 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)nc1OC)[C@@H](C2)C3=O 587441522 GDWSMYPLEQEWEW-YWZLYKJASA-N 366.417 3.188 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCC[C@@H]1C2 587589682 PMIDIVYSURHWAA-IBZMOEQTSA-N 351.402 3.351 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 587245531 YWKSJUDMEDOEDW-ZHACJKMWSA-N 355.419 3.008 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(/C(=C\N(C)C)C(=O)OCC)CC2=O 587470391 TWQYZXXONPZTGX-NLBZTSMMSA-N 361.438 3.077 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccco1)C(=O)O 587617644 QCQYPPBQMCZQHB-OXJNMPFZSA-N 366.325 3.013 0 1 FGAF COc1cncc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586974990 ZUUIJNJJUJPLPG-OAHLLOKOSA-N 356.451 3.077 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]ccc2=N)N1 587748764 YIYANMARRMGOJV-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF Cc1oc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962714915 RQTVIJHVWHTLBS-SUMWQHHRSA-N 367.323 3.195 0 1 FGAF O=C(O)c1cc(F)cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962767543 PNGWEJPTEXADJZ-HUUCEWRRSA-N 367.298 3.259 0 1 FGAF Cc1cccc(CCS(=O)(=O)n2c(O)nc3ccc(Cl)cc32)c1 1772627783 JJPNMXNPBPCTHG-UHFFFAOYSA-N 350.827 3.124 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](C(=O)OCCF)C[C@@H]2O 13518480 OCDIYJRUTRWPHT-HDZJJSNZSA-N 362.441 3.348 0 1 FGAF C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(Br)cc1)C(C)(C)C 13806366 DTDWCAUAESAVLC-XYBJFDFNSA-N 351.244 3.304 0 1 FGAF COc1ccc(Cc2nccc3ccccc23)c(NC(=O)[C@H](C)N)c1OC 169323669 JJFKOVBNJBUJMB-ZDUSSCGKSA-N 365.433 3.129 0 1 FGAF OCc1cn(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nn1 1857761307 QFVHVIRMEOEVAY-UHFFFAOYSA-N 365.824 3.325 0 1 FGAF C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 2952699 AXMHGSBHRYWPLA-GUYCJALGSA-N 369.465 3.113 0 1 FGAF CCCn1c(=O)c2[nH]c(C[C@H](C)c3ccccc3)nc2n(CCC)c1=O 3809567 RGQUABXNCRATEQ-AWEZNQCLSA-N 354.454 3.053 0 1 FGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049420 LGUXNDBLJVKJLI-MJGOQNOKSA-N 371.506 3.298 0 1 FGAF CCCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1CCCOC 4878423 BRALNMLRUUSOBD-HUUCEWRRSA-N 368.547 3.149 0 3 FGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)[C@@H]1C 6420187 JRYSSTWOPBIEJX-JJRVBVJISA-N 363.429 3.273 0 1 FGAF CC1=C[C@H](O)C[C@](C)(O)CC=C[C@H](C(C)C)CC[C@](C)(O)[C@@H](O)CC1 2356455279 NANZSPCGNXRSPO-FCMAGTKHSA-N 354.531 3.339 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN[C@H]2[C@H](C(C)C)[C@@H](O)C[C@@]13C 2356558414 YULGNBRYMYBJBM-UCPNGTDDSA-N 373.537 3.297 0 1 FGAF CC[C@@H]1CN(C)C[C@H]2[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@@H]2C(=O)OC 2356681988 CGNGBKBFEZALRJ-CTYUOQFJSA-N 354.450 3.215 0 1 FGAF CCN(CC)CCN(C(C)=O)[C@@H]1c2ccccc2OCc2ncccc21 27877962 XVYMBVCFYNMSTC-NRFANRHFSA-N 353.466 3.254 0 1 FGAF C[C@H]1C[C@H]2C[C@@H](C)[C@@](C)(NC=O)[C@H]3CC[C@H]4[C@H]([C@H]23)[C@@H]1CC[C@]4(C)NC=O 72937885 SJUBXKFUQQKUEC-OXEUSEQRSA-N 360.542 3.360 0 1 FGAF COc1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1 36380174 HTGWZEXCLHOICY-UHFFFAOYSA-N 356.436 3.042 0 3 FGAF C=C(c1c(Cl)cc(Cl)cc1OC[C@H](O)CNC(C)C)n1ccnc1 40466255 GPFBLKJURPGHRB-CQSZACIVSA-N 370.280 3.447 0 1 FGAF CCCNC(=O)c1ccc(Oc2nc(-c3c(C)noc3C)cnc2N)cc1 1911576887 YLQOKEHNPHRXAA-UHFFFAOYSA-N 367.409 3.263 0 1 FGAF CCOc1ccccc1-c1nc(C(=O)NCCCN2CCCC2)cs1 82074960 DBPYXJQJBXFUPN-UHFFFAOYSA-N 359.495 3.425 0 1 FGAF O=C1O/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccccn1 84586537 BNWXZHFAZVOSHI-WQLSENKSSA-N 361.151 3.074 0 1 FGAF O=C1CCCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139738475 RJDRGJXDSSFYHV-UHFFFAOYSA-N 369.440 3.286 0 1 FGAF C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211067 QAVYOBOYYIBVDZ-ZDUSSCGKSA-N 374.510 3.250 0 1 FGAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(O[C@H]3CCOC3)cn2)cc1 96167487 HAMNIEOBTDALEA-QRWLVFNGSA-N 370.449 3.499 0 1 FGAF CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc21 253639057 VRGIDUUVTFCUIU-SHTZXODSSA-N 370.432 3.444 0 1 FGAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccccn2)C[C@H]1C(C)C 30881133 PVGPXZTURQHHPK-BJLQDIEVSA-N 357.498 3.079 0 1 FGAF biogenic FC(F)(F)Oc1cc(Br)cc2nc(CC3OCCO3)[nH]c12 586907468 GPEORNGSNGSDDW-UHFFFAOYSA-N 367.121 3.139 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(C)cc1 587206003 IUBMQJLJGBPDOC-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncnn2c1 587586560 KRLHHPZZYUSKAF-FXAWDEMLSA-N 359.341 3.138 0 1 FGAF CCN1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587401664 WBEAQIPFJZESJA-NRFANRHFSA-N 365.477 3.426 0 1 FGAF Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144223 GDAGICZBKAASSB-UHFFFAOYSA-N 363.352 3.415 0 1 FGAF COC(=O)[C@@]1(/C=C(\C)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803800 BXTBRXXDIHUIKB-SJPYQPTBSA-N 372.234 3.041 0 1 FGAF CC(C)(C)c1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586960492 YJJRJTDGDWHYFB-LJQANCHMSA-N 373.478 3.329 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2nccnc12 587584861 BISOSYHPDHAXKG-OXQOHEQNSA-N 371.352 3.433 0 1 FGAF CCOC(=O)N1CCC[C@H](N2CCC(c3ncccc3OC)CC2)CC1 220909476 GWGLXRCCVIVRSY-KRWDZBQOSA-N 361.486 3.281 0 1 FGAF CO[C@H]1c2cc(O)ccc2OC[C@H]1[C@@H]1COc2ccc(O)cc2[C@@H]1OC 13376915 LYWCCZPPJCEHSB-FVCZOJIISA-N 358.390 3.190 0 1 FGAF O=C(c1cccc(F)c1)N1CCn2nc(COc3ccc(F)cc3)cc2C1 168084274 LULDKPZVRYFHMS-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF O=C(COc1ccc(Cl)cc1)NCC(=O)N[C@@H]1CCCc2ccccc21 200150551 SXQUJOOWPKBWTG-GOSISDBHSA-N 372.852 3.029 0 1 FGAF Cc1ccc2c(c1)N(CC(=O)N1CCC(C)CC1)C(=O)c1cccnc1O2 6878088 DJCPFGBSUCCCKU-UHFFFAOYSA-N 365.433 3.401 0 3 FGAF O=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1 4238408 AXVMPJZAGPZGCJ-UHFFFAOYSA-N 358.401 3.008 0 1 FGAF CN(c1ccccc1)[C@@H](c1ccc(F)cc1)c1nnnn1C[C@@H]1CCCO1 1224646 KTRHXHKCTSKFGP-OALUTQOASA-N 367.428 3.217 0 3 FGAF COC1(OC)C[C@@H]2CCCCC2=C(C)N1S(=O)(=O)c1ccccc1 1620041 JESBBHBZNOCVQK-HNNXBMFYSA-N 351.468 3.492 0 1 FGAF CCN(CC)C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 2460391 MEOFYFSVIGCAHK-UHFFFAOYSA-N 360.454 3.157 0 1 FGAF Cc1ccc(CS(=O)(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 4708529 IIKNPOQDTIJQEH-XYJFISCASA-N 351.512 3.241 0 1 FGAF COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c1O 2356388630 LTMJJMNIPUQFPU-UHFFFAOYSA-N 374.389 3.351 0 1 FGAF O=C(NCc1ccccc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61927173 YYPJHVRXMYURIX-FQEVSTJZSA-N 374.396 3.097 0 3 FGAF CCc1cc(Br)ccc1C/N=c1\c(O)c(O)\c1=N/C(C)(C)C 28226371 BTDXSHKANKBBQT-AXPXABNXSA-N 365.271 3.098 0 1 FGAF COC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525509 QBPSDADGAHTBDN-NRFANRHFSA-N 371.433 3.353 0 1 FGAF C[C@H](O)CC(=O)c1c(O)ccc([C@H]2C[C@@H](C)Oc3cccc(O)c32)c1O 2356720405 ZBJNIZLABZVQSD-DMDPSCGWSA-N 358.390 3.060 0 1 FGAF CC[C@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1c(O)cccc14)[C@@H]32 2356786710 SMRLIFHXJVRKLX-PCCBWWKXSA-N 354.450 3.151 0 1 FGAF COCCNC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)CC1 61928005 HJBBPLLIGALSIK-OAHLLOKOSA-N 358.404 3.070 0 3 FGAF O=c1cc(-c2ccc3c(c2)OCO3)nc2nc(-c3ccc(Cl)cc3)[nH]n12 219613261 RAOAMFJWZVSJEJ-UHFFFAOYSA-N 366.764 3.134 0 1 FGAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(N)cc2)NC(=O)N1 73296719 JGKPOCPXFYHFQO-GOSISDBHSA-N 357.454 3.410 0 1 FGAF O=C(Cc1cccnc1)N1CCC(c2nc(-c3cccs3)no2)CC1 71296211 GAFCKAQGCZOGJA-UHFFFAOYSA-N 354.435 3.142 0 1 FGAF O=C(CNC(=O)c1coc(-c2cccs2)n1)NCCC1=CCCCC1 82084794 DEEFXZDHOFAFEJ-UHFFFAOYSA-N 359.451 3.140 0 1 FGAF NCc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)O)c1 96286493 IGQRXPNMALPSCN-UHFFFAOYSA-N 365.364 3.297 0 1 FGAF NC(=O)c1cnc(Nc2cccnc2)c2nc(-c3ccc(Cl)cc3)cn12 96269922 LXWWMTCZURVURW-UHFFFAOYSA-N 364.796 3.287 0 1 FGAF COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccn4)n3n2)c1 299830200 LNYHSAYUBONNKM-UHFFFAOYSA-N 365.418 3.355 0 1 FGAF Cn1cc(-c2ccc(-c3cncc4ccc(N5CCNC5=O)nc34)cc2)cn1 653834580 YXVVCWWWIWRJKH-UHFFFAOYSA-N 370.416 3.227 0 1 FGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(S)nc(S)nc2[nH]1 587927003 MXTOEBUZFDWFRE-VIFPVBQESA-N 362.480 3.489 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCCc1ccccc1)O2 587388158 XBTSRIQOBAITBK-NRFANRHFSA-N 352.434 3.050 0 1 FGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CC(=O)O 587399159 IVBFVIKBOGSPRE-HXUWFJFHSA-N 355.390 3.094 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccnc3)c2c1 587648926 JSTQASGVTKRYPI-UHFFFAOYSA-N 368.336 3.216 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1 13475364 DMSCXFUGACMGTF-KRWDZBQOSA-N 358.482 3.360 0 1 FGAF CCN1Cc2cc(OC)c(OC)cc2[C@@H]2[C@H]1c1cc3c(cc1[C@@H]2O)OCO3 13652372 SSGNGVLYCPMSSV-NJYVYQBISA-N 369.417 3.140 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN1[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]35 169290552 WSCFZTLXQHUMEA-ZKISTSPLSA-N 354.538 3.029 0 1 FGAF CN(C)c1nc(CN2CCOCC2)nc2sc(Cc3ccccc3)cc12 1857578076 NDCADSRRPHANPO-UHFFFAOYSA-N 368.506 3.180 0 1 FGAF COCc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc32)n1 66065969 OCIHURYPYFZKKV-FQEVSTJZSA-N 354.498 3.242 0 1 FGAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 27882265 BZBFPIVJFSFMTP-UHFFFAOYSA-N 372.446 3.311 0 1 FGAF COc1cccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc(C)c3ncccc3c2)n1 115595723 UEAGEEKWWUCZEW-RFTFHOITSA-N 360.417 3.201 0 1 FGAF C=C(c1ccc(Cl)c(Cl)c1OC[C@H](O)CNC(C)C)n1ccnc1 34593741 BVIJFOPNBABOAV-CYBMUJFWSA-N 370.280 3.447 0 1 FGAF N=C(N)c1ccc2nc(-c3ccc(-c4ccc(C(=N)N)c(F)c4)o3)[nH]c2c1 66104591 MRBYTMOJFRKMCE-UHFFFAOYSA-N 362.368 3.197 0 1 FGAF CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)no1 66129063 FMXKABDOJZOYKY-OAHLLOKOSA-N 354.385 3.369 0 1 FGAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(C(C)=O)cc1)C2 36384251 FXIYVRDEGFOHBN-FUHWJXTLSA-N 370.449 3.172 0 3 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](OCCO)(c1ccccc1)C(=O)N2 219549143 JSUDZZZSRPRECU-NRFANRHFSA-N 364.401 3.163 0 1 FGAF CC(C)c1nnnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 72113228 IYUTUTQAPBTSKQ-IAGOWNOFSA-N 366.296 3.425 0 1 FGAF Cc1c(Br)[nH]c(-c2nccc3[nH]c(N)nc23)c1Br 45299755 VBRCDYCWCJBWLE-UHFFFAOYSA-N 371.036 3.369 0 1 FGAF Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc2c(O)cc(O)cc2O)c1 14823561 OXFVHFABBAINFL-UHFFFAOYSA-N 374.301 3.210 0 1 FGAF biogenic,in-vivo CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(F)c(Cl)c2)C(=O)O1 40845519 KAELNCPCBLGJNR-VQANOXKBSA-N 370.804 3.130 0 1 FGAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccccc3)c(=O)n21 82211535 WUSYIXNWJYRADT-OAHLLOKOSA-N 368.481 3.037 0 1 FGAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCC1CCCCC1 82083011 SVUJILYHMNXXAK-GFCCVEGCSA-N 361.467 3.218 0 1 FGAF COc1ccc(OC)c(CCNc2nc(N3CCC[C@@H]3C)ncc2C)c1 82202730 GZMRDWMPGISYPX-HNNXBMFYSA-N 356.470 3.446 0 1 FGAF CCOc1ccc(CCNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1 82203948 GOXUWSPRRLUBAO-CALCHBBNSA-N 370.497 3.452 0 1 FGAF O=C(N[C@H](Cc1cccc(F)c1)c1nn[nH]n1)c1ccc2ccccc2c1 96273553 BVKCXNRNOXUDSQ-GOSISDBHSA-N 361.380 3.206 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1cccnc1)[C@@H](C2)C3=O 587437248 YSKCXHJMBUWKNP-AVRDEDQJSA-N 358.397 3.371 0 1 FGAF CN1CCOc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587518331 GDHMYUMARIZPBT-SFHVURJKSA-N 350.418 3.496 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)cnc(Cl)c2[nH]1 587223716 DOXXENQEZPDNNF-VIFPVBQESA-N 365.220 3.348 0 1 FGAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(I)cc2[nH]1 587963947 WPRQDOJCUUIJJZ-IUCAKERBSA-N 354.191 3.325 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433748 VUFKAFOAYXBATM-KPHUOKFYSA-N 359.422 3.259 0 1 FGAF CSc1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1 587532837 OZMUJEAJRANBHW-LJQANCHMSA-N 355.463 3.370 0 1 FGAF CCOC(=O)CCc1c(-c2ccccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587650943 HZXFACQHNXAULB-UHFFFAOYSA-N 372.446 3.129 0 1 FGAF Cc1sc(=N)[nH]c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610418 FURVPDAKGGDYRY-IFXJQAMLSA-N 368.414 3.447 0 1 FGAF Cc1nc2ccccc2nc1[C@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963022728 HIXYRCNTFMUOBH-RCDICMHDSA-N 358.445 3.255 0 1 FGAF COc1ccc(-c2ccc3ncnc(O[C@@H]4CCN(C)C4)c3c2)cc1OC 1772574662 JBCVLFFNJOTCGR-MRXNPFEDSA-N 365.433 3.397 0 1 FGAF CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)[C@H]1CCOC1 12373241 VQDWCOJKAASKCV-SFHVURJKSA-N 364.917 3.089 0 1 FGAF O=C(O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 12482589 NICMVQKDZOBTSA-DOMZBBRYSA-N 371.227 3.037 0 3 FGAF COc1ccc2c(c1)c(CCN(C)C)c(C)n2S(=O)(=O)c1ccccc1 13864766 DNOJEKLHKJAPCC-UHFFFAOYSA-N 372.490 3.299 0 1 FGAF COc1cc(CCCOC(=O)/C=C/c2ccc(O)cc2)cc(OC)c1O 14818083 BFTMKSXKMKODMB-JXMROGBWSA-N 358.390 3.304 0 1 FGAF Cc1cc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c(C)c1 1857619369 RKPYDQROJJLMAE-UHFFFAOYSA-N 368.414 3.305 0 1 FGAF CCOC(=O)c1ccccc1NC(=O)Cc1c(C(=O)O)[nH]c2ccccc12 3906710 QQLFCGOMKMDUDT-UHFFFAOYSA-N 366.373 3.224 0 1 FGAF O=C(NCc1ccccc1F)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 4965607 NEIDTFLGLJNBBA-MRXNPFEDSA-N 361.461 3.196 0 3 FGAF C[C@H]1CCC[C@H](NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H]1C 6199843 JSQSSPDCCNZCIL-CWSCBRNRSA-N 364.795 3.461 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 100061106 HFDAIKHXHSHODJ-FRYIKTPZSA-N 352.434 3.154 0 1 FGAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1 117366909 OYGLTKXMFGWXJT-CQSZACIVSA-N 355.482 3.099 0 1 FGAF OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCN1Cc1ccccc1 22933551 GUWKYRLNUJNZHT-GOSISDBHSA-N 371.550 3.091 0 3 FGAF O=C(N[C@H](CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 63298167 OEEGUWWPGAZRIJ-LJQANCHMSA-N 362.433 3.095 0 1 FGAF CC(=O)Nc1cccc(Oc2nc(NCCN(C)C)nc3ccsc23)c1 61895920 LUGHYTZOUQLDTM-UHFFFAOYSA-N 371.466 3.416 0 3 FGAF CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 61895667 XOPBFODKGUAZFV-LBPRGKRZSA-N 359.344 3.391 0 3 FGAF COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@H](C2)N(C)CC4)OCO3 13375397 SIUUPYUVEJGARI-AWEZNQCLSA-N 369.417 3.193 0 1 FGAF biogenic O=C(OCCF)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)N2 36271428 VLIANQRCIMWNHF-CBBWQLFWSA-N 356.235 3.186 0 1 FGAF CC(C)[C@]1(C)Cc2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 39220333 IIONFMPBFALGSE-HNNXBMFYSA-N 355.225 3.487 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NCC(F)F 222227044 MDXOTNRTTAMQJG-MRVPVSSYSA-N 357.364 3.415 0 1 FGAF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)O2)cc(OC)c1OC 40764241 QMYBWWRRZFIFLV-LJQANCHMSA-N 374.368 3.091 0 1 FGAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1ccccc1F 95596453 PARCRXZDCBEXKK-UHFFFAOYSA-N 356.353 3.180 0 1 FGAF Cc1cc2cc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)n(C)c2cn1 299825400 JEWNWDVCPPSWTG-UHFFFAOYSA-N 362.477 3.142 0 1 FGAF Cn1cc(-c2ccc(Cn3nc4c5ccccc5[nH]cc-4c3=O)cc2)cn1 299822913 QETYARNYPZDSTF-UHFFFAOYSA-N 355.401 3.278 0 1 FGAF Cn1cc(-c2ncc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)s2)cn1 587021581 MHMXERISMBBVEE-UHFFFAOYSA-N 365.397 3.412 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ncc[nH]c-3n2)cc1 586950546 YQYLWKAIKXIKIT-UHFFFAOYSA-N 365.418 3.081 0 1 FGAF NC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580985 UNGUKAKEZYJFFU-FXAWDEMLSA-N 361.353 3.194 0 1 FGAF O=S(=O)(/C=C/c1nc2cncc(Br)c2[nH]1)c1ccccc1 586925252 XWPQFTZAUNBZSK-VOTSOKGWSA-N 364.224 3.165 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccco2)(C(=O)O)N1 587832195 ZITROCZMKZYPBO-JDNHERCYSA-N 368.202 3.238 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(F)cc1)[C@@H](C2)C3=O 587429687 WIGYLWQBRIHBTB-YWZLYKJASA-N 355.365 3.369 0 1 FGAF COC(=O)c1cccc2c1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443881 QJNGCHOUHWUGJL-IIBYNOLFSA-N 350.370 3.071 0 1 FGAF O=C1C[C@H](CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587518014 YTJKMYCIYVRSKR-CQSZACIVSA-N 361.397 3.195 0 1 FGAF CCOC(=O)[C@@H](C)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526460 TXPRXPQFFIMGDF-LRTDBIEQSA-N 374.433 3.032 0 1 FGAF COc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391497 UODOHYALHKAHOA-HXUWFJFHSA-N 354.406 3.339 0 1 FGAF CCOC(=O)Cc1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587251588 JMMQGZCXHNCIPE-UHFFFAOYSA-N 351.406 3.066 0 1 FGAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617806 QZAUDCXWSLXBPH-CRAIPNDOSA-N 352.298 3.386 0 1 FGAF Cc1cnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 587018951 CFCDDTPGVAFVOM-UHFFFAOYSA-N 365.418 3.272 0 1 FGAF COc1cncc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198361 HPAREFYZNXGIEO-UHFFFAOYSA-N 373.416 3.492 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(CO)cc3[nH]2)cs1 587014813 ZOKWPBCKKNGVCP-UHFFFAOYSA-N 360.439 3.203 0 1 FGAF C[C@]1([C@@H]2COCCO2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644122 RATLADLQDPEMDQ-ACIOBRDBSA-N 364.489 3.064 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c(O)[nH]c3cc(Cl)ccc23)N1 962905391 PPCSSQFXRREBKX-HOCLYGCPSA-N 360.772 3.354 0 1 FGAF c1ccc(CCN[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772592700 RAYNZHXRGJCCNG-CALCHBBNSA-N 360.465 3.464 0 1 FGAF Cc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C 1772630376 WNTOXMAGPDYDCR-UHFFFAOYSA-N 371.396 3.139 0 1 FGAF COc1cc2cc[n+]3c(c2cc1OC)Cc1ccc(OC)c(OC)c1C3 1772613285 PFEINAVVNRNVCE-UHFFFAOYSA-N 352.410 3.114 0 1 FGAF Cc1nc(=O)c2c(C)nc(-c3c(C)nn(C)c3-c3ccc(Cl)cc3)n2[nH]1 1772590802 VOAAJHYXNJPTNA-UHFFFAOYSA-N 368.828 3.064 0 1 FGAF O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCC[C@@H]2c1c[nH]cn1 13580150 ZTIJSDAZRCWHKE-LBPRGKRZSA-N 359.373 3.182 0 1 FGAF COCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14966832 YEDVUUAGCVKYCJ-CYBMUJFWSA-N 372.284 3.317 0 1 FGAF CCCCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCC(=O)O 169622162 RIBVJRIPUIBKFY-WUEBRPHUSA-N 352.471 3.251 0 1 FGAF CCCOCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167157502 GNGRVKRUPIELOR-UHFFFAOYSA-N 367.449 3.391 0 1 FGAF Cc1ccn2cc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)nc2c1 209349835 WPILBAXGXZASJB-HZPDHXFCSA-N 359.437 3.210 0 1 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356304697 AZOYDRNSZTYOAJ-CABCVRRESA-N 372.469 3.020 0 1 FGAF O=C(N[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)OCc1ccccc1 1642770 HEZYDORZZQHDTJ-KRWDZBQOSA-N 368.389 3.198 0 1 FGAF COC(=O)C1=CCC[C@@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 2356418019 VDWIZUGYFOMUJZ-KCLUMXDGSA-N 366.498 3.292 0 1 FGAF COc1c2ccoc2nc2c(OC)c(OC[C@@H](O)C(C)(C)OC)ccc12 2105874 UPLMFBXLYYAFTF-CQSZACIVSA-N 361.394 3.163 0 1 FGAF biogenic CC[C@@H]1CCCCN1CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21 3903622 ZYHMQZZSGIEHPU-CQSZACIVSA-N 370.449 3.042 0 1 FGAF C[C@]12C[C@H](C(=O)O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 2356413846 LDWIWYPUKHSEMK-BNAYDMIASA-N 350.499 3.452 0 1 FGAF CCC1(CC)C[C@@H](CNC(=O)c2ccc(Br)cc2)OC1=O 103282625 GPLQVDHSUVELNI-ZDUSSCGKSA-N 354.244 3.301 0 1 FGAF COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Br)cc1 103218292 ZXHKDFVCNGRCND-VIFPVBQESA-N 367.132 3.203 0 1 FGAF O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)OC2(CCCCC2)OC1=O 102971387 DFUFRIVWCSIXBB-UHFFFAOYSA-N 372.204 3.309 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28525898 LBHLXRSCRQWUHK-JYLXEMOASA-N 366.461 3.332 0 1 FGAF O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1 35942193 UKNFAYKMVKYMSA-UHFFFAOYSA-N 353.466 3.336 0 1 FGAF CCNC(=O)N(c1ccc(OCC)cc1)c1ccnc(N[C@@H](C)COC)n1 38224760 AKIFYLACUVFDBZ-AWEZNQCLSA-N 373.457 3.190 0 1 FGAF CC(C)CC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 49116477 IQRZASHGLWSZOZ-UXHICEINSA-N 356.374 3.372 0 1 FGAF CCOC(=O)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 40878731 DQBXAEFTEVTNSJ-UHFFFAOYSA-N 365.389 3.040 0 1 FGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C(C)(C)C)no2)n1 221131364 BXHQDKFMZLUOQJ-NWDGAFQWSA-N 374.445 3.311 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)N3CCCCC3)C(C)C)co2)cc1 82070136 AHWXPAZGHCOOBP-SFHVURJKSA-N 369.465 3.417 0 1 FGAF CCC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)CC2=O 95558165 NLJJOTGYCMIKLM-MRXNPFEDSA-N 372.373 3.431 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 253918458 SLKDSLAWMQSCJY-URLPEUOOSA-N 369.527 3.134 0 1 FGAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21 473096844 AUELYFXCNFIYTQ-GFCCVEGCSA-N 370.359 3.357 0 1 FGAF Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCCCC3)c2nc1O 473087238 DQJOFVKRLCBKNO-ROUUACIJSA-N 370.497 3.383 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccc(C(F)(F)F)cc1 587368030 GVFAPIMZCZHRAR-UHFFFAOYSA-N 363.295 3.189 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1CC(=O)OCC)CC2=O 587468981 CDUXWNZGLGYCEY-GOSISDBHSA-N 357.406 3.416 0 1 FGAF CCOC(=O)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403864 SHVCQSUCOOMBDB-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF CS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138068 DYGSEVWVZJGWQN-UHFFFAOYSA-N 354.353 3.169 0 1 FGAF N=c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c[nH]1 586984891 PYCRDTFCTGHFJP-INIZCTEOSA-N 372.270 3.318 0 1 FGAF CN(C)CCOc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016095 GGGRSXIUXMJDRH-INIZCTEOSA-N 358.467 3.478 0 1 FGAF CN(C)CCOc1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587057292 PBKDNNWJZHUDOM-INIZCTEOSA-N 358.873 3.399 0 1 FGAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587744045 GDCMPLJPVYJTSE-BJOHPYRUSA-N 350.235 3.497 0 1 FGAF Cc1nccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587768498 DBFLQBSKEGZKSE-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4nc[nH]n4)o1)[C@@H](C2)C3=O 587452177 MKYJBGWULHBZEU-MGPLVRAMSA-N 355.375 3.046 0 1 FGAF COC(=O)C[C@]1(O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206120 GYNWNKBHZMXSDL-QHCPKHFHSA-N 373.408 3.229 0 1 FGAF C[C@]1([C@H]2CCCNC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352287 WJVKDIFZLHZQBC-YRISNDGFSA-N 369.392 3.175 0 1 FGAF COC1=C(OC)[C@@H]2C=[N+]3CCc4cc(OC)c(OC)cc4C3=C[C@@H]2C=C1 100037191 XXPJAVJXRGUFCB-XJKSGUPXSA-N 354.426 3.004 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)NCC2 962935002 XENITGJNEWORAX-SFHVURJKSA-N 370.415 3.297 0 1 FGAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccc1)C(C)(C)C 13588279 SEWKIBJOBYMVII-SJLPKXTDSA-N 362.470 3.054 0 1 FGAF COc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1Br 1485841 ROQOJPXNKLSKOS-FQEVSTJZSA-N 372.269 3.098 0 1 FGAF Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 113336907 MXIVMTFMGCHKJZ-CRAIPNDOSA-N 353.470 3.033 0 1 FGAF O=C(O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1 103233781 PWIQBQDVHUEOJB-UHFFFAOYSA-N 355.575 3.448 0 1 FGAF NNc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)c2c(N)n[nH]c2n1 103274928 FNKDRZQYRKHEGG-UHFFFAOYSA-N 356.393 3.036 0 1 FGAF CC(=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 2356411113 IBBYPUFMXQIMFO-BTYIYWSLSA-N 368.385 3.212 0 1 FGAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@@]21CCC(=O)NC1CC1 2356870617 XTEFTOQHXOSCQH-JWWGGVBKSA-N 350.547 3.379 0 1 FGAF CN1CCC[C@@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 36289037 YFCMYTFFOHSHAT-AWEZNQCLSA-N 350.422 3.044 0 1 FGAF Brc1ncnc2c1ncn2C[C@@H]1COc2ccccc2S1 72178142 RSDHAMHPUAHNSB-SECBINFHSA-N 363.240 3.142 0 1 FGAF C[C@H]1CN(C(=S)N2CCN(c3ccccc3)CC2)N=C1c1ccccc1 40861393 LJMOAEOVILJZOK-KRWDZBQOSA-N 364.518 3.450 0 1 FGAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@H]3CNCCC3(F)F)nc12 1911576375 QFKVQAHXWNDICZ-KRWDZBQOSA-N 372.419 3.189 0 1 FGAF COCCN(C)C(=O)CO[C@H](c1cccs1)c1cccnc1Cl 45302551 FPJPYJUCSGHFAF-HNNXBMFYSA-N 354.859 3.007 0 1 FGAF COc1cccc(OC)c1-c1cnnc(NCc2nc3ccccc3o2)n1 95585672 PENFVRSEDLNRMT-UHFFFAOYSA-N 363.377 3.309 0 1 FGAF CN1C(=O)CC(C)(C)[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565368 VVWMBHKNRDAODD-CYBMUJFWSA-N 362.779 3.232 0 1 FGAF COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@@H]32)cc1 98085189 JMVCLSNEUUCWCL-WOJBJXKFSA-N 357.417 3.456 0 1 FGAF N[C@@H](c1cccc(Cl)c1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 95586237 NMVQKQZIFRBWNR-INIZCTEOSA-N 351.797 3.015 0 1 FGAF C[C@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@H](C)C(=O)C4(C)C)C(=O)O1 85798436 VLWLCFZSWPLWOA-IUCAKERBSA-N 368.385 3.032 0 1 FGAF biogenic COc1c(O)c(C)c(O)c2c(=O)c3c(oc12)[C@H](OC)Oc1ccccc1-3 96917841 JWYNDRGBQXDNPV-LJQANCHMSA-N 356.330 3.226 0 1 FGAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cccnc3n2)N1 587774702 OBGIJNPAPMQBLC-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(F)c(F)c(O)c(F)c1F)[C@@H](C2)C3=O 587421730 ALDALXKNKINBKN-BWKAKNAASA-N 354.255 3.446 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 586966385 CWUQMLCPVNABMM-UHFFFAOYSA-N 369.381 3.273 0 1 FGAF N=c1[nH]c2nc(-c3nc(Br)sc3C3CC3)nc-2c(Cl)[nH]1 587012861 LYRODWFVRXUFHM-UHFFFAOYSA-N 371.651 3.134 0 1 FGAF Oc1nc2cc3[nH]c(-c4cccn5c(Br)cnc45)nc3cc2[nH]1 587007372 JKNWRVAVJBNJEA-UHFFFAOYSA-N 369.182 3.222 0 1 FGAF COc1c(Cl)ncc(Cl)c1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892933 FLAJQRPRYGUVAT-WCQYABFASA-N 371.195 3.224 0 1 FGAF Cc1cccc(C[C@]2(C(F)(F)F)NCCc3c(C(=O)O)cccc32)n1 963125841 VAOLUPFWPIFTFX-KRWDZBQOSA-N 350.340 3.234 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)c3ccoc3)ncc12 1772609246 ZJVWDWXRPRBXHW-QGZVFWFLSA-N 363.377 3.471 0 1 FGAF COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1C 13451995 ASWLZURXLWNOQA-VWLOTQADSA-N 367.377 3.184 0 1 FGAF O=c1c(-c2ccccc2)cccn1[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 13488441 NZNYFHPTQFALGO-IRLDBZIGSA-N 360.457 3.171 0 1 FGAF CCOC(=O)c1ccc(N2C(=O)/C(=C\OC)c3ccccc3C2=O)cc1 1618941 VYGSERHEQLZFSX-ATVHPVEESA-N 351.358 3.038 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cncs3)n12 205790712 PGAPVGYYNRVTTR-UHFFFAOYSA-N 373.441 3.410 0 1 FGAF CN1CCN(c2nc(-c3ccc(Cl)c(Cl)c3)nc3[nH]cnc23)CC1 1857560771 WQSCGXGBGUKIOC-UHFFFAOYSA-N 363.252 3.079 0 1 FGAF O=c1cc(OCCCN2CCN(c3ccccc3)CC2)c2ccccc2o1 1857569706 NTIRRCDOXLPXJM-UHFFFAOYSA-N 364.445 3.384 0 1 FGAF Cc1c(C(=O)N2CC[C@H](C)C[C@H]2C)cnn1-c1nc(O)c2sccc2n1 1857579745 LKZLOYKECHFHIY-WDEREUQCSA-N 371.466 3.152 0 1 FGAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O[C@H](C)CO)cc12 1857591925 HSCYSFVCRNINBQ-FMDDFRTKSA-N 368.477 3.068 0 1 FGAF COc1cc(OC)nc(Sc2ccc(C(=O)O)c(C(F)(F)F)c2)n1 1857599245 MJDDCQTUFAPUFO-UHFFFAOYSA-N 360.313 3.362 0 1 FGAF CCN(CC)C1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)N1 1857649480 LVJOSXIHDWKFCU-UHFFFAOYSA-N 361.453 3.376 0 1 FGAF COc1cc(C(=O)c2nnc(-c3ccc(C)cc3)o2)cc(OC)c1OC 1857654671 AGHMKNKOSHQKHZ-UHFFFAOYSA-N 354.362 3.302 0 1 FGAF Cc1ccc([C@@]2(O)N(C)C(=O)c3ccccc3[C@]2(O)c2ccc(C)cc2)cc1 1648550 UQRXVACWPANGTN-RPWUZVMVSA-N 373.452 3.470 0 1 FGAF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049486 OHBLQSBEZLPOMK-FPOVZHCZSA-N 360.413 3.040 0 1 FGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2Cl)[C@@H]1C 4978019 GZWISLYFTFITLQ-GUTXKFCHSA-N 353.846 3.203 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@@H]1C=CC[C@H]2c3ccccc3COC[C@@H]21 6020219 HLVBAEFCAASWFV-KSZLIROESA-N 358.434 3.235 0 1 FGAF O=C(O)CCn1ccc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 29406826 OUJUPARGFPQGIR-UHFFFAOYSA-N 362.382 3.056 0 1 FGAF Cc1cn([C@@H]2O[C@@H](COCc3ccccc3)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=S 29397250 VGHNMFKDHUBHJR-KNCOVGOOSA-N 368.405 3.005 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(Cl)ccc4C)C[C@H]3C2)n1 116824014 QNQQLAMJADYLTH-IYBDPMFKSA-N 370.884 3.264 0 1 FGAF CCCN(CCCNC(=O)N(CC)CC)[C@H]1CCc2c(O)cccc2C1 28001080 INWFLAIMSLJNHI-SFHVURJKSA-N 361.530 3.403 0 1 FGAF CCO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@H]1O 2356674120 WFWVEYQUMRMWGD-IPTDYSPRSA-N 364.397 3.014 0 1 FGAF CC[C@@H]1CN(C)C[C@@H]2[C@@H](C(=O)OC)c3c([nH]c4ccccc34)C(=O)C[C@H]12 2356681995 CGNGBKBFEZALRJ-NFWAQSGPSA-N 354.450 3.215 0 1 FGAF CC=CC=CC(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C)C(=O)O)[C@H](C)c1ccccc1 2356793431 KNPRAIKHBOCDJD-NNFUDEMPSA-N 373.449 3.060 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](OCCO)(c1ccccc1)C(=O)N2 219549065 JSUDZZZSRPRECU-OAQYLSRUSA-N 364.401 3.163 0 1 FGAF Cc1cc(C)nc(O[C@H]2C(=O)OCC2(c2ccccc2)c2ccccc2)n1 72172305 VWSKJVORWIXNLP-IBGZPJMESA-N 360.413 3.384 0 1 FGAF CC1(C)O[C@H]1Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819301 MNDUMUBSRKMPEO-AEFFLSMTSA-N 356.374 3.230 0 1 FGAF biogenic COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C[C@H]2C)cc1 72104534 UVTHUTZIRLUASK-DNVCBOLYSA-N 352.434 3.319 0 1 FGAF CCO[C@H](Cc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1)C(=O)O 40412819 RMJMVMTVRSFGAV-UYAOXDASSA-N 353.418 3.455 0 1 FGAF COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCCC3)c2c1 84739275 CUMCRJCSQCBRSV-SFHVURJKSA-N 366.469 3.170 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2O[C@@H]2C(=O)[C@@H]1C/C=C\CCCC(=O)O 89455043 QGGPQDSQYUCJOO-IGGVQYLWSA-N 350.455 3.268 0 1 FGAF N=C(N)Nc1ccc(CCc2csc(NC(=O)c3ccccc3)n2)cc1 95583969 AYPWITZTWAKEPF-UHFFFAOYSA-N 365.462 3.486 0 1 FGAF O=C1C(=O)N(c2cc(F)ccc2F)CCN1Cc1ccc(F)cc1Cl 95565177 VXASVVNWZJIVBB-UHFFFAOYSA-N 368.742 3.133 0 1 FGAF COc1ccc(CC2=C(Cc3ccc4c(c3)OCO4)COC2=O)cc1OC 38987512 ZNFNVULJMPXOPE-UHFFFAOYSA-N 368.385 3.071 0 1 FGAF biogenic CCOc1cccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 473153711 CNZIDPVXUFSJEM-INIZCTEOSA-N 355.390 3.096 0 1 FGAF Sc1nc(S)c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587077578 WZVFMFSYXAXFEJ-SECBINFHSA-N 363.855 3.201 0 1 FGAF Cc1c(I)cnn1[C@H](C)c1nc2ccccc2[nH]1 587181960 JHHBIADPHNDWAX-SECBINFHSA-N 352.179 3.282 0 1 FGAF CCOC(=O)c1c(C)[nH]c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587437192 FPYLBXBYPDOLKY-YJYMSZOUSA-N 355.390 3.306 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1cccnc1 587873293 XPTCSMNKJCDUEI-UHFFFAOYSA-N 356.426 3.406 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586938412 VKMKAFUIANXOMB-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1OC 587809809 JLTGLOVCIBHIEC-NLCHRSBVSA-N 358.251 3.142 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN1CCC[C@@H]12 587591912 XJHKZFVLDYIJSQ-LVCYWYKZSA-N 351.402 3.351 0 1 FGAF CCCCCCC(=O)NCc1ccccc1OC[C@@H](O)CNC(C)C 169336737 JWGQBWLZVBOIJR-SFHVURJKSA-N 350.503 3.011 0 1 FGAF CCN1C(=O)[C@]2(NC(=O)c3c(sc4c3CCCC4)N2)c2ccccc21 1772656169 HDKSQFRQCHXACO-IBGZPJMESA-N 353.447 3.002 0 1 FGAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 12479542 PMOQORYMZKPKKE-FUHWJXTLSA-N 354.450 3.456 0 3 FGAF COc1cc2occ(-c3cc(OC)c(OC)cc3OC)c(=O)c2cc1O 14645925 LVONUTYSUPRVRZ-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro CCCC(=O)N1CCC[C@H](N2CCC(c3ncccc3OC)CC2)CC1 1857562690 ABPDXVBJHAUXMG-SFHVURJKSA-N 359.514 3.451 0 1 FGAF COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C)NC2(C)C)c2ncccc2c1 29128502 KJTHKMJERXZIQY-CABCVRRESA-N 370.497 3.380 0 1 FGAF C[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 116185175 JDDCNKBRXLFYBX-LBPRGKRZSA-N 360.377 3.132 0 1 FGAF CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 66252414 WNYCNDJJJGUDIK-VSIZIWLYSA-N 366.527 3.237 0 1 FGAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1N[C@@H](C)CCCN 27183600 YHSZCMSYNLAQGR-GJZGRUSLSA-N 359.518 3.322 0 1 FGAF CNCCn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71331341 KGIWTSNDMWSYJW-UHFFFAOYSA-N 356.433 3.126 0 1 FGAF COC(=O)c1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1 45298804 KLOZOHUOAZCVCO-UHFFFAOYSA-N 367.357 3.258 0 1 FGAF CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224783073 NYYZYAXOIDQHKX-UHFFFAOYSA-N 357.410 3.045 0 1 FGAF COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085575 GREUIYUVSWWIGK-KRWDZBQOSA-N 350.374 3.272 0 1 FGAF O=C(N1C[C@@H]2CN(c3ncccc3F)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283277 GVOJLIRYQUJFTH-GLPCNKFJSA-N 369.484 3.332 0 1 FGAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587438425 ODONEDGDMYSIBY-SZNDQCEHSA-N 369.417 3.480 0 1 FGAF Ic1cnc2ccc(-c3nc4ccccc4[nH]3)cn12 587188494 UKJAROXLQHHNDZ-UHFFFAOYSA-N 360.158 3.482 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)(C(O)O)CC2=O 587459488 DOUIRAFYMYOJFW-LJQANCHMSA-N 362.809 3.170 0 1 FGAF COc1cccc(-c2cc(O)n(-c3n[nH]c(-c4ccccc4F)n3)c2O)c1 587944585 CTNQGGXHJYIJLD-UHFFFAOYSA-N 366.352 3.488 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]cncc1-2 587589455 OXPBCSFDWWBTMI-QFBILLFUSA-N 359.341 3.318 0 1 FGAF CCC[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C 587957035 YIEBNZXJUQDJOV-OAHLLOKOSA-N 365.499 3.124 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc4[nH]c(=N)oc14)[C@@H](C2)C3=O 587434645 XROFOIKYRVEYLL-FKIZINRSSA-N 350.374 3.220 0 1 FGAF CC(C)Cn1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962960462 GMLCQYCTNNYNLN-CJNGLKHVSA-N 369.799 3.159 0 1 FGAF CCc1c(C)[nH]c2cc([C@@H]3CCN(Cc4cccc(F)c4)C3)nn2c1=O 19521705 PEIQJDKEGBXCFI-OAHLLOKOSA-N 354.429 3.022 0 1 FGAF c1ccc(-c2ccc(Cn3cnc4c(N5CCOCC5)ncnc43)cc2)cc1 1772638384 QXGSMFRNJHDTFJ-UHFFFAOYSA-N 371.444 3.378 0 1 FGAF Cc1nn(Cc2ccc(-c3nc4ncccc4[nH]3)cc2)c(C)c1CC(=O)O 1772621705 OLMANFYKJFRIKG-UHFFFAOYSA-N 361.405 3.114 0 1 FGAF CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC(C)C)cc2)n(C)c1C 13146816 VOHMCOZJWMGMAQ-VHEBQXMUSA-N 362.451 3.100 0 1 FGAF COc1cc(-c2c3c(cc4cc(OC)c(O)cc24)C(=O)NC3)ccc1O 14883364 QVAJYPUWQBUWLN-UHFFFAOYSA-N 351.358 3.179 0 1 FGAF biogenic,in-vitro CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C(C)(C)O)/C=C/C=C3CO 169295528 BPZFTYYQDTYXJB-CMNSHCBBSA-N 368.473 3.476 0 1 FGAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccccc2)cc1 169729701 SSYBMYBOJXWIGY-QZTJIDSGSA-N 352.390 3.280 0 1 FGAF Cc1nc(-c2cccnc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 205335828 AJPFDJKGACBMEW-UHFFFAOYSA-N 356.433 3.338 0 1 FGAF Cc1ccccc1CNc1nc(NC(=O)c2ccccc2)[nH]c2ncnc1-2 1857589464 UFPDRHZKSPVBEW-UHFFFAOYSA-N 358.405 3.477 0 1 FGAF Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 1658766 HYVILQSBFXXAJG-IBURTVSXSA-N 372.468 3.395 0 1 FGAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(C)c1)[C@H](O)C2=O 2356377796 LXGLWXNESDYZPZ-WOJBJXKFSA-N 370.401 3.298 0 1 FGAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccc2nonc2c1 6917807 HUFCTQOLMSCISN-UHFFFAOYSA-N 371.400 3.295 0 1 FGAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 28017260 OHUGUDLAWZZRCF-GFCCVEGCSA-N 357.376 3.223 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 2356506132 CIMMACURCPXICP-MHORFTMASA-N 354.487 3.475 0 1 FGAF Nc1nc(-c2ccc(OCc3ccccc3)cc2)c(Br)c(=O)[nH]1 29553550 FWFVHHRBQWALBG-UHFFFAOYSA-N 372.222 3.361 0 1 FGAF COC(=O)[C@@H]1[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]2CC[C@H]3C[C@@]12CC3=O 2356566909 YUKCRNRLXCLKOH-FWOSPXTISA-N 362.466 3.150 0 1 FGAF C[C@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559094 ZLWHBJIIEMDIFM-IACUBPJLSA-N 361.463 3.086 0 1 FGAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29230944 DYVYBMXIBPLUKH-ROWOMKEUSA-N 355.478 3.294 0 1 FGAF CC1(C)[C@@H](O)CC[C@]2(C)OC(=O)C(=CCc3cc(O)ccc3O)CC[C@H]12 2356842077 MKQIFVOOVMGNKO-LQWHRVPQSA-N 360.450 3.460 0 1 FGAF O=C1[C@H]2CN(CC3CCCCC3)CCN2C(=O)N1[C@H]1C[C@@H]1c1ccccc1 72177621 OSCWCEOAPXDBLA-HSALFYBXSA-N 367.493 3.071 0 1 FGAF CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2cccc(C(N)=O)c2)cc1 72102384 VNTCWLSRCGVGKB-QFIPXVFZSA-N 362.429 3.252 0 1 FGAF COc1ccc2c(c1OC)CN(C(=O)N(C)C)C[C@H]2c1cccc(O)c1 40563947 XVSKSQGEJQXOHR-INIZCTEOSA-N 356.422 3.039 0 1 FGAF COc1ccc2c(c1)Sc1ccccc1[C@H](N1CCN(CCO)CC1)C2 45192960 UIWBFHPUMNVMAI-LJQANCHMSA-N 370.518 3.054 0 1 FGAF Cc1[nH]c(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1 40873703 YXUDTFWOGQONTM-UHFFFAOYSA-N 362.455 3.142 0 1 FGAF CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 195455561 FXSBFPIWUAJKCX-LMSBXDPUSA-N 353.418 3.345 0 1 FGAF C[C@@H]1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1 145432422 WSBXTXMVHFPAPA-LLVKDONJSA-N 361.409 3.246 0 1 FGAF Cc1cccc(S(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)c1 198921342 DQTUEIKYYPWKJJ-UHFFFAOYSA-N 373.459 3.240 0 1 FGAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ccncn2)cc1 95554070 OCIGLNKJPQBAKJ-KRWDZBQOSA-N 373.478 3.183 0 1 FGAF NC(=O)O[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 95574288 SZLNZRVYYIAGMX-IBGZPJMESA-N 357.429 3.174 0 1 FGAF C[C@H](CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 299816051 PGWOBVRIBXLYFJ-WBOJAVRRSA-N 357.592 3.472 0 1 FGAF COC1CCN(c2nccc(Nc3cc4c(C(C)C)n[nH]c4cn3)n2)CC1 299827396 GKMHWPHQBQHBKR-UHFFFAOYSA-N 367.457 3.230 0 1 FGAF Cc1oncc1C(=O)N1C[C@@H]2[C@@H](CCC[C@H]2N(C)Cc2cccs2)C1 299842755 XFPCJLZNVOLBGH-BMGDILEWSA-N 359.495 3.417 0 1 FGAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 587050393 NADGNUZFWSCADW-UHFFFAOYSA-N 351.844 3.209 0 1 FGAF CCCCOc1cc2nc(COCC(=O)O)[nH]c2cc1Br 587563188 OTFHWCVTZJKZED-UHFFFAOYSA-N 357.204 3.106 0 1 FGAF COc1cc(N)c(I)cc1-c1nc2ccccc2[nH]1 587178730 KBESXPWMDJILOJ-UHFFFAOYSA-N 365.174 3.425 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(O)n3)nc2c1 587016606 CRWPUXXILREMNA-UHFFFAOYSA-N 368.212 3.331 0 1 FGAF NC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587018262 ZLWIVNAIFPGSFO-UHFFFAOYSA-N 362.414 3.387 0 1 FGAF CC(C)n1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587276357 MXUVWJSOGUFMDB-UHFFFAOYSA-N 364.199 3.091 0 1 FGAF Nc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1N 587221270 UXXDDUOWTYBPIP-IBGZPJMESA-N 357.417 3.247 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1C 587834407 RHFQJHCBIDBKNL-AWEWYNMMSA-N 356.235 3.289 0 1 FGAF FC(F)c1c(-c2nc3ccc(Br)cc3[nH]2)cnc2ncnn12 587128417 NABDWFMKULOEHK-UHFFFAOYSA-N 365.141 3.368 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3cncc32)N1 587770294 ILGQWXNHIGNNJB-HWPZZCPQSA-N 350.235 3.356 0 1 FGAF C[C@]1(c2cncc(F)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978049 QOWYKKFZQILJBM-MLGOLLRUSA-N 356.731 3.015 0 1 FGAF O=S(=O)(Cc1ccccc1Cl)n1c(O)nc2ccc(Cl)cc21 1772598636 RJLGXERJPZJYMM-UHFFFAOYSA-N 357.218 3.427 0 1 FGAF CN1Cc2c(C3=C[C@H](CO)NCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772633682 QGOGBUBLVRJFMI-CQSZACIVSA-N 364.424 3.056 0 1 FGAF CC[C@H](Sc1nncn1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 5718986 WMKIHWUSJSACGJ-NSHDSACASA-N 360.361 3.223 0 1 FGAF COc1ccc(N[C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)cc1 11820148 OTMCDKSVGCUCAA-CQSZACIVSA-N 356.451 3.121 0 1 FGAF COc1c(OC/C=C(\C)CC[C@H](O)C(C)(C)O)ccc2ccc(=O)oc12 13481650 AGIAPQOXXWKVOJ-BYIUCRAPSA-N 362.422 3.039 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 205442253 PAYQJEUBORBBLK-GFCCVEGCSA-N 361.409 3.241 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356344539 BMAOWSPJJLOKGM-FAJBIJEISA-N 360.491 3.235 0 1 FGAF CNC[C@H](O)c1ccc(O)c2c1C[C@H](Cc1cccnc1)CC(C)(C)C2 2356355355 FDUJUSPEIBLQCP-KKSFZXQISA-N 354.494 3.414 0 1 FGAF CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)cc2C[C@H]1C 6730194 LGIGEQRVHXOBOR-JJRVBVJISA-N 364.511 3.231 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)c1cn([C@@H]2CCNC2)c2ncccc12 28862181 MIFLVYXEQSRHTB-CYBMUJFWSA-N 361.854 3.057 0 1 FGAF CCCCC[C@@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 116301575 UXVRTOKOJOMENI-MTXATPHBSA-N 352.471 3.129 0 1 FGAF CC(=O)Oc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1 2356618034 BGRJFGWDFMYSGC-QUCCMNQESA-N 357.450 3.433 0 1 FGAF C[C@@H]1CCN(C(=O)CC2CCCC2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 66258660 YXBCFGXEZKKAJD-PBHICJAKSA-N 355.486 3.211 0 1 FGAF O=C(c1ccccc1F)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 74377420 AWMLGLFYTQMFOP-IAQYHMDHSA-N 362.763 3.493 0 3 FGAF COc1ccccc1C(=O)Nc1ccc2c(c1)CN(Cc1cc[nH]n1)CC2 46118583 JJNBWSCSTBTFDJ-UHFFFAOYSA-N 362.433 3.229 0 1 FGAF COc1cc(NC(=O)[C@H]2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1 40935313 QJAQLNKXPMIWDB-CYBMUJFWSA-N 367.380 3.414 0 1 FGAF O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(O)nc1 40861130 BENALAPKSPBUEK-UHFFFAOYSA-N 356.813 3.221 0 1 FGAF CCc1ccccc1-c1cccc2cc(C(=O)NC[C@H](N)C(=O)O)ccc12 43072160 ALTUZSMMOFRUSL-FQEVSTJZSA-N 362.429 3.211 0 1 FGAF COc1ccc(Sc2ccccc2N2CCN(CC(=O)O)C[C@H]2C)cc1 40527614 PGAKBYJCYULAFF-OAHLLOKOSA-N 372.490 3.442 0 1 FGAF Cn1c(=O)cc(N[C@H]2CC[C@H](O)CC2)c2cc(-c3cncs3)ccc21 299851817 KEKZQVPNLJQCJI-HDJSIYSDSA-N 355.463 3.377 0 1 FGAF 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CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1 35308956 SJJCRPJMKKRQSW-XLIONFOSSA-N 356.491 3.472 0 1 FGAF C=C(C)C(=O)[C@@H](OC(=O)C(C)C)c1c(OC)c(OC)cc2ccc(=O)oc12 14589490 LUCNKHZKYQWUHH-IBGZPJMESA-N 374.389 3.196 0 1 FGAF biogenic CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCNC(C)=O 82186586 WHDDEJYHNCWNDJ-UHFFFAOYSA-N 370.457 3.133 0 1 FGAF F[C@@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174973 ZXQIHLJIAWEHOF-ZBFHGGJFSA-N 363.396 3.023 0 1 FGAF O=C(O)[C@H](O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1 299862511 NEFBRBXFNRYSMK-NHCUHLMSSA-N 351.446 3.418 0 1 FGAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1F 653693411 CUVBWRNSNFAJMO-UHFFFAOYSA-N 365.320 3.175 0 1 FGAF C[C@H]1CCc2cc(-c3ccnn3C)ccc2N1C(=O)c1ccc(O)cc1O 653682164 YTDJEAZYTGIAJJ-ZDUSSCGKSA-N 363.417 3.480 0 1 FGAF CCc1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(S)n1 587451703 LSJCFEVZVVVLNO-BLVKFPJESA-N 356.447 3.308 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c3nsnc13)O2 587414071 KDSNKIJABKCCPS-OAHLLOKOSA-N 354.435 3.354 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)ccnc2[nH]1 587194048 KKACHFIINZNBKB-NSHDSACASA-N 353.854 3.129 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587204223 WLUUPBBRTKTVEU-LBPRGKRZSA-N 374.784 3.054 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc(Cl)[nH]c-4n3)cc2N1 587127166 UAXLBQYKRWUXFV-XRGYYRRGSA-N 357.727 3.129 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587438323 NOECKOXWAKVLLY-DJJJIMSYSA-N 351.358 3.379 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCC(=O)O)cc1)[C@@H](C2)C3=O 587440280 FWLFOBQILRQRRJ-HRAATJIYSA-N 368.385 3.212 0 1 FGAF CCOC(=O)C[C@@]1(CN2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513090 HKYQIOQGLPUPHV-JOCHJYFZSA-N 371.477 3.318 0 1 FGAF CCOC(=O)C[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516772 ZMIGYVUZNDMQOK-OAQYLSRUSA-N 366.417 3.169 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN[C@H](C(=O)O)[C@H]31 587108255 YMFHBXUJIMTZGC-LIHBSQQNSA-N 370.408 3.149 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnn(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 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100931689 MLAVZBYGVBERLG-ORXGQKIWSA-N 371.477 3.497 0 1 FGAF O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)n1ccnc1 26483389 HGXSDFNFOVZXAN-AFMYVXGZSA-N 351.450 3.316 0 1 FGAF COc1ccc(N2C(=N)C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 69061649 HBWYADIYUFCYEV-UHFFFAOYSA-N 371.418 3.464 0 1 FGAF COC(=O)[C@H](C)Oc1ccc(Oc2nnc3cc(Cl)ccc3n2)cc1 29309954 MWPNUFOCQQUIBA-JTQLQIEISA-N 359.769 3.411 0 1 FGAF N[C@H](CC1CCCCC1)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27993302 VACACWHUDPGHHK-SJORKVTESA-N 373.324 3.311 0 1 FGAF O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CC1(CCC1)CNC3=O 73161123 FKCBINRGZNFDNE-UHFFFAOYSA-N 360.417 3.202 0 1 FGAF C[C@@H](COC(=O)[C@@H](C)c1ccc(C(=O)c2cccs2)cc1)O[N+](=O)[O-] 40974368 SNGYIJXVPYURDI-RYUDHWBXSA-N 363.391 3.223 0 1 FGAF COc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(Br)cc43)c2c1 138436094 FATHFHKLZCFYCQ-QGZVFWFLSA-N 373.206 3.127 0 1 FGAF Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 43178438 GUPGQXUZHHSWJB-UHFFFAOYSA-N 369.388 3.052 0 1 FGAF CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1 49055390 NNOHEYLTIADEJF-OAHLLOKOSA-N 358.438 3.490 0 1 FGAF Cc1cc2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1 43060328 KOZFQIFSQCRBQI-UHFFFAOYSA-N 355.873 3.322 0 1 FGAF O=P(O)(O)COc1ccc(-c2ccccn2)c2c1-c1ncsc1C2 45392572 OARGGSAUIUELQS-UHFFFAOYSA-N 360.331 3.290 0 1 FGAF NC1=N[C@]2(CO1)c1cc(-c3cc(Cl)cnc3F)ccc1OCC21CC1 149322033 YLFDDYWNYJPIAU-GOSISDBHSA-N 359.788 3.254 0 1 FGAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccncc4)c32)cc1 96940442 SGWXMJSATDOAEF-UHFFFAOYSA-N 365.414 3.344 0 1 FGAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587950945 FJDIDZXHVKEZFF-BZPMIXESSA-N 351.472 3.257 0 1 FGAF CCCc1c(O)ccc2c1OC1(CCC(N3CCOCC3)CC1)CC2=O 587474731 JEHUJFMKBXDNKY-UHFFFAOYSA-N 359.466 3.324 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)nc4[nH]3)CC2)cc1 586955010 RJQKCFRQNRYVET-UHFFFAOYSA-N 370.478 3.143 0 1 FGAF O=C(O)c1ccccc1-c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587561997 ZQVJRDWEQMGBRC-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF CC(C)(C)OC(=O)Nc1nc([C@@H]2NCCc3nc4ccccn4c32)cs1 962991914 FZLRNWDIGGIFER-AWEZNQCLSA-N 371.466 3.373 0 1 FGAF c1ccc2nc([C@@H]3C[C@@H]3c3cn4nccc(N5CCOCC5)c4n3)ccc2c1 1772624862 ZGOVKVOORNBZEO-SJORKVTESA-N 371.444 3.385 0 1 FGAF Cc1nc(CC(C)C)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12 169711725 NTYHOWJEOSQNDJ-UHFFFAOYSA-N 352.442 3.059 0 1 FGAF CNc1nc(Nc2cnn([C@H]3CCOC[C@H]3F)c2C)ncc1C(F)(F)F 205722173 ZGXBNRLQXMACOV-PWSUYJOCSA-N 374.342 3.085 0 1 FGAF [C-]#[N+]c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCC)cc1 1857579978 PGVUQNSQIZSADN-GOSISDBHSA-N 353.397 3.244 0 1 FGAF COc1ccc(-c2nn3ncccc3c2-c2ccnc(NC3CC3)n2)cc1 1857615283 ZWRLBISDKUFQAQ-UHFFFAOYSA-N 358.405 3.436 0 1 FGAF COc1cc(C)c2c3c1CO[C@@H]1OC(=O)c4c(O)c(C)c(c(c41)O3)OC2=O 2356335356 YDLWEZKWYNYYTH-LJQANCHMSA-N 370.313 3.042 0 1 FGAF COc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3nnnc3N2)cc1 2918174 QUJIBASAZIUATP-HZPDHXFCSA-N 373.363 3.429 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2O/C(=C\CCCC(=O)O)C[C@H]12 3830759 KAQKFAOMNZTLHT-FLVUDWQLSA-N 352.471 3.409 0 1 FGAF Cc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(CC2CCCC2)n1 101550379 WYGCEDXALOACTP-MWSQIJLFSA-N 369.509 3.187 0 1 FGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 101678520 GKAZBENQAFJSMI-OHHBCXFOSA-N 358.397 3.250 0 1 FGAF NCCCCc1ccc(CCCCNC(=O)[C@H](CN)c2ccccc2)s1 28652659 HKOLSPLEHGDCSR-HXUWFJFHSA-N 373.566 3.211 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)ccc31)[C@H]1CC[C@H](C2)N1 100632930 VNXPNBKXJFLXQN-MLGOLLRUSA-N 370.449 3.499 0 1 FGAF C=CCc1cc2c(cc1O[C@@]13C[C@@H](CC=C)C(=O)C=C1OCO3)OCO2 13453967 TXLALJSADHIRMA-VLIAUNLRSA-N 356.374 3.272 0 1 FGAF biogenic COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142132 UNNTVLJCTZWUPI-DZGCQCFKSA-N 358.442 3.103 0 1 FGAF CC1=C2CC[C@@](C)(O)CCC[C@](C)(O)[C@@H]3CC[C@@](C)(C[C@@H]2OC1=O)O3 40943694 PXEMQPAVJBVDGS-LPBINRMYSA-N 352.471 3.022 0 1 FGAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCNC(C)=O 82186901 INCFNYVOXAHNKS-UHFFFAOYSA-N 360.506 3.468 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1)Nc1cccnc1 195225416 QTDRDNOQHMFTSZ-OSLDLMBLSA-N 374.400 3.037 0 1 FGAF CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95878088 PAWFNCKMXJFLIW-YYWHXJBOSA-N 354.425 3.213 0 1 FGAF COc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)COC(N)=N2)cc1 95573261 WCJQDRXUNINKDD-OAQYLSRUSA-N 363.392 3.485 0 1 FGAF in-vitro COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(Cl)cc4)n1)[C@@H](C2)C3=O 587421138 KHTHKNNZIYCUPK-LIRRHRJNSA-N 367.792 3.418 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434524 ABGQFNSSYSSZLE-DHUIEDIVSA-N 373.449 3.458 0 1 FGAF Cc1cnn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659956 AFXLWJUVVIUOST-UHFFFAOYSA-N 362.364 3.048 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1OC 587109073 RMTAPNLLOSOXEC-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN(C)C)cc1)[C@@H](C2)C3=O 587427195 CKUYQPDDZLRWSU-LAUBAEHRSA-N 353.418 3.124 0 1 FGAF CN(C)CCOc1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586909296 WXPXGMJDJRLLIJ-UHFFFAOYSA-N 351.406 3.142 0 1 FGAF C[C@]1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587157348 SSMTUNKQIUFQIH-FUHWJXTLSA-N 353.357 3.217 0 1 FGAF CC(=O)NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC(C)CC1 587234303 JCBULLXLQTVJRC-UHFFFAOYSA-N 355.417 3.429 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2CNC=O)N1 587742189 JWJWIASSNNICEA-BTJLNZGRSA-N 369.278 3.254 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3ncccc23)N1 587791013 DZCXMIJOVSUYFC-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2)N1 587828335 OTMYEGZDPIANTH-BMLIUANNSA-N 364.214 3.451 0 1 FGAF COC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085527 XZOZEUAHQNYNNA-UHFFFAOYSA-N 371.828 3.177 0 1 FGAF COCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587798342 UYTRMXWSBQRNEP-ANRSDYALSA-N 355.207 3.346 0 1 FGAF Cc1cccc(-n2ncc3c2CCc2cc4c(O)nc(O)nc4nc2-3)c1C 587558944 VJIUDGVIEXANDW-UHFFFAOYSA-N 359.389 3.004 0 1 FGAF Cc1nn(C)c(C)c1[C@]1(c2ccccc2)NCCc2c(C(=O)O)cccc21 963128963 CBXIDKYZBCUKNA-JOCHJYFZSA-N 361.445 3.173 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H]3CCCOc4ccccc43)ncc12 1772641041 QIXJAFUXGLJYAI-CYBMUJFWSA-N 353.382 3.002 0 1 FGAF CCn1cc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)cn1 12072330 WXNRFXSTJXWHEM-NRFANRHFSA-N 370.472 3.057 0 1 FGAF Cc1ccc(-c2n[nH]c(S(C)(=O)=O)n2)c(Oc2ccc(Cl)cc2)n1 1857750998 SXTHUWBEMCOAEQ-UHFFFAOYSA-N 364.814 3.024 0 1 FGAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2CO)c1C 602149 HEIXVINBPWTZHJ-UHFFFAOYSA-N 358.419 3.252 0 1 FGAF O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)[C@@H]1C(=O)c1cccs1 109430937 UROSSQCXPFRKPA-NEPJUHHUSA-N 374.468 3.422 0 1 FGAF C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102373842 RECFXVBFQRDZOD-BYNQJWBRSA-N 351.830 3.143 0 1 FGAF CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1 27891663 VOCVGPVNQLFNDS-UHFFFAOYSA-N 364.810 3.057 0 1 FGAF O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1 66113012 URIDIEFPWLZYEF-UHFFFAOYSA-N 365.355 3.086 0 1 FGAF in-vitro CC1(C)c2cc(OC[C@@H](O)CO)ccc2C(=O)c2c1oc1ccccc21 114803582 GVUGUXIUPIOVFC-LBPRGKRZSA-N 352.386 3.035 0 1 FGAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](OC)C[C@H]1[C@@H]2C(=O)OC 2356672322 FPYWPRHZJJOPJP-TTYHFUOFSA-N 368.477 3.467 0 1 FGAF Cc1c(Cl)c(O)c2c(c1Cl)O[C@@H]1C=C(O)C=C(C(=O)O)[C@H]1C2=O 2356789890 DVRLCCLBMCXAFM-HTQZYQBOSA-N 357.145 3.034 0 1 FGAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@H](C)O5)N[C@@H](N2)N34)O1 2356823084 GIQKPLVXNCLHHV-VQGLPFKNSA-N 361.530 3.216 0 1 FGAF COc1ccc2c(c1)C(=O)C[C@@H](CCN1CCN(c3ccccn3)CC1)C2 28460033 LJMYIOFXUXKQPP-KRWDZBQOSA-N 365.477 3.048 0 1 FGAF Cc1cc2c(cc1C)N1C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]1C(=O)N2 72139674 MENXDOQRBQWILT-LJQANCHMSA-N 371.396 3.376 0 3 FGAF COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82133505 DNXPJIHGPAOHDH-HOTGVXAUSA-N 368.481 3.320 0 1 FGAF COc1cc(Oc2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)ccc1O 95486287 KSIBFYLBLJSVTC-UHFFFAOYSA-N 374.345 3.331 0 1 FGAF biogenic,in-vitro Nc1nnc(CCCCc2csc(NC(=O)Cc3ccccc3)n2)s1 95573500 CJLHEJSAONHLQV-UHFFFAOYSA-N 373.507 3.323 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(C)c2)(C(F)F)N1 587719375 QKMYTXXRTMIWPP-VXJOIVPMSA-N 374.204 3.365 0 1 FGAF O=C(O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119966 LDVJOWGDHNBEJO-UHFFFAOYSA-N 364.327 3.404 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1nccs1)[C@@H](C2)C3=O 587451200 JCTKJSCYGSZYIJ-GTSWHGPUSA-N 356.447 3.260 0 1 FGAF Nc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1N 586997233 BDMIVHHKLBADIG-UPHRSURJSA-N 373.210 3.389 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccnc(Cl)n3)nc1C)O2 587380207 QQYFQSUODIQFTN-OAHLLOKOSA-N 369.812 3.221 0 1 FGAF COC(=O)Nc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)cn1 587244738 JSOBTBWUCQKEAZ-UHFFFAOYSA-N 362.187 3.269 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1 587124028 KPYSTPUYFDZLHU-CPFSXVBKSA-N 365.315 3.463 0 1 FGAF O=C(c1nccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656547 FYKFIZUGTGWJBJ-UHFFFAOYSA-N 369.352 3.487 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3nc(Br)cs3)c3cccc1c32 963032742 SNGXCNODLOREAX-XLKFXECMSA-N 364.268 3.048 0 1 FGAF CCOC(=O)C[C@H]1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1C(C)C 12478717 XVUZSKQTAUCRCI-LBPRGKRZSA-N 365.373 3.112 0 3 FGAF O=C(O)C(=O)CC(=O)c1cccc(OCc2cc(-c3ccccc3)on2)c1 13674072 YACHIXPLTZSGJF-UHFFFAOYSA-N 365.341 3.147 0 1 FGAF CNC(=O)c1cc2c(Oc3ccc(N4CCOCC4)cc3)cncc2s1 13864411 XBVXPTSRPVCWNB-UHFFFAOYSA-N 369.446 3.285 0 1 FGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccnc2)o1 169686033 YRDUOKJCWFOFMN-RTBURBONSA-N 374.396 3.135 0 1 FGAF CC1=NC(=O)N[C@H](c2ccccc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687130 ZWWJSOLJZFTWCL-QZTJIDSGSA-N 366.373 3.000 0 1 FGAF O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1 168074341 VPEKQLSXDDFELD-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@H]1C[N@]1Cc1ccnc2ccccc12 1857626755 CGPWNJUUKBGYCH-SHZVTRLKSA-N 362.355 3.250 0 1 FGAF CCCCC[C@H](O)[C@@H](O)C=C[C@@H](O)CC=CCC=CCCCC(=O)O 2356342670 YCFPVUKKIWMCJK-FHWLQOOXSA-N 354.487 3.353 0 1 FGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)OC 2356349895 PZMGZXATJGSIDQ-KXDSQQBTSA-N 370.530 3.377 0 1 FGAF COC(=O)N[C@@H](/C(C(=O)OC)=C(/C)NCc1ccccc1)c1cccs1 7992327 GYMVPSPYGOGQDI-HJUDDPQBSA-N 374.462 3.382 0 1 FGAF CC(C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204834 GTLVWWDDHQLZBL-IUODEOHRSA-N 368.865 3.335 0 1 FGAF COc1cccc2c1[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 100310799 INUCRGMCKDQKNA-KSEOMHKRSA-N 355.478 3.112 0 1 FGAF Cc1cc2nc([C@@H]3CCOC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247286 ANHBUKWTOYLNKK-CYBMUJFWSA-N 374.448 3.254 0 1 FGAF CC(C)N(C(=O)C12[C@H]3C4C5[C@H]3C1(C(=O)N(C(C)C)C(C)C)[C@H]5[C@@H]42)C(C)C 105495799 GJEVPNNDIBPZIY-GZHNERFQSA-N 358.526 3.015 0 1 FGAF CCCC[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29464578 NHAKCBNDIGPYRC-AVSUMWLXSA-N 355.478 3.350 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)OC 2356654102 NVANLIMPYROZFD-PXTPFGJHSA-N 370.530 3.355 0 1 FGAF COC(=O)[C@@H]1COCC[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 2356703026 JDJVJTFQJVKZQS-IAOVAPTHSA-N 350.418 3.139 0 1 FGAF Cc1cc(C)cc(Cc2cc(C)ccc2OCCn2ccc(=O)[nH]c2=O)c1 72127570 MBTRIESVTFCYJW-UHFFFAOYSA-N 364.445 3.132 0 1 FGAF CCc1ccccc1-c1cccc2sc(C(=O)NC[C@H](N)C(=O)O)cc12 43009644 ZUPGUTSURDGFHW-INIZCTEOSA-N 368.458 3.272 0 1 FGAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82203960 LRBWOJKYPLHTQM-CZUORRHYSA-N 359.518 3.113 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Nc1ccccn1 222470962 FBWNNWKXBOZFGD-UHFFFAOYSA-N 370.416 3.358 0 1 FGAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1 225946535 NTUQVIQEPHGASW-UHFFFAOYSA-N 374.231 3.372 0 1 FGAF COc1ccc(CCNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1 82203911 KOAWXKZITCQDMQ-IYBDPMFKSA-N 356.470 3.062 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 144826660 PAXDZHPBDVTZOB-QNLOPFOSSA-N 367.489 3.350 0 1 FGAF NC(=O)CCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144794791 GNPUCIARHIGCCR-GOSISDBHSA-N 365.351 3.500 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccc4)n3c2)c1 653758385 RAVNXZHHJSGQHO-UHFFFAOYSA-N 364.430 3.435 0 1 FGAF Fc1cc2c(c(Cc3nc4ccnc(Br)c4[nH]3)c1)OCOC2 587171064 ICECJWJBFYTBHV-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF CCOC(=O)[C@H](NC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104930 XIRFMQXTLJAJTL-HXUWFJFHSA-N 374.396 3.187 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccncc41)[C@@H](C2)C3=O 587435327 DVDIDPBTPQBPEK-SBUREZEXSA-N 369.376 3.326 0 1 FGAF NC(=O)c1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587613172 MNZKEQZCCLESFR-CRAIPNDOSA-N 367.382 3.256 0 1 FGAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 586911826 MIFCLOJYAJUMSW-YOEHRIQHSA-N 365.499 3.266 0 1 FGAF COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1OC 587131654 QVKKGOFYURJVQF-UHFFFAOYSA-N 354.353 3.199 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCCO3 587173966 DRWPBUKFDVWHDY-CYBMUJFWSA-N 352.369 3.197 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)cc(C)cc41)[C@@H](C2)C3=O 587422034 OYBLORJSLIORFJ-HXPMCKFVSA-N 355.777 3.252 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N2CCCc3cccc1c32 587487929 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CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)C2=C1[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@H]1C2 2356484734 GDSQXEJVFDDBEU-UVGJGYEESA-N 350.455 3.003 0 1 FGAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)[C@H](O)C=C2 2356608517 RCIOEOWZSQVXEU-XHDPSFHLSA-N 360.406 3.104 0 1 FGAF COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 14648581 WKTSZGRTOFXXAS-MEDUHNTESA-N 358.346 3.051 0 1 FGAF biogenic Clc1ccc(-c2nc(CNCCN3CCOCC3)co2)c(Cl)c1 72102691 MQASIIDRYJZXSL-UHFFFAOYSA-N 356.253 3.070 0 1 FGAF CC[C@]1(CCC(=O)OC)CCCN2CC[C@]3(C(=O)N(C)c4ccccc43)[C@@H]21 14829380 YARGJPJBVSIYIX-KSEOMHKRSA-N 370.493 3.119 0 1 FGAF biogenic C=C(c1cc(Cl)cc(C)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1 40466139 KTTJQOQUDDFXLX-INIZCTEOSA-N 363.889 3.492 0 1 FGAF CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc(O)c1 49803918 LOLFKKQHIFLOFL-FXAWDEMLSA-N 364.401 3.211 0 1 FGAF CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2cccc(C)c2)n1 82145470 SIADSQIKSYXCCD-OAHLLOKOSA-N 354.454 3.135 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3cccnc3)C2)O1 96018797 JGXSEIVKCCJWBI-CTNGQTDRSA-N 359.514 3.244 0 3 FGAF COc1cc(OC)cc(/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)O)c1 95589514 NCMXGSDEFGLTEE-OMCISZLKSA-N 374.389 3.355 0 1 FGAF NS(=O)(=O)c1ccc(N=Nc2cc3ccccc3c(C(=O)O)c2O)cc1 263607102 ROSNSSVBDFGLGW-UHFFFAOYSA-N 371.374 3.306 0 1 FGAF COC[C@H](C)Oc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 299860038 GJLPLESHKCHSHK-FTRWYGJKSA-N 357.450 3.054 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583216 USDAIDMLPSTXEZ-OXJNMPFZSA-N 365.389 3.034 0 1 FGAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(O)c2[nH]1 587239616 MDBZMDLWYSUJMS-UHFFFAOYSA-N 361.199 3.497 0 1 FGAF C[C@H]1CN(C2CC2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587759298 FPVRTKGEAKDEKL-WVQJBOLRSA-N 353.279 3.432 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2[C@H]3C[C@H]4[C@H]2C(=O)[C@@H]2[C@H]4[C@H]3[C@H]21 587480470 KNWWLOZHVAIBBO-UOYFBZAOSA-N 350.414 3.006 0 1 FGAF CC(C)CCOc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br 587255539 KAOPTKLIHPCVTG-OAHLLOKOSA-N 368.275 3.397 0 1 FGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(F)c(F)cc3[nH]2)s1 587023510 FDNHBYOCAVTGOR-UHFFFAOYSA-N 367.381 3.052 0 1 FGAF FC(F)c1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cnc2ncnn12 587127898 CRPGIDRKUQKXJN-UHFFFAOYSA-N 356.123 3.307 0 1 FGAF COC(=O)[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398105 BNACTQLKAKFKSB-SGTLLEGYSA-N 355.390 3.224 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc4[nH]c(=N)sc4c1)[C@@H](C2)C3=O 587453023 OSXUHCYPHMKSPB-HXPMCKFVSA-N 352.415 3.380 0 1 FGAF CN1CCC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587582489 LOAVYSMXDWSCFI-FIKMYACPSA-N 353.418 3.454 0 1 FGAF CCOc1ccc([C@H]2c3cc(OC)ccc3CCN2CCCOC)cn1 961316915 DIYZYJZRJSVPLU-NRFANRHFSA-N 356.466 3.473 0 1 FGAF CCN1C=C(C(=O)O)[C@@]2(NCCc3cc(C)c(F)cc32)c2ccccc21 962298388 LKGJRBOPNRCETR-OAQYLSRUSA-N 352.409 3.332 0 1 FGAF C[C@]1(c2cc3ccccn3c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227556 QDSXRZNHBGDARV-RBBKRZOGSA-N 357.413 3.350 0 1 FGAF FC(F)(F)c1c[nH]c2nccc-2c1[C@@H]1NCCc2nc3ccccn3c21 962998296 UTIGSZAEAVEFOR-HNNXBMFYSA-N 357.339 3.416 0 1 FGAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCSCC1 11818706 XGARYUWFEJWQSH-UHFFFAOYSA-N 356.806 3.235 0 3 FGAF C[C@@H](O)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651114 DWMZMKQTXRLFTM-VQIMIIECSA-N 362.429 3.238 0 1 FGAF Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1 13673917 LLWIYODDNOMUIA-UHFFFAOYSA-N 365.357 3.092 0 1 FGAF CCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)O)cn3)nc2)cc1 13834128 UBYXPZXRXSCDOB-UHFFFAOYSA-N 363.373 3.493 0 1 FGAF O=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1 150112576 PIQYSYVSOIVWJC-UHFFFAOYSA-N 351.381 3.257 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1ccccn1 6727687 HJWZGNYOFXWRSQ-WVMBZCLNSA-N 374.400 3.037 0 1 FGAF CCOc1c2ccc(C(=O)NCc3ccccc3)cc2nn1CCOC 8762954 FQJXYLZZAAHNIN-UHFFFAOYSA-N 353.422 3.011 0 3 FGAF O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CC2)CC1 53294623 GKJUZPFUCPYNSW-UHFFFAOYSA-N 355.413 3.323 0 1 FGAF CN(C)Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958793 WZKKDTGAEKLNIB-UHFFFAOYSA-N 358.449 3.465 0 1 FGAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)c(C)o1 2356632649 FUGJDSUCBUKCKL-JTQLQIEISA-N 355.350 3.136 0 1 FGAF COC(=O)c1c[nH]n2c(NC3CCCC3)c(-c3cccc(OC)c3)nc12 137671063 ILUORRSDURMOLU-UHFFFAOYSA-N 354.410 3.479 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(c1ccc(F)c(F)c1)C(=O)N2 220520437 ACGNCLWUVXJDDD-LJQANCHMSA-N 356.328 3.425 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CNC4=O)c2nc1NCC(F)(F)F 222415316 JJHPKDPBGCWUNR-UHFFFAOYSA-N 361.327 3.151 0 1 FGAF O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 40011732 AFAREPVJWRKKRW-INIZCTEOSA-N 355.413 3.386 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)O 238787494 PXGPLTODNUVGFL-WWIUBWPPSA-N 354.487 3.043 0 1 FGAF CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CC1CC1 95894877 MPAVIBGXRANZTP-DNVJHFABSA-N 368.521 3.271 0 1 FGAF CC(=O)N1N=C(c2cccs2)O[C@@H]1C(=O)Nc1ccc(C(C)C)cc1 299852013 LZIUIVMVIUUTSD-GOSISDBHSA-N 357.435 3.377 0 1 FGAF COc1cc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)ccc1O 653889526 IJPZOOXCIQBPFO-UHFFFAOYSA-N 368.477 3.114 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(OC(C)C)ccc3[nH]2)c1 586935949 KZVZHJJSFDKBIA-UHFFFAOYSA-N 362.455 3.032 0 1 FGAF CC[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581647 WXAQBPDVZDIOIJ-RXVVDRJESA-N 362.385 3.467 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)(C2CC2)N1 587836150 ZCYVDFAIEXXNIQ-QGHHPUGFSA-N 370.262 3.491 0 1 FGAF COC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588125 PFCBUJHTMNRODV-RXVVDRJESA-N 363.369 3.291 0 1 FGAF COc1cc2c3c(c1)OC(C1CCOCC1)(C1CCOCC1)[C@@H](C2)C3=O 587450746 GDXWJMLJFAKFQY-KRWDZBQOSA-N 358.434 3.035 0 1 FGAF CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1OC 587810306 KMBHVFFGQLUIRQ-MTWJSSBXSA-N 358.251 3.142 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CC(=O)O)N1 587756219 RMLZXEZNWFBGPU-JDNHERCYSA-N 367.218 3.098 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccn3n2)N1 587796134 PIZYWPLCURQMLL-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF O=C(NC1CCC(O)CC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95355672 MIXKMHZWZRKZEN-UHFFFAOYSA-N 353.397 3.174 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CCN(CC(F)(F)F)C1)N(C)[C@H](C)C2 962637197 VXWSILSFSKKIDB-PXAZEXFGSA-N 358.404 3.044 0 1 FGAF O=C(O[C@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 1772647531 RCGNIECWOLYYSJ-KRWDZBQOSA-N 358.781 3.099 0 1 FGAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccc(O)n1 169303417 HAONMKBGCRQXQR-AWEZNQCLSA-N 370.359 3.059 0 1 FGAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cc3F)c12 169697356 QRLRUHZRRJUAKC-UHFFFAOYSA-N 371.807 3.334 0 1 FGAF NC1=N[C@@H](CCc2ccc(Nc3cccc(C(F)(F)F)n3)cc2)CO1 169701168 HEVVVSUEACCFGT-ZDUSSCGKSA-N 350.344 3.490 0 1 FGAF NC(=S)c1cccc(-c2cn(Cc3cnc[nH]3)c3cc(CO)ccc23)c1 1857549735 QTCPMGDJEVDWDA-UHFFFAOYSA-N 362.458 3.206 0 1 FGAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4ccccc4F)c3c2)C1 1857745574 GRVCUTZSHYRYAL-QWHCGFSZSA-N 367.428 3.324 0 1 FGAF CC=CC(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356359512 MHLKYRDXNNGAMX-OALUTQOASA-N 372.373 3.056 0 1 FGAF COc1ccc(F)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 101444670 SKJONSWSIFDKAN-HZPDHXFCSA-N 358.413 3.353 0 1 FGAF COc1ccc2c(c1)nc1n2CCC(O)=C1C(=O)Nc1ccccc1F 100018475 VLHFZFGFQCCORX-UHFFFAOYSA-N 353.353 3.496 0 1 FGAF COCc1cn(CC2CCN(Cc3c(C)[nH]c4ccccc34)CC2)nn1 20537780 ZBONGJYBSUBURQ-UHFFFAOYSA-N 353.470 3.126 0 1 FGAF CCCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)C[C@H]1c1ccccc1 28525404 BEOATIXNXFYMJU-VQTJNVASSA-N 350.462 3.488 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)[C@H](O)C[C@@H]2[C@@H](C=C1C)OC(=O)[C@H]2C 2356617324 XVMRFXLOVBJZJH-NAJMEWCQSA-N 350.455 3.169 0 1 FGAF CC(C)Oc1ccc2c(c1)C(=O)C1(CCN(CC3CCOCC3)CC1)N2 1911584993 YNTIRVMZMHZIGQ-UHFFFAOYSA-N 358.482 3.343 0 1 FGAF COc1ccccc1C(=O)N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O 199410667 YTGOHWKUQYYMBY-SFHVURJKSA-N 370.424 3.145 0 3 FGAF COc1cc2c(c(OC)c1)[C@@H](Cc1ccc(OC)c(OC)c1)N(C)CC2 40568002 UGIPNXAIXBQPSS-QGZVFWFLSA-N 357.450 3.493 0 1 FGAF NC1=N[C@]2(CO1)c1cc(-c3ccccc3)ccc1OC1(CCC1)C21COC1 149404050 OUSCSZCQKOULOD-JOCHJYFZSA-N 362.429 3.226 0 1 FGAF O=C(Cc1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 587069131 CNYDGVRJGRTCRJ-UHFFFAOYSA-N 351.591 3.146 0 1 FGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)cc2[nH]1 587094256 OFGKCKVEWFLNRV-LURJTMIESA-N 350.138 3.455 0 1 FGAF Cc1nc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2n1 587587975 QVOPARZWFNDWOY-RXVVDRJESA-N 373.368 3.446 0 1 FGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)C(C)(C)C 587205802 UGLPVNPMGJVJRE-SNVBAGLBSA-N 353.854 3.440 0 1 FGAF Nc1cnnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1Cl 587656125 BAENOMAECNKXJA-UHFFFAOYSA-N 367.771 3.217 0 1 FGAF CCOc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncn1 587662034 WPCHFTRLAYTTTL-UHFFFAOYSA-N 362.364 3.381 0 1 FGAF COc1cc(OC)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 586996181 ATKQKRCLUHRYOP-OAHLLOKOSA-N 363.211 3.424 0 1 FGAF FC(F)(F)Oc1ccc2c(-c3nc4nc(Cl)ncc4[nH]3)n[nH]c2c1 587126500 CBEZEGBRJHGXOJ-UHFFFAOYSA-N 354.679 3.448 0 1 FGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(O)c2[nH]1 587114219 XMYSFBSWAYMZCC-INIZCTEOSA-N 364.327 3.082 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(OC(F)F)cc3OC(F)F)nc2n1 587368014 GGXCXCGWWOUVPU-UHFFFAOYSA-N 371.246 3.306 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3nc(Br)cs3)c3cccc1c32 963032736 SNGXCNODLOREAX-RMLUDKJBSA-N 364.268 3.048 0 1 FGAF Cc1c(F)ccc2c1[C@@]1(CC[C@@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962095334 WUBQISBLJXVPSB-QRQCRPRQSA-N 364.420 3.324 0 1 FGAF Cn1cnc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962961307 RNQBOKUNEKFRCD-MRXNPFEDSA-N 351.372 3.180 0 1 FGAF Cc1cc(NC(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)n[nH]1 1772571315 AMVGAAIOOULOHA-UHFFFAOYSA-N 357.377 3.390 0 1 FGAF CCOCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772583552 VWZAJKOTHXVZNK-GFCCVEGCSA-N 369.425 3.386 0 1 FGAF CNC1=Nc2cc(-c3cccc(CCC(=O)O)c3)sc2N2[C@H](C)C=N[C@@H]12 169725055 NVXVJBWWBWRUQP-ADLMAVQZSA-N 368.462 3.301 0 1 FGAF N#Cc1cccnc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205055355 SLIXUWJAADROCT-UHFFFAOYSA-N 369.306 3.374 0 1 FGAF CC[C@@H]1C[C@@H](OC(C)C)N(C)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103215069 WOXIFYBESQTQTO-UKRRQHHQSA-N 368.865 3.383 0 1 FGAF O=S(=O)(c1ccc(F)cc1)n1cc(C2=CCCNC2)c2ccccc21 28526550 PKSXYHMBORWHAI-UHFFFAOYSA-N 356.422 3.394 0 1 FGAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1C[C@H](C)C(=O)C3 29230950 DYVYBMXIBPLUKH-QBCAUPEHSA-N 355.478 3.294 0 1 FGAF Cc1cnsc1[C@H](c1ccc(CC(C)C)cc1)N1CCN(CCO)CC1 28251327 ZNPJZYLEBJAUGV-FQEVSTJZSA-N 373.566 3.349 0 1 FGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccsc1 2356580536 WTRXSGKWQSGMQB-NUJGCVRESA-N 362.543 3.066 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(CC(=O)OC)C1)[C@@H]32 2356759271 XXLGNVWUAFQREB-BHIFYINESA-N 368.477 3.343 0 1 FGAF COC(=O)C1=CO[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 967901 BXTHVTLKWJZGAA-KPAZRMRSSA-N 350.418 3.447 0 1 FGAF biogenic CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2 36271269 XSCLLXQHZKNMDH-NYTXWWLZSA-N 369.246 3.494 0 1 FGAF C[C@@H](C(=O)[C@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CC[C@H](O)C1 38208915 OIMXBOSCSZXRHQ-RYRKJORJSA-N 367.445 3.381 0 1 FGAF COc1ccc2c(c1OC)[C@H](OC)N1CCc3cc4c(cc3C1=C2)OCO4 14620414 BDTBYIJGOTZJPM-NRFANRHFSA-N 367.401 3.447 0 1 FGAF biogenic COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1C 14647603 AXCXIPWOLDUSPI-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic CCN(C(=O)[C@@H]1C(=O)c2c(Cl)cccc2N(C)C1=O)c1ccccc1 136022538 HVJWAZYLNCBKTB-MRXNPFEDSA-N 356.809 3.168 0 1 FGAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1 82068292 YPVINCJZRYSYKF-UHFFFAOYSA-N 374.416 3.465 0 1 FGAF N#Cc1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COC3=O)cc2n1 221622081 AJUOQAFFUYWDQQ-UHFFFAOYSA-N 361.332 3.391 0 1 FGAF CSc1ccc(-n2cnc3c(sc4ncnc(N(C)C)c43)c2=O)cc1 95560542 XJCYHMKHRQTZFD-UHFFFAOYSA-N 369.475 3.178 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C(O)C[C@@]13COC(=O)C1=CCC[C@@H]32 238756003 AHNAHYGLOSJRIT-PBGAUENZSA-N 356.374 3.369 0 1 FGAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@@H]4CCCNC4)cc3)c12 96168365 VAMKICILLMHAOR-QGZVFWFLSA-N 363.465 3.377 0 1 FGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C[C@H]3CCC[C@H](C(=O)O)[C@@]13C)OC(=O)[C@@H]2C 238784312 LTLYQGXUQKXVEU-QBSLLXDRSA-N 362.422 3.222 0 1 FGAF COc1cc(C(=O)c2ccc3c(c2)c(C(=O)O)cn3C)cc(OC)c1OC 95584046 WQNJPMKNRZWOQJ-UHFFFAOYSA-N 369.373 3.133 0 1 FGAF CCCCN(C)c1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261146727 NZKWELHADKRVPQ-WKILWMFISA-N 355.486 3.490 0 1 FGAF CC(=O)Nc1cccc(-c2cnc3ccc(N[C@H]4CC[C@H](N)CC4)nn23)c1 299847603 FPXHSXLDEYDKTL-WKILWMFISA-N 364.453 3.037 0 1 FGAF O=C1O[C@@]2(C(=O)N(c3ccc(Cl)cc3)C(=O)N2C2CC2)c2ccccc21 653847640 HUNOMXIPOSNRET-LJQANCHMSA-N 368.776 3.294 0 1 FGAF CC(=O)C[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587827351 KROJJQTXPSEWTM-JDNHERCYSA-N 372.234 3.162 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCOCC2)N1 587767015 PXBUZPSRCUHHPA-ZBEGNZNMSA-N 371.294 3.274 0 1 FGAF COC(=O)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705713 NZKNSWVAPMHPRR-QTTZVWFDSA-N 370.140 3.053 0 1 FGAF COC(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592800 KNMOXBAPPHWJLF-PXNSSMCTSA-N 356.374 3.312 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)OC)c2[nH]1 586963107 KIVZNLLPVPMXHF-GFCCVEGCSA-N 358.423 3.397 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1 587124030 KPYSTPUYFDZLHU-UHLUBPPHSA-N 365.315 3.463 0 1 FGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587094405 RIFGOOQQHOFYKF-QMMMGPOBSA-N 355.295 3.017 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)c3ccccc31)CC2=O 587494752 YNTNZVUGMQBNSD-HXUWFJFHSA-N 372.442 3.383 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2N)N1 587743316 CYCAOOFOYMQNQZ-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF CC(=O)NC1(c2nc3cc(Br)ncc3[nH]2)CCC(C)CC1 587234603 RHPCHOKNUJIEDW-UHFFFAOYSA-N 351.248 3.262 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(C1CCOCC1)[C@@H](C2)C3=O 587436495 PXBFYOAFHWGGPN-UWJYYQICSA-N 351.402 3.160 0 1 FGAF COc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587776612 YHIGCNJFXXRCMX-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1S(C)(=O)=O)CC2=O 587489836 WDJVRNNOJKIULT-FUHWJXTLSA-N 352.452 3.036 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COCc3[nH]ccc32)N1 587804014 QMASTNUJEDOVFE-JDNHERCYSA-N 351.219 3.224 0 1 FGAF CN1CC[C@](C)(O)[C@@H]([C@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962711883 QRUZAEQQJWPAPS-UFYCRDLUSA-N 360.523 3.317 0 1 FGAF COc1ccc2ccc(=O)oc2c1Oc1c(O)cc(O)c2ccc(=O)oc12 13378572 UOWOBKCJCCNEOP-UHFFFAOYSA-N 368.297 3.112 0 1 FGAF biogenic,in-vitro COc1cc(C(=O)Nc2cc3ccccc3oc2=O)cc(OC)c1OC 169322423 BKHAKDFBEXNJIG-UHFFFAOYSA-N 355.346 3.071 0 1 FGAF CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]12CNC(=O)O2 29220186 VJAWHLLPUCCOMO-WJPUGNRLSA-N 374.481 3.292 0 1 FGAF CCCCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O 29567092 KAPSRMPOHKTOAJ-UHFFFAOYSA-N 374.389 3.308 0 1 FGAF CNC(=O)[C@H](OC)c1cccc(COc2ccccc2Br)c1 103177073 YDAUJNASTCPFBZ-MRXNPFEDSA-N 364.239 3.462 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(O)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632392 JEYBNNVZHSMLCJ-SJCJKPOMSA-N 368.458 3.066 0 1 FGAF O=C1NC(=O)/C(=C/c2ccc(OCCn3cnc4ccccc43)cc2)S1 29388655 QNRUQJZMMQIAGF-BOPFTXTBSA-N 365.414 3.439 0 1 FGAF C[C@@H]1N[C@H](C2CCC(CCCCC[C@H](O)CC(=O)O)CC2)CC[C@H]1O 2356308318 LCYHJMKSXUPWHT-HRCCTRRKSA-N 355.519 3.080 0 1 FGAF CNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 66079413 PMVALNFITVIOKT-UHFFFAOYSA-N 357.460 3.387 0 1 FGAF COc1ccc(C[C@H]2C(=Cc3ccc4c(c3)OCO4)CO[C@@H]2O)cc1OC 2356417359 YXNHNPCOSSOQPL-KKSFZXQISA-N 370.401 3.023 0 1 FGAF CC(=O)c1nc2ccccc2n1CC(=O)Nc1ccn(Cc2ccccc2)n1 20820758 MERZPKFPRLLWQL-UHFFFAOYSA-N 373.416 3.122 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@@H]1O 2356515171 DEQPIGLSNWHDFR-DWRORGKVSA-N 358.475 3.011 0 1 FGAF CC(=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 2356762394 WTAGIHGECXTWAX-QVKFZJNVSA-N 368.385 3.212 0 1 FGAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)C1CCCCC1 34095548 RYSKFDQMKULSGP-HXUWFJFHSA-N 361.445 3.499 0 1 FGAF CCCNC(=O)c1ccc(-n2cc(-c3cc(F)cc(F)c3)nn2)cc1O 71315918 SJBAIRNJBQXNSR-UHFFFAOYSA-N 358.348 3.058 0 1 FGAF COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)c(OC)c1 223271718 GZHGQOZEQDSHPV-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF O=S(=O)(Nc1ccc2nc(-c3ccccc3)nn2c1)c1ccccc1F 82081899 OSNPOBBIKSYQQW-UHFFFAOYSA-N 368.393 3.336 0 1 FGAF NC1=N[C@]2(CS1)c1cc(Br)ccc1CC21CCC(O)CC1 140629055 MYWBDJIEALSXOQ-VDSRIPIWSA-N 367.312 3.183 0 1 FGAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC(C)C 146685487 FDPUDIAMESRREB-UHFFFAOYSA-N 353.418 3.134 0 1 FGAF Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1 146360307 ZAKXIDSDKFMESX-UHFFFAOYSA-N 369.856 3.123 0 1 FGAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)OCO4)cc(OC)c1OC 299828148 LOHVOYPIZPTDBT-CQSZACIVSA-N 358.346 3.148 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccn(C)n1)[C@@H](C2)C3=O 587429504 VMGVQTUZKGVEFY-KKSFZXQISA-N 364.376 3.259 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(O)ncn1 587866385 ZMFNJRVVFJOGJA-UHFFFAOYSA-N 350.300 3.452 0 1 FGAF COC(=O)C(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587526222 SHRDRXCMDXIXLP-NRFANRHFSA-N 358.434 3.448 0 1 FGAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(Oc4cc(OC)cc5c4C(=O)[C@H]1C5)[C@H](C3)C2 587443824 PWSKLSJSIKWARF-YMEIBLQVSA-N 368.429 3.181 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc[nH]c(=N)c2[nH]1 587191721 YFWGMGGOQLXRFB-OAHLLOKOSA-N 353.426 3.327 0 1 FGAF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 587642907 PVQZABKRZAVGSV-SNVBAGLBSA-N 370.409 3.144 0 1 FGAF Cc1ccc([C@@]2(CCn3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392711 WDSAHGRDBPHTNI-OAQYLSRUSA-N 362.433 3.428 0 1 FGAF Nc1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 587185180 YQYYRRUELAFCQW-PLNGDYQASA-N 362.174 3.315 0 1 FGAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc(Cl)c1OC 962911123 OVURLUVIRYZQJN-HOCLYGCPSA-N 365.788 3.185 0 1 FGAF Cn1ncc2c(N[C@@H]3CCCC[C@@H]3O)nc(Nc3ccc(F)c(F)c3)nc21 1772621913 FAEFJAXVWIDYCQ-CABCVRRESA-N 374.395 3.101 0 1 FGAF NS(=O)(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1 13583491 LSLAZVBENOYDBH-UHFFFAOYSA-N 374.462 3.422 0 1 FGAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2F)cc1)C(F)(F)F 13760205 BWSPNJIWXYYHAT-INIZCTEOSA-N 355.287 3.309 0 1 FGAF O=C(OCc1ccccc1)N1Cc2n[nH]c(=O)c3cccc4[nH]c(c2c43)C1 150192247 DWPOZLNCERCETA-UHFFFAOYSA-N 360.373 3.057 0 1 FGAF Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 150242201 QYURNBXHNZHFLQ-FQEVSTJZSA-N 362.433 3.000 0 1 FGAF NCCCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205266706 AAFLEKIXVSWFPN-UHFFFAOYSA-N 359.437 3.233 0 1 FGAF COc1ccc(OC)c2c1C[C@H]1c3cc4c(cc3CCN1C2)OCCO4 205509772 ITCUCWQVCFTWPK-KRWDZBQOSA-N 353.418 3.131 0 1 FGAF COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ncccn2)CC3)cc1 3956079 FLDWBELDKFEMRW-UHFFFAOYSA-N 366.465 3.008 0 1 FGAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 3956225 JVMFKASUWDGYBQ-NRFANRHFSA-N 354.450 3.417 0 1 FGAF COCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356390173 SLMVROKGKGNOBN-BDQTZDJDSA-N 364.526 3.193 0 1 FGAF Cc1nc(OC2CCC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247206 ANGVJJZRHLEHBP-RVVDASHESA-N 362.495 3.052 0 1 FGAF Fc1cccc(-c2[nH]ncc2-c2nc3c(cnn3Cc3ccncc3)[nH]2)c1 20998959 WDFVCPHUGJSALT-UHFFFAOYSA-N 359.368 3.399 0 1 FGAF O=C(Nc1nc(-c2ccccn2)cs1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100492557 BUBJCZANUHVOHM-IJKBLAIYSA-N 355.463 3.475 0 1 FGAF CC(=O)Oc1cc2c(c(Cl)c1OC(C)=O)CCNC[C@@H]2c1ccccc1 27107607 OKLSTTFHEBNKCC-QGZVFWFLSA-N 373.836 3.468 0 1 FGAF C[C@@H](C1CC1)N1Cc2cc(-c3cc(C(=O)N(C)C)no3)cc(Cl)c2C1=O 115410532 MCPBSUCAISQZQK-JTQLQIEISA-N 373.840 3.451 0 1 FGAF investigational CC(C)(C)OC(=O)N1C(=O)C[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 27441491 FJLDPSORVKXTBD-PMPSAXMXSA-N 359.422 3.292 0 1 FGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2NC2CCCC2)nc1 28883817 XAXKIFBQVUEXLN-UHFFFAOYSA-N 374.388 3.044 0 1 FGAF CC(C)c1cc(-c2[nH]nnc2-c2ccc3c(c2)OCCO3)c(O)cc1O 1911571383 MNNABLCTSKTYDP-UHFFFAOYSA-N 353.378 3.445 0 1 FGAF COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 14648582 WKTSZGRTOFXXAS-BZNIZROVSA-N 358.346 3.051 0 1 FGAF biogenic COCCOc1cncc(-c2cc3c(ccc4c5c([nH]c43)CNC5=O)cn2)c1 72112417 ZRAANXMCPIIUKV-UHFFFAOYSA-N 374.400 3.047 0 1 FGAF COc1ccc([C@]2(CCN(C)C(C)=O)CCc3ncccc3C2)cc1OC 14768404 UMUMEGIWYBLJKH-QFIPXVFZSA-N 368.477 3.394 0 1 FGAF biogenic O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccoc1 1911576904 AYHDBGOTFRVUIU-AWEZNQCLSA-N 353.205 3.398 0 1 FGAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccccc1 40753958 ROLKCIWNGVNOTL-KRWDZBQOSA-N 366.417 3.167 0 1 FGAF CCCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)N(C)C)c1 84652503 XHEGGWMBRCKWCR-UHFFFAOYSA-N 353.422 3.379 0 1 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N3CCc4ccccc4C3)c2)n1 89469238 SLOVUMPGCZATOY-UHFFFAOYSA-N 361.449 3.410 0 1 FGAF Nc1cc2c(cc1Cl)NC(=O)Nc1cncc(n1)OCC/C=C/CO2 43120008 DSUIEFJZFWCWOF-OWOJBTEDSA-N 361.789 3.074 0 1 FGAF CC(=O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95583118 PQMFRONJJWYCHO-UHFFFAOYSA-N 372.384 3.442 0 1 FGAF COc1cc2nc(=S)n(CCN3CCCC[C@@H]3C)c(O)c2cc1OC 253530846 BGELUCYWINENLM-LBPRGKRZSA-N 363.483 3.363 0 3 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cccnc2-c2ncccc21 587396324 ZJFOBYAGRCIYNZ-OAQYLSRUSA-N 357.369 3.091 0 1 FGAF N=c1nc(O)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c[nH]1 587253755 OSKSKHFJDQBHMC-UHFFFAOYSA-N 363.221 3.176 0 1 FGAF CCCOc1cc2nc(C3(O)CCOCC3)[nH]c2cc1Br 586912825 GXLMOQWUAMPZDW-UHFFFAOYSA-N 355.232 3.112 0 1 FGAF COC(=O)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595780 SUFVILSYTKQNOJ-LTBCBRHQSA-N 368.385 3.456 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 587401178 TYGGXJKHCZMACA-KRYHZZBUSA-N 358.438 3.311 0 1 FGAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(C4OCCO4)c1)[C@@H](C2)C3=O 587456181 SHVNCDNTJTVANE-MSOLQXFVSA-N 366.413 3.489 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C(F)(F)F)cccc21 587382994 QDWIIXZQWOGHNF-KRWDZBQOSA-N 362.307 3.409 0 1 FGAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnn1-c1cccc(Cl)c1 587368370 IGEZIJCDKGSUCX-UHFFFAOYSA-N 353.769 3.251 0 1 FGAF CC1(C)OCC2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356844 RQSDGJKQCYJRBJ-QGZVFWFLSA-N 358.365 3.412 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc(C(F)(F)F)cc1)O2 587381216 HQCTZVDYTCFLNH-KRWDZBQOSA-N 351.324 3.449 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCOCC2)N1 587836478 VSAOTICHOBNOTE-IINYFYTJSA-N 358.251 3.359 0 1 FGAF CC(C)[C@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760991 RXKIEPIOQIVXNW-HWPZZCPQSA-N 367.266 3.151 0 1 FGAF COC(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587765796 DLARYNKDWDRTPA-SNVBAGLBSA-N 371.250 3.180 0 1 FGAF CC1=C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)[C@@H](c2cc[nH]n2)C(=O)O1 963118668 GXFQRSLWEIAPGX-RDJZCZTQSA-N 364.232 3.302 0 1 FGAF CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1 13544235 IQNUHSAHJVXATQ-UHFFFAOYSA-N 363.822 3.413 0 3 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccncc4)CC3)CC2)nc1 100052838 SBJAROVNDHTDKY-KDURUIRLSA-N 366.513 3.055 0 1 FGAF C=CC(=O)N1CC[C@@H](n2cc(-c3cc4ccccc4o3)c3c(N)ncnc32)C1 1857619374 RVDPIUBBAZZMPR-CQSZACIVSA-N 373.416 3.386 0 1 FGAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 967907 GRTOGORTSDXSFK-GCUGWZBJSA-N 352.434 3.179 0 1 FGAF O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)C1CCCCC1 1381484 NSNWNNFDHSKUDW-UHFFFAOYSA-N 368.528 3.162 0 3 FGAF Cc1ccc(SC[C@H](OCn2cnc3c(N)ncnc32)[C@H](C)F)cc1 1855784 RKNPTNALCDEBCL-JSGCOSHPSA-N 361.446 3.210 0 1 FGAF Cc1ccc2c(c1)N(CCCC(=O)N(C)Cc1ccccc1)C(=O)CO2 3047647 WMTDWXXEJNOICR-UHFFFAOYSA-N 352.434 3.159 0 1 FGAF O=S(=O)(c1ccccc1F)n1cc(C2=CCNCC2)c2ccccc21 28130465 WIXPGFSAQJCJED-UHFFFAOYSA-N 356.422 3.394 0 1 FGAF O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 101328755 HAOXLWHTJOXRAS-PJIJBLCYSA-N 360.413 3.406 0 1 FGAF COC(=O)c1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1 64521181 PQALIRIJPTWSLE-DUXPYHPUSA-N 358.463 3.497 0 1 FGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)C[C@@H](O)CC(=O)O 2356562331 QVYJIEVLAGBEIH-IPMKNSEASA-N 352.471 3.129 0 1 FGAF CSc1cc(NCc2cccnc2)n2ncc(Br)c2n1 28958932 WDQLKDAPTHYYSE-UHFFFAOYSA-N 350.245 3.221 0 1 FGAF COc1ccc(NC(=O)[C@@]2(C)CCN2CCOc2ccccc2)cc1OC 61896620 FKFHKVOIAPITHG-OAQYLSRUSA-N 370.449 3.186 0 3 FGAF CNc1ncc2c(n1)N1CCC(=O)N1C(c1c(Cl)cccc1Cl)=C2 36187659 IGMWHBKFCMLRRH-UHFFFAOYSA-N 362.220 3.291 0 1 FGAF COc1ccc([C@H](CNC(=O)/C=C/c2ccccc2)OC(C)=O)cc1OC 35982941 XULKPSWLPHAMGU-JTPHSUOKSA-N 369.417 3.138 0 1 FGAF c1nc(NCCc2c[nH]cn2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 36382585 LGQKIASGYQMERJ-UHFFFAOYSA-N 359.389 3.403 0 1 FGAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)cc1O 71316338 ACDJNBCQONNVNU-AAWHYMEISA-N 360.406 3.348 0 1 FGAF CCOc1ccc(Nc2c(C)c(O[C@H]3CCCNC3)nc3ccnn23)cc1 45298681 OASNHBNYZIVENG-KRWDZBQOSA-N 367.453 3.311 0 1 FGAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@H]32)cc1 98085186 JMVCLSNEUUCWCL-PMACEKPBSA-N 357.417 3.456 0 1 FGAF COc1cncc([C@@H](NC(=O)c2coc3ccccc23)C2CC(O)C2)c1 230512364 XXCDOGBTWGMZHS-JSORRYRYSA-N 352.390 3.078 0 1 FGAF O=C1c2ccccc2C(=O)N1CCC[C@H]1NCCc2c1[nH]c1ccccc21 72179340 AEHPJWOORSYVKG-LJQANCHMSA-N 359.429 3.431 0 1 FGAF biogenic COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1COC(C)=O 473134796 CWWCKIYAPMTJLY-UHFFFAOYSA-N 374.389 3.021 0 1 FGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(N)ccnc3[nH]2)c(O)c1 587240385 JCVZDGQCLYBAIN-UHFFFAOYSA-N 373.416 3.402 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)CCC(=O)N3C)O2 587401660 VUEMJNQBWCNBCV-NRFANRHFSA-N 350.418 3.367 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587441965 WIJNGLQARKHXKD-PYFOHURJSA-N 354.358 3.036 0 1 FGAF CC(C)[C@@](C)(O)c1nc2c(I)cnc(Cl)c2[nH]1 586891165 SZNRRFQFNXXPBD-LLVKDONJSA-N 365.602 3.079 0 1 FGAF CCOC(=O)Cc1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 587234365 KLXAECARLHXCDV-UHFFFAOYSA-N 357.454 3.210 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)o1 586931471 DMYXQHSZZUWXEC-UHFFFAOYSA-N 360.222 3.380 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)COCOC2)N1 587834919 NKBWKSCDIYUHPZ-QLJPJBMISA-N 358.251 3.348 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586908582 SBPXQHSVJZRBGH-UHFFFAOYSA-N 369.446 3.345 0 1 FGAF CCOc1n[nH]c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1Br 586979687 UQMQKVYTYCURQL-UHFFFAOYSA-N 356.611 3.471 0 1 FGAF COC(=O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165260 NRBRTXWKBUGXAC-UHFFFAOYSA-N 350.353 3.400 0 1 FGAF O=C(O)c1ccc(-c2cc(-c3nc4c(O)ncnc4[nH]3)ccc2F)cc1F 587138251 DZXOJEFGCQRNOD-UHFFFAOYSA-N 368.299 3.369 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1cccnc1Cl 587649647 RRXJEUVBTNGQRQ-UHFFFAOYSA-N 363.826 3.181 0 1 FGAF Nc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1C(=O)O 587248391 ORKNAPDZQLQRDV-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF COc1nc(N2CCCC2)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587394752 IPEAAKKKUFPBBE-QGZVFWFLSA-N 353.422 3.288 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccccc3Oc3cnccn3)c3cccc1c32 963021422 GYTFDQKMWSRWMM-FPTDNZKUSA-N 372.428 3.412 0 1 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccccc2)cc1 205385861 LCTFOEQZLXFUCH-IBGZPJMESA-N 366.417 3.409 0 1 FGAF Nc1ncccc1-c1cc(Cc2ccc(OCc3ccncc3)nc2)no1 1857605534 HFXSJWUYIGSHOB-UHFFFAOYSA-N 359.389 3.279 0 1 FGAF O=C(NC1CCCCC1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356321323 GSQMPDJGCJQDAW-WMLDXEAASA-N 360.433 3.144 0 1 FGAF CC(=O)C[C@@H]1OC(=O)C2=CCC[C@H]([C@@H]3C[C@H](c4ccoc4)OC3=O)[C@]21C 2356402726 OHWWUONSFYAWNR-IPLAQRPESA-N 358.390 3.131 0 1 FGAF COc1ccc(-c2nonc2-c2cc(OC)c(OC)c(OC)c2)cc1O 6745069 QRDXRGCBVKJYSX-UHFFFAOYSA-N 358.350 3.144 0 1 FGAF COc1cc(-c2nc(C(=O)c3ccc(F)cc3)c[nH]2)cc(OC)c1OC 64527306 YNFYHIMFRSUTOP-UHFFFAOYSA-N 356.353 3.473 0 1 FGAF C[C@H](NC(=O)NC1CCCCC1)c1onc(-c2cccnc2)c1C(=O)O 2356299138 YVLOPRACCBHFNY-NSHDSACASA-N 358.398 3.128 0 1 FGAF CC(C)(C)C(=O)NCCCCN1CCN(c2cccc(Cl)c2)CC1 28236549 VNGXWCQDWFYDOS-UHFFFAOYSA-N 351.922 3.405 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4Cl)C[C@H]3C2)n1 116821881 FOETXTIGELKUMZ-IYBDPMFKSA-N 370.884 3.264 0 1 FGAF Cc1cc2c(c(O)c1C=CC(C)C)C(=O)[C@@H](O)[C@@H](c1ccc(O)cc1O)O2 2356464632 QKFCFTIQHYXZRG-NHCUHLMSSA-N 370.401 3.458 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356493656 ANOICLBSJIMQTA-XSLAGTTESA-N 350.455 3.027 0 1 FGAF C[C@H](/N=c1/c(-c2ccc(Cl)cc2)c(O)c1=O)c1ccc2c(c1)OCCO2 71928388 BEERYGKEUCLLBS-UDJRCTOUSA-N 369.804 3.382 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCC2CCCCC2)co1 82073749 JFCWFXLVCBKISX-UHFFFAOYSA-N 369.465 3.419 0 1 FGAF COc1ccc2c(c1)C(=O)c1nccc3c(OC)c(OC)c(OC)c-2c13 140856737 BMOUPTNOPZOODW-UHFFFAOYSA-N 351.358 3.481 0 1 FGAF COc1ccc(Nc2nc(-c3ccc(N)nc3)cn3ccnc23)cc1OC 147027019 UUGFFVXOVKEYMH-UHFFFAOYSA-N 362.393 3.134 0 1 FGAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnc(CC(C)C)s1 147977109 ZJUJOBGELBNKFS-UHFFFAOYSA-N 357.483 3.196 0 1 FGAF Cc1nc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc(F)c2[nH]1 149879095 WYPRMGVPTUGHFM-UHFFFAOYSA-N 374.379 3.491 0 1 FGAF CCCCSC(=S)N1CCN(C(=S)Nc2cccnc2)CC1 299867273 QBJQMYNWMSBCJD-UHFFFAOYSA-N 354.570 3.214 0 1 FGAF Cn1nc(-c2ccccc2)c(-c2ccc3c(O)nc(O)nc3n2)c1Cl 587368766 OMDBKBWPOSAGTG-UHFFFAOYSA-N 353.769 3.157 0 1 FGAF COc1ccc(/C=C/Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(OC)c1 587928927 ILLYACSVYBTLNY-ONEGZZNKSA-N 350.378 3.418 0 1 FGAF Cc1ccc(C)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 587134031 IMPAWTJPPZYALG-UHFFFAOYSA-N 369.368 3.076 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cn2)OCO3)N1 587779401 RVVVZBIKAHQTGU-VPTHRUTESA-N 365.202 3.336 0 1 FGAF COc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cn1 587028953 CPJUBODSOGROML-UHFFFAOYSA-N 353.407 3.116 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O 587421273 LKLJKGCDTUENGY-WLRWDXFRSA-N 355.777 3.252 0 1 FGAF Nc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1N 587173219 UGKWECILKOIXII-UHFFFAOYSA-N 367.359 3.322 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3cccc(C(=O)O)c3[nH]2)cc1 586970159 HNKJGYAKQQKCMO-UHFFFAOYSA-N 369.446 3.484 0 1 FGAF O=C(O)c1ccc(O/C=C2/NNC(=S)N2c2ccc(Cl)cc2)cc1 957884014 WUVTUIUVEHMCFR-ZROIWOOFSA-N 361.810 3.115 0 1 FGAF CCOC(=O)c1ccccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963020199 GAIUTXSYBXDPIZ-XCLFUZPHSA-N 350.418 3.006 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)N(C)[C@@H]31 12509896 LEXMKBIUBIUDRP-JRGCBEDISA-N 374.488 3.345 0 1 FGAF O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)NCc1ccccc1 13755842 KKBWGPBSBAQQGD-IBGZPJMESA-N 352.434 3.494 0 1 FGAF C/C=C/[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)CC(=O)N1Cc1ccccc1 206020795 AXHFTJJPDADVNL-FHVPNJMCSA-N 355.459 3.206 0 3 FGAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccccc2F)C1=O 200051515 CXNGANVMNXWIOS-LJQANCHMSA-N 354.425 3.445 0 3 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccccc2F)nn1 203462376 REWPCLJIXNJJKZ-UHFFFAOYSA-N 354.385 3.234 0 3 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccc(F)c(F)c2)nn1 203462793 HBGASBKCEHFLIV-UHFFFAOYSA-N 372.375 3.074 0 3 FGAF CC(C)[C@H](CO)NCc1nc(-c2cncc(C(F)(F)F)c2)ccc1F 204419295 BSYCWSUBOFNQPG-INIZCTEOSA-N 357.351 3.408 0 1 FGAF CCCN=c1[nH]c(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccccc12 1857603309 KSTZBUQVGRBPET-JLHYYAGUSA-N 367.474 3.448 0 1 FGAF CCCC(=O)OCSc1ccccc1C(=O)Nc1ccccc1C(N)=O 1857604218 VSZQQGCMRZBSLK-UHFFFAOYSA-N 372.446 3.431 0 1 FGAF COc1ccc2c(c1N)CC[C@H](C(=O)c1ccc(OC)c(OC)c1OC)C2 1857762742 LTMFQCYRDCFNDM-ZDUSSCGKSA-N 371.433 3.291 0 1 FGAF CC(=O)c1cccc2c1OC(C)(C)[C@H](O)[C@H]2NC(=O)c1ccc(F)cc1 3823983 VQTZWZYSOPISCU-FUHWJXTLSA-N 357.381 3.031 0 1 FGAF Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12 103261406 JWJMJKSGYPCRTH-UHFFFAOYSA-N 366.812 3.361 0 1 FGAF CCCN(C1=NCCN1)c1c(Br)cccc1Br 28228258 KLGIPVOWXXVDTP-UHFFFAOYSA-N 361.081 3.387 0 1 FGAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CN(C)C)C[C@@H]12 28872214 IFNJOZIBBUXVCP-ZOWAETONSA-N 359.510 3.406 0 1 FGAF N[C@]12CC(C(F)(F)F)=C[C@@H](Cc3nc(O)ccc31)/C2=C\C(F)(F)F 100809900 BQYXYZYJEUBVBN-DZRILMCHSA-N 350.262 3.495 0 1 FGAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2C)cc1 100092580 BEDRWWXRVWDJEA-CEMFKGJOSA-N 368.502 3.157 0 1 FGAF COC(=O)C=Cc1ccc(O)c(Oc2ccc(CCC(=O)OC)cc2)c1 2356627013 SVHVUJXOBGSWIX-UHFFFAOYSA-N 356.374 3.476 0 1 FGAF CCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61931023 GEUQUSZFVWZXJI-UHFFFAOYSA-N 365.389 3.038 0 3 FGAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@H]3C[C@@H]3C(=O)O)c2cn1)c1ccccc1 219767125 KTFYTEZRZJPGEJ-WXHSDQCUSA-N 365.393 3.029 0 1 FGAF O=C(O)CN1C(=O)S/C(=C\C=C\c2ccc(C(F)(F)F)cc2)C1=O 72174954 DQLWNOQVOPSJGI-YUTSCENRSA-N 357.309 3.383 0 1 FGAF CC1(C)O[C@H]1Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819297 MNDUMUBSRKMPEO-WMZOPIPTSA-N 356.374 3.230 0 1 FGAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccc(F)cc3)[C@H]1C2 72177382 QPOVAXRQPIMWFQ-KBXCAEBGSA-N 371.437 3.020 0 1 FGAF C[C@H](C(=O)OC[C@@H](C)O[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 40976571 WGTJLXQITFRCTR-KGLIPLIRSA-N 357.362 3.161 0 1 FGAF CCCCc1nnn2c1[C@H]1c3cc(-c4cccnc4)ccc3CCN1C(=O)C2 199736663 UEVXBFCZOYKILK-OAQYLSRUSA-N 373.460 3.170 0 3 FGAF O[C@@H](c1nnc(N2CCCCC2)s1)c1c(F)c(F)c(F)c(F)c1F 82079046 BXEOQTNEYZOKKA-GFCCVEGCSA-N 365.327 3.306 0 1 FGAF CCOc1ccc(CC(=O)Oc2ccccc2CC(=O)OC)cc1OCC 45496035 XITUDZMTPHSTTJ-UHFFFAOYSA-N 372.417 3.348 0 1 FGAF CC(=O)Nc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 220115154 BUPDESFAHPMPFW-UHFFFAOYSA-N 356.385 3.358 0 1 FGAF Cc1ccccc1-c1nc(C(=O)NCC(=O)NCCC2=CCCCC2)co1 82071957 ZATABSOTFZKOAP-UHFFFAOYSA-N 367.449 3.387 0 1 FGAF COc1ccc2c(OCCn3c(=O)oc4ccc(F)cc43)ccnc2c1 653737699 BUGLSEVMSZKHBW-UHFFFAOYSA-N 354.337 3.369 0 1 FGAF CCCOc1cc2nc(-c3nn(C)c(O)c3F)[nH]c2cc1Br 587155857 NNXXJMNULLTJHE-UHFFFAOYSA-N 369.194 3.359 0 1 FGAF CC[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579281 DAJAZWGZGSQUKA-FXAWDEMLSA-N 350.374 3.393 0 1 FGAF CC(C)[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583219 USDAIDMLPSTXEZ-UZLBHIALSA-N 365.389 3.034 0 1 FGAF COC(=O)C(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587108315 ZEPTYHUXRGOHRI-OAHLLOKOSA-N 357.365 3.218 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC1C(=O)CC(C)(C)CC1=O)[C@@H](C2)C3=O 587447152 MFWMFVRYVVZBCZ-LHSJRXKWSA-N 356.418 3.166 0 1 FGAF N[C@@H](N=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164998 HWAIEDXHFZWDQN-SFHVURJKSA-N 350.357 3.338 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2N)N1 587743611 DWCZRWWNGKMOHE-JDNHERCYSA-N 350.235 3.363 0 1 FGAF CC1=C(c2ccc3nc(CCc4ccccc4F)[nH]c3c2)NNC(=O)C1 587150466 RCRMYXTWZYOZHA-UHFFFAOYSA-N 350.397 3.243 0 1 FGAF C=CN1CC[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587771167 VYCQBXZCXQODBO-MOCULFSLSA-N 367.262 3.330 0 1 FGAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587933519 ZDCVGKPOCUCFPK-UGSOOPFHSA-N 358.419 3.263 0 1 FGAF Cc1c(O)ccc2c1[C@](C)(c1ccc(-n3cccc3)cc1)N[C@H](C(=O)O)C2 963526275 OGUIXXVSYGWFSC-AVRDEDQJSA-N 362.429 3.354 0 1 FGAF COC(=O)[C@@H]1C(C)(C)CC(N)=C[C@@]12NCCc1c(Cl)cc(Cl)cc12 963104089 HBYCEZSDAWBZHL-QAPCUYQASA-N 369.292 3.396 0 1 FGAF COc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F 1772638570 URYCVJWDQPAEFD-UHFFFAOYSA-N 355.369 3.163 0 1 FGAF COc1ccc(OC)c(-c2cncc([C@H](CC(=O)O)c3nnc(C)o3)c2)c1 1772626445 YBUKYOZLSGRRLO-INIZCTEOSA-N 369.377 3.064 0 1 FGAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2cccnc2)cc1 12365480 GNVJGTQUVDNNAH-UHFFFAOYSA-N 366.440 3.474 0 1 FGAF Cc1cc(C)c(CNc2nc(-c3ccccc3F)[nH]c3ncnc2-3)c(O)n1 1857554010 RURMEFUFGVNVQP-UHFFFAOYSA-N 364.384 3.440 0 1 FGAF C[C@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(F)cc1 1857562655 QUTLAUQVIVLTRV-ZDUSSCGKSA-N 351.491 3.491 0 1 FGAF CC(=O)O[C@H]1C2=C[C@@H](C)C(=O)[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@]3(O)[C@H]2C[C@H]1C)C4(C)C 1857754215 WYBLXPYDAGUQLM-VGFKADMASA-N 360.494 3.379 0 1 FGAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@@H]1c1c[nH]c2ccccc12 2469373 ZFVNFLGVJXINGQ-PMACEKPBSA-N 359.429 3.357 0 1 FGAF Cc1ccccc1Nc1nc(N)nc(COC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n1 3411137 DQSLDMQPJAEKCK-QLFBSQMISA-N 367.453 3.375 0 1 FGAF Cc1nc2c3ccccc3nc(N3CCN(c4ccccc4F)CC3)n2n1 6803031 QTHWPWPJRDKBGM-UHFFFAOYSA-N 362.412 3.052 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N4C[C@@H](C)C[C@H](C)C4)ncc-3c2c1 102342833 RUQLHDSPBUUMJE-KBPBESRZSA-N 352.438 3.055 0 1 FGAF OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(F)c(Br)c2)CCC1 100914061 YTZXXQZEGAADRV-CYBMUJFWSA-N 364.178 3.246 0 1 FGAF Cc1ccccc1Nc1nc(N)nc(COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)n1 100607309 DQSLDMQPJAEKCK-RBSFLKMASA-N 367.453 3.375 0 1 FGAF CC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12 115624162 DOIMRQUQLHEORQ-UHFFFAOYSA-N 364.449 3.187 0 1 FGAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(F)c2)N2CCNCC2)cc1 22939803 XKUBARQOTAUWNS-OAQYLSRUSA-N 369.484 3.302 0 1 FGAF COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1 26397636 GQJCXKMJIUKWSM-UHFFFAOYSA-N 373.380 3.499 0 1 FGAF C[C@@H]1CN2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@@]1(C)[C@H]1CC(=O)[C@H]3CCC[C@H]3[C@H]12 2356439640 XWNUAACCLIULKG-DIZPEOMTSA-N 357.494 3.186 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@@H]12 2356469695 XXZJUUFVWAGZEG-HMPASCQOSA-N 366.461 3.487 0 1 FGAF COc1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc(C)c3ncccc3c2)cn1 115597910 PVMISSCTIBJWGS-BSPBKQIJSA-N 360.417 3.201 0 1 FGAF CC(=O)Oc1cccc2c1C(OC(C)=O)c1c(cccc1OC(C)=O)C2 27203055 GLQBFFQFXMNLLL-UHFFFAOYSA-N 354.358 3.094 0 1 FGAF Nc1ccccc1NC(=O)CCCCNC(=O)c1ccc2ncsc2c1 117585642 HXSBLJGXJSLVSL-UHFFFAOYSA-N 368.462 3.417 0 1 FGAF NCCC(=O)NCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 66078139 CZZLLTYFLXPGKO-UHFFFAOYSA-N 350.447 3.181 0 1 FGAF COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2)OC(C)=O)cc1OC 35982942 XULKPSWLPHAMGU-RGFVMQALSA-N 369.417 3.138 0 1 FGAF CN1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 36289025 KJANCOXIPDDHPE-UHFFFAOYSA-N 352.394 3.016 0 1 FGAF COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82132489 ZZXDWMDACGYGKB-UHFFFAOYSA-N 368.481 3.146 0 1 FGAF Cc1cc(C)c(CNC(=O)c2cn([C@@H](C)c3ccccc3)nc2C)c(O)n1 148513521 GGEMCYUQLVBIKT-INIZCTEOSA-N 364.449 3.448 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)O)[C@@H](C)[C@@H]3[C@@H](O)C[C@@H]12 238778467 SRURFZLFGGVPRV-DQGXKCFTSA-N 364.482 3.410 0 1 FGAF COC(=O)[C@@]1(O)C=CC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C 238779991 WWNYZTBMVRRLJM-PACMGQIYSA-N 374.433 3.170 0 1 FGAF CCCN1C(=O)N(c2ccc(CC)cc2)C(=O)[C@]12OC(=O)c1ccccc12 653851553 NBRQZHMZQCICPS-NRFANRHFSA-N 364.401 3.451 0 1 FGAF CN1CCOc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587518330 GDHMYUMARIZPBT-GOSISDBHSA-N 350.418 3.496 0 1 FGAF COC(=O)c1cccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c12 587217733 YRCLZOJOMBHRRL-QGZVFWFLSA-N 351.406 3.078 0 1 FGAF CCOC(=O)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594308 GHKBCINUJCSWCE-OXJNMPFZSA-N 354.358 3.066 0 1 FGAF COc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 587161694 PLFYXMOWLTUUPB-UHFFFAOYSA-N 358.764 3.066 0 1 FGAF COc1cncc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587003334 TVPCJVQQUCYUDX-UHFFFAOYSA-N 372.226 3.321 0 1 FGAF CC(=O)N[C@@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1 586985289 MRNIPJPQNGAIOC-HNNXBMFYSA-N 374.238 3.451 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@]1(c4cccc(F)c4)CCOC1)[C@@H](C2)C3=O 587428326 MFLGAVMWAAJLRZ-ORYQWCPZSA-N 354.377 3.309 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587838590 OHCQFXJNGOVZGR-CDFSRNEHSA-N 368.246 3.408 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587162456 CNBCKJDNBWFXEB-QGZVFWFLSA-N 361.442 3.147 0 1 FGAF COC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 587092326 DGKUZBNKLQRSQL-UHFFFAOYSA-N 368.340 3.461 0 1 FGAF CC[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579287 DAJAZWGZGSQUKA-YLJYHZDGSA-N 350.374 3.393 0 1 FGAF COC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587809649 SKHAHOUVVKWESC-PSLIRLAXSA-N 356.235 3.291 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c[nH]1 587255140 ZHWVPJJVLFMSFK-UHFFFAOYSA-N 367.315 3.421 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)c1ccccc1-c1c(O)cccc12 962910465 XVDBLRGYPZHIKL-AVRDEDQJSA-N 361.372 3.403 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O 13836413 XPMFBRQXMYFOPC-JGEMWAQNSA-N 372.527 3.181 0 1 FGAF Cc1nc2c(o1)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 169322310 RGBDJIINQPHOOF-AWEZNQCLSA-N 370.424 3.462 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 3830711 XEYBRNLFEZDVAW-AQVUVVIDSA-N 352.471 3.251 0 1 FGAF in-vitro COc1cc(N[C@H]2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1 4056926 YNSWZQUPNZFEFF-LJQANCHMSA-N 365.389 3.459 0 3 FGAF COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)C1CC1 53242780 TYWAWHCGKQEYTN-UHFFFAOYSA-N 351.358 3.258 0 1 FGAF CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc[nH]c3)c2)nc1N 103267316 NZKATIUTLYOQFE-UHFFFAOYSA-N 367.409 3.496 0 1 FGAF O=C(Cn1cccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20377274 HBGBJTREEXVJTN-UHFFFAOYSA-N 359.473 3.422 0 3 FGAF CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 29050067 NXTWTUDFHBDVOS-UHFFFAOYSA-N 368.934 3.221 0 1 FGAF Brc1ccccc1-c1nc(CNCCCn2ccnc2)co1 72182865 KFVVKAZXORVIOH-UHFFFAOYSA-N 361.243 3.481 0 1 FGAF COc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2)c1 45498496 DBPAJDMWHCRIQQ-IAGOWNOFSA-N 354.450 3.248 0 1 FGAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC 43122941 HKYLFTIWFQQKFJ-UHFFFAOYSA-N 363.464 3.298 0 1 FGAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12 88345610 XKHASMAALGBCSO-GFCCVEGCSA-N 360.421 3.484 0 1 FGAF COc1cccc([C@@]2(C34CC5CC(CC(C5)C3)C4)NC(=N)N(C)C2=O)c1 1911586056 NTEXGYXPUMXCQI-GEYGSZSDSA-N 353.466 3.103 0 1 FGAF CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12 96908242 RIKFEZIZTBXQAZ-UHFFFAOYSA-N 358.486 3.303 0 1 FGAF O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccccc2)cc1 473155163 POYGDFGWFNUJTP-UHFFFAOYSA-O 356.449 3.476 0 1 FGAF CCCNCc1ccc(-c2[nH]c3cc(F)cc4c(O)n[nH]c(=O)c2c34)cc1 473081291 BWBCZUIOZISGAA-UHFFFAOYSA-N 366.396 3.416 0 1 FGAF Cn1cc(-c2ncc(-c3nc4c(Br)ccnc4[nH]3)s2)cn1 587021343 IQTXYOXMOGODIS-UHFFFAOYSA-N 361.228 3.244 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587806002 IHLHPXOFRPTRQH-PUTJDCORSA-N 356.235 3.291 0 1 FGAF CC(C)(SCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)O 586960392 VDXQYKLDFKZGIL-UHFFFAOYSA-N 356.451 3.491 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3c(C)cc(C)cc31)O2 587406938 FXIDRPDECVPNEP-NRFANRHFSA-N 365.385 3.416 0 1 FGAF Cc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771668 CHGQPRDBVWOGLI-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587039554 GFJAZVRAUNROIL-STQMWFEESA-N 363.443 3.269 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(OC)cc21 587478318 APHWFSRVUXTSMC-FQEVSTJZSA-N 353.374 3.166 0 1 FGAF Fc1cnc(Br)c2[nH]c(Cc3csc4nccn34)nc12 587041154 WEXNRKBCBURPNJ-UHFFFAOYSA-N 352.192 3.160 0 1 FGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587614608 DDOVJFQUVWBTCQ-APWZRJJASA-N 366.325 3.475 0 1 FGAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(C1CCNCC1)[C@@H](C2)C3=O 587429959 YCSVVRAMHDSLSP-AVRDEDQJSA-N 367.420 3.477 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncncc32)N1 587777277 GLWOJSZAZFQKDZ-QGHHPUGFSA-N 362.246 3.492 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(-n2cncn2)c(F)c1 963271925 XOBCQXSJNUNHDH-GOSISDBHSA-N 358.804 3.304 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1ccc(C(=O)O)c(O)c1)N(C)[C@@H](C)C2 962629488 PDVFCEIJNPZCHG-VOJFVSQTSA-N 357.406 3.073 0 1 FGAF COc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 5888905 IJXHTJRYJGZEDE-UHFFFAOYSA-N 364.449 3.252 0 1 FGAF Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12 13559992 UWXAQZGCSSYTJL-UHFFFAOYSA-N 356.389 3.257 0 1 FGAF NCCCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1 13589327 NFFXNGSHPFAGMJ-MRXNPFEDSA-N 359.451 3.067 0 1 FGAF O=C(O)COc1c(C(=O)O)sc(-c2cccc(O)c2)c1Br 14955103 ISKXZFZNQIPKOR-UHFFFAOYSA-N 373.180 3.045 0 1 FGAF COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCc2cccs2)cc1 1379456 ZWCSPPCKWQQDNY-INIZCTEOSA-N 359.451 3.069 0 3 FGAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccco3)cc12 2459446 SYMZCPGNEGZIEV-UHFFFAOYSA-N 350.422 3.140 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)C[C@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 102985648 QVECYZNLDSHKCT-FVTFTPSCSA-N 366.461 3.429 0 1 FGAF C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1 66103361 PFXXPRYKFJNBAN-QMMMGPOBSA-N 358.356 3.062 0 1 FGAF COc1cc(C(=O)c2c[nH]c(Nc3ccccc3)n2)cc(OC)c1OC 114459841 UETFGCXIYLVGSP-UHFFFAOYSA-N 353.378 3.410 0 1 FGAF CCNc1nc2cc(Cl)c(CC(=O)CCC(=O)O)cc2nc1NCC 115764869 XUOCVWWPNCQCCQ-UHFFFAOYSA-N 364.833 3.123 0 1 FGAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@H]3C1 2356721332 AXKLAIMNMYFDSU-MJSKOZDYSA-N 359.510 3.406 0 1 FGAF C[C@@H]1O[C@@H](OCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219955713 DEQPIGLSNWHDFR-VATKAKJBSA-N 358.475 3.011 0 1 FGAF in-vitro CCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 44608717 MZYZWZXTHYCVHQ-BWEMOPLBSA-N 354.487 3.043 0 1 FGAF Cc1ncc(-c2nc(Nc3ccc(C(N)=O)c(F)c3)ncc2F)n1C(C)C 40848593 WIDBHTRKXQCNBH-UHFFFAOYSA-N 372.379 3.350 0 1 FGAF CCN(C)CCc1cccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40860083 YHTDPEGAUNUSLR-OAQYLSRUSA-N 369.461 3.384 0 1 FGAF COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 25206414 MAUKZDZPGRICGP-RHSMWYFYSA-N 373.493 3.376 0 1 FGAF biogenic CN1CCN(CCCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 95556215 MJMOQWXPFHTRIE-UHFFFAOYSA-N 369.296 3.195 0 1 FGAF CC(=O)[C@@H](C)[C@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 238757660 NYJDPARBGPGZBE-WYRIXSBYSA-N 370.357 3.267 0 1 FGAF CCN1CC[C@H](OC(=O)c2[nH]cc(C(=O)O[C@H](C)C(C)(C)C)c2C)C1 253635251 DICFAXZCXKVYRH-KGLIPLIRSA-N 350.459 3.166 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253674249 RWBGTUPTUTZUOU-BZVMJTILSA-N 369.505 3.452 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2C(=O)O)N1 587788989 AVWCLOACBPSGKY-WJWGPLDTSA-N 353.191 3.238 0 1 FGAF Cc1cc(Br)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 586966835 OZICCRVGLQYKLQ-UHFFFAOYSA-N 367.228 3.127 0 1 FGAF Cc1cccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587203459 QJXQIJRNNSJKSE-HNNXBMFYSA-N 353.378 3.314 0 1 FGAF O=C(NCCc1nc2cc3c(cc2[nH]1)OCCCO3)OCc1ccccc1 587228097 ILQRSGGDSQISBG-UHFFFAOYSA-N 367.405 3.193 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2O)N1 587769551 GRGNZPODZGUUBV-JDNHERCYSA-N 351.219 3.487 0 1 FGAF CC1=C(c2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587060029 YPWADCAWAXKHFY-GOSISDBHSA-N 368.824 3.054 0 1 FGAF COCn1ncc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763678 LEGSMURGUNBZJF-MEBBXXQBSA-N 368.250 3.321 0 1 FGAF Cc1nc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2n1 587587977 QVOPARZWFNDWOY-WIYYLYMNSA-N 373.368 3.446 0 1 FGAF N=C(N)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081781 FYSNVOIIQUQDJF-UHFFFAOYSA-N 366.812 3.400 0 1 FGAF Cc1cccc2c1[C@@H](c1cnon1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862837 HVYPXTNPUUZCSP-CXAGYDPISA-N 373.409 3.104 0 1 FGAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccc(Cl)cc1)N1CCCC[C@@H]13 1772649076 QPIDEIFSMYZPIP-ODZKNYGOSA-N 357.837 3.162 0 1 FGAF CC(=O)CC(=O)c1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1O 5625994 VLROBEDMGNGGRA-UHFFFAOYSA-N 355.419 3.480 0 1 FGAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1 13860119 HCYPTJHXXAJQQV-MRXNPFEDSA-N 369.896 3.440 0 1 FGAF CO[C@@H]1CC[C@@H]2c3c(ccc(O)c31)[C@]1(O)c3cccc(O)c3C(=O)C[C@@H]21 14954397 KILVFQPOBUNVMF-PSCBJEEKSA-N 352.386 3.115 0 1 FGAF biogenic CC1(C)Cc2cc(CNC(=O)[C@@H]3CCN(c4ccccc4)C3=O)ccc2O1 14964717 LAWDJJHCNMOVTH-SFHVURJKSA-N 364.445 3.069 0 1 FGAF CCCCC[C@H]1[C@H](/C=C/[C@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 169622194 MZYZWZXTHYCVHQ-FCINMJCXSA-N 354.487 3.043 0 1 FGAF Nc1ncc(-c2ccccc2)cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 1857576810 MMIVVNBNKWUIOY-UHFFFAOYSA-N 373.416 3.327 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2ccsc2)C[C@@]1(O)C(F)(F)F 1857638486 LQNCTUDMUUBOKH-OAHLLOKOSA-N 354.353 3.178 0 1 FGAF C[C@@H]1C(=O)[C@@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@H]1O[C@H]3C[C@@H]24 2356444107 KMPKDIXKHRSLMM-QYCYJFHWSA-N 357.494 3.201 0 1 FGAF C[C@]12C[C@H](C(=O)O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 2356413853 LDWIWYPUKHSEMK-SAGBRIMDSA-N 350.499 3.452 0 1 FGAF C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCCc4ccncc4)cn1c23 3827811 BWHOPNCJCIKBRL-CYBMUJFWSA-N 365.408 3.015 0 1 FGAF Cc1ccc(N2C[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)CC2=O)cc1 6823023 FKGHSDHIEDDXRQ-CQSZACIVSA-N 363.373 3.294 0 1 FGAF Cc1c(O)ccc2cc(-n3cc(-c4ccc(F)cc4F)nn3)c(=O)oc12 53243074 IDGPQHXQMAXDML-UHFFFAOYSA-N 355.300 3.333 0 1 FGAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OC(=O)c2ccco2)cc1 103347576 YYIBAMLKEKEKTB-YIQZXQSLSA-N 372.402 3.305 0 1 FGAF O=C(CCc1cnc(-c2ccc(O)cn2)s1)Nc1ccccc1C(=O)O 28863454 UCPLOJQSGKDIKF-UHFFFAOYSA-N 369.402 3.180 0 1 FGAF COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)cc1 58576317 XTBOUQGEPPSJMR-UHFFFAOYSA-N 355.394 3.028 0 1 FGAF COc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)ccc1O 117706629 YWVTUPGCVRPFAU-UHFFFAOYSA-N 366.421 3.178 0 1 FGAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)NCN2CCCC[C@@H]21)C(C)C 28265185 ZURWTJLUKIDQPW-IRLDBZIGSA-N 357.542 3.375 0 1 FGAF CC(C)N1CNc2c(Nc3ccc(F)c(Cl)c3)nc(NCCO)nc21 70719132 PAEGLIDQRWEUDR-UHFFFAOYSA-N 366.828 3.015 0 1 FGAF CC(C)CC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102442 BPZWGWWUOKMDLW-HXUWFJFHSA-N 372.900 3.410 0 1 FGAF COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21O 14713048 VNKBPGVSBWRHTG-LEWJYISDSA-N 370.401 3.329 0 1 FGAF biogenic CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(C)ccc2C)C1 36380855 ZQYOWALRLSBCIZ-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF CCS[C@@H]1[C@H](SCC)[C@@H](CO)O[C@H]1n1cc(-c2ccccc2)nn1 45349545 VPFSCOMLUIOQIH-QBPKDAKJSA-N 365.524 3.078 0 1 FGAF Nc1nc(N)c2c(ccc3c2ccn3Cc2cc3c(cc2Cl)OCO3)n1 45227931 SACPEFNLBPZLHD-UHFFFAOYSA-N 367.796 3.179 0 1 FGAF COC(=O)[C@@H](N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1)C(C)C 199724472 NPOMGJUFAZEGOC-GBFBBKFMSA-N 367.489 3.459 0 3 FGAF CC(C)CNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@@H]1CCCO1 82177841 GNKFVCNSMPZUAD-INIZCTEOSA-N 367.453 3.446 0 1 FGAF O=C(c1ccncc1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199407982 PZEYCGOUNUVKIZ-XLIONFOSSA-N 371.431 3.487 0 3 FGAF COC(=O)[C@H]1CCC[C@H]2[C@H]3C(=O)O[C@@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238775253 AGTVKDDCBZAARB-OURNDOFPSA-N 374.433 3.314 0 1 FGAF COC(=O)c1cc2nc(-c3ccc(Br)o3)[nH]c2cc1OC 587006137 DDMDCQPQJYCGIL-UHFFFAOYSA-N 351.156 3.381 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424791 VDKNQLNOOPSOCL-VBKZILBWSA-N 374.339 3.481 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)c(F)cc3[nH]2)CC1 586952558 IDRGKFCDSKHFDT-UHFFFAOYSA-N 359.854 3.354 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4oc(C(=O)O)c(C)c41)[C@@H](C2)C3=O 587456672 XGSCWLABUZETCS-YUNKPMOVSA-N 354.358 3.274 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@@H]2CCCC[C@H]21 587027892 UDFHCMYLSQPHDM-IMJJTQAJSA-N 367.478 3.489 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)c(C)c1O 587871022 XDXHDGXXFKFNBW-UHFFFAOYSA-N 356.353 3.496 0 1 FGAF CCOC(=O)Cc1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968144 KLNYVKNQPMOBIA-UHFFFAOYSA-N 371.418 3.054 0 1 FGAF O=S(=O)(/C=C\c1nc2c(Br)ccnc2[nH]1)c1ccccc1 586926352 OHBQDSMYDCLECF-CLFYSBASSA-N 364.224 3.165 0 1 FGAF CCOC(=O)[C@@]1(c2cnn(CC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517515 OUUAOEZUWCVANQ-NRFANRHFSA-N 368.433 3.206 0 1 FGAF CC[C@@]1(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)CC(=O)c2ccccc2C1 587962119 VBPQYVPUSQSYPR-NRFANRHFSA-N 372.432 3.307 0 1 FGAF CCCn1cnc2cc(-c3nc4c(N)ncnc4[nH]3)cc(Br)c21 587004638 WWQMQVQFKSBPCM-UHFFFAOYSA-N 372.230 3.124 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)nc(N4CCCC4)c1)[C@@H](C2)C3=O 587429352 UKUKJUJBHALNMJ-BTYIYWSLSA-N 368.408 3.492 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069205 FVYRDDPLQHZVFD-CQSZACIVSA-N 356.857 3.203 0 1 FGAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C 587583070 TWMRAGRWDFHFBI-YLJYHZDGSA-N 350.374 3.311 0 1 FGAF O=C1Cc2c3c(n(-c4ccc(-c5cccc(F)c5)c(F)c4)c2O1)OC(=O)C3 587944573 FRPYTFQQJRVYKU-UHFFFAOYSA-N 367.307 3.346 0 1 FGAF COc1ccc(CCCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(OC)c1 587929264 ULOHEMBMEBYGPQ-UHFFFAOYSA-N 374.462 3.159 0 1 FGAF CC(C)(O)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963216420 BRENETWAUHAATC-WOJBJXKFSA-N 362.429 3.151 0 1 FGAF Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)NCCc2ccc(F)c(C)c21 962373745 IYLSJVRECMPFCV-FQEVSTJZSA-N 359.466 3.399 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@]31CCCc2occ(C(=O)O)c21 963033935 KRLPMBIHLQOQRD-OAQYLSRUSA-N 364.401 3.260 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(C=CN(Cc3ccccc3)C=C2)N1 962899028 NXBIULMWKXWQMA-SFHVURJKSA-N 350.393 3.163 0 1 FGAF COC1=C(OC)[C@H]2C=[N+]3CCc4cc(OC)c(OC)cc4C3=C[C@H]2C=C1 100037190 XXPJAVJXRGUFCB-CJNGLKHVSA-N 354.426 3.004 0 1 FGAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2Cc1ccncc1 1772618662 QYQQAFASPRPEFS-UHFFFAOYSA-N 352.785 3.298 0 1 FGAF Oc1ccc2c(c1)O[C@H](CNCCCOc1ccc3ocnc3c1)CC2 13775930 DAQQNLJMVSQRSY-KRWDZBQOSA-N 354.406 3.286 0 1 FGAF COCC(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 3955699 JQCWKTUATJMKIM-UHFFFAOYSA-N 350.462 3.429 0 1 FGAF CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3ccc(C)cc23)c(O)c1 103285965 PTLVYYREOOMORF-UHFFFAOYSA-N 370.357 3.268 0 1 FGAF O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F 28230811 QDLKTLGJPRECAX-WCNSLERVSA-N 373.421 3.032 0 1 FGAF CN1CCc2cn(c3ccccc23)[C@@]23CCN(C)[C@H]2N(C1)c1ccccc13 2356737193 CFBZKRHPISLXCY-XZOQPEGZSA-N 358.489 3.312 0 1 FGAF O=c1cnn(-c2cc(Cl)c(Sc3ccccc3)c(Cl)c2)c(=O)[nH]1 28763096 PLSANQDRBBTHNI-UHFFFAOYSA-N 366.229 3.379 0 1 FGAF Cc1c(COc2cncc(OCCC(C)(C)O)c2)[nH]c2ccccc2c1=O 73160516 VRWVZRQAQAWZFV-UHFFFAOYSA-N 368.433 3.350 0 1 FGAF CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2C1 40974778 PLAXUZDNDUJERZ-UHFFFAOYSA-N 371.506 3.351 0 1 FGAF CC(=O)O[C@H]1CC[C@@](C)(C(=O)O)[C@H]2CC[C@]34C[C@H](O)[C@@H](CC[C@H]3[C@]12C)C4 1911579862 TWTQYLJQYVALBY-YAZPTWOLSA-N 364.482 3.386 0 1 FGAF CC(C)CS(=O)(=O)c1nc(C(=O)N2CCCC2(C)C)ccc1C1CC1 146223184 BXZTWBCEYBQIKM-UHFFFAOYSA-N 364.511 3.403 0 1 FGAF CC(=O)Oc1cc(C)c(OC[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 196156617 UICXIWCGDWFHDK-AWEZNQCLSA-N 367.401 3.292 0 1 FGAF in-vitro O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1Cc1ccncc1 98084141 LDNPUMDNFWHJDG-UJKMTWAASA-N 366.420 3.474 0 1 FGAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1O[C@@H](C)c1ccccc1 473154901 MJKJXGXGLOUICM-NSHDSACASA-N 359.817 3.036 0 1 FGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(Br)c2[nH]1 587094358 QEXQFRWPOSXYST-LURJTMIESA-N 350.138 3.455 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Oc1ccccc12 587841036 LOJWODVIACPALH-XYZCENFISA-N 362.198 3.285 0 1 FGAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587591622 WLPRFNBSSBHFTB-LPHOPBHVSA-N 365.341 3.210 0 1 FGAF CCOC(=O)c1cc(C)n(-c2cc(C(=O)O)ncc2Br)c1C 587939555 JMOMCSQZESBQAH-UHFFFAOYSA-N 367.199 3.127 0 1 FGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3ccccc3cc2[nH]1 586930578 SLIZDADINMRWPX-UHFFFAOYSA-N 367.430 3.251 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cnc(Cl)[nH]c-2n1)C(F)(F)F 587091107 BLWJJTAPXFFBEP-AWEZNQCLSA-N 371.750 3.121 0 1 FGAF O=C1C[C@@]2(CS(=O)(=O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587530993 HTOSKMYCZJRLAF-FQEVSTJZSA-N 370.426 3.148 0 1 FGAF CC(=O)N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(C)cc1 587205849 GLZJVVSMPJFPRU-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587934283 IPLUPUFKQDEYMS-UHFFFAOYSA-N 358.405 3.120 0 1 FGAF Cc1c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903618 LVMREYRMZBONAK-QGZVFWFLSA-N 366.465 3.253 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587076578 MXAIMMYOHCVRME-ZDUSSCGKSA-N 356.769 3.015 0 1 FGAF COc1cc2c(cc1O)[C@@]1(CC2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963633352 HVRDIDKUYZGECH-XUSGNXJCSA-N 355.434 3.142 0 1 FGAF COC(=O)c1ccc([C@@]2(CF)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614668 YHASXFHSHZGZIN-YEJXKQKISA-N 373.424 3.238 0 1 FGAF COC(=O)c1cc([C@]2(C3CCCCC3)NCCc3ccc(O)cc32)c[nH]1 963331267 YDNSUUOZEOAAKU-NRFANRHFSA-N 354.450 3.477 0 1 FGAF O=C(O)c1noc(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)n1 1772630717 NBVZHMBUULOJTD-UHFFFAOYSA-N 362.345 3.092 0 1 FGAF Cc1cn2cc(-c3ccc(NC(=O)C4CCN(C)CC4)cc3)nc2c(C)n1 1772647278 VHHKKXQLOADQHQ-UHFFFAOYSA-N 363.465 3.293 0 1 FGAF CCn1ccnc1CN1CCC[C@@H](C(=O)c2ccc(OC)cc2OC)C1 13595205 ONLSECWSWYMFGV-OAHLLOKOSA-N 357.454 3.015 0 3 FGAF COc1ccc(CCNCC[C@@H]2CN(C)c3ccccc3O2)cc1OC 13780746 JJMFEDURPBMSOI-QGZVFWFLSA-N 356.466 3.123 0 1 FGAF CCCCc1c(C)nc2nc(NCc3ccc(OC)c(OC)c3)nn2c1O 15668935 FLYNZXOWKZBGGB-UHFFFAOYSA-N 371.441 3.110 0 1 FGAF Cc1cccc(-c2nn3c(=O)cc(CCc4c(C)n[nH]c4C)[nH]c3c2C)c1 19235272 LUZVVSUHHPQQKZ-UHFFFAOYSA-N 361.449 3.432 0 1 FGAF CC(C)O[C@H]1[C@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169292851 RPQABHLKBRUCIH-PXAZEXFGSA-N 366.849 3.089 0 1 FGAF Cc1cc2onc([C@H]3CCCN3S(=O)(=O)c3cnoc3C)c2cc1C 206032180 YTUUCPUGSGICMB-CQSZACIVSA-N 361.423 3.267 0 3 FGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(N)=O)cc21 1857598547 VIMGAXNDVIJXTA-UHFFFAOYSA-N 371.440 3.439 0 1 FGAF COc1cc(C(=O)[C@H](C)O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356340094 HGNCUGBLVCHIIJ-FDMGOTLNSA-N 356.374 3.225 0 1 FGAF COc1cc([C@@H]2OC[C@]3(O)[C@H](c4ccc(C)c(C)c4)OC[C@H]23)ccc1O 2356423625 IFLMVBKWPMANPM-MBPVOVBZSA-N 356.418 3.208 0 1 FGAF O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ncccn1)CC2 4238150 DAYTWLNFZYLLIE-UHFFFAOYSA-N 352.438 3.358 0 1 FGAF CCCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215060 WQUALCCVUVMDML-UKRRQHHQSA-N 368.865 3.385 0 1 FGAF COc1cc2oc(=O)cc(-c3ccc4c(c3)OCO4)c2c(OC)c1OC 27630946 GHIMAKBDVQPOEV-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363773 JPHCSQTXZXZBMR-RUYXUALKSA-N 354.425 3.499 0 1 FGAF CC(C)C[C@@H]1NC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 29127049 IZDXXXQMBXLHDT-ROUUACIJSA-N 356.466 3.403 0 1 FGAF COc1cccc(CC(=O)Nc2nc(-c3ccnc(N(C)C)c3)cs2)c1 113831586 RDGXFPSQNSIWHF-UHFFFAOYSA-N 368.462 3.461 0 1 FGAF CCCCOc1cc2c(cc1OC)CCN1CC[C@@]3(CNC(=O)O3)C[C@@H]21 29225377 BPOSOHGWLVLCEA-JXFKEZNVSA-N 360.454 3.046 0 1 FGAF CCN(CC)C[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356746274 JEHHSBMABMVSQZ-HBFSDRIKSA-N 362.445 3.274 0 1 FGAF C[C@@H](c1ccc(-c2ccncc2Cl)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 87668999 XWKBMXDFQAXMDP-QITLCBANSA-N 361.848 3.403 0 1 FGAF C/C(=C\Cc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O)CO 95553265 STGFGEJCRVJFFB-BIIKFXOESA-N 354.358 3.058 0 1 FGAF COC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595778 STAWYSGLIMOGNO-UZLBHIALSA-N 356.374 3.312 0 1 FGAF COc1cc(-c2nc3ccc(Br)nc3[nH]2)cc(OC)c1O 587784497 IAESNUVBMWIEIM-UHFFFAOYSA-N 350.172 3.110 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CN(C3)C1 587791430 MBUAGLFVDIGZHU-OASQACQPSA-N 365.290 3.289 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CC2)N1 587754298 JLBXTWDJGSKXQE-HZMBPMFUSA-N 369.278 3.470 0 1 FGAF COC(=O)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595782 SUFVILSYTKQNOJ-WMHILYHISA-N 368.385 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4cc(C)ccc41)[C@@H](C2)C3=O 587454341 SSBQSAGRYYQEDI-QKKBWIMNSA-N 364.353 3.007 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796457 KHTDNVOBKGOILX-ABKXIKBNSA-N 356.235 3.291 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccn(C)n2)n1 587871903 DZITZUUPYIDPGQ-UHFFFAOYSA-N 364.384 3.268 0 1 FGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)c(F)cc3[nH]2)cc1 586926398 PCSNCFAQJJKVGF-UHFFFAOYSA-N 364.373 3.060 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cnccn1)[C@@H](C2)C3=O 587430089 ZTUSEJSHXMFBTE-HRAATJIYSA-N 362.360 3.316 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-n3cnnc3)c1C)CC2=O 587472064 XGQYHYMKZSYQFT-LJQANCHMSA-N 366.421 3.372 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)NC21c2ncccc2-c2cccnc21 963606470 HTVOVABBBLMVIZ-ZDUSSCGKSA-N 359.429 3.300 0 1 FGAF CCCc1ccc2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1 12595885 PMJUVKXYDGJRQL-UHFFFAOYSA-N 364.449 3.446 0 3 FGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccon1 13559116 YDGSVSJAPWNYLT-ZDUSSCGKSA-N 367.446 3.148 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3c(O)cc4occc4c3O[C@H]1CO2 14585544 WEMVDFMZCALBHH-IRXDYDNUSA-N 368.341 3.276 0 1 FGAF biogenic,in-vitro CCCCC[C@@H](O)/C=C/C=C/C=C/C=C/[C@H](O)[C@@H](O)CCCC(=O)O 14781402 IXAQOQZEOGMIQS-LPEMACAYSA-N 352.471 3.129 0 1 FGAF CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)C[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 169363538 SLKDSLAWMQSCJY-DEDQRHPVSA-N 369.527 3.134 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@@H]1[C@H](CCCC(=O)O)[C@@H](O)C[C@H]1O 169622143 ZOCFIYOANZRNDX-MSKXHIKFSA-N 354.487 3.043 0 1 FGAF CC1=CCCC2=C[C@@](c3cc(O)ccc3O)(OCC(CO)=CCC1)OC2=O 1857610767 RCVCSWARPWLSOP-OAQYLSRUSA-N 372.417 3.189 0 1 FGAF COc1ccc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2c1 1857646103 DWSIYHMUFRFFCM-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF O=C(O)C[C@](O)(CSCCCCCCc1cccc(Cl)c1)C(=O)O 13758126 VNHFSRKVNYVZQK-KRWDZBQOSA-N 374.886 3.467 0 1 FGAF CCO[C@H]1CCC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N1C 103217814 WTMPDBNGLLWXDD-HNNXBMFYSA-N 354.838 3.091 0 1 FGAF CCN(CC)C(=S)SCC(=O)CSC(=S)N(CC)CC 103293891 WXQZEMCYTUBBNH-UHFFFAOYSA-N 352.616 3.275 0 1 FGAF COC(=O)c1sc2cc(Nc3cc(OC)cc(OC)c3)cnc2c1N 66258718 MEDUWXYHEKEVIL-UHFFFAOYSA-N 359.407 3.426 0 1 FGAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C(=O)O)C[C@]54C(=O)[C@@]12CC[C@@]34C 2356647787 VZUWYTVCXIXPRR-BZOCQARVSA-N 355.478 3.267 0 1 FGAF O=C(O)c1ccc2nc(-n3[nH]c4c(c3=O)-c3ccccc3CC4)sc2c1 73219482 DZWKCZKVSHXYSR-UHFFFAOYSA-N 363.398 3.239 0 1 FGAF CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3ccc(CO)o3)C2)ncn1 73157721 OJSZEXPISQGVRD-HNNXBMFYSA-N 373.501 3.096 0 1 FGAF COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)ccc1O 14643950 RTHZXRUUOCCNTA-CYBMUJFWSA-N 360.362 3.133 0 1 FGAF biogenic Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N2CCc3ccccc3C2)c1 36387753 OEBKEJMAHYLKDT-UHFFFAOYSA-N 360.417 3.169 0 3 FGAF CN1CCC=C([C@@H]2SCC(=O)N2c2ccc(Br)cc2)C1 45283800 BGLVAUILMJOEOE-HNNXBMFYSA-N 353.285 3.117 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(F)c3)sc12 136872569 YTDCGNUVVIXLSO-ZDUSSCGKSA-N 370.453 3.365 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](COC)([C@@H](CC)C(=O)OCC)CC2=O 587485319 VHSFFUUNVIDVIT-YWZLYKJASA-N 364.438 3.284 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3=C2COCO3)N1 587838783 PDONWICCWUIJAJ-ABKXIKBNSA-N 354.219 3.370 0 1 FGAF COC(=O)C(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595825 UCFOHGQAXVMIMG-QRWLVFNGSA-N 356.374 3.312 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)cc(Cl)c1C3 587365340 CIPIQHILUCFECG-UHFFFAOYSA-N 364.586 3.423 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)OC(C)(C)C 587871035 XTYRCTSRCJUWLO-UHFFFAOYSA-N 363.389 3.253 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncncc12 587585951 IZFFAUAOECWLAP-GHTZIAJQSA-N 360.369 3.376 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1N1CCOC1=O)[C@@H](C2)C3=O 587441841 HRSKZWPEYKCUDC-BTYIYWSLSA-N 365.385 3.315 0 1 FGAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 587014770 QFHTWHHZZOTHCU-UHFFFAOYSA-N 358.814 3.223 0 1 FGAF Cc1nc2ccccn2c1-c1nnc(SCC(=O)c2ccccc2)n1C 957856792 CQWRBYYYSFCAMC-UHFFFAOYSA-N 363.446 3.413 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)C(=O)OCC)C(F)F 963244617 WXHHWFPZNQMLCW-DJJJIMSYSA-N 353.409 3.326 0 1 FGAF CC(C)(C)C(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957728 CMOPOQUVHRRJTQ-APPDUMDISA-N 359.800 3.438 0 1 FGAF O=C(O)CN1C(=O)/C(=C/c2ccccc2Br)Oc2ccccc21 3029678 RHRKXPKPLUSQAS-DHDCSXOGSA-N 374.190 3.300 0 3 FGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3nc(C)ccc3F)C2)cc1 1772589287 FBEWDEJQKIEQBT-CRAIPNDOSA-N 371.456 3.426 0 1 FGAF O=c1c(-c2ccccc2)cccn1[C@H](CN1CC[C@@H](O)C1)c1ccccc1 13488442 NZNYFHPTQFALGO-IFMALSPDSA-N 360.457 3.171 0 1 FGAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)c(F)c1)C(F)(F)F 13760202 DFQCVXOIMDPCJO-MRXNPFEDSA-N 355.287 3.309 0 1 FGAF O=C(N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12)c1cccnn1 1857574217 YGOVYVCNOWLVJO-UHFFFAOYSA-N 363.808 3.202 0 1 FGAF CN(C)S(=O)(=O)c1ccc(CCCc2nnc(-c3ccccc3)o2)cc1 1857638365 ABHWOZBQKASJID-UHFFFAOYSA-N 371.462 3.162 0 1 FGAF CC(=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(C)c1)CC2=O)CO 2356442275 WDYQMCNGMVWGAA-LJQANCHMSA-N 370.401 3.299 0 1 FGAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 100107869 NBIJEXVMYQNMKR-KOUNCHBCSA-N 373.431 3.468 0 1 FGAF O=C(O)c1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117623179 DZQZQBDVSLCHJB-APWZRJJASA-N 361.401 3.206 0 1 FGAF CC(C)N1CCCC[C@H]1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 52913645 KWQABTFOSCSTPG-AWEZNQCLSA-N 369.868 3.187 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N[C@@H]1CCCc2ccccc21 103536367 MCBVSIDLOZOYKS-GOSISDBHSA-N 372.428 3.436 0 1 FGAF C[C@@]1(O)/C(=C2/C(=O)Nc3ccc(Br)cc32)Nc2ccccc21 100574606 YZBGBEQGJICHQR-XUZQSEFNSA-N 357.207 3.446 0 1 FGAF COc1cc2c(cc1OC)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)O2 2356503527 KPWWGZZDHZPMOH-CQSZACIVSA-N 374.389 3.436 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O 29564609 YGMHSCSRQGACKW-UZLBHIALSA-N 355.434 3.131 0 1 FGAF CC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356817427 DKVJQJWFKYGCJI-LJQANCHMSA-N 355.438 3.213 0 1 FGAF COc1cc(C[C@@H]2NCC[C@@H]3C(F)=C(O)C(O)=C[C@H]23)cc(OC)c1OC 195046590 IUCYJGARTZONQF-AVGNSLFASA-N 365.401 3.044 0 1 FGAF OC1([C@H](CN2CCNCC2)c2cccc(C(F)(F)F)c2)CCCCC1 40895306 RPFZUEYSRQOPDL-QGZVFWFLSA-N 356.432 3.389 0 1 FGAF in-vitro CN(Cc1ccc(Cl)cc1Cl)Cn1nc(-c2ccncc2)oc1=O 43014403 AVWNEALSTQKWFD-UHFFFAOYSA-N 365.220 3.295 0 1 FGAF COc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O 145957499 YTOAFICYALDHSA-UHFFFAOYSA-N 352.394 3.321 0 1 FGAF NC1=N[C@@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)c2cccc(F)c21 149268386 LEFCQXUNQUOKDG-JOCHJYFZSA-N 372.403 3.418 0 1 FGAF CSCCNC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95595669 IHETZMCQHGPOGT-UHFFFAOYSA-N 353.875 3.177 0 1 FGAF CCCn1c(=O)c2nc([C@H]([C@H]3C[C@H]3C)[C@@H]3C[C@@H]3C)[nH]c2n(CCC)c1=O 253850952 HMVSPWMLAUTJBO-AZOBVAEKSA-N 358.486 3.102 0 1 FGAF COC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005594 MFAKVLNGVJTSSH-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C1 587581403 HKFWQUFVNSIDNV-IQVOZAENSA-N 353.418 3.454 0 1 FGAF COc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1F 586978949 MGRKZJPLSBCBER-UHFFFAOYSA-N 353.195 3.335 0 1 FGAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2cccc(F)c12 587636684 CPTLBLZMJJXVTN-UHFFFAOYSA-N 366.348 3.280 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]ccc2=N)N1 587748982 ZFWJKXYAYSFRTL-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF O=C(N=c1cc[nH]cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660653 QYGHEUMFHPWLTR-UHFFFAOYSA-N 360.348 3.100 0 1 FGAF Cc1cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 586953416 NUOZJQHCMHCLPA-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)OCCCO4)[C@@H](C2)C3=O 587454021 RABINXXSIMYSNJ-LHSJRXKWSA-N 368.385 3.354 0 1 FGAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441804 MXEFDWIPBIKUEY-IERDGZPVSA-N 368.385 3.212 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)n[nH]c1C(=O)O)CC2=O 587461331 MFIRHIIPXACCRK-LLVKDONJSA-N 350.758 3.126 0 1 FGAF S=C1Sc2cccc(I)c2C2=NCCCN12 1857544001 STEYNPOIAMHHEV-UHFFFAOYSA-N 360.245 3.134 0 1 FGAF CC[C@H](COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794996 NCQJZAUUDASTMD-OAHLLOKOSA-N 354.458 3.281 0 1 FGAF CC1CCC(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CC1 169729820 WDXZOIHDJIWGSX-UHFFFAOYSA-N 362.857 3.363 0 1 FGAF N=C(N)c1ccc(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 1857613103 UKECQOMHZOYYSM-FQEVSTJZSA-N 358.445 3.440 0 1 FGAF O=C1[C@H]2CC[C@@H](C2)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857763064 BEERPRMSTNISRY-VBNZEHGJSA-N 370.399 3.445 0 1 FGAF COc1cccc(C(=O)n2c(SC)nc3cc4c(cc32)OCCO4)c1 995532 ATRAECLZDFXPKG-UHFFFAOYSA-N 356.403 3.227 0 3 FGAF CC1(C)O[C@@H]2Oc3ccc4c(c3[C@@H]2[C@@H]1O)O[C@H](c1ccccc1)CC4=O 2356398792 CHMTWRQIIYWNMW-RKOGWWSCSA-N 352.386 3.365 0 1 FGAF O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)N1CCCCCC1 4593028 UYBAREIFFQWDTQ-NBMJBFSESA-N 364.445 3.014 0 1 FGAF N[C@H]1CN(c2cnc3ccccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707339 BAAYIRHOIXMWPH-BZNIZROVSA-N 358.367 3.368 0 1 FGAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2sc(-c3ccccc3)nc2C)C1 61895327 DBFNFXUZQZZIFH-HXUWFJFHSA-N 371.506 3.497 0 3 FGAF Cc1noc(NS(=O)(=O)c2ccccc2Cl)c1Br 26473953 YKMBONBMAQCVGU-UHFFFAOYSA-N 351.609 3.200 0 1 FGAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)C[C@H]12 74377504 BKHQPSUGKWGDDU-WMZOPIPTSA-N 366.465 3.130 0 3 FGAF Nc1nn2cccnc2c1-c1cc(NCc2ccc(Cl)cc2)ncn1 45255440 DOIVHRUKMVCXKP-UHFFFAOYSA-N 351.801 3.034 0 1 FGAF CC/C(C)=C/C(=O)O[C@H]1C[C@@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]2[C@H]1O 238758195 MZQAWNWYBXNFSG-KAIUPDHESA-N 362.466 3.313 0 1 FGAF CNc1nc(Nc2ccc(C(=O)N3CCCC3)cc2OC)ncc1Cl 147703147 RQIUWZVFIDGHQW-UHFFFAOYSA-N 361.833 3.160 0 1 FGAF C[C@]1(O)CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCC1=CCOC1=O 238777418 OOKFBDCOCDSZFS-MNRMEVMPSA-N 350.455 3.308 0 1 FGAF C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)F)CC1 261168196 SIBOOLLVAJCRIK-IJLUTSLNSA-N 363.412 3.304 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncnn3c2)N1 587796102 PFNQMKDDZFDARS-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCc4cc5c(cc41)OCCO5)[C@@H](C2)C3=O 587449252 APIQDJWFUQCXJS-YCRPNKLZSA-N 350.370 3.056 0 1 FGAF c1cc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2cn1 586969860 PBCXUGRBYPPUKR-UHFFFAOYSA-N 353.363 3.029 0 1 FGAF Oc1nccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000603 IJFHPYVTFFUQDN-UPHRSURJSA-N 374.194 3.368 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1[C@]1(C)CCS(=O)(=O)C1 587864134 LPUAAMKUAHVHEI-OAHLLOKOSA-N 374.384 3.111 0 1 FGAF Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758926 YZFCPDDUHJHCKK-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)CCCC2=O)N1 587818017 OJHSSNDVVOXDAU-XYZCENFISA-N 368.246 3.276 0 1 FGAF Cc1cc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc2c(C)n1 587259392 GKGHCJXXEZNQAY-INIZCTEOSA-N 367.453 3.281 0 1 FGAF COc1ccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC 587927310 SIPVWGJQHLFBKU-UHFFFAOYSA-N 355.438 3.111 0 1 FGAF CCS(=O)(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407685 CDSFVEPWKQOPOG-IBGZPJMESA-N 374.462 3.219 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769186 NDKWWEQHXBBVRX-YOIRWDDOSA-N 367.262 3.330 0 1 FGAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C 587762485 FOJLCXMSGUDPOT-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(Br)s1)[C@@H](C2)C3=O 587449206 FSJTVBIARBDQOQ-SDBXPKJASA-N 352.209 3.403 0 1 FGAF N=C(N)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079904 LTBGGULXCYWTFD-ZDUSSCGKSA-N 352.829 3.224 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587236391 VVGOCVLYWLHNMJ-WDSKDSINSA-N 362.149 3.194 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(F)cc1F 587650351 SQYMZCYPVPDVKA-UHFFFAOYSA-N 364.373 3.410 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H](CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587451846 RRCAGDFDKYFAJZ-SAZGQGMLSA-N 350.370 3.300 0 1 FGAF O=C(O)c1cc(F)cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962767541 PNGWEJPTEXADJZ-GJZGRUSLSA-N 367.298 3.259 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(Cl)cc(C(=O)O)c3)c3cccc1c32 963039585 YMMDROWKNAEWNT-KZULUSFZSA-N 356.809 3.181 0 1 FGAF N=C(N)NCCC[C@H]1CN2C(c3ccc4ccccc4c3)=CSC2=N1 1772585603 BWEAJWHUDYHQOP-INIZCTEOSA-N 351.479 3.188 0 1 FGAF O=C(NC1CC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 5145711 ITJVNMCQBPWZGS-UHFFFAOYSA-N 370.453 3.479 0 3 FGAF Cc1nc2cc(OCc3cc(C(=O)N4CCCCO4)no3)ccc2s1 11844200 QTRAXPBEJVGFGQ-UHFFFAOYSA-N 359.407 3.339 0 1 FGAF O=C(OCC1CC1)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13831876 CWGVFIKKGAXEFA-HNNXBMFYSA-N 371.824 3.383 0 1 FGAF Nc1cccc(-c2cc(Nc3ccc(CP(=O)(O)O)cc3)ncn2)c1 169346760 MNFCFKSJBMLEFA-UHFFFAOYSA-N 356.322 3.147 0 1 FGAF COc1cc(N2C(=O)CN(Cc3ccc(F)cc3)C2=S)ccc1N(C)C 1857760477 XLINJBIGRDKMAT-UHFFFAOYSA-N 373.453 3.034 0 1 FGAF CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1 2616985 GOGVBNUXNOQQLA-UHFFFAOYSA-N 359.389 3.363 0 3 FGAF O=C1Nc2ccc(S(=O)(=O)O)cc2C1(c1ccccc1)c1ccccc1 29547945 PFKHCSFZVGIRFJ-UHFFFAOYSA-N 365.410 3.220 0 1 FGAF COc1cccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)c1 117699826 JKNLMIRWJFYZQT-UHFFFAOYSA-N 350.422 3.473 0 1 FGAF CC=C(CO)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356515900 FRUFGLJBMBUARK-VQIMIIECSA-N 352.434 3.083 0 1 FGAF CCOC(=O)[C@](CC)(CCC/C=C/I)C(=O)O 27854749 HUMCKQQTPUBJJQ-YPUOHESYSA-N 354.184 3.150 0 1 FGAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNCC(C)C)O3)no2)cc1 2356730479 KHZRTVWGONVOET-ZJOUEHCJSA-N 374.481 3.047 0 1 FGAF COc1ccc(S(=O)(=O)c2ccc([C@@](C)(O)C(F)(F)F)cc2)cc1 64573461 OJSGXLSONZGABF-OAHLLOKOSA-N 360.353 3.298 0 1 FGAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N(C)CCNC)cc1 38322617 AWOVUCXRNCPPEA-NRFANRHFSA-N 353.510 3.409 0 1 FGAF CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2ccccc2)s1 82163327 VUAVWUMLXMNKHI-UHFFFAOYSA-N 367.478 3.378 0 1 FGAF CC(C)CNC(=O)c1coc(NC(=O)c2ccccc2Br)n1 84759512 WSHVOKKTODFCBQ-UHFFFAOYSA-N 366.215 3.075 0 1 FGAF CCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1 199939644 LZJUEYNZAAZMEH-UHFFFAOYSA-N 372.288 3.244 0 1 FGAF Cc1ccc(C)c(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCOCC2)c1 45365230 QCBSFOLIKYKHBE-FQEVSTJZSA-N 366.461 3.216 0 1 FGAF CC(=O)N(C)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144803361 SGCZGCHFWJCVPG-GOSISDBHSA-N 365.351 3.322 0 1 FGAF CC(=O)Nc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O 147539065 BLKMPELUOVTGNV-UHFFFAOYSA-N 353.407 3.096 0 1 FGAF COC(=O)c1ccc(N2CCc3ccc(Br)cc3C2=O)cc1 621476531 QDZOTYWANJRLEU-UHFFFAOYSA-N 360.207 3.439 0 1 FGAF Nc1ncccc1C(=O)O[C@H](C(=O)NC1CCCCCC1)c1ccccc1 621428616 JDDQYGIDWQPNBO-SFHVURJKSA-N 367.449 3.401 0 1 FGAF CN1CCC(Cn2cnc([C@@](O)(c3ccccc3)C3CCCCC3)n2)CC1 473153367 BCZILQQCQBJKKH-JOCHJYFZSA-N 368.525 3.436 0 1 FGAF N=c1nc(NC2CNC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473102964 MKGQSTFEYFRIGW-UHFFFAOYSA-N 365.384 3.173 0 1 FGAF COc1ccc(-c2cc(Cl)cc3c(=O)nc(N4CCOCC4)oc23)cc1 653784956 GMMUXNMEUKQUDY-UHFFFAOYSA-N 372.808 3.354 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)C(F)(F)C1 587133087 WNIBTEXJLFLYEE-JTQLQIEISA-N 363.368 3.409 0 1 FGAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(N)ncnc2[nH]1 587122002 OVBUEBZAUBSIRU-UHFFFAOYSA-N 360.299 3.357 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2c1 587046376 QFBFLNUWSLFOMP-UHFFFAOYSA-N 366.826 3.391 0 1 FGAF COC(=O)[C@@H]1C[C@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587807558 LURKNQPIGPJQFY-HSOHIQCKSA-N 368.246 3.457 0 1 FGAF CC(=O)N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586987287 MQGJOMWHXIDJRD-LBPRGKRZSA-N 358.397 3.145 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(N4CCOCC4)c1)[C@@H](C2)C3=O 587443181 LIFIEZYXWXOYOP-LAUBAEHRSA-N 351.402 3.021 0 1 FGAF CN1CCN(c2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)CC1 587174416 PHEJBVSNYQTGCP-LJQANCHMSA-N 352.413 3.130 0 1 FGAF C[C@H](Cc1ccnn1C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581212 KXHPRZDTEQKPIP-MPKWNAGQSA-N 364.401 3.335 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccco2)(C(=O)O)N1 587831839 YNHKEVKNMMIKJK-ABKXIKBNSA-N 368.202 3.238 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N[C@@H](C)c1ccccc1 587650410 KZBGOCPIGDQXIY-LBPRGKRZSA-N 356.447 3.371 0 1 FGAF O=C(O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587561889 XTGPQUYGYCIQSO-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF CC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193312 HAKMGKOUTDPVDA-UHFFFAOYSA-N 365.433 3.285 0 1 FGAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963098344 GMAMMIZSQHLFFW-SPLOXXLWSA-N 362.408 3.227 0 1 FGAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 1772657319 JJENJMNANJNWBJ-QPEQYQDCSA-N 358.195 3.355 0 1 FGAF c1ccc(CCCN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772598271 OAAWZOIHZUDJRD-UHFFFAOYSA-N 360.465 3.418 0 1 FGAF CC(C)O[C@H]1[C@@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169292850 RPQABHLKBRUCIH-SJCJKPOMSA-N 366.849 3.089 0 1 FGAF COc1ccccc1CNC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 769243 RINAZBSDTQQUKX-LJQANCHMSA-N 358.825 3.406 0 1 FGAF COc1ccc([C@@H](CNC(=O)C=Cc2ccccc2)OC(C)=O)cc1OC 2356465030 XULKPSWLPHAMGU-HXUWFJFHSA-N 369.417 3.138 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4050820 ZEFAKLOGOFOCJS-QTWZMDIBSA-N 366.461 3.302 0 1 FGAF Cc1ccccc1Nc1nc(N)nc(COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)n1 6913038 DQSLDMQPJAEKCK-RRFJBIMHSA-N 367.453 3.375 0 1 FGAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356302743 XFSXVQNLQCHQKW-SJORKVTESA-N 370.497 3.494 0 1 FGAF C[C@@H](NC(=O)COC(=O)c1ccc2ccccc2n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101496977 NMAMANILFJYJBL-SRABZTEZSA-N 352.434 3.333 0 1 FGAF COc1cc(-n2cnnc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC 35259114 FOOPCPSLXNMVBQ-UHFFFAOYSA-N 364.405 3.452 0 1 FGAF COc1ccc([C@@H]2C(=O)c3cccn3-c3ccccc3S2(=O)=O)cc1 29224017 UFLXEBOXSLVRFQ-LJQANCHMSA-N 353.399 3.197 0 1 FGAF CCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568681 ZQUXDOJBDFPTDM-UOWKUBESSA-N 357.494 3.362 0 1 FGAF in-vivo COc1ccc([C@H]2c3ccc4ccccc4c3O[C@H]3N=CNC(=O)[C@H]23)cc1 64446757 YCQVEVOYEWUITM-CNNODRBYSA-N 358.397 3.473 0 1 FGAF Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 35846334 HLAPBHGJHLAYSD-UHFFFAOYSA-N 356.253 3.199 0 1 FGAF COc1cc(NC(=O)[C@@H]2CS[C@H](c3ccccc3)N2)cc(OC)c1OC 40393304 IWJCWYIFERMWPN-IFXJQAMLSA-N 374.462 3.055 0 1 FGAF O=C1CCCc2[nH]nc(-c3nnc(-c4ccccc4Br)o3)c21 1911574736 VJPVIFTYCSFYNI-UHFFFAOYSA-N 359.183 3.408 0 1 FGAF CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@]1(CCc3ccccc31)O2 40392853 SIFKPHFFNJDVRT-JOCHJYFZSA-N 361.445 3.477 0 1 FGAF O[C@@H]1CCN([C@H]2CCCC[C@@H]2OCCc2ccccc2Br)C1 143317526 PNVFQNPFMGVTKU-NJAFHUGGSA-N 368.315 3.386 0 1 FGAF CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 95600300 VBFXWALAASQWAI-DLENHJPASA-N 368.529 3.210 0 3 FGAF O=C(NC[C@@H]1CCN2CCCC[C@H]2C1)c1c2n(c3ccccc13)CCCO2 253754624 NXGXTRKGFHRWQX-SJORKVTESA-N 367.493 3.418 0 1 FGAF Cn1cnc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587580322 XBSUNXOGPKJJOE-XLIONFOSSA-N 373.368 3.377 0 1 FGAF COC(=O)[C@@H]1C=C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587809040 PULLZIOPKWOZQE-LYGAQUJYSA-N 354.219 3.067 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)CCC(=O)O)N1 587827307 KIDNDKLOXZYINB-ABKXIKBNSA-N 372.234 3.162 0 1 FGAF O=C(c1cccc(F)c1)c1c(CO)oc2cc(Br)cnc12 587276220 NSGIHVCCELCLLE-UHFFFAOYSA-N 350.143 3.453 0 1 FGAF Cc1nn(C)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580122 HHDMZLKTUYPCQW-PXNSSMCTSA-N 350.374 3.311 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1N1CCOC1=O)O2 587400093 PELZCQWUVPBKBP-HXUWFJFHSA-N 352.390 3.414 0 1 FGAF Oc1nc(O)c2ccc(-c3c[nH]c4cc(Br)ccc34)nc2n1 587367322 WBKGGZFGZUTBSM-UHFFFAOYSA-N 357.167 3.347 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(O)n1 587859756 HYSWYQQWTXCICV-UHFFFAOYSA-N 352.181 3.135 0 1 FGAF CS(=O)(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993133 FGWAOEZVCFVNQN-HNNXBMFYSA-N 365.410 3.184 0 1 FGAF CCS(=O)(=O)NCCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586943552 DAHPMTODAYMDGE-UHFFFAOYSA-N 359.451 3.227 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc12 587241798 JRHHEHVUPOZQSC-UHFFFAOYSA-N 352.394 3.396 0 1 FGAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776191 BRQNPDSZPDCIFD-MGPLVRAMSA-N 350.235 3.484 0 1 FGAF O=C(N1CCSCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662836 RJHJXXXGLZSDLE-UHFFFAOYSA-N 369.421 3.220 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N1CCOCC1 587866603 NZAPVAHHHWYNSW-UHFFFAOYSA-N 369.343 3.268 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@]12CCCC[C@]21CCOC1=O 961314968 BERGPNXZYXMJMC-YADHBBJMSA-N 373.493 3.292 0 1 FGAF C[C@@H](OC(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)c1ccccc1 13492633 XYLGLGFZLQRDKD-LLVKDONJSA-N 368.780 3.087 0 1 FGAF CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 15481542 HHSMVTBXPRFIKH-AUUYWEPGSA-N 363.527 3.242 0 1 FGAF CC1=C(C)C(=O)N(Nc2ncnc3scc(-c4cccs4)c23)C1=O 169349382 MTJREOVNWPRGOB-UHFFFAOYSA-N 356.432 3.452 0 1 FGAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 169686926 RDQBONJTCROCKO-CABCVRRESA-N 374.828 3.239 0 1 FGAF CCc1ccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)cc1 169710045 YWKVPLVOXCITOE-UHFFFAOYSA-N 373.460 3.436 0 1 FGAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1 101296937 YVHVGXNKIZGXEJ-IYARVYRRSA-N 367.497 3.313 0 1 FGAF NC(=O)c1sc(N2CCOCC2)cc1O[C@H]1CCCc2ccccc21 1857761854 CPAKSSZBKUYQDP-HNNXBMFYSA-N 358.463 3.140 0 1 FGAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305943 VCYZFSVEBCSKFO-HUUCEWRRSA-N 356.470 3.246 0 1 FGAF CC[C@]12CCN[C@@H]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@@H]32 2356313817 CRQDDRSQYNCCIV-IVKGNPEFSA-N 370.493 3.336 0 1 FGAF O=C1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C(=O)N1CCc1ccc(Cl)cc1 101678174 AMRPDRKKGBUQSS-IJEWVQPXSA-N 360.841 3.252 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 28766427 RWBGTUPTUTZUOU-VIEIAIOFSA-N 369.505 3.452 0 1 FGAF NC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1 29136278 WHDSYMHDWWQFHO-UHFFFAOYSA-N 350.374 3.168 0 1 FGAF Cn1nc(-c2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1=O 72127508 PRQBLTDWNZALRX-UHFFFAOYSA-N 363.461 3.465 0 1 FGAF CC(C)N(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114347935 ZMIIFFANXFZVIP-GOSISDBHSA-N 363.465 3.222 0 1 FGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnc5ccccc5c4)nc3n21 117725354 GNBSFKOHIIYQLM-GFCCVEGCSA-N 371.400 3.141 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Sc1ncccc1Cl)C(=O)CC2 29339138 MMEYELFGJMQHKW-UHFFFAOYSA-N 368.867 3.387 0 1 FGAF CC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1 118260562 NRCOFKRFGMGSLO-WTNAPCKOSA-N 365.477 3.113 0 1 FGAF COc1ccc2c(c1)CN1CCc3c(cc(OC)c(OC)c3OC)[C@@H]1C2 26391212 WDKVEUAJLWWOEF-SFHVURJKSA-N 355.434 3.377 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN(CCc3c[nH]c4ccccc34)CC[C@@H]12 2356668371 NYNOIMNCLKTWCG-OLMNPRSZSA-N 354.450 3.124 0 1 FGAF CO[C@]1(C)CC[C@@H](O)[C@@]2(C)CCC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@H]1O2 2356795901 MPOJJBAWHONZTN-ORPNCOOFSA-N 364.482 3.452 0 1 FGAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1 34033652 MMFBBQQGBVPLQQ-LSDHHAIUSA-N 359.861 3.259 0 1 FGAF O=C(CN1CCOCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12 49113020 NKNOOXSHJOYYSM-UHFFFAOYSA-N 370.840 3.154 0 1 FGAF CCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40897709 MZLKRCNMPJIDPD-HIFRSBDPSA-N 366.849 3.091 0 1 FGAF COc1ccc(-c2cc(=O)c3cc(CN4CCOCC4)ccc3o2)cc1 45288300 POBHDGBUYVNUOO-UHFFFAOYSA-N 351.402 3.301 0 1 FGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)Nc1nccs1 25427725 OCAOOGJCWJGGTM-KGLIPLIRSA-N 358.467 3.055 0 1 FGAF biogenic C[C@@H]1[C@@H](C(=O)O)O[C@@H](Oc2cccc(C[C@@H]3CCC(=O)O3)c2)[C@H](C)[C@H]1C 95626103 GZLRAFFGSYXMES-UCRNANEESA-N 362.422 3.031 0 1 FGAF in-man CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95604061 TYKPSZJUNVEPGL-NRFANRHFSA-N 366.461 3.108 0 3 FGAF CCCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253674266 RWBGTUPTUTZUOU-ULNWEMDVSA-N 369.505 3.452 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 253634690 UGPOMYIOAGJKAA-JIQMBCLOSA-N 355.478 3.206 0 1 FGAF CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 653883080 IJJMAEBEVMXLBR-UHFFFAOYSA-N 361.873 3.387 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cn2)N1 587735767 VABIYUTVPCVQPG-AYVTZFPOSA-N 354.198 3.315 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC2(C)C)N1 587833397 NBHQMAWOVBQQJB-PWJLMRLQSA-N 370.218 3.095 0 1 FGAF O=C(O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007242 OWRDKUSUTOWSCI-UHFFFAOYSA-N 357.167 3.338 0 1 FGAF Cn1nnc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587582482 LMRONXIXQVQTSH-RXVVDRJESA-N 373.368 3.377 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)CSC)[nH]c2c1 586969210 ONXXHAGEMXJAEL-UHFFFAOYSA-N 355.529 3.282 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCSCC4)nc1)[C@@H](C2)C3=O 587454077 UTRQMVIFNVGURF-MGPUTAFESA-N 368.458 3.132 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](N=O)C(=O)Nc1ccccc1)O2 587392180 XYGVKYIZACDUMO-HKUYNNGSSA-N 353.378 3.075 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c[nH]1 587061659 XBVPWKOZXDJQOR-UHFFFAOYSA-N 358.192 3.196 0 1 FGAF COC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587439594 WQMBEMUKKAMGDN-ZUOKHONESA-N 355.390 3.090 0 1 FGAF COc1c2c(cc3occc13)OC(C)=C[C@]21N[C@H]2Cc3c1ccnc3C2=O 963289969 SLDSKYZUSDKYMB-LHSJRXKWSA-N 360.369 3.087 0 1 FGAF CCOP(=O)(CCCCCCCCn1cc(C)c(=O)[nH]c1=O)OCC 13558091 VCZVDRONRHBOEU-UHFFFAOYSA-N 374.418 3.452 0 1 FGAF CN1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccc2[nH]cc(CCN)c2c1 13603568 AGVADLPAQQHKAL-LJQANCHMSA-N 362.477 3.148 0 1 FGAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2O)n1C 14944748 LLJAXJFZIUWVSL-VKAVYKQESA-N 374.915 3.341 0 1 FGAF Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 169697303 BSHYQTFFMWNJDG-UHFFFAOYSA-N 359.437 3.019 0 1 FGAF O=C(CCc1ccccc1)N[C@H]1CC[C@](O)(c2ccc(O)c(F)c2)CC1 101099615 TVARSTZCSSBQNQ-UEDWGHLCSA-N 357.425 3.411 0 1 FGAF O=c1c2c(oc3cccc(O)c13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857610060 OBBUJRWEPXKCJK-HCKSERAJSA-N 366.461 3.124 0 1 FGAF COc1cc(C[C@H]2COC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 28088672 HISPMCYBAUFNFT-IRXDYDNUSA-N 358.434 3.466 0 1 FGAF COc1cc(CCCN2CCNC[C@@H]2c2ccccc2)cc(OC)c1OC 61948898 GBVUPFOWNQYCES-LJQANCHMSA-N 370.493 3.292 0 3 FGAF CCNc1nc(-c2ccc(C(C)(C)OC)cc2)cc2ncn(C)c(=O)c12 115624378 LWTPXOYAFXJGLW-UHFFFAOYSA-N 352.438 3.309 0 1 FGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)cc4)OC[C@H]23)ccc1OC(C)=O 2356488125 ZPSPQHSDXGZBIM-PZBISTMVSA-N 370.401 3.401 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]5[C@@H](C)N(C)C[C@]45[C@H](O)C[C@@H]32)C1 2356557012 WOLVJLISTFAJCZ-GNRIEVNMSA-N 358.570 3.438 0 1 FGAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36384231 TUFCPGDOZSIACK-BLLLJJGKSA-N 364.392 3.246 0 3 FGAF Cc1ccc(-c2nn(Cc3nnc(S)o3)c(=O)c3ccccc23)cc1C 49088975 FIVIDAIGGSIPLU-UHFFFAOYSA-N 364.430 3.400 0 1 FGAF O=C(NC(=O)c1c(O)cccc1O)NC(c1ccccc1)c1ccccc1 43009654 KOEMGZKYPZVGAO-UHFFFAOYSA-N 362.385 3.327 0 1 FGAF CCOc1cccc(C(=O)N[C@H](c2ccc(OC)c(F)c2)C2CC(O)C2)c1 230462803 XKDYHCYGOLJRLI-ALLBUHFWSA-N 373.424 3.475 0 1 FGAF CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(OC)cc4)cc3[C@H]21 95878356 UQLNTDHUHCVUAC-WEYGHZABSA-N 366.461 3.448 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O 105017730 HRGSZQQJTWZVHP-WKULXVSPSA-N 352.367 3.375 0 1 FGAF biogenic C[C@@H](NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1)C(=O)O 299841091 XVOUOYDYCXZUHD-LPWJVIDDSA-N 370.371 3.314 0 1 FGAF Oc1cccc([C@@H](O)c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586893916 XWICFTDGYFXMLE-CYBMUJFWSA-N 355.138 3.391 0 1 FGAF C[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 587175319 YCYVRIZBDKGMLI-OAHLLOKOSA-N 366.274 3.091 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCc3[nH]ccc32)N1 587804013 QMASTNUJEDOVFE-FVMDXXJSSA-N 351.219 3.224 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2c1 587240493 UTNAAJKKBMDNJM-UHFFFAOYSA-N 352.394 3.135 0 1 FGAF COc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2n1 587198888 UXSBLOWXCXIWJR-UHFFFAOYSA-N 373.416 3.492 0 1 FGAF COCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096383 JHGLKZSPKGSBTB-UHFFFAOYSA-N 361.397 3.487 0 1 FGAF CC[C@@]1(COC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184143 QOUSFVKWQGBYJN-JSGCOSHPSA-N 351.752 3.209 0 1 FGAF COc1ccc(N2C(=N)C(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 1772649175 YMGBTCNEOZIXBN-UHFFFAOYSA-N 371.418 3.464 0 1 FGAF CC(C)(Cc1ccc(O)cc1)NC[C@H](O)COc1cccc2[nH]ccc12 5357231 CSBHABXERVDLKA-KRWDZBQOSA-N 354.450 3.224 0 1 FGAF CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 13740727 JEJKECLVSUQMHZ-UHFFFAOYSA-N 357.845 3.105 0 1 FGAF COc1ccc(CCNCC[C@H]2CN(C)c3ccccc3O2)cc1OC 13780747 JJMFEDURPBMSOI-KRWDZBQOSA-N 356.466 3.123 0 1 FGAF COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCC(C)CC2)c1 201450688 MLWQLYIGQGYPOE-JMLCCBQJSA-N 359.470 3.386 0 3 FGAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(F)c2)cc1 205372603 JEVFSDAVRROLIS-GOSISDBHSA-N 370.380 3.206 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCc1ccccc1 26948652 LLXBJPLPRPPAGV-KRWDZBQOSA-N 359.466 3.159 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12 64550005 LVXCQSLVHKIHFR-LBPRGKRZSA-N 372.881 3.489 0 1 FGAF CC(C)=CCc1ccc2[nH]cc(C[C@H]3NC(=O)[C@H](CC(C)C)NC3=O)c2c1 2356536079 OPJDHMQJVPIBCH-VQTJNVASSA-N 367.493 3.248 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CCN4CC[C@@]12[C@@H]3CC5 2356783680 LWTSCZYWXUUJKI-PMXSJFBMSA-N 352.434 3.086 0 1 FGAF 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CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95877323 UOXJBICYQMZMNX-RJGXRXQPSA-N 364.489 3.125 0 1 FGAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C 96934890 PBRCIETZONUZLQ-RTWAWAEBSA-N 366.392 3.157 0 1 FGAF N[C@@H](CCC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)O 473123217 UIBUUHBDTFWLBI-LBPRGKRZSA-N 355.419 3.094 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn3cccnc23)N1 587796096 PEYFKAQOIXFYPP-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF COc1ccc(C=O)c2cc(-c3nc4nc(Br)c[nH]c-4n3)oc12 586904234 UBKTWLNNLJGWNH-UHFFFAOYSA-N 373.166 3.301 0 1 FGAF CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](OC)C1 587517256 KANIGDMVOZMLMV-GHTZIAJQSA-N 373.449 3.147 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)cc(Cl)c41)[C@@H](C2)C3=O 587426793 FTXOJOOXALMADG-XTZNXHDOSA-N 359.740 3.083 0 1 FGAF O=C1CCC[C@@H](c2nc3cc(I)cnc3[nH]2)CC1 586884298 MNASFMVBOVGHSX-MRVPVSSYSA-N 355.179 3.179 0 1 FGAF COC(=O)c1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1OC 587034454 GDHUMBACHYGWCG-HNNXBMFYSA-N 358.419 3.276 0 1 FGAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587151914 VOSJVUPJACMWIT-QMMMGPOBSA-N 354.334 3.228 0 1 FGAF Clc1ccnc2[nH]c(-c3cncc(I)c3)nc12 587185393 SOOIQWUMFOFQRV-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF COc1nccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c12 586970733 PHENGFJSXHEAKM-UHFFFAOYSA-N 356.451 3.189 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)[nH]2)N1 587793615 ROAOZZBEZHITKI-WJWGPLDTSA-N 353.191 3.238 0 1 FGAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnncc3[nH]2)cs1 587019445 NHIBRFLOJCIRFS-UHFFFAOYSA-N 351.395 3.044 0 1 FGAF COc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C(F)(F)F)c1 587098825 XIMRBCIOUXIKRT-UHFFFAOYSA-N 360.299 3.233 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncnn3c2)N1 587796104 PFNQMKDDZFDARS-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1C[C@H]1CCCO1 962919708 KYAMAJNHTNRTGD-BPAFIMBUSA-N 372.440 3.111 0 1 FGAF O=C(CN1C(=O)CCSc2ccccc21)NCc1ccccc1Cl 5051974 RMJHKUCCMWFTEG-UHFFFAOYSA-N 360.866 3.485 0 1 FGAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)ccc1O 5999138 VBIRCRCPHNUJAS-FOEVPDMQSA-N 356.374 3.205 0 1 FGAF endogenous,in-man CC(C)=CCC/C(C)=C/CNCCN1[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H]([C@H]2[C@H]46)[C@@]1(O)[C@@H]35 169290557 WSCFZTLXQHUMEA-SEPZFRBLSA-N 354.538 3.029 0 1 FGAF CCCCC(=O)Nc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1 169305317 KZYJWENKQYGOCN-UHFFFAOYSA-N 373.478 3.411 0 1 FGAF C[C@H]1c2c(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnn2CCN1C 205903006 CXWPUOGBKGFBIZ-VIFPVBQESA-N 367.379 3.016 0 1 FGAF O=C(CCc1cccc2c1B(O)OC2)Nc1cccc(-c2ccccc2)c1 1857578139 GCZIYDWNVNAYTD-UHFFFAOYSA-N 357.218 3.143 0 1 FGAF O=S(=O)(c1ccc(O)c2ncccc12)N1CC[C@@H](c2ccc(F)cc2)C1 1857633393 CLSBPBKRROYZMM-CQSZACIVSA-N 372.421 3.258 0 1 FGAF O=C1C[C@@H]2C[C@H]2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857753834 KVGPSRLMTHROPM-HEHGZKQESA-N 370.399 3.302 0 1 FGAF O=C(O)[C@@H]1[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)[C@@H]2C=C[C@H]1C21CC1 4142279 ZMKZREDEILLOIJ-PRJGLUSLSA-N 355.478 3.232 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289452 WAEITXBTIFRCSE-ONTIZHBOSA-N 356.510 3.269 0 1 FGAF CCOc1cccc2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c(=O)oc12 6917836 AQHLJZXNDKKGCG-UHFFFAOYSA-N 350.330 3.433 0 1 FGAF CCCCOc1c(NCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O 101702667 JNAZPDNJMCNRBI-UHFFFAOYSA-N 373.840 3.187 0 1 FGAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@H]3C[C@@H]23)cc1 103201071 XVMITOBEQUYBIJ-RISCZKNCSA-N 357.316 3.050 0 1 FGAF CCO[C@@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@@H]1O 2356674121 WFWVEYQUMRMWGD-LPCJOIQWSA-N 364.397 3.014 0 1 FGAF CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73139468 OFIGBSCNGNSCPM-UHFFFAOYSA-N 368.528 3.115 0 1 FGAF N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 72141139 KVCSSYPCJHTNTA-MRXNPFEDSA-N 367.836 3.408 0 1 FGAF COc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CCC2 219174219 FPRBNBCSBZOASW-UHFFFAOYSA-N 360.841 3.242 0 1 FGAF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(O)cc4occc4c3O[C@H]1CO2 14585540 WEMVDFMZCALBHH-DLBZAZTESA-N 368.341 3.276 0 1 FGAF biogenic COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2cccc(F)c2)nn1 1911572825 VGBOIPUCSIXDBW-SOFGYWHQSA-N 369.352 3.092 0 1 FGAF C[C@]12C[C@@H]3C=C(Cc4ccccc4)[C@H]1[C@H](O)[C@@]1(CO)CC[C@H]1[C@@](O)(C3)C2 85547437 GYLMOFNQXNCIAR-VTNVWZLHSA-N 354.490 3.086 0 1 FGAF biogenic,in-vitro CCOC(=O)Cc1cc(O)cc2oc(CCCCC[C@@H](C)O)cc(=O)c12 43025564 NRXGHYGIYHFZNK-CYBMUJFWSA-N 362.422 3.088 0 1 FGAF biogenic CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554555 KOKJDKHCHSDJQH-UHFFFAOYSA-N 354.366 3.450 0 1 FGAF COC(=O)c1c(-c2cnccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623947 UIVRWFCJYGTIQC-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ncccn1)[C@@H](C2)C3=O 587435333 DWSKQGIZVYEDHW-HTAPYJJXSA-N 358.397 3.485 0 1 FGAF CCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)[C@@H]1CCCNC1 1772629930 PLEJXWFGOGSITA-OAHLLOKOSA-N 371.485 3.019 0 1 FGAF OCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772585081 WBNHJGNYDPCPIR-UHFFFAOYSA-N 354.389 3.292 0 1 FGAF COC(=O)c1cc2oc3ccccc3c2n1Cc1cc(=O)n2ccccc2n1 5135104 ZTEYOAAWJQQWCV-UHFFFAOYSA-N 373.368 3.230 0 1 FGAF COc1ncc(CN2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)cn1 11947644 BPEPSPSDMXCIDH-OAQYLSRUSA-N 358.530 3.353 0 1 FGAF CCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccc(CC(=O)O)cc1 13493336 IFKLQYAODWNBGL-UHFFFAOYSA-N 364.829 3.182 0 1 FGAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)NCc1ccccc1)S2=O 13603785 NSHBKHDATKZYGW-UHFFFAOYSA-N 371.458 3.226 0 1 FGAF Cc1cccc2c1[C@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 169089761 ZWYXVTJZBHMQHD-NRFANRHFSA-N 358.526 3.362 0 1 FGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C(C)C)c1 169706951 KJCQVKLYTKGALD-MRXNPFEDSA-N 354.454 3.158 0 1 FGAF O=C1CCC[C@H]2Cc3nc4cc5c(cc4cc3C[C@]23CCCN13)OCO5 205705536 NHDLJUQITYEZEU-YCRPNKLZSA-N 350.418 3.223 0 3 FGAF CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(\O)OC)C(C)=N2 4292256 XPIYXYIDJIMGHP-LVLBFHFTSA-N 372.450 3.321 0 1 FGAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1ccc(F)cc1 1857604496 PKEXADNIVNUZAU-UHFFFAOYSA-N 366.396 3.398 0 1 FGAF CC1CCC(NC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)CC1 1857761899 RSMJVVJBNQOZIS-BBBYJDLNSA-N 355.482 3.329 0 1 FGAF CCC(=O)[C@@H]1O[C@](O)(CCC2=CCOC2=O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356322502 LMVJVYFIOXLTDX-LNKGRISISA-N 350.455 3.149 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@H]1C=CC[C@@H]2c3ccccc3COC[C@@H]21 6020226 HLVBAEFCAASWFV-SQNIBIBYSA-N 358.434 3.235 0 1 FGAF O=C(O)[C@@H]1Cc2cc([C@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1 26650601 GFKYAZOCXXIWHG-FZMZJTMJSA-N 352.173 3.368 0 1 FGAF CC(C)NC[C@H](O)COc1ccc(NC(=O)c2cccs2)cc1Cl 25978905 PQLLZEXELIFAHS-ZDUSSCGKSA-N 368.886 3.392 0 1 FGAF COc1cccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1 20155623 WELRPZWETBZMNW-UHFFFAOYSA-N 372.808 3.387 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2356516651 DWBSPRNBPGOZCH-VQTQVTBOSA-N 374.433 3.459 0 1 FGAF COc1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 61926317 JQVAKOXJRPMTTO-OAQYLSRUSA-N 370.449 3.316 0 3 FGAF CCN1CCC[C@H]1CN[C@H]1c2cc(OC)ccc2OCc2ncccc21 22441276 VXQFZPGZTLWMKG-YCRPNKLZSA-N 353.466 3.146 0 1 FGAF COC(OC)C1=CN([C@H](Cc2ccccc2)C(=O)O)C=C2[C]1CC[C@H]2C 2356829805 OXANEYNHWRLBBF-AUUYWEPGSA-N 356.442 3.389 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1 35996244 GMCFDFMIXXOVSH-RBUKOAKNSA-N 355.869 3.170 0 1 FGAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc21 70719204 BDWHZNCEEMZYIK-UHFFFAOYSA-N 362.865 3.266 0 1 FGAF COc1ccc(C(=O)c2ccc(=O)n(-c3ccc(Cl)cc3)c2)c(O)c1 45301155 DFTYCOPNSYLFIV-UHFFFAOYSA-N 355.777 3.436 0 1 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)c(Cl)c1 40380193 TUTXPFRCFLJDJM-HNNXBMFYSA-N 360.834 3.436 0 1 FGAF Cc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F 224701923 OINNVURUBMFDPC-UHFFFAOYSA-N 372.425 3.212 0 1 FGAF COC(=O)c1ccc(OC)c2oc(C(=O)Nc3ccc(OC)cc3)cc12 45354847 SAXDRFIXSJCNQO-UHFFFAOYSA-N 355.346 3.489 0 1 FGAF COc1cc(C(=O)c2oc3cccc(OC)c3c2N)cc(OC)c1OC 45506671 NCMAPLQCNWCRNX-UHFFFAOYSA-N 357.362 3.280 0 1 FGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21 144240502 OTNJLOBFUMVRLU-LLVKDONJSA-N 364.858 3.144 0 1 FGAF C[C@@H]1CC(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)=NO1 261164417 RNIOQXXATNFODO-VXGBXAGGSA-N 364.409 3.354 0 1 FGAF O=CN[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261103749 GZNLRQUVYFCLCG-UAPYVXQJSA-N 356.510 3.496 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587347710 POPYZYJHGLSEIZ-ZKYUUJBMSA-N 353.393 3.355 0 1 FGAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4c(cc3[nH]2)OCCO4)n1 587117422 GRMFZZLJOCOYAS-UHFFFAOYSA-N 364.327 3.475 0 1 FGAF CCn1nc(C(F)(F)F)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420347 FVAJVLDMMDVOKO-QLJPJBMISA-N 352.312 3.419 0 1 FGAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587028755 VGICPMYDGZBKKF-UHFFFAOYSA-N 351.391 3.321 0 1 FGAF Fc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1F 587007765 DPOKSGWENQDNKU-UHFFFAOYSA-N 350.126 3.313 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Cc1ccccc12 587817018 HHJVQOUAQPAQCR-MLCYQJTMSA-N 360.226 3.491 0 1 FGAF COc1cc2c3c(c1)O[C@](CSCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587453844 UNPNQTTYCORDOL-MGPUTAFESA-N 370.426 3.156 0 1 FGAF COC(=O)[C@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587805999 IHLHPXOFRPTRQH-KCWFYHRYSA-N 356.235 3.291 0 1 FGAF Nc1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587185181 YQYYRRUELAFCQW-SNAWJCMRSA-N 362.174 3.315 0 1 FGAF C[C@@]1(C2(Cl)CC2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699355 JCXHOVNQOGHSHF-DGCLKSJQSA-N 351.727 3.430 0 1 FGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12NCCc1c(Cl)cc(Cl)cc12 963123100 PFNCIUIFSOCMTP-LGAXPXOHSA-N 356.249 3.123 0 1 FGAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)CCc2ccccn2)C1 11938632 TYDWRTSTNMCAAP-OAHLLOKOSA-N 370.424 3.283 0 3 FGAF COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCNCC2)cc1 206068048 OIODPCNZQBPCPI-UHFFFAOYSA-N 359.857 3.006 0 1 FGAF Oc1nc(N2CCC3(CC2)CNc2cc(F)ccc23)nc2c1CCCC2 1857561317 KMMKOGNMTHXBIM-UHFFFAOYSA-N 354.429 3.164 0 1 FGAF Cc1nc([C@@H]2C[C@@H]2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1 220137702 WGHDYOHZXVHSJS-CVEARBPZSA-N 359.437 3.210 0 1 FGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccccc1 2356298008 LGIPYZLWHJZCHU-QWFCFKBJSA-N 356.514 3.004 0 1 FGAF COc1cc(C[C@@H]2NCC[C@H]3C(F)=C(O)C(O)=C[C@H]23)cc(OC)c1OC 100990518 IUCYJGARTZONQF-AGIUHOORSA-N 365.401 3.044 0 1 FGAF O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(Cl)cc3)ccc2O1 103241920 NCQWCWOXUSKEQS-UHFFFAOYSA-N 359.794 3.281 0 1 FGAF COC(=O)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1 103269196 DBVPFCGQJSZIRF-LJQANCHMSA-N 362.429 3.400 0 1 FGAF CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2Cl)CC1 28234650 XXXUSCSPGNMVOM-UHFFFAOYSA-N 351.922 3.405 0 1 FGAF O=C(OCC1=CCN2CC[C@H](C(=O)Oc3ccccc3)[C@@H]12)c1ccccc1 2356630945 LLISWLUHXODGLO-VQTJNVASSA-N 363.413 3.080 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 2356660146 GFUASHMLKMINGK-CHYNRVTJSA-N 374.433 3.170 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3(COC1)[C@@H]1[C@H](O)c4occc4[C@H](C)[C@@H]1CC[C@H]32 2356787054 TVXDWALFLWGXFF-PFCAXARWSA-N 360.450 3.432 0 1 FGAF CCC(C)(C)C(=O)OC[C@H]1CCCC[C@@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O 27560479 PVLHCKXVZJHGSV-QBPKDAKJSA-N 372.502 3.139 0 1 FGAF O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC(F)(F)F)cc21 64548372 RMLPPHYVSXEWLJ-UHFFFAOYSA-N 356.687 3.363 0 1 FGAF Cc1nc(C(=O)NCCN)cc2c3ccccc3n(Cc3ccccc3)c12 35067654 UZIODCDVHUBJAH-UHFFFAOYSA-N 358.445 3.235 0 1 FGAF CC[C@H]1CCCN(CCc2c([C@@H](CO)C(=O)OC)[nH]c3ccccc23)C1 14693909 PPSLHYQFNASMFW-MAUKXSAKSA-N 358.482 3.081 0 1 FGAF biogenic CC(C)O[C@@H]1[C@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40406917 RPQABHLKBRUCIH-SJKOYZFVSA-N 366.849 3.089 0 1 FGAF O=C1c2ccccc2C(=O)N1CCC[C@H]1CC(c2ccc(O)c(F)c2)=NO1 43013866 UBSHAIHAGGXDAC-ZDUSSCGKSA-N 368.364 3.101 0 1 FGAF NC1=N[C@@]2(CO1)c1cc(-c3ccccc3)ccc1OC1(CCC1)C21COC1 149403933 OUSCSZCQKOULOD-QFIPXVFZSA-N 362.429 3.226 0 1 FGAF COc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)cc1OC(C)=O 238781860 BSROEDRNGUUGNQ-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cn1 149906652 XLBDMSGNJYNJRN-MRXNPFEDSA-N 361.829 3.047 0 1 FGAF COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)cc2)ccc1OC(C)=O 238762102 ZPSPQHSDXGZBIM-JYWFKMLOSA-N 370.401 3.401 0 1 FGAF biogenic Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 299860693 JPLZNLANFXMHIL-DLBZAZTESA-N 353.470 3.223 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cncc(Cl)n1 587868940 WVPBOOGNWTUJTM-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF N=c1[nH]c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc-2c(Cl)[nH]1 587074759 XSYPANFSAOZXDV-LLVKDONJSA-N 363.252 3.361 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2c(S)nc(S)nc2[nH]1 587786335 GBQNIWWIQXXXDV-UHFFFAOYSA-N 360.464 3.063 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NC(C)(C)C2)N1 587789223 AMESTDZZJOBYJU-XXFAHNHDSA-N 355.251 3.006 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC[C@H]4CO4)c1)[C@@H](C2)C3=O 587455078 IKGQWZKWBYOXLB-XGHQBKJUSA-N 352.386 3.136 0 1 FGAF N[C@H](N=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039829 GAKWNAYOKWULEA-YESZJQIVSA-N 353.451 3.233 0 1 FGAF COc1cccc(-c2cccc(-n3c4c(c5c3OC(=O)C5)CC(=O)O4)c2)c1 587938249 RWCIGKNRDMHQHQ-UHFFFAOYSA-N 361.353 3.076 0 1 FGAF CCCCS(=O)(=O)N[C@@H](c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C 586933356 QADAONFLSKEMFX-LLVKDONJSA-N 358.895 3.336 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)OC(C)(C)C)(C1=COCCC1)[C@@H](C2)C3=O 587450278 FLGAMMUUNMJHST-YCRPNKLZSA-N 372.417 3.217 0 1 FGAF COC(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2n1 587565709 IQVDMGHZHQRLDF-UHFFFAOYSA-N 355.394 3.358 0 1 FGAF N=C1c2ccccc2CN1c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587559557 ZXLYFJVJGRFUNC-UHFFFAOYSA-N 369.384 3.449 0 1 FGAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(CC(=O)O)cc1)N(C)[C@@H](C)C2 962628779 QFSVPHAXWSSCBV-RCDICMHDSA-N 369.461 3.471 0 1 FGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC(Cl)(Cl)C2(O)O)N1 962953818 WJXKDMYYQHMCLM-BDJLRTHQSA-N 369.292 3.326 0 1 FGAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962908059 TVRWYECLCYXDQQ-SAJDGTNDSA-N 355.409 3.452 0 1 FGAF Cc1csc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962904548 WAIDLFOANBZXMS-GOEBONIOSA-N 357.410 3.070 0 1 FGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1C[C@@H]1CCCO1 962919710 KYAMAJNHTNRTGD-QSFXBCCZSA-N 372.440 3.111 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Sc1ccccc1F)C(=O)CC2 13744773 GKVLYFYIOGZGMP-UHFFFAOYSA-N 351.424 3.477 0 1 FGAF COc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1 13744808 IPNFBRLFLXHQCM-UHFFFAOYSA-N 363.460 3.347 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@H]1C[C@H]1Cc1ccccc1)N1CCCC1 13756544 XKZSTDUTLOLSSW-OCBVQYKSSA-N 366.505 3.257 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1CCCC(=O)O 169622142 ZOCFIYOANZRNDX-HIGBTYBHSA-N 354.487 3.043 0 1 FGAF C[C@@H](N=c1nc(-c2ccc(Cl)cc2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857768883 HCYXLCKNAFUVAU-VXGBXAGGSA-N 357.889 3.457 0 1 FGAF COc1cc(C=CC(=O)OCCCc2ccc(O)c(OC)c2)ccc1O 2356411761 YKUYJFZWORZCOC-UHFFFAOYSA-N 358.390 3.304 0 1 FGAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1 4049206 IENGNHVIPVKNPZ-UYAOXDASSA-N 352.434 3.010 0 1 FGAF Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2)n[nH]1 59263584 RCUFJSPQSAHGNP-YJBOKZPZSA-N 353.470 3.033 0 1 FGAF CCCCO[C@@H]1C=Cc2c(cc(O)c(OC)c2O)CC(=O)O[C@@H](C)C1 2356720927 ODGHZFOGPPEMMC-GXTWGEPZSA-N 350.411 3.183 0 1 FGAF CC[C@@H](C)CCN1C(=O)[C@@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71333284 UMKRKRDQZNEOFO-SPLOXXLWSA-N 353.418 3.434 0 1 FGAF C[C@@H]1OC(=O)[C@@](CC(=O)c2ccoc2)(c2cccc3c2COC3=O)[C@@H]1C 14690266 RQRKBQRRGRWHRG-XAAFQQQXSA-N 354.358 3.042 0 1 FGAF biogenic COc1ccccc1[C@H](O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 137527749 VSFBOTWBXXGODA-HXUWFJFHSA-N 373.412 3.419 0 1 FGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 88260828 LAJRMLHKDHAMOJ-LEWJYISDSA-N 372.534 3.116 0 1 FGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCCC3)cc2n1 220608587 PWQQEHSIESJWMA-UHFFFAOYSA-N 363.392 3.376 0 1 FGAF CCN(CC)CC(=O)NCc1cc(-c2ccc(Br)cc2)no1 95557414 RYGZVGNWCMDLML-UHFFFAOYSA-N 366.259 3.062 0 1 FGAF O=C(Nc1cncc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1 96175666 PTGIFMGZNRIYMG-UHFFFAOYSA-N 367.312 3.392 0 1 FGAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 254201025 SLEIUYBAUZPTKQ-FCNLHXGSSA-N 350.499 3.293 0 3 FGAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(Cl)cn4)[C@@H]3C2)nc2ccccc21 261141632 NEMXIGWAGKMPLI-MUJYYYPQSA-N 368.868 3.379 0 1 FGAF CN(C)c1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1 299825647 MLDHAQHRHIXQBU-UHFFFAOYSA-N 353.357 3.121 0 1 FGAF CC[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581645 WXAQBPDVZDIOIJ-GHTZIAJQSA-N 362.385 3.467 0 1 FGAF N=c1[nH]c2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc-2c(Cl)[nH]1 587133743 BDFFVJPULDOHHO-OWOJBTEDSA-N 361.661 3.236 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c3nc(O)ccc13)O2 587395607 SDYZESHOVVHXDC-FQEVSTJZSA-N 350.374 3.417 0 1 FGAF CC(C)N1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580057 BDNVRGRCQLEJDV-XQAUZQBESA-N 353.418 3.453 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587783309 NGJADNIBHHZVOB-UHFFFAOYSA-N 370.718 3.359 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCCC[C@H]12 587591859 XFJLJWVBZRSZPB-BBTUJRGHSA-N 351.402 3.351 0 1 FGAF COc1ccc2c(c1)CC[C@H]([C@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)C2 962895776 IJFYFISGKBOYSD-PNHOKKKMSA-N 355.409 3.279 0 1 FGAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@]42CN3CC[C@H]2C3)cc1 963817203 LRCPMALOKZOGQO-GAJHUEQPSA-N 359.473 3.423 0 1 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)nc(C)c12 1772592954 MNPQECORDYAAFG-OAHLLOKOSA-N 368.441 3.207 0 1 FGAF COc1ccc2ccc(=O)oc2c1CC(=O)C(C)(C)OC(=O)CC(C)C 14636945 IVUUZDISSRIGJO-UHFFFAOYSA-N 360.406 3.281 0 1 FGAF biogenic,in-vitro CC1(C)C[C@@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)CCO1 14882272 IMWGMFCLKRLJIQ-ROUUACIJSA-N 366.461 3.374 0 1 FGAF CCCNC(=O)c1ccc(Cn2cc(-c3ccc(C)cc3)ncc2=O)cc1 206061746 DTZJZQPWMKRZAB-UHFFFAOYSA-N 361.445 3.407 0 3 FGAF CC(=O)O[C@@H]1CC[C@@H](O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 1857603532 CMCSUPCJHLLLGO-ZXSMNVAJSA-N 350.455 3.458 0 1 FGAF CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NC1CCCC1)CC2 14537508 HVWNSNQQOISBBC-QGZVFWFLSA-N 358.530 3.213 0 1 FGAF CC=C(CC)c1c(O)cc2c(c1O)[C@H](O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 2356430482 LNOFDVSWGARPID-ZCNNSNEGSA-N 358.390 3.145 0 1 FGAF CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12 53294130 DJACUMHEINQBQI-UHFFFAOYSA-N 358.423 3.258 0 1 FGAF CC(C)N1C[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 100831463 NJORTSQFZWUIIE-QZTJIDSGSA-N 370.541 3.049 0 1 FGAF COCC[C@@H](CC1(C(=O)NCCCc2ccccc2)CCCC1)C(=O)O 28641133 LXBLLHCYZOEWIH-SFHVURJKSA-N 361.482 3.423 0 1 FGAF CC(=O)[C@H](C)[C@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2356572064 NYJDPARBGPGZBE-WLRWDXFRSA-N 370.357 3.267 0 1 FGAF COC(=O)C1=C[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2[C@@H](C)O1 2356770534 ZLQMRLSBXKQKMG-ZDFLXESQSA-N 352.434 3.179 0 1 FGAF C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)cc64)OC[C@H]3[C@H]1C[C@H]25 71281389 HBPGSKLHBXLGBP-RMPARDTOSA-N 352.434 3.054 0 1 FGAF NC1=N[C@H](c2ccccc2)NC(NCCCSc2ccc(Cl)cc2)=N1 71282249 AEKBHMGBHSUNEE-INIZCTEOSA-N 373.913 3.385 0 1 FGAF O=C(O)[C@@H]1C[C@@H](C2=CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 34009022 RAVZUVXRDCISNO-WBVHZDCISA-N 369.808 3.061 0 1 FGAF CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72107928 MXFWDQZDPKSJQR-AWEZNQCLSA-N 374.462 3.497 0 1 FGAF C[C@H]1[C@@H]2CC[C@@H](C)[C@@H]2C(=O)O[C@H]1O[C@@H]1OC(=O)[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C 70454209 KLFPATKRXRCHCY-KAEITONLSA-N 350.455 3.366 0 1 FGAF biogenic,in-vitro COc1ccccc1C(=O)N1N=C(c2ccccc2)NN=C1c1ccccc1 40641408 ZKSOREVYDJOJAR-UHFFFAOYSA-N 370.412 3.464 0 1 FGAF CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)C 137513372 REOAFLKDMUDWNA-SORZUVAWSA-N 362.466 3.481 0 1 FGAF in-vitro CCn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2CC)n(CC)c1=O 45506723 QFEKLDRRKZWLNS-WFYKWJGLSA-N 364.449 3.146 0 1 FGAF COCCn1c(CC(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184521 XQICLIMLLLFICX-UHFFFAOYSA-N 357.433 3.422 0 1 FGAF Cc1nn2c(O)cc(N3CCOCC3)nc2c1Cc1cccc2ccccc12 95583603 CNJZWEISIUGWDE-UHFFFAOYSA-N 374.444 3.324 0 1 FGAF CNC(=O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1 144339376 URIOXVSWIXONNV-UHFFFAOYSA-N 360.417 3.313 0 1 FGAF COc1ccc(OC)c(Sc2ccc3nnc(-c4ccsn4)n3n2)c1 299826595 DRAQCIFUQZUNID-UHFFFAOYSA-N 371.447 3.416 0 1 FGAF Cc1cc(Cl)ccc1-n1ncc(C(=O)N(C)CCc2ccccn2)c1N 299852948 ZWDFHYOLFMQVMS-UHFFFAOYSA-N 369.856 3.126 0 1 FGAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCCC3)cc21 653866672 BNPVQZVJCMJHER-UHFFFAOYSA-N 358.442 3.466 0 1 FGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 587529880 RCTWOZYFZNNAME-RQNWNLLISA-N 362.425 3.112 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1 587190119 GNTKNINMWYYPNW-AWEZNQCLSA-N 355.398 3.015 0 1 FGAF Cc1ncncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587780061 XZSZLNZMOZWPKT-JDNHERCYSA-N 350.235 3.484 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2CNC=O)N1 587743083 NUKPFRADZSRXHZ-NDGTYSDOSA-N 369.278 3.254 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2cc(F)cc(Br)c2[nH]1 587248737 VHQMEHRSEJBBJD-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COc1ccc(NC(C)(C)c2nc3nc(Br)c[nH]c-3n2)cc1 587201476 NKVPBPLOOMDQKD-UHFFFAOYSA-N 362.231 3.423 0 1 FGAF CCOC(=O)[C@]1(c2ccc(OCC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400512 QEUONRHWMVYHNO-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF CC[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581648 WXAQBPDVZDIOIJ-WIYYLYMNSA-N 362.385 3.467 0 1 FGAF C[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157299 SFYBEBLPPHXKIW-GOSISDBHSA-N 357.316 3.330 0 1 FGAF COc1cc2c(cc1OC)[C@@H](c1c(OC)cc(O)cc1OC)N(C)[C@H](C)C2 962627168 KWJCORIXOPXSJQ-GTJPDFRWSA-N 373.449 3.392 0 1 FGAF COc1ccc2c(c1)c([C@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)c(C)n2C 962891314 DJMBPBCAKOEJNZ-PXNSSMCTSA-N 368.408 3.323 0 1 FGAF Cc1cc2c(cc1O)[C@](C)(c1cnc3ccsc3c1)N[C@H](C(=O)O)C2 963487791 DJHZTUXYDUUPCL-KXBFYZLASA-N 354.431 3.173 0 1 FGAF Fc1cccc2c1CCN([C@@H]1CCSC1)C21[C@H]2C[C@H]1CN(C1CC1)C2 962702125 MAWZAYPXBMIGRL-YQQAZPJKSA-N 358.526 3.499 0 1 FGAF O=C1/C(=C/c2ccccc2)N=C(N2CCOCC2)N1c1cccc(Cl)c1 640502 RIDGOFWDAHRVCW-AQTBWJFISA-N 367.836 3.416 0 3 FGAF O=C1c2cc(F)ccc2OC2(CCNCC2)[C@]12CC(c1ccccc1)=NO2 13660432 FSXVDMYYLNBNFE-NRFANRHFSA-N 366.392 3.086 0 3 FGAF CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Cl)cn3)cccc12 13761357 KLFNCMDJCYONOH-UHFFFAOYSA-N 362.842 3.150 0 1 FGAF COc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1 13764647 STNPHZVHYQRIIW-UHFFFAOYSA-N 351.402 3.369 0 1 FGAF COc1cccc(N2CCC(=O)N2CCC[C@@H](O)c2ccc(F)cc2)c1 169344315 PGJJSMWEZUGAGJ-LJQANCHMSA-N 358.413 3.302 0 1 FGAF COc1ccc(Cn2cc(COC(=O)N(C)Cc3ccccc3)nn2)cc1 203462309 KXCJPIMUIHNBDZ-UHFFFAOYSA-N 366.421 3.104 0 3 FGAF CC(C)NC(=O)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 3956074 VIBMZYIMFQHUGK-UHFFFAOYSA-N 359.470 3.481 0 1 FGAF COc1ccc2c(c1)c(CCCC(=O)O)c(C)n2C(=O)c1ccccn1 28119577 ICYFFEZDFXMRSB-UHFFFAOYSA-N 352.390 3.449 0 1 FGAF C[C@@H]1C(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)cc1c32 102838816 DCNZPEZRBYZCRB-NSHDSACASA-N 360.410 3.023 0 3 FGAF COc1ccc(S[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)cc1 53229397 DKNGJBYTIKXWCZ-KRWDZBQOSA-N 357.431 3.220 0 1 FGAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)C2=C(O)CCCC2=N1 20028869 VJTHZKHVLAMBLL-IBGZPJMESA-N 370.424 3.493 0 1 FGAF CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C 28248328 AHCLBNDBOQTPGQ-HNNXBMFYSA-N 365.905 3.163 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](c1cc(OC)c(OC)cc1OC)CO2 2356778149 NLZJUUUCOYCLBI-ZDUSSCGKSA-N 374.389 3.089 0 1 FGAF CCC[C@@H](CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O 34803283 WRLJDWUKTUNXCU-SFHVURJKSA-N 373.493 3.084 0 1 FGAF O=C(N1CCCCC1)N1CC(O[C@H](c2ccccc2)c2cccnc2)C1 73258810 VWRBVFUDQJCWAH-HXUWFJFHSA-N 351.450 3.478 0 1 FGAF Oc1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccc(O)cc12 31896132 CDYKBAWHYDICLA-UHFFFAOYSA-N 364.445 3.150 0 1 FGAF CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)NC(=O)N23)cc1 40380517 XATHDQDHNCBCBU-MJGOQNOKSA-N 361.401 3.133 0 1 FGAF O=C(CCOc1ccc(O)cc1)c1nnc(COCc2ccccc2)o1 88285907 JWCCTGXBZJCCEY-UHFFFAOYSA-N 354.362 3.144 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cocn5)n4)CCC3)cc2)cn1 149794871 VJGZLXUWIXLUOZ-UHFFFAOYSA-N 360.377 3.234 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@H]3[C@@]14CC[C@@H](C)[C@]31C[C@@H](c3ccoc3)O[C@H]1O[C@@H]4O2 238762496 GRJSIUBKDJRQIL-LCVOMWBQSA-N 374.433 3.424 0 1 FGAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 95600513 RUJXEJTUUSFVDR-QGZVFWFLSA-N 351.385 3.139 0 3 FGAF O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1CNC1CC1 148942262 IKRCABNTGWHQFX-UHFFFAOYSA-N 365.462 3.390 0 1 FGAF CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 95601297 NNWMSEOFPKIYMB-IBGZPJMESA-N 371.458 3.312 0 3 FGAF c1cc(OC[C@@H]2CCCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 96174961 FUGPTCJAZZYCRJ-OAHLLOKOSA-N 359.433 3.323 0 1 FGAF N[C@@H](CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C1CCCCC1 299854375 XKQAUGAENIWUAY-OALUTQOASA-N 363.933 3.328 0 1 FGAF C[C@]1(O)C[C@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1 653816313 CPANPOLBUJYHAM-BRWVUGGUSA-N 353.340 3.496 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1OC 587137063 RCHXDNQWQZIEQV-UHFFFAOYSA-N 351.284 3.025 0 1 FGAF CC(=O)C(C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810130 BWHCYKYPMMDTDQ-ZKANADHPSA-N 356.235 3.132 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2 587385688 DVGQOIXKKMXUPD-UYAOXDASSA-N 368.389 3.146 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)c3c(c1)CCCN3C)O2 587397512 BITXLGVGGPXJLL-IBGZPJMESA-N 350.418 3.479 0 1 FGAF O=C1CCc2cc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3cc2N1 587177236 DUNQXOOTNDRTKU-UHFFFAOYSA-N 351.385 3.249 0 1 FGAF COc1ccc2[nH]c(C(=O)O)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397679 YSFZFWAJSJSDGW-INIZCTEOSA-N 366.373 3.472 0 1 FGAF COC(=O)Cc1ccc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)n1C 962092180 MUFQBDZMZJGGLL-NRFANRHFSA-N 356.466 3.105 0 1 FGAF Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc43)cnc2n1 5939600 QQZVNNFURYIWAD-UHFFFAOYSA-N 369.432 3.021 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2sc(-c3cccc(F)c3)cc12 203827889 ISZIVZNFLOJNCE-ZDUSSCGKSA-N 370.453 3.365 0 1 FGAF O=c1[nH]c(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)ncc1F 207859154 RJBRATXTGJVTOV-UHFFFAOYSA-N 365.343 3.022 0 1 FGAF COc1cc([C@@H](O)COC(=O)/C=C/c2ccccc2)cc(OC)c1OC 1857632142 XGYMDUVKMXPXKU-SCOAYWHSSA-N 358.390 3.002 0 1 FGAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055624 WBWHDQWXIYXOTA-RDJZCZTQSA-N 362.813 3.178 0 1 FGAF CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc21 100821342 VRGIDUUVTFCUIU-GASCZTMLSA-N 370.432 3.444 0 1 FGAF C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)[C@H]12 100812301 HDGBFQTWWLTXGC-CWFSZBLJSA-N 374.440 3.318 0 1 FGAF COc1cc(N)c(Cl)cc1NC(=O)OCCN1C[C@@H](C)C[C@H](C)C1 29466622 UQNSMXLBEKDRQR-RYUDHWBXSA-N 355.866 3.457 0 1 FGAF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)CC2 115603927 USIKCXQLXHGVDD-OAHLLOKOSA-N 370.340 3.223 0 1 FGAF C=C1C(=O)C2=C[C@H]1C[C@H](OC(C)=O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2O 15116728 WJAMERXGFWVGIW-ULTNTHHESA-N 374.477 3.156 0 1 FGAF biogenic CC1(C)C=Cc2c(O)c3c(c(CO)c2O1)O[C@H](c1ccc(O)cc1)CC3=O 13461348 NDFCDWPCDQESDP-INIZCTEOSA-N 368.385 3.481 0 1 FGAF biogenic C[C@H]1C(=O)OC[C@H]1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14649601 AVZNYICISHZREJ-BXUZGUMPSA-N 354.358 3.085 0 1 FGAF biogenic COc1ccc(OC)c(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c1 40405031 OJQIKYXIZXWXPK-MRXNPFEDSA-N 369.425 3.155 0 1 FGAF CC(C)CNS(=O)(=O)/C=C/c1ccccc1CNC(=O)OC(C)(C)C 96020300 OCWQYMGTSXKQHF-ZHACJKMWSA-N 368.499 3.257 0 3 FGAF CCN1C(=O)CCc2cc(N3CCN(c4cnccc4C)C3=O)ccc21 147634431 BNCGWNUFCYLQIB-UHFFFAOYSA-N 350.422 3.136 0 1 FGAF C[C@@H]1NC(=O)C(c2ccc(F)cc2)=C1c1cc(Cl)c2c(c1)NC(=O)CO2 96283360 XWXVDWUFOLWWBG-VIFPVBQESA-N 372.783 3.239 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCN4C(C)=O)[C@@H](C2)C3=O 587444880 RPRBOOCENVWHBT-JTSKRJEESA-N 363.413 3.267 0 1 FGAF O=C(O)c1cc(F)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040631 INKIIKBWRXAKGB-HUUCEWRRSA-N 357.410 3.347 0 1 FGAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441294 DHJIPANUVXOBSL-LSWYUMSHSA-N 352.386 3.147 0 1 FGAF COC(=O)c1cccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587437151 DRQHMUQLGWYNMR-XCLFUZPHSA-N 363.369 3.452 0 1 FGAF COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)nn1-c1ccccc1F 587156846 STMKPHLHRRSEPH-QGZVFWFLSA-N 366.356 3.287 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2cc(F)cc(Br)c2[nH]1 587194308 CLWKSXWDSCVZPH-UHFFFAOYSA-N 350.195 3.296 0 1 FGAF CCOC(=O)[C@@](C)(OC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522210 KJQSESYAEBAUSX-LEWJYISDSA-N 374.433 3.174 0 1 FGAF COc1ccc([C@@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587373425 DFLDZHWLFPINIH-GOSISDBHSA-N 361.781 3.185 0 1 FGAF Nc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1N 587012222 HMZXSWBHKSCKKI-UHFFFAOYSA-N 350.245 3.491 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1ccccc1)O2 587402156 ZCCGIIIFFUABSJ-QFIPXVFZSA-N 366.461 3.160 0 1 FGAF CN(C)c1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587654275 JTSRDILAYDADMO-UHFFFAOYSA-N 358.854 3.361 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(F)cc2)N1 587729698 CTOOGYPSYDDJQF-QGHHPUGFSA-N 368.221 3.497 0 1 FGAF COc1ccc2c(c1)[C@@]1(C(=O)Nc3cc(F)c(F)cc31)N(C(C)C)CC2 962088280 FUTGIDPVJIIYAJ-HXUWFJFHSA-N 358.388 3.436 0 1 FGAF COc1cc(C(=O)NCc2cc(F)cc(F)c2F)ccc1-c1cn[nH]c1 1772657217 HPUIONZOLCECJV-UHFFFAOYSA-N 361.323 3.433 0 1 FGAF CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 13553335 AETVDXGKOIRRMV-UHFFFAOYSA-N 373.478 3.404 0 1 FGAF Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)o1 13829189 FGZNHNKAKGAAHO-BOCDPNTGSA-N 361.360 3.015 0 1 FGAF CCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622192 MZYZWZXTHYCVHQ-CKXCCYAOSA-N 354.487 3.043 0 1 FGAF CCNc1nc(Nc2cnn3c2COC(C)(C)C3)ncc1C(F)(F)F 205730415 UWNWRSKSXTWFKU-UHFFFAOYSA-N 356.352 3.176 0 1 FGAF O=C(/C=C/c1cnc2[nH]cc(-c3ccncc3)c2c1)NCc1ccncc1 1857550897 ICJNSFYIUHQCNU-OWOJBTEDSA-N 355.401 3.350 0 1 FGAF COc1ccccc1CN=c1nc2sc(-c3cccs3)nc2c(N)[nH]1 1857635983 VRCYNPYVXJBCSE-UHFFFAOYSA-N 369.475 3.440 0 1 FGAF CCOC(=O)C1CCN(C(=O)c2cc3cc(F)c(Cl)cc3n2C)CC1 1857765457 XSUNLFJXPMPIBM-UHFFFAOYSA-N 366.820 3.386 0 1 FGAF O=C(O)C[C@@H](NC(=O)c1ccc2cnccc2n1)c1ccccc1Cl 223506680 VPLGSGXOPKNPKF-MRXNPFEDSA-N 355.781 3.229 0 1 FGAF COc1cccc(Nc2ncc3ncc(=O)n(CCc4ccccc4)c3n2)c1 4238725 YMEUSEFXSUNKGW-UHFFFAOYSA-N 373.416 3.181 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@]13CC[C@H](C)[C@]21C[C@H](c2ccoc2)O[C@H]1O[C@H]3O 2356332371 FTIIWSAYPGBNDS-IBDOAGOCSA-N 374.433 3.328 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1Cl 25978898 PQLLZEXELIFAHS-CYBMUJFWSA-N 368.886 3.392 0 1 FGAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 61928097 NHJMZQWIHITJGL-NRFANRHFSA-N 367.449 3.252 0 3 FGAF CN(C)[C@@H]1CCN(c2nc(-c3cccc(F)c3O)nc3ccccc23)C1 66102811 ISFGRLJSCBBNGF-CYBMUJFWSA-N 352.413 3.282 0 1 FGAF COc1ccc(CC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 65248752 UQIBACHQDQLYLQ-HXUWFJFHSA-N 370.836 3.014 0 1 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 4990465 FFVRRQMGGGTQRH-AICUMBRKSA-N 354.450 3.042 0 3 FGAF biogenic O=c1ccoc2cc(OCc3cn(Cc4ccccc4F)nn3)ccc12 84706983 RAILVUIFYMZEBL-UHFFFAOYSA-N 351.337 3.151 0 1 FGAF Cc1ccc(F)c(OC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)c1 45324513 CNJLMTSROSUJFQ-UHFFFAOYSA-N 369.440 3.469 0 1 FGAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179354 WOIRXFBNZIVANK-UHFFFAOYSA-N 366.469 3.006 0 1 FGAF O=C1CCc2cc([C@@](O)(c3ccccc3)c3ccncc3)cc3c2N1CC3 95593080 DORBQYJIKXWGNW-HSZRJFAPSA-N 356.425 3.201 0 1 FGAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)[C@H]1CC[C@H](N)CC1)CC2 473137673 ZGHRUJWSYNDBGD-RZDIXWSQSA-N 372.509 3.419 0 1 FGAF COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)ccc1O 299836604 NTSFJJIHHGTJMZ-UHFFFAOYSA-N 363.373 3.300 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(F)cnc(Cl)c2[nH]1 587193451 ANWJAXFMUUGECU-SNVBAGLBSA-N 371.844 3.268 0 1 FGAF NC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580541 SBKHAYKKYYLMMC-PXNSSMCTSA-N 361.353 3.194 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(N)=O)c2)N1 587749332 OCGBTHDODHCPNA-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF O=C(c1ccncc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658138 HYSPOTSWTZKZDZ-UHFFFAOYSA-N 363.323 3.425 0 1 FGAF C[C@H](n1cncn1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756879 FYIDJYAAIIBXAR-HFBDOXOYSA-N 353.239 3.190 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 586936882 BDEYYWWGHYOYTI-LLVKDONJSA-N 373.434 3.005 0 1 FGAF COc1ccc(C2(c3nc4c(O)nc(O)nc4[nH]3)CC3(CCC3)C2)cc1 587934839 GJLMAUDJMSLSAI-UHFFFAOYSA-N 352.394 3.023 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)c3ccccc31)CC2=O 587494750 YNTNZVUGMQBNSD-FQEVSTJZSA-N 372.442 3.383 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1F)O2 587386309 VGLCRBBQSXDNJH-LJQANCHMSA-N 356.397 3.259 0 1 FGAF CC[C@H](C)n1ncc(I)c1-c1nc2ccncc2[nH]1 587181475 RWNLPXFBGSZGKW-QMMMGPOBSA-N 367.194 3.397 0 1 FGAF Nc1ncc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551954 LOMPJDYXSYUTBM-SUMWQHHRSA-N 369.764 3.121 0 1 FGAF O=C(O)c1cc(F)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040630 INKIIKBWRXAKGB-GJZGRUSLSA-N 357.410 3.347 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1[C@H](CC3)CN[C@@H]1C(=O)O 587107731 UTOSYUJXGWQPPY-LIHBSQQNSA-N 370.408 3.149 0 1 FGAF Cc1c(I)cnn1[C@H](C)c1nc2cccc(F)c2[nH]1 587183322 XGHYIHJOSVKLGG-MRVPVSSYSA-N 370.169 3.421 0 1 FGAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)NCc1ccco1 12995481 KUPHXFRSRYRZKW-NLKGSNSHSA-N 351.830 3.017 0 1 FGAF O=C1[C@@H](F)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762628 CTLHGLZELHMPOK-BBRMVZONSA-N 362.351 3.004 0 1 FGAF CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@]21C 6201503 VSGTWMOZGFNRPM-XYBBOFLFSA-N 360.494 3.055 0 1 FGAF C[C@H](NC(=O)Nc1ccccc1)c1onc(-c2cccnc2)c1C(=O)O 2356300905 ZMWCYDQIPLZSFA-NSHDSACASA-N 352.350 3.318 0 1 FGAF CCCN(CCO)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 28360877 FXRAHCPFOBPHPC-UHFFFAOYSA-N 355.482 3.458 0 1 FGAF C[C@@H](N)C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917898 OIEDDWOQRVAKTI-FZIBVVHSSA-N 360.542 3.142 0 1 FGAF COc1cccc2c1CCC[C@H]2NCCN1CCN(c2ccccc2)CC1 22938374 XGTOSEODMLDCBR-JOCHJYFZSA-N 365.521 3.484 0 1 FGAF COc1cccc2c1[C@H](OC)O[C@@H]2c1c(O)ccc2c1C(=O)C[C@](C)(O)C2 2356664101 ICVWZBRYEUFULN-PWRODBHTSA-N 370.401 3.045 0 1 FGAF CC(=O)c1c(C)[nH]c2ccc(OC[C@@H](O)CNCCc3ccccc3)cc12 21167864 ZMSLYCQAKZPYMI-SFHVURJKSA-N 366.461 3.251 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H]4CC[C@@]35CCC[C@@H]5[C@@]3(CCC(=O)O)[C@H]2[C@@]1(O)CC[C@]43C 2356783957 MUGPALRHVRSORL-UWWUQKJBSA-N 359.510 3.281 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 34054663 HFDAIKHXHSHODJ-RSPOEFSDSA-N 352.434 3.154 0 1 FGAF Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Cc3ccccc3)nn12 213528452 AXNHSDHDTJBJKM-UHFFFAOYSA-N 361.453 3.244 0 1 FGAF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(Cl)c(Cl)c1 71340596 OKMODECVUIAURE-BBRMVZONSA-N 357.189 3.097 0 1 FGAF CCCc1c(Cn2ccnc2-c2c(F)cccc2F)ncn2ncnc12 139309082 MKVAHRVYXFGFIW-UHFFFAOYSA-N 354.364 3.267 0 1 FGAF CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)cc1 40950456 SNPSZRHSFIRMEF-UHFFFAOYSA-N 352.481 3.292 0 1 FGAF COc1ccc(C(=O)Oc2ccc([C@@H](O)CNC(C)(C)C)cc2O)cc1 149855752 QFHBVPSXDATXEI-KRWDZBQOSA-N 359.422 3.042 0 1 FGAF COc1cc2cc(NC(=O)/C=C/c3ccc(F)cc3)c(=O)oc2cc1O 299860718 GZZSMEWXANMNQJ-QPJJXVBHSA-N 355.321 3.298 0 1 FGAF C=CN1CC[C@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393175 GNEANTWPTKMBET-JTSKRJEESA-N 362.429 3.430 0 1 FGAF Fc1ccccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1 584904708 GZSRUYQFWHDLJI-UHFFFAOYSA-N 352.413 3.452 0 1 FGAF in-vitro CCOC(=O)[C@@]1(c2ccc(OCC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400511 QEUONRHWMVYHNO-NRFANRHFSA-N 369.417 3.400 0 1 FGAF O=C(N[C@@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1 587218183 GNLAWCWNUGZASP-HNNXBMFYSA-N 363.808 3.477 0 1 FGAF CCCOc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586911047 UYIFWDIQCOPXBR-JTQLQIEISA-N 355.232 3.072 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCOC 587865723 GVIBSCCGGDOQKB-UHFFFAOYSA-N 357.332 3.172 0 1 FGAF CC[C@@H]1OC=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587834759 SOQWNJIHYVOPGC-ABYOOWDOSA-N 354.219 3.209 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2C(=O)O)N1 587789328 CUVFXDJRDOAQRI-NXSYQRQQSA-N 353.191 3.238 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=N)N)cc4[nH]1)(C3)C2 587951019 QCBVHFJWTFOESD-BRRVFRNMSA-N 352.438 3.000 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)CCC(=O)O)N1 587831720 XQPWBYNRLOUSGO-JDNHERCYSA-N 372.234 3.162 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3ccc(Br)nc3[nH]2)n1 587119574 ZNMLKGDURFPMCN-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1OCCO1)C1CC1 587605797 BCFBYMIEZFKXLZ-GHTZIAJQSA-N 368.385 3.266 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cnc(-c2cnn(C)c2)s1 963256151 AOKKOSBLLWXBNP-MRXNPFEDSA-N 360.870 3.441 0 1 FGAF CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(S(C)(=O)=O)cc2)n1 13439562 CZXXPASTKDXVRM-UHFFFAOYSA-N 370.430 3.120 0 1 FGAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCCC5)n4)c3c2)o1 203724537 KTWFLQDWXPMQKC-UHFFFAOYSA-N 361.409 3.247 0 1 FGAF OCCc1ccc(Oc2ccc(O)cc2)c(I)c1 13681051 NWGNKFQRSSQLAM-UHFFFAOYSA-N 356.159 3.324 0 1 FGAF Cc1sc(N2CCOCC2)nc1-c1cc(Br)ccc1O 1514756 HWLWRRJTUXXRPX-UHFFFAOYSA-N 355.257 3.423 0 1 FGAF CCO[C@@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4141154 XGPPFGCXWBDLEJ-TZNCUMHOSA-N 368.470 3.268 0 1 FGAF CC(C)NC[C@H](O)COc1ccc2oc(-c3ccccc3)cc(=O)c2c1 29551343 ITDMHOZFKJXHSK-INIZCTEOSA-N 353.418 3.198 0 1 FGAF O=c1ccc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2o1 27109768 MULLDMIPFVHJIA-UHFFFAOYSA-N 364.445 3.384 0 1 FGAF C[C@@H]1C(=O)OC[C@@H]1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14649599 AVZNYICISHZREJ-FZMZJTMJSA-N 354.358 3.085 0 1 FGAF biogenic C[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 194825006 BIZMIUGITFUEIN-JJOVQBGZSA-N 353.462 3.047 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C 25428233 BUWYGYAYWANLSX-YZGWKJHDSA-N 374.525 3.088 0 1 FGAF biogenic Cn1cc(-c2ccc(CN3CC4(OCCO4)c4ccccc43)c(F)c2)cn1 95592225 WGGGPDGYZIHDGQ-UHFFFAOYSA-N 365.408 3.446 0 1 FGAF O=C(Nc1cnccn1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 147850006 WNJUEIVVEXMBLV-UHFFFAOYSA-N 355.361 3.149 0 1 FGAF COc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1 299823974 ABIZBRXTCBQITR-UHFFFAOYSA-N 371.447 3.416 0 1 FGAF O=C(C1CCCC1)N1C[C@]2(CCCN(C3COC3)C2)Cc2ccccc21 299849832 CFMBJEKZYLDVOB-JOCHJYFZSA-N 354.494 3.247 0 1 FGAF CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2C)N1 299854934 APBSVAVABAHBPR-ZWKOTPCHSA-N 353.853 3.479 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428823 QMTIKGNJLMGNDX-MGPUTAFESA-N 356.349 3.342 0 1 FGAF CC[C@@]1(Cc2nc3c(O)nc(S)nc3[nH]2)CC(=O)c2ccccc2C1 587962302 XBMIESGBVJDHCK-SFHVURJKSA-N 354.435 3.115 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccnc1)CC2=O 587488286 IOSITOGFTYIRLN-FQEVSTJZSA-N 355.390 3.164 0 1 FGAF COC(=O)c1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1OC 587934124 BEMZYRBLNNGJDN-PIGZYNQJSA-N 370.405 3.204 0 1 FGAF CCOC(=O)C(=O)C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523082 NHEBNSKXNOWYIR-OAQYLSRUSA-N 358.434 3.448 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(c4ccccc4OC)C1)[C@@H](C2)C3=O 587434547 AOFXDGJTJPKXJW-YCRPNKLZSA-N 351.402 3.100 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc12 587136110 JZNSIGNWPFSVNF-UHFFFAOYSA-N 358.373 3.310 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174406 PFEQWSXINFIGAK-HXUWFJFHSA-N 367.380 3.032 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@]2(c1cccc(Cl)c1)c1ncco1 963136621 ZVMKHUCSLBRQNB-LJQANCHMSA-N 354.793 3.464 0 1 FGAF COc1cc(OC)cc(OCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 1772620281 BJQQCUSHXXUQKO-UHFFFAOYSA-N 369.373 3.136 0 1 FGAF Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCCC[C@H]1C 5143229 AUAROHUMWYSOIF-GOSISDBHSA-N 367.493 3.018 0 1 FGAF Nc1cc(OCCCNC[C@H]2CCc3ccc(O)cc3O2)ccc1Cl 13775923 AVVHLOOXCWDKCY-MRXNPFEDSA-N 362.857 3.380 0 1 FGAF O=C1N=C2/C(=C/c3ccc(F)cc3)CNC[C@@H]2[C@@H](c2ccc(F)cc2)N1 169729991 HJBLYLSJADESHN-QWXUZBRKSA-N 353.372 3.473 0 1 FGAF C[C@H](CC(=O)NCc1ccc2ncc(=O)[nH]c2c1)c1c(F)cccc1F 1857589070 IUKNRTSVFMUPRH-LLVKDONJSA-N 357.360 3.011 0 1 FGAF Cc1nnc2sc(C(=O)N3CC(c4ccc(F)cc4)C3)c(N)c2c1C 1857754667 BALHCUKTUUNTSK-UHFFFAOYSA-N 356.426 3.269 0 1 FGAF CCCCOC(=O)NC(=O)c1coc2ccc(Br)cc2c1=O 2178738 WDLHHXNMXGDKDF-UHFFFAOYSA-N 368.183 3.222 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@@]4(C[C@H]12)C3=Nc1cc(OC)ccc14 2356304715 CJRRQMKNRICNIF-WYNJWVBZSA-N 364.445 3.003 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 28863966 UFBRQERFYMHTLN-MHORFTMASA-N 361.438 3.462 0 1 FGAF COC(=O)C=C1C[C@H]2[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4C(=O)C[C@@]34O[C@@H]1O[C@H]24 2356782453 FEYZLWQQBSLKES-FYOWVHOFSA-N 360.450 3.021 0 1 FGAF O=c1cc(C(Br)=C(Br)Br)occ1O 2356798002 OSSPDDSBDXFXHX-UHFFFAOYSA-N 374.810 3.156 0 1 FGAF CN(C(=O)C1CCCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71340382 YHXZGXZHSNNBPC-OAHLLOKOSA-N 354.450 3.232 0 1 FGAF CC[C@@H](C)CCN1C(=O)[C@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71333287 UMKRKRDQZNEOFO-SZNDQCEHSA-N 353.418 3.434 0 1 FGAF CC1(C)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2[C@@H]2O[C@@H]21 13311950 VTCPKAZOZJPWSB-OALUTQOASA-N 352.342 3.482 0 1 FGAF biogenic O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc4c(c3)OC[C@@H](CO)O4)cc12 216019582 BRQAEPHTOJCMSJ-SNVBAGLBSA-N 359.765 3.319 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccc(F)cc2)nn1 1911579609 RIIUDBZAFOJISA-YCRREMRBSA-N 369.352 3.092 0 1 FGAF Clc1cccc(-n2cc(-c3ccnc(NCCc4c[nH]cn4)n3)cn2)c1 82039612 YHUKOBXJEMNNGN-UHFFFAOYSA-N 365.828 3.360 0 1 FGAF Cc1nc(-c2ccncc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 141745311 ZKZABYFCGUFHQI-UHFFFAOYSA-N 356.433 3.338 0 1 FGAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 95894592 NNCUELMFBOQLAJ-PWRODBHTSA-N 371.525 3.335 0 1 FGAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO 95877997 CCINGVMSXCWVJW-XJABCFGWSA-N 350.462 3.464 0 1 FGAF COc1cc2c(cc1O)O[C@@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@H](O)C4 43013058 SEIHXYPYVZURAM-CJMONDIMSA-N 370.401 3.085 0 1 FGAF biogenic CCOC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441291 JVIKBVNXVYWQIK-VGOFRKELSA-N 366.413 3.377 0 1 FGAF O=C(O)Cc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1 587962168 UGSRSXQVMNCCSZ-UHFFFAOYSA-N 361.195 3.249 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)cc(C=O)c1O)CC2=O 587490086 QIFIUBUFJLMHNR-GOSISDBHSA-N 354.358 3.382 0 1 FGAF CC[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343547 COCJQRUBFDSAEQ-WHIIXXIBSA-N 369.392 3.175 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1cnn(C)c1)CC2=O 587478928 WVVVFFDEQNWDEY-GOSISDBHSA-N 366.421 3.185 0 1 FGAF CN(c1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1)S(C)(=O)=O 587923953 UUBWGYFLRDCBNZ-UHFFFAOYSA-N 359.476 3.455 0 1 FGAF CC[C@]1([C@@H](N=O)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587743423 WOEZVGQSXFHNST-AFEMSUNCSA-N 373.222 3.036 0 1 FGAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccccc2)[C@@H]1n1cncn1)CC4 587210443 BRTZMIKMGMAWIT-JTHBVZDNSA-N 366.424 3.423 0 1 FGAF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638123 KTNSBKJLIATDOD-UHFFFAOYSA-N 352.346 3.336 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2nccn2n1 587870257 ZLNKOZMNKQNGHC-UHFFFAOYSA-N 360.299 3.004 0 1 FGAF O=C1CC[C@@H]2C[C@@]3(CCN12)c1cccc(F)c1CCN3[C@H]1CCSC1 962713352 RKAHYKWHLQYQAA-SIFCLUCFSA-N 360.498 3.169 0 1 FGAF C(\Cc1ccccc1)=C1/Nn2c(Cn3cnc4ccccc43)nnc2S1 4058232 BTTGCRICNSVCSB-WQRHYEAKSA-N 360.446 3.409 0 1 FGAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1)[C@H](O)C(C)(C)O2 13741490 HMUNNVAXHAZALS-MSOLQXFVSA-N 354.406 3.284 0 1 FGAF COc1cc(O)c2c(c1)O[C@@H](c1c(OC)cc(OC)cc1OC)CC2=O 14643430 JEXUYOSYJIRTIF-QGZVFWFLSA-N 360.362 3.133 0 1 FGAF endogenous,in-man COc1ccccc1-c1ccc([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1 14948187 OHGFYWLFDPZUKX-VHFSOBRXSA-N 356.441 3.363 0 1 FGAF COC(=O)C1=C(C)N=C(C)[C@H](C(C)=O)[C@@H]1c1cccc(-n2ccnc2)c1 169714472 UJAHDTMHZHCWSM-MJGOQNOKSA-N 351.406 3.083 0 1 FGAF COc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@@H]2N=O 169722179 ISDSSVKCDNZSHN-MRXNPFEDSA-N 358.325 3.055 0 1 FGAF O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCCCC1 205766600 VAPHZNNLLMUXPK-UHFFFAOYSA-N 373.420 3.042 0 1 FGAF COc1cc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc(OC)c1OC 1857648490 GQFVWQZTWWJJLE-CMDGGOBGSA-N 352.383 3.296 0 1 FGAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4ccccc4F)c3c2)C1 1857745572 GRVCUTZSHYRYAL-CHWSQXEVSA-N 367.428 3.324 0 1 FGAF CN1CCc2c(n([C@@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc23)C1 2356409605 NDSLNSBNOXPRGO-DHIUTWEWSA-N 358.489 3.460 0 1 FGAF C[C@H](O)CCCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356340775 XZKUIIFETKOPRD-IPMKNSEASA-N 352.471 3.129 0 1 FGAF COc1ccc2c(c1)Oc1ncn(N)c(=N)c1[C@H]2c1ccc(Cl)cc1 103099272 QGXSOHOTPRLEPU-HNNXBMFYSA-N 354.797 3.024 0 1 FGAF O=C(O)c1cn2c3c(cc(N4CCCC4)c(Cl)c3c1=O)SCC2 27525634 SCRRRAHTZXZJNN-UHFFFAOYSA-N 350.827 3.059 0 1 FGAF CCCCC[C@@H](O)c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC 28869279 YDQFLNGWDHFOQX-TUWXGHOOSA-N 364.482 3.379 0 1 FGAF CC(C)(C)c1ccc(C(=O)NCCCc2cc(C(=N)N)ccc2O)cc1 26294564 HNUUJAYPVLTYDD-UHFFFAOYSA-N 353.466 3.336 0 1 FGAF COc1c(O)ccc2c1C[C@H](C(C)(C)O)[C@@H]2CC(=O)c1ccc(O)cc1 2356558737 KERBMEWZYAFFCZ-WBVHZDCISA-N 356.418 3.406 0 1 FGAF COC(=O)[C@@H]1C[C@H]2C(c3ccsc3)=C[C@H]1C(=O)N2Cc1ccccc1 2356727025 DMMZNHOUILDCCN-KURKYZTESA-N 353.443 3.352 0 1 FGAF O=C1NC(=O)/C(=C/c2ccc(OCCN3CCc4ccccc43)cc2)S1 29397070 GXDSYYQKSKUFMH-AQTBWJFISA-N 366.442 3.452 0 1 FGAF O=C(c1ccccc1)c1cccc(OC(=O)N2CCN3CCC2CC3)c1 34335333 RWXSYKQOSPXQQR-UHFFFAOYSA-N 350.418 3.196 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(Cl)cc1)C2 219337236 RWMCDPJSTPDLDR-NSHDSACASA-N 367.840 3.416 0 1 FGAF O[C@@H](COc1ccccc1-c1ccno1)CN1CCc2ccccc2C1 219745294 PMBSSQIJGHCQLH-GOSISDBHSA-N 350.418 3.140 0 1 FGAF COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4C)nc3[nH]2)c1 73157059 XHIGXQJTNWSSII-UHFFFAOYSA-N 361.405 3.200 0 1 FGAF COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(N)=O)cc1 40584683 FHGBXKUFSCOYEJ-LPHOPBHVSA-N 351.406 3.106 0 1 FGAF COc1cc(NC(=O)[C@@H]2COc3ccccc3C2)c(F)cc1-c1cn[nH]c1 40899609 CUMAJJLNPKZLIN-ZDUSSCGKSA-N 367.380 3.414 0 1 FGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3ccc(OC)cc32)c1 40424063 ANSMNFXVUOLHFQ-GOSISDBHSA-N 353.374 3.081 0 1 FGAF COc1c(O)ccc2c1C[C@@H](C(C)(C)O)[C@@H]2CC(=O)c1ccc(O)cc1O 221079478 YDZGKRLTKOOVRI-GDBMZVCRSA-N 372.417 3.112 0 1 FGAF CN(C)CCOCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 82086388 RUFUAJIHXOGKIH-UHFFFAOYSA-N 354.859 3.199 0 1 FGAF COCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82141108 UZUUEDOPZLTGFL-UHFFFAOYSA-N 372.444 3.213 0 1 FGAF CC[C@]1(CCC(=O)OC)CCCN2CC[C@@]3(C(=O)N(C)c4ccccc43)[C@H]21 238767090 YARGJPJBVSIYIX-FCEUIQTBSA-N 370.493 3.119 0 1 FGAF CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21 149219616 VPOBZVBTTIDGGK-UHFFFAOYSA-N 374.444 3.039 0 1 FGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 253638173 HFDAIKHXHSHODJ-FFGOWVMKSA-N 352.434 3.154 0 1 FGAF COC(=O)c1cncc([C@H]2CN3CCc4c([nH]c5ccccc45)[C@]3(C)O2)c1 33832939 VIDAWANJVIEOJY-NQIIRXRSSA-N 363.417 3.152 0 1 FGAF biogenic Brc1ccc(Nc2nc3ccc(N4CCOCC4)cc3[nH]2)nc1 299834383 XKAWYXJIFBFPCJ-UHFFFAOYSA-N 374.242 3.301 0 1 FGAF O=Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 653740687 MZWFSHNLGOBBSZ-OAHLLOKOSA-N 350.378 3.219 0 1 FGAF O=C(Cc1ccncc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661222 UXJVRWOGCVTBPR-UHFFFAOYSA-N 359.360 3.481 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)nc1)CC2=O 587474776 JQLHSULYZXLARS-LJQANCHMSA-N 368.433 3.283 0 1 FGAF O=C1C[C@H](c2nc3cc4c(cc3[nH]2)OCO4)CN1Cc1ccc(F)cc1F 587147967 DOZGNMVCUNRJPV-NSHDSACASA-N 371.343 3.086 0 1 FGAF CC(=O)NC1(c2nc3ccc(OCCN(C)C)cc3[nH]2)CCC(C)CC1 587234112 GDNHULAVKXPFFP-UHFFFAOYSA-N 358.486 3.045 0 1 FGAF COCC(=O)Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587563630 VUMJTIYMFPVOHK-UHFFFAOYSA-N 355.232 3.118 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cnn(C)c1)CC2=O 587474707 HBLHQPDZPZOLRK-QJRAZLAKSA-N 355.438 3.014 0 1 FGAF N[C@@]1(c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587158921 ZCYXQSZBDGSHLS-AYVTZFPOSA-N 365.181 3.340 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587838589 OHCQFXJNGOVZGR-BRKJHEKRSA-N 368.246 3.408 0 1 FGAF N=c1[nH]ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999076 URVTXAAHKZGUOU-OWOJBTEDSA-N 359.183 3.032 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016775 NPUDNSKACDAQSS-AWEZNQCLSA-N 363.464 3.332 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnnc(O)c1Cl 587868860 VAYQJRHDZJFFCC-UHFFFAOYSA-N 371.706 3.111 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)c[nH]1 587255032 VXHINWODRYLMRM-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF C[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587157349 SSMTUNKQIUFQIH-SJLPKXTDSA-N 353.357 3.217 0 1 FGAF CCOC(=O)C(F)(F)[C@H]1CC[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587422985 WKMBOOFNAMEHPQ-SRBZOADZSA-N 366.360 3.180 0 1 FGAF COc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C 1772654477 KKEXCKYPSDRNLD-UHFFFAOYSA-N 365.437 3.130 0 1 FGAF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc(C)c1C 5440993 CTESPVHSEOQRTH-ZMJPVWNMSA-N 363.435 3.003 0 1 FGAF CCCCn1c(=O)c2[nH]c(C(C3CC3)C3CC3)nc2n(CCCC)c1=O 12405426 GMRWZHXYIPEMGX-UHFFFAOYSA-N 358.486 3.390 0 1 FGAF Cc1oc(-c2ccco2)nc1CCOc1ccc(CN(O)C(N)=O)cc1 13603991 NYXFAAJTUYYOIU-UHFFFAOYSA-N 357.366 3.134 0 1 FGAF CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 13813361 IUUJGHBXCLUSHQ-OAQYLSRUSA-N 360.461 3.390 0 1 FGAF C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)C=C(C)C[C@H]2C=C(CC1=O)C(=O)O2 15193648 IKDLSXKDAWUFQE-GOEBONIOSA-N 370.401 3.419 0 1 FGAF biogenic Cc1nn(CCCN(C)C)c2nc3ccccc3c(NCCCN(C)C)c12 169328760 CBQJCQPUEUSQDA-UHFFFAOYSA-N 368.529 3.208 0 1 FGAF COc1ccc(OC)c(NC(=O)N2CCC(CN3CCCCC3)CC2)c1 6877153 XVQAFUUCMOQBKP-UHFFFAOYSA-N 361.486 3.434 0 1 FGAF CCCCCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 101755423 KWPJIRLJRWHTAK-IRXDYDNUSA-N 373.497 3.320 0 1 FGAF CC(C)CC[C@H](C)N1CCC(N2c3ccccc3NS2(=O)=O)CC1 28360001 GIENZHUKUHPSKJ-HNNXBMFYSA-N 351.516 3.452 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3(COC1=O)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356534763 QNKSEHIPPBVETG-BSAXGSAVSA-N 358.434 3.468 0 1 FGAF CC(=O)[C@@H](C)[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2356572063 NYJDPARBGPGZBE-NSPYISDASA-N 370.357 3.267 0 1 FGAF CC[C@H](C)C=CC=CC=C(C)[C@@H]1Oc2ccn(OC)c(=O)c2[C@@H](O)[C@H]1C 2356717540 ASUFHYQPEHRMRK-ZXUOCUECSA-N 359.466 3.442 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356748124 WMARPMGAWBBRNK-MAUKXSAKSA-N 353.397 3.251 0 1 FGAF CC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356846760 OQKDUCUGFCYSMH-FQEVSTJZSA-N 363.417 3.081 0 1 FGAF O=C(OCc1ccccc1)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 34817201 IFWNSOOZKNUHBR-RDTXWAMCSA-N 372.218 3.402 0 1 FGAF CC(C)C(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103456 HINMXWWJEWHULN-GOSISDBHSA-N 358.873 3.020 0 1 FGAF CC(C)(C)NC(=O)[C@@H](COCc1ccccc1)OC(=O)c1ccccc1 34170548 BDNIUYNQZBZUQU-GOSISDBHSA-N 355.434 3.344 0 1 FGAF COc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 14648179 UZKPAEYMUOTYEF-ZCNNSNEGSA-N 372.417 3.143 0 1 FGAF biogenic Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)oc1C 82164509 ZNZQXMXSQSCJIA-UHFFFAOYSA-N 354.385 3.391 0 1 FGAF CCO[C@@H]1OC(C(=O)N2CCCC2)=C[C@H](C2CCCCC2)[C@H]1CCCO 95784286 HGODBBDOEKZAFE-DBXWQHBBSA-N 365.514 3.471 0 1 FGAF COc1cc(-c2nc(-c3ccccc3O)cnc2O)cc(OC)c1OC 299827398 GKRMHRGOHYYUBY-UHFFFAOYSA-N 354.362 3.248 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 586973978 SPUMWGHGWYIJKW-GFCCVEGCSA-N 361.858 3.069 0 1 FGAF CCN1C(=O)C[C@@H](c2nc3cc(=N)[nH]cc3[nH]2)[C@@H]1c1ccccc1Cl 587061640 PHNULGPVRZDHIU-DIFFPNOSSA-N 355.829 3.101 0 1 FGAF CC[C@@]1(Cn2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344646 XIKVXVZYAGWCDB-QUCCMNQESA-N 367.380 3.331 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]41)[C@@H](C2)C3=O 587445966 ZNHZOQSZFFFTEN-IZDPWWDOSA-N 371.433 3.068 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3nn[nH]n3)c1)CC2=O 587485611 PREMZGYCWODRHG-KRWDZBQOSA-N 350.378 3.231 0 1 FGAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CN1C 587346643 SGIWEWUAHPFWFF-CTNGQTDRSA-N 367.376 3.047 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccn3)C[C@@H]1C)O2 587393025 FRTIHYWQPHKJFD-BTYIYWSLSA-N 351.450 3.218 0 1 FGAF COC(=O)c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 587177956 IWHPKWFQMDHXCH-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCOC 587866014 AVVVYAMMLCFCLX-UHFFFAOYSA-N 373.400 3.337 0 1 FGAF CCOC(=O)[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514856 KMWBBZURJUBBEK-OAQYLSRUSA-N 351.402 3.384 0 1 FGAF CC(C)OC(=O)C1(c2nc3cc(Br)cnc3[nH]2)CC(F)(F)C1 587130992 UVQAMNWQNXFFMZ-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587051826 FPVRGCSFLIZROG-CQSZACIVSA-N 373.840 3.270 0 1 FGAF CCSc1ncc2cccc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)n12 962903413 XEKNZVFDLFKXSY-RDJZCZTQSA-N 371.437 3.274 0 1 FGAF COC(=O)c1ccc(O)cc1[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962641694 TZCOTKOJWLOREI-MPBGBICISA-N 371.433 3.162 0 1 FGAF COc1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c(OC)c(OC)n1 963108235 OKWHCHMWJORBLN-FZKQIMNGSA-N 358.413 3.356 0 1 FGAF COc1cc([C@]2(C)NCCc3c2sc(C)c3C)ccc1S(C)(=O)=O 963007778 IGQUQFCUCBCWGN-SFHVURJKSA-N 365.520 3.186 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCCCC[C@@H]2C(=O)C(F)(F)F)N1 962904922 OCRCHIBXIXTDDD-BTJLNZGRSA-N 373.346 3.332 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 13718949 DZUXGQBLFALXCR-STMPAYTASA-N 356.503 3.267 0 1 FGAF Fc1cc(Br)cnc1Nc1ccc([C@H]2CNCCO2)cc1 150035775 XGTRWNVAQVKCGX-CQSZACIVSA-N 352.207 3.388 0 1 FGAF O=c1n(CCc2ccccc2)c2cccnc2n1-c1ccc2c(c1)OCO2 169316536 PCQMQYAHAXJYPA-UHFFFAOYSA-N 359.385 3.159 0 1 FGAF CC(C)C[C@H]1NC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727263 IZDXXXQMBXLHDT-MSOLQXFVSA-N 356.466 3.403 0 1 FGAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@@H]3N)cc3ccnc(O)c23)c1 1857607013 VGCGSJJJHOPEEF-DLBZAZTESA-N 363.465 3.491 0 1 FGAF C[Si](C)(C)c1c(-c2ccccc2)noc1-c1ccc(S(N)(=O)=O)cc1 1857774242 AUYHSCSTFPNUBB-UHFFFAOYSA-N 372.522 3.201 0 1 FGAF CC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3 588521 GHWNYSISFQXZTR-UHFFFAOYSA-N 350.394 3.464 0 1 FGAF COc1c(OCC=C(C)CC[C@@H](O)C(C)(C)O)ccc2ccc(=O)oc12 2356379611 AGIAPQOXXWKVOJ-MRXNPFEDSA-N 362.422 3.039 0 1 FGAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C 4217209 ZLLOIFNEEWYATC-XMUHMHRVSA-N 364.869 3.375 0 1 FGAF in-man COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)C1=C(O)OCC1=N2 101271285 RUFRGBFWGWTXGX-GOSISDBHSA-N 367.357 3.450 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@H](C2)N1 100632165 LKNYHWXHAONTOU-CXAGYDPISA-N 352.459 3.360 0 1 FGAF COc1ccc(-c2nc(C(N)=O)c(C)o2)c2ccc(C(F)(F)F)nc12 28950188 KMRDQGIPJIIMTI-UHFFFAOYSA-N 351.284 3.325 0 1 FGAF 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374.400 3.187 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Br)c2[nH]1 587225246 OGWXISDLMBKIRJ-LLVKDONJSA-N 374.238 3.409 0 1 FGAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OCC(=O)O)=CO1 587534473 DXSGONCGIIOVPN-HXUWFJFHSA-N 356.374 3.146 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)CCC(=O)O)N1 587827314 KIDNDKLOXZYINB-XXFAHNHDSA-N 372.234 3.162 0 1 FGAF CCn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587578674 BBFHXSZIAKWCFW-YLJYHZDGSA-N 350.374 3.486 0 1 FGAF Brc1ccc([C@@H](c2nc3cnncc3[nH]2)N2CCCC2)cc1 586983901 AMKDZMXFTCWHLT-HNNXBMFYSA-N 358.243 3.301 0 1 FGAF Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587587066 FIXXFLMOZNDRHF-QFBILLFUSA-N 365.341 3.430 0 1 FGAF COc1cc(OC)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587175353 YOYRLCBKSAAEEG-IBGZPJMESA-N 356.353 3.348 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C 587768056 ZRLSXFCYGTZGOT-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Cl)c(Cl)c1OCC3 587368251 FFQHNZAOIHNGGJ-UHFFFAOYSA-N 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PHUBIMLGHWQIOD-GFCCVEGCSA-N 363.874 3.099 0 1 FGAF CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 1893441 RLVXKBWSOQJYMG-UHFFFAOYSA-N 365.905 3.099 0 1 FGAF COc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c(OC)c1 101444596 GMOVHKOPYDCRKI-HZPDHXFCSA-N 370.449 3.222 0 1 FGAF C[C@]1(C(=O)Nc2ccccc2F)CCN1C(=O)Cc1cc(F)ccc1F 61897930 XIQQDJGIIYQBOG-LJQANCHMSA-N 362.351 3.276 0 3 FGAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCOCC3)cc12 118599644 GFSSAAYYIYDECC-UHFFFAOYSA-N 350.831 3.019 0 1 FGAF O[C@@H](c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26010422 CSFMHUPEOLNPQD-IRXDYDNUSA-N 364.232 3.206 0 1 FGAF O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2n[nH]cc21 28948406 GQVQHZLEHMPPJD-GFCCVEGCSA-N 368.412 3.315 0 1 FGAF COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1 28635298 UNOGZCNQPVUIQG-NZQKXSOJSA-N 365.473 3.101 0 1 FGAF COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C 28528455 CBTNAKGKQQLTCL-UHFFFAOYSA-N 373.428 3.221 0 1 FGAF C[C@H]1C[C@H](C)[C@H](O)[C@@H]([C@H]2C[C@@H](CC(=O)NCc3ccccc3)CC(=O)O2)C1 27624447 IVTAHNQJAAUGMY-HKLUGWSVSA-N 373.493 3.058 0 1 FGAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccccc1Cl 66252460 RTZPTMGDQILJSG-IGNZVWTISA-N 360.793 3.134 0 1 FGAF O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 72182902 OXPVGBYDQUCGMX-JTJHWIPRSA-N 370.493 3.257 0 1 FGAF CCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40897712 MZLKRCNMPJIDPD-ZFWWWQNUSA-N 366.849 3.091 0 1 FGAF Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1c(F)cccc1F 43019707 AJMKBYBCWYRLEF-UHFFFAOYSA-N 362.282 3.357 0 1 FGAF CC(C)Oc1cc(N2CCO[C@@H](C)C2)nc2c(-c3cc[nH]n3)nccc12 1911572990 KPLXVXUXEGJFFZ-ZDUSSCGKSA-N 353.426 3.032 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCC)cc1 1911584017 CERDRTXQASZEFF-QGZVFWFLSA-N 355.390 3.049 0 1 FGAF COC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96173026 BZDADQBFQJCTSC-CQSZACIVSA-N 367.449 3.288 0 1 FGAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(Br)cc1 96248449 YRXUATCBFOOCNO-GOEBONIOSA-N 351.288 3.454 0 1 FGAF COC(=O)c1c(O)cc2c(c1C)Oc1c(C)c(OC)cc(C)c1C(=O)O2 32289044 TXLRRTYAEXHCQV-UHFFFAOYSA-N 358.346 3.438 0 1 FGAF biogenic O=C(NC1CCCCC1)C1=Cc2cc(Br)ccc2S1(=O)=O 473153340 AOCSKXFOMLYFMV-UHFFFAOYSA-N 370.268 3.026 0 1 FGAF C[C@@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)Cc2ccc(F)cc2C(=O)O1 587174141 NFPSIPZVGAFLIB-FQEVSTJZSA-N 365.364 3.215 0 1 FGAF CC(C)C[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 586900248 BPXZMFBMTWOLHK-ZETCQYMHSA-N 365.602 3.295 0 1 FGAF COC(=O)Nc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cn1 587244441 FNJGKQXGYDYWTP-UHFFFAOYSA-N 363.171 3.271 0 1 FGAF CNS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533440 UDLUBIXCOGQXFX-IBGZPJMESA-N 371.458 3.180 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3c(C)nc(C)cc3[nH]2)C(F)(F)F)n1 587094906 WBHNZGRWFAWGKU-AWEZNQCLSA-N 356.373 3.332 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)cc1F)O2 587384899 KOWLIHKQKAEIMI-HXUWFJFHSA-N 369.440 3.175 0 1 FGAF Cc1noc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587793824 LKSXKLDFXQLADH-AYVTZFPOSA-N 354.223 3.272 0 1 FGAF O=C(Cn1cc(Br)cn1)n1nc2cc1Oc1ccc(F)cc1-2 587872872 SBCYDXAYBVACRD-UHFFFAOYSA-N 363.146 3.094 0 1 FGAF O=C(CSCc1nc2ncc[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 587113293 GLTCHZUEOJZZEZ-UHFFFAOYSA-N 367.356 3.195 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cs1 587022456 XCSJAIBZTXRRQU-UHFFFAOYSA-N 358.477 3.133 0 1 FGAF CN1CC[C@](C)(O)[C@@H]([C@@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962711877 QRUZAEQQJWPAPS-SLFFLAALSA-N 360.523 3.317 0 1 FGAF Cc1ccccc1CCS(=O)(=O)n1c(O)nc2ccc(Cl)cc21 1772596858 PRGDJFRHNCCTOD-UHFFFAOYSA-N 350.827 3.124 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H]3CCCOc4ccccc43)ncc12 209345336 QIXJAFUXGLJYAI-ZDUSSCGKSA-N 353.382 3.002 0 1 FGAF O=C(Cc1ccncc1Br)NCCc1c[nH]c2ccccc12 4030100 NWQLQBBPFCOFGZ-UHFFFAOYSA-N 358.239 3.227 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1[C@H](O)C[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356460115 JYNXJPVNPSRXFL-FYDYODECSA-N 362.466 3.313 0 1 FGAF CCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1 6559662 MSZJNNMULKOVET-UHFFFAOYSA-N 365.505 3.308 0 3 FGAF Cc1noc(NS(=O)(=O)c2ccc(Cl)cc2)c1Br 26480604 SFQDXKJHXJMGNZ-UHFFFAOYSA-N 351.609 3.200 0 1 FGAF COc1cc(C[C@H](O)[C@@H]2CCC[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 2356398494 TWMAEJHJSZFXRX-FHWLQOOXSA-N 374.433 3.329 0 1 FGAF CN1CCC(O)(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)CC1 28252260 OOAUZVINOYZTAF-UHFFFAOYSA-N 353.397 3.456 0 1 FGAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@]2(O)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 2356750999 GSBOBEMEYQTIDQ-YTSPFOIKSA-N 362.510 3.294 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@]3(C)[C@@H]4CC[C@@H]5CN(C)C[C@@]54[C@H](O)C[C@H]23)C1 2356767783 HQTAZQNFEIWFII-JVIHYPEDSA-N 358.570 3.440 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccccc3F)n2)=CN1 2356854795 SIZZTWVHXOEWCY-QGZVFWFLSA-N 368.436 3.097 0 1 FGAF COc1ccc2c(c1)OC[C@H](Cc1ccc(OC)c(OC(C)=O)c1)C2=O 3198883 BXJAMTIXSSLKAH-AWEZNQCLSA-N 356.374 3.063 0 3 FGAF biogenic,in-vitro Nc1nc(N)c2c(CNc3ccc4c(c3)[C@@H](O)c3ccccc3-4)coc2n1 38963063 AVCHGHBDBVGAHD-KRWDZBQOSA-N 359.389 3.061 0 1 FGAF O=c1cc(-c2ccc3[nH]ncc3c2)nc2nc(-c3cccc(Cl)c3)[nH]n12 219605563 XSOFJVDGHHCKIT-UHFFFAOYSA-N 362.780 3.281 0 1 FGAF O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 40403384 NIXIHSCMKWWEOU-NHCUHLMSSA-N 353.437 3.249 0 1 FGAF O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 40011733 AFAREPVJWRKKRW-MRXNPFEDSA-N 355.413 3.386 0 1 FGAF CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2c(C)nn(C)c21 95598364 XKFBHGPWMSXLFC-UHFFFAOYSA-N 366.465 3.164 0 1 FGAF COc1cc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO)cc(OC)c1 254042287 DQYCNHBELXAHGU-HBMCJLEFSA-N 356.418 3.278 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccncn4)s1)[C@@H](C2)C3=O 587454703 ZUQPDZFYPIESJV-APPDUMDISA-N 351.387 3.097 0 1 FGAF COC(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 587065153 LLIBMQRCLJSVJY-UHFFFAOYSA-N 374.780 3.403 0 1 FGAF COC(=O)c1ccnc2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc12 587026140 AWVXTJPXSZJGJG-UHFFFAOYSA-N 354.391 3.360 0 1 FGAF Cc1cc(=NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]o1 587509633 DNBRLVQAIOAVCF-FQEVSTJZSA-N 354.406 3.036 0 1 FGAF O=C(O)c1ccc(-c2cc(-c3nc4cnnc(O)c4[nH]3)ccc2F)cc1F 587139001 ZCCWZTUDURYLND-UHFFFAOYSA-N 368.299 3.369 0 1 FGAF COCCN1C(=O)C[C@]2(C=C1C)CC(=O)c1ccc3c(c1O2)CCCC3 587517398 MOSJKFHQMHDMOA-NRFANRHFSA-N 355.434 3.052 0 1 FGAF O=C(O)[C@@H]1CCCCC[C@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963229850 QFSNXHSGWCQETC-XMLVGPMBSA-N 368.433 3.084 0 1 FGAF CCOc1ccccc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772633761 YIDJOZVPPSJUNK-MRXNPFEDSA-N 353.378 3.445 0 1 FGAF CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1 5066512 WKONUDRQIOMMMO-UHFFFAOYSA-N 356.809 3.234 0 3 FGAF CCCn1ncc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1C 11718341 LWQVAHUXMMAZDG-GOSISDBHSA-N 372.488 3.477 0 3 FGAF S=C(NCc1ccccc1)c1nc[nH]c1C(=S)NCc1ccccc1 13219498 PQWLYYNMBVOUHD-UHFFFAOYSA-N 366.515 3.340 0 1 FGAF COC(=O)C[C@@H](CCc1ccc(C(=O)OC)cc1)c1cccc(C(=N)N)c1 13776589 YJHQJYCQSFPDGI-QGZVFWFLSA-N 368.433 3.037 0 1 FGAF COC(=O)C1=C(C)N=C(C)[C@@H](C(C)=O)[C@@H]1c1cccc(-n2ccnc2)c1 169714471 UJAHDTMHZHCWSM-HKUYNNGSSA-N 351.406 3.083 0 1 FGAF CCCCNC(=O)[C@H](C(C)=O)N(Cc1c(Cl)cccc1Cl)C(C)=O 205862676 FHOXKLCKZBFZCD-INIZCTEOSA-N 373.280 3.216 0 3 FGAF Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCNCC2)cc1 1857775263 LFEFWBNPLNQCGI-UHFFFAOYSA-N 367.884 3.332 0 1 FGAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1cccc(O)c1)c1ccccc1 101644922 HNKCQIBPNBWSJP-YXYSEUPNSA-N 367.445 3.278 0 1 FGAF CC(C)(Oc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2 100387710 GIFJUNAMCWBYRP-CGABQSEVSA-N 357.450 3.240 0 1 FGAF Cc1cc(C(C)C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 27990375 RPZWNMAZDGKOIH-UHFFFAOYSA-N 361.531 3.419 0 1 FGAF COc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)n4)cc3[nH]2)c1 73156110 LRMGXVOBRWPUFG-UHFFFAOYSA-N 373.416 3.146 0 1 FGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NC1CCCCC1 73196101 BRRGPWRKDIBWQE-SFHVURJKSA-N 355.438 3.110 0 1 FGAF CO[C@H]1C[C@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 40753966 GLJYOQVDANSTQF-NQANIHDXSA-N 352.386 3.115 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 238781815 MQNDIFGHQSDIOB-ZQONDGBOSA-N 374.477 3.432 0 1 FGAF Cc1noc(C[S@](=O)C[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 253695324 DYTIBVLSVQCIHS-FMTLSIPGSA-N 367.902 3.016 0 1 FGAF CCCc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 261191061 ZDPYDAFWMQLOPF-MGPUTAFESA-N 368.481 3.284 0 1 FGAF Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473104891 PKNDKNOTAPATHZ-CYBMUJFWSA-N 361.369 3.312 0 1 FGAF COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1 653688546 OVQWMMXRNSKSNL-UHFFFAOYSA-N 355.375 3.164 0 1 FGAF COc1ccc(OC)n1-c1cc(Br)cnc1Br 587939573 GQNXWYJNIDCEDW-UHFFFAOYSA-N 362.021 3.415 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)cc1OC)[C@@H](C2)C3=O 587443252 MRSCJXGTPPHIDP-RBZFPXEDSA-N 356.374 3.081 0 1 FGAF COC(=O)c1[nH]c2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437633 IALHZXRCVXVOOE-XCLFUZPHSA-N 363.369 3.452 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)([C@H](C)CC(=O)O)O2 587388400 BRWYAZWSFSTNIN-MPBGBICISA-N 354.406 3.131 0 1 FGAF Brc1cccn2ncc(-c3nc4cc5c(cc4[nH]3)OCO5)c12 587006931 SINJDQSVRWIPFB-UHFFFAOYSA-N 357.167 3.369 0 1 FGAF CC(=O)c1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651909 GWLIIMGNUMZTPS-LBPRGKRZSA-N 370.792 3.360 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3cccnc23)N1 587796098 PEYFKAQOIXFYPP-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587156785 PVEJIFDNWCKSNS-VBKZILBWSA-N 353.397 3.149 0 1 FGAF COC(=O)c1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)ccc1F 963072933 ZXPYWEYGIAPYRY-IBGZPJMESA-N 366.392 3.404 0 1 FGAF CCOCOc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963030387 NMWOSPBFNKDDJC-VFNWGFHPSA-N 352.434 3.202 0 1 FGAF Cc1c(O)ccc2c1[C@](c1cccc(F)c1)(C(F)(F)F)N[C@H](C(=O)O)C2 963465315 BORFBVUGHHPROZ-SUMWQHHRSA-N 369.314 3.245 0 1 FGAF CCn1cnc(Cl)c1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759655 CPMPASAWYRVMQI-NEPJUHHUSA-N 357.763 3.292 0 1 FGAF CCOC(=O)c1c(NC(=O)N(CC)CC)sc2c1CCN(CC)C2 13443763 UHJOCRKRCYIHJB-UHFFFAOYSA-N 353.488 3.177 0 1 FGAF O=C(O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1 13634778 NICMVQKDZOBTSA-SWLSCSKDSA-N 371.227 3.037 0 3 FGAF C[C@@H]1C=C(C(=O)NCc2ccccc2)O[C@H](OCc2ccc(CO)cc2)C1 13634947 NJJYIYXRFCPOLV-IERDGZPVSA-N 367.445 3.278 0 3 FGAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2 13806882 NKJVDKFKDYMREK-NRFANRHFSA-N 361.489 3.493 0 1 FGAF Cc1ccc(/C=C2\CNC[C@H]3[C@H]2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 169308430 YQCQZYAJJOSYON-GOOLVFAVSA-N 363.530 3.494 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2[C@H](O)C[C@]24C(=O)O[C@@H](C)[C@H]2CC[C@@H]34)C1 152946336 ZKTGMDBHJUPSRY-ROXWZJRVSA-N 359.510 3.050 0 1 FGAF COc1ccc(N(C(=O)NCCCn2cncc2C)C2CCC2)cc1OC 1857617332 BZAIUVRMAVNUQS-UHFFFAOYSA-N 372.469 3.368 0 1 FGAF COC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1CC(=O)c1ccccc1 1857654311 XQPGFCYYNVKGAX-AWEZNQCLSA-N 357.793 3.432 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1C[N@]1Cc1cnc2ccccc2c1 1857742859 RSCCYLZMGZEXKU-SXBQZSJRSA-N 362.355 3.250 0 1 FGAF COc1ccccc1-c1cn2ccc(-c3nc4c(C)ncc(C)n4n3)nc2n1 1857746848 BZIDWORUFFLNGU-UHFFFAOYSA-N 371.404 3.126 0 1 FGAF CC[C@@H](C)NC(=O)CN1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 4972147 YAUOAXGFZRFVIU-CVEARBPZSA-N 363.461 3.174 0 1 FGAF Nc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@H]1CCc3ccccc3C1=N2 53247002 AECMDTLIMQWHQN-CVEARBPZSA-N 356.433 3.491 0 1 FGAF CC(C)Cc1sc(Br)nc1-c1ccc(P(=O)(O)O)o1 66102762 NQCCBLZEGQMRKQ-UHFFFAOYSA-N 366.173 3.167 0 1 FGAF Cc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1 62241957 BHMYLUVZDOIZTR-UHFFFAOYSA-N 356.422 3.492 0 1 FGAF CC(C)(C)NC(=O)NC(=S)NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 28565977 RETQUNDTWBSXKR-APPZFPTMSA-N 366.314 3.076 0 1 FGAF CC(=O)O[C@]1(C)CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC(=O)O 2356501854 OZPCMTCOECGYQW-CJBAZIHXSA-N 354.443 3.480 0 1 FGAF C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 20387424 RMDHLNCVMLJHSG-PGRDOPGGSA-N 370.493 3.072 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C(=O)O 2356756866 XRNBWDCHEVBWJH-CTXHMNPMSA-N 362.422 3.017 0 1 FGAF CCC=CCC=CC[C@H](O)[C@@H](O)C=C[C@H](O)CC=CCCCC(=O)O 2356792861 GWRXSUUNZUWJCL-QYZOEREBSA-N 352.471 3.129 0 1 FGAF CN(CC[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)O)c1ccccc1 2356817894 DOMKWKYHLRXQKF-SJORKVTESA-N 370.449 3.359 0 1 FGAF COc1c2c(cc3c1[C@H](O)[C@H](O)[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885801 DDLGTXKGHBSIRU-GBESFXJTSA-N 354.402 3.407 0 1 FGAF biogenic COc1cccc(NC(=O)C[C@@]2(C)N=C(c3cccc(OC)c3)N(C)O2)c1 74374018 IUPWVMLWZHLOKX-FQEVSTJZSA-N 369.421 3.072 0 3 FGAF CCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085747 FXOIZVQPBRSMKC-UHFFFAOYSA-N 365.433 3.483 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[C@@H]2CCCCN2CC1 40466808 BHLFSULBTRYLAE-OLZOCXBDSA-N 351.878 3.068 0 1 FGAF CN(C)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 40505013 HHKBMXFGACWMEA-UHFFFAOYSA-N 357.435 3.032 0 1 FGAF CCN(C)c1cnc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)cn1 145418837 WKOWIUGYPIXNRD-UHFFFAOYSA-N 351.439 3.182 0 1 FGAF CC(C)(C(=O)O)[C@H]1CC[C@]2(C)O[C@@](C)([C@H]3CO3)CC[C@H]2[C@]1(C)CC(=O)O 95911471 OQHHMEQHMAJSTD-CMKQGYTDSA-N 368.470 3.331 0 1 FGAF biogenic,in-vitro Cn1c(=O)n(C)c2cc3c(cc21)CCC[C@@H](NCCCc1ccccc1)C3 653842140 POELJSDUJBIBGG-HXUWFJFHSA-N 363.505 3.347 0 1 FGAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cnc(Cl)[nH]c-2n1 587120362 FXYVWVRNXQKNPM-UHFFFAOYSA-N 356.617 3.386 0 1 FGAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155003 IDWVYUWXVOQPKP-GFCCVEGCSA-N 350.151 3.250 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806079 JBNHWLKBTACQLC-RBIVETJNSA-N 356.235 3.291 0 1 FGAF Cn1cc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516253 BIAUPLKLKCQAEM-FQEVSTJZSA-N 354.406 3.024 0 1 FGAF COc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(OC)c1O 587784613 BHFAQCSEGFPIDA-UHFFFAOYSA-N 354.341 3.278 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(CCc3ccccc3Cl)[nH]c12 587058132 DNLQZRSRDMUWPO-UHFFFAOYSA-N 363.870 3.252 0 1 FGAF CN1CCN(c2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)CC1 586881727 YQGLGCUQGVJKTH-TWGQIWQCSA-N 362.433 3.080 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)sc3c1CCN(C)C3)O2 587415559 USUASCUDXQBMDE-LJQANCHMSA-N 357.479 3.089 0 1 FGAF COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C(C)(C)C 12478825 YRCUKKDZJNGLQE-NSHDSACASA-N 365.373 3.112 0 3 FGAF CCc1c(-c2cccc(N3CC[C@@H](NC)C3)c2)nc(O)c2c(O)nsc12 1857599784 JKCDBRISYIMVKY-GFCCVEGCSA-N 370.478 3.130 0 1 FGAF COc1cccc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)c1 1857638157 OOISEJVPNVNTNP-UHFFFAOYSA-N 356.495 3.226 0 1 FGAF O=c1ccc2ccc(OCCCCCCCCN3CCNCC3)cc2o1 1857769874 NBAQTMDJRTZJJT-UHFFFAOYSA-N 358.482 3.418 0 1 FGAF O=c1c2ccccc2nc(CSC2=NCCN2)n1-c1ccc(Cl)cc1 1848289 SGKWHBSVJOTFER-UHFFFAOYSA-N 370.865 3.232 0 1 FGAF C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 8551464 JKKFKPJIXZFSSB-DFGXFYAUSA-N 350.436 3.293 0 3 FGAF in-man COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc(CN3CCCC3)c1)C2 28344307 NUMFIFAWUVMOKJ-NRFANRHFSA-N 367.445 3.486 0 1 FGAF CC(=O)CCC=C(CO)CC[C@@H]1[C@H](C(C)(C)O)CC[C@]1(C)CC(=O)O 2356765829 RFCAZPGZLODABO-MBOZVWFJSA-N 354.487 3.333 0 1 FGAF CCCNC(=O)c1nnc2c(-c3cc(C)ccc3OC)cccc2c1N 71282274 GTGGDPMSPFTXEJ-UHFFFAOYSA-N 350.422 3.336 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3c(O)cc4occc4c3O[C@@H]1CO2 14585546 WEMVDFMZCALBHH-SJORKVTESA-N 368.341 3.276 0 1 FGAF biogenic O=C1c2cc(O)cc(O)c2[C@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 14638034 BADTYSQKXNDGFG-RTBURBONSA-N 364.353 3.327 0 1 FGAF biogenic COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@H]2C)cc1 72139397 OLMZXXONJXEDFB-LIRRHRJNSA-N 368.433 3.332 0 1 FGAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccc(F)c(Cl)c2)c1 89469266 FJOJJPMESMLVFC-UHFFFAOYSA-N 359.792 3.085 0 1 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cccnc4)CC3)CC2)nc1 253712164 SIDPGTZGVQNXLM-WGSAOQKQSA-N 366.513 3.055 0 1 FGAF COc1ccc(-c2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)o2)cc1 621429333 HLUJTXPBVGRYCS-QGZVFWFLSA-N 351.402 3.289 0 1 FGAF COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C=O)Cc2ccco2)cc1 36499475 WTXUWOXTOQKVAV-FQEVSTJZSA-N 370.449 3.437 0 1 FGAF biogenic Cc1cc(C)c(C)c(OCc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 299827852 ILHUTKMRFJGQGA-UHFFFAOYSA-N 358.467 3.348 0 1 FGAF CC(=O)Oc1ccccc1[C@H]1CC(C)=NN1C(=O)CN1CCCC[C@H]1C 653735413 ABQIAKCWWIJKJZ-CRAIPNDOSA-N 357.454 3.136 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cccnc3n2)N1 587776557 XYDWZSFOQNRZNB-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(OC)cc1F 587637362 HJWTWAIPVSCVRI-UHFFFAOYSA-N 371.320 3.031 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)cc(C)c2[nH]1 586950708 BAQQDPZFRNRFQZ-UHFFFAOYSA-N 356.860 3.328 0 1 FGAF COc1ccc(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c(O)c2)cc1OC 587926528 IQFKQKSNTSUEFE-UHFFFAOYSA-N 362.389 3.427 0 1 FGAF CCCCOc1cc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br 587235297 MYNKIDAGIIDOJD-UWVGGRQHSA-N 366.259 3.354 0 1 FGAF COc1cc(-c2nc3cccc(C(=O)O)c3[nH]2)nn1-c1ccccc1F 587156453 OGZPZVMIVHBSIF-UHFFFAOYSA-N 352.325 3.262 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587233262 LNINWCKTQWPLDY-UWVGGRQHSA-N 357.414 3.306 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587799232 RHFJJZGTUOREKP-VCJARVCASA-N 356.235 3.363 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586890911 PQMBQMDSWQRMGL-WZFJYNIESA-N 359.495 3.281 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCC(=O)N4CCc5cccc1c54)[C@@H](C2)C3=O 587437563 GYAGORHXJGXTGE-AOMKIAJQSA-N 361.397 3.021 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587117963 YKVWUSMEJXGGHS-UHFFFAOYSA-N 362.670 3.473 0 1 FGAF CCOC(=O)c1cnn(-c2ncnc3cc(-c4ccccc4)sc23)c1N 958064426 WTDLDIQSUCFVGU-UHFFFAOYSA-N 365.418 3.303 0 1 FGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC(Cl)(Cl)C2(O)O)N1 962953821 WJXKDMYYQHMCLM-BZNIZROVSA-N 369.292 3.326 0 1 FGAF CCOc1ccccc1C[C@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962924682 LKJKZYWYCPYJEX-QFIPXVFZSA-N 352.478 3.391 0 1 FGAF COc1ccccc1C(=O)N[C@H]1CCCCN(Cc2ccc(C)cc2)C1=O 200052410 FWSJVNMICJTKCJ-IBGZPJMESA-N 366.461 3.315 0 3 FGAF Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)nc(C)n1 12203589 ZLOKMVYLBQNNBQ-INIZCTEOSA-N 365.412 3.226 0 3 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCC(=O)O 13328430 ZOCFIYOANZRNDX-NZPNELMESA-N 354.487 3.043 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)nc2ccccn12 1857605394 ILLNVTOHNVMYAG-UHFFFAOYSA-N 372.375 3.395 0 1 FGAF CC(C)=CC[C@@]12C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 1857651772 GJXMVHQUWFXLHQ-UDKICSLYSA-N 367.493 3.178 0 1 FGAF O=C(c1ccccc1F)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 724124 PQXPLEUFMBVPMF-INIZCTEOSA-N 352.287 3.327 0 1 FGAF C[C@]1(O)C[C@H](C(=O)O)[C@@H]2CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1 2356425902 MSGBRRFYWMOJJU-NOEUILHLSA-N 362.422 3.162 0 1 FGAF CN1CCC[C@H](n2c(=N)n(CCOc3ccccc3)c3ccccc32)C1 101115542 ABXUMKVAMHHHCW-KRWDZBQOSA-N 350.466 3.268 0 1 FGAF O=C(NC1CCCCC1)[C@H](c1ccccc1)N1CCC2(CC1)OCCO2 58012645 JKWIZPLNSDXSNA-IBGZPJMESA-N 358.482 3.016 0 3 FGAF COc1ccc(-c2c(-c3cc4c(c(OC)c3OC)OCO4)noc2N)cc1 103265711 JFPMMWDHYKMTKQ-UHFFFAOYSA-N 370.361 3.345 0 1 FGAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](Cc2ccc(O)cc2)O3)S1 26957088 FWRGMNJCWPVFBZ-SJLPKXTDSA-N 369.442 3.223 0 1 FGAF CCC(CC)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O 26279362 LFRQDTGNFOZLCA-UHFFFAOYSA-N 352.452 3.342 0 1 FGAF CCN(Cc1ccccc1)C[C@H](O)COc1cc(C)c2[nH]c(=O)ccc2c1 27183299 LMNJKQLYRWKDOV-IBGZPJMESA-N 366.461 3.098 0 1 FGAF CN1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1 36338818 OLLCPXMBOYVHAF-UHFFFAOYSA-N 350.491 3.457 0 1 FGAF Clc1ccc(OC[C@@H]2CN(Cc3c[nH]c4ncccc34)CCO2)cc1 38930836 HBYJIVNHTWIKJQ-KRWDZBQOSA-N 357.841 3.496 0 1 FGAF Cc1ccc(OC2CCN(C(=O)c3nc4cc(O)ccc4[nH]3)CC2)cc1 35259644 XLBBJTZJXQARGK-UHFFFAOYSA-N 351.406 3.261 0 1 FGAF CC1=NN(C(=O)NC2CCCCC2)C(C)=NN1C(=O)NC1CCCCC1 40617345 WSBCMZWLGVFDHY-UHFFFAOYSA-N 362.478 3.355 0 1 FGAF COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1OC 95586492 XKBBVDPVTNUJQP-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF CC[C@@H](C)C(=O)OCC(O)(COC(=O)[C@H](C)CC)c1ccc(C)cc1O 238751005 ZJCVZNYWABUXAX-HUUCEWRRSA-N 366.454 3.067 0 1 FGAF Brc1cccc(-c2nnc(Cn3nnc4ccccc43)o2)c1 653727925 OPHHQBKXQLULEF-UHFFFAOYSA-N 356.183 3.292 0 1 FGAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(O)nc(O)nc3[nH]2)c1 586882541 XLOBTCOHAQWLBB-UHFFFAOYSA-N 360.373 3.279 0 1 FGAF N[C@@]1(c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587158922 ZCYXQSZBDGSHLS-GLEZIHRCSA-N 365.181 3.340 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1[C@H](O)C(=O)O)CC2=O 587475846 AVROIPLONGXNDR-GHTZIAJQSA-N 370.401 3.343 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccccn1)CC2=O 587488640 RGOLZLGYXMHKBO-HXUWFJFHSA-N 355.390 3.465 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 587962669 VKFYRONADHZGKX-UHFFFAOYSA-N 358.781 3.221 0 1 FGAF COCCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753538 JLCWQEDUQJGXQR-MEBBXXQBSA-N 368.250 3.055 0 1 FGAF NS(=O)(=O)c1cccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962665129 JHCXIEZVARZGSL-NRFANRHFSA-N 364.470 3.236 0 1 FGAF CN(C)C(=O)c1ccc(N2CCC(NCCc3ccccc3F)CC2)cc1 11912834 HEEOCJDLQWFUKD-UHFFFAOYSA-N 369.484 3.329 0 1 FGAF CC(C)(C)[C@@H]1C=C(C(=O)NC2CC2)O[C@H](OCc2ccc(CO)cc2)C1 13657315 QCEBQIDHHTZZEI-APWZRJJASA-N 359.466 3.267 0 3 FGAF COc1cc(C[C@H]2NCC[C@@H]3C(F)=C(O)C(O)=C[C@H]32)cc(OC)c1OC 169306298 IUCYJGARTZONQF-YNEHKIRRSA-N 365.401 3.044 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C)n3)C2)cc1 169709272 AFGDTXVXFNMQNJ-SCLBCKFNSA-N 357.429 3.384 0 1 FGAF CC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167529489 ZLOIRECIONBTDM-UHFFFAOYSA-N 362.433 3.265 0 1 FGAF Cc1cccc(CNc2nc(NC(=O)c3ccccc3)[nH]c3ncnc2-3)c1 1857595456 LDMQWVAFTXZBQV-UHFFFAOYSA-N 358.405 3.477 0 1 FGAF O=C(O)C[C@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2ccccc2[nH]1 2356335967 FYKJWENMPFGQBU-HZPDHXFCSA-N 364.449 3.113 0 1 FGAF Cc1ccc(NC(=S)O[C@@H](C)CNC(=O)c2ccccc2C(=O)O)cc1 28476345 KVANRHICAFZICS-ZDUSSCGKSA-N 372.446 3.225 0 1 FGAF O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1/C=C/c1ccccc1 103280853 SAYIMDCHIWSTPC-NIUJXMEQSA-N 365.429 3.401 0 1 FGAF CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 111920474 HJAWKNBVIUDPFZ-RDJZCZTQSA-N 353.330 3.076 0 1 FGAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@@H]1CSCC[C@@H]1N=C2 27084254 FAEJWVCMADNLAQ-OLZOCXBDSA-N 351.378 3.201 0 1 FGAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(F)ccc32)CC1 22940735 XISRGFHXAPVIRZ-PZJWPPBQSA-N 358.432 3.151 0 1 FGAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 61905602 ZONOLOKSIQPHBN-LBPRGKRZSA-N 358.360 3.214 0 3 FGAF CN(C)CCCn1c(=N)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 20032953 MJDVYJOIYQPNOW-IBGZPJMESA-N 372.900 3.261 0 1 FGAF O=C(COc1ccc2ccccc2c1O)NCCc1nc2ccccc2[nH]1 75830263 RRWRYRLQZQQOTL-UHFFFAOYSA-N 361.401 3.159 0 1 FGAF CC(C)Oc1cc2c(-c3cc(N4CCO[C@H](C)C4)ncn3)n[nH]c2cc1F 221265869 BHQSZNOBMWWHFK-GFCCVEGCSA-N 371.416 3.171 0 1 FGAF COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(OC)c3OC)C[C@H]21 14765541 CKDHRRPIIGEUGN-MRXNPFEDSA-N 371.433 3.082 0 1 FGAF biogenic O=C1CCCc2[nH]nc(-c3nnc(-c4ccc(Br)cc4)o3)c21 1911579240 PWFABWXYIGICEG-UHFFFAOYSA-N 359.183 3.408 0 1 FGAF Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCCC2)cc1 82151356 CFJDEWCPARUOPI-UHFFFAOYSA-N 361.449 3.450 0 1 FGAF CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cs1 82069132 MEKILLTVQLOJNQ-INIZCTEOSA-N 371.506 3.059 0 1 FGAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1CCc2ncsc21 220861497 UVRFJKSUBFCSRU-GXFFZTMASA-N 357.262 3.330 0 1 FGAF C[C@@H]1C[C@H](O)[C@@]2(C)[C@H](C(=O)O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 238730815 WNMPYAFMEIPUEI-WRRDTTDDSA-N 350.455 3.164 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 299810715 XNCWDLBBWYSKHK-NURXKKLYSA-N 367.489 3.206 0 1 FGAF Fc1ccc(-n2nnc(-c3nc4nc(Cl)c[nH]c-4n3)c2C2CC2)cc1 587168370 ITKCDPBKGNYKEJ-UHFFFAOYSA-N 355.764 3.222 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)c(F)c2[nH]1 587250205 QAGKBELQODIXBL-UHFFFAOYSA-N 364.174 3.336 0 1 FGAF Cn1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580525 IONGPYCRGXTSGX-FXAWDEMLSA-N 350.374 3.089 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587096533 LFNZYWVGDVVBNT-PDSXEYIOSA-N 370.408 3.067 0 1 FGAF CCN(CC)c1ccc(-c2nn(C(C)=O)c(=O)c3ccccc23)c(O)c1 587667834 UUDQEASVLHYNOA-UHFFFAOYSA-N 351.406 3.275 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587786576 IEHFNZXRLUNMBB-UHFFFAOYSA-N 372.446 3.099 0 1 FGAF CC(C)(SCC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 586960626 WYXYQSUXDABPHK-UHFFFAOYSA-N 364.652 3.427 0 1 FGAF Cc1c(-c2nc3nc(Cl)ncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028912 BRGSYYQUKPGAOL-UHFFFAOYSA-N 358.814 3.156 0 1 FGAF COC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966956 NNIAZYMZVSOXEQ-UHFFFAOYSA-N 367.390 3.087 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1N1CCOCC1)CC2=O 587473968 DHKLLFGFJTUCAT-IBGZPJMESA-N 368.433 3.283 0 1 FGAF Nc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1N 587120474 KQDNXHAIWDVXQH-UHFFFAOYSA-N 350.226 3.155 0 1 FGAF CC(=O)N[C@@H](C)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953624 JUBZYKIFHILODR-YVEFUNNKSA-N 370.415 3.097 0 1 FGAF CC(C)n1nc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2c(N)ncnc21 1772635843 ZFTLLRKZKSKCGV-UHFFFAOYSA-N 370.844 3.313 0 1 FGAF O=C(c1cccc(F)c1)c1cc(C(=O)C(F)(F)F)n(-c2cnn(O)c2)c1 1772648840 VHGGIBCVCVIDQR-UHFFFAOYSA-N 367.258 3.026 0 1 FGAF Cc1cccc(C[C@@H](C)NC(=O)CCc2nnc(-c3ccccc3)o2)n1 12320838 UHLKOTOBWXQYGH-OAHLLOKOSA-N 350.422 3.120 0 3 FGAF O=Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12 13438680 JQJZAUBSLUYDAA-UHFFFAOYSA-N 354.841 3.122 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@H]1N2 13559569 PETAHELMBJGYJY-CIBWAPOUSA-N 350.256 3.449 0 1 FGAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@]23CN4CCC[C@@]4(C[C@@H]12)C(=O)N3 169369957 DXPVAKSJZFQGSS-ORYQWCPZSA-N 369.896 3.378 0 1 FGAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5ncccc5F)[nH]c4c3)nc12 1857631110 POCNJEYXZOYKRH-UHFFFAOYSA-N 359.368 3.486 0 1 FGAF Cc1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)Cc1ccccc1 775165 JRFWRKHLSPMSLQ-OAHLLOKOSA-N 354.381 3.123 0 1 FGAF COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)NC2CCCCCC2)cc1OC 3030337 HLQQXTJKWQSAPF-HNAYVOBHSA-N 361.438 3.147 0 3 FGAF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(C)c1)[C@@H](O)C2=O 2356377794 LXGLWXNESDYZPZ-PMACEKPBSA-N 370.401 3.298 0 1 FGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(COc1ccccc1)[C@H](C)N2 26851961 QXDMAKQNLXKJQD-NSHDSACASA-N 355.398 3.198 0 1 FGAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12 38267442 PSRPOZWPJIGRFL-UHFFFAOYSA-N 369.509 3.144 0 1 FGAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@@H]3C1 2356721331 AXKLAIMNMYFDSU-FUGRUBGVSA-N 359.510 3.406 0 1 FGAF Cc1noc(C)c1C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N 26818499 RZJQQVRPTFGJHH-UHFFFAOYSA-N 355.373 3.272 0 1 FGAF CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1 36338883 MTVCEHFGGDBBBV-UHFFFAOYSA-N 360.461 3.101 0 1 FGAF COc1ccc2c(=O)c(OC)c(-c3cc(OC)c(O)c(OC)c3)oc2c1 14644467 JPZRECLLDITGML-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic COc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O 223245003 JUWOMZZEMBEISF-UHFFFAOYSA-N 352.346 3.369 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccsc4)ccc31)[C@H]1CC[C@@H](C2)N1 82154307 IAZXBSIMCBQTFJ-XHDPSFHLSA-N 358.488 3.422 0 1 FGAF O=C1O[C@@](CO)(COC(=O)C2CCCCC2)C/C1=C/C1CCCCC1 45498337 FTGGWNQYVKVTHH-OWMRDYPQSA-N 350.455 3.295 0 1 FGAF CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccccc2F)n1 82151140 WVRGCISNGBCPBZ-CYBMUJFWSA-N 360.433 3.259 0 1 FGAF COc1ccc(C2=NO[C@H](CC(=O)Oc3ccc(NC(C)=O)cc3)C2)cc1 82155627 UCDQGEQVLURHIU-SFHVURJKSA-N 368.389 3.142 0 1 FGAF O=C(NCC[C@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261178031 VJVRBLJCNBJLJZ-LBPRGKRZSA-N 369.400 3.312 0 1 FGAF C[C@]1(c2cccc(-n3cnnn3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517506 ORUWDLJYWSFRNM-OAQYLSRUSA-N 360.417 3.422 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586937475 PXBMAHRPAZSPKU-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF O=C(c1ccc(F)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657854 BOWCXQCZNZDROD-UHFFFAOYSA-N 363.323 3.425 0 1 FGAF C[C@@]1(c2ncc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567823 FIRXLVHTCRIODB-HNAYVOBHSA-N 352.321 3.198 0 1 FGAF COC(=O)c1cccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c12 587067124 ONUWLLDGMWRTNR-UHFFFAOYSA-N 374.780 3.403 0 1 FGAF FC(F)(F)c1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586910513 QECSMZWNMUQDNC-SSDOTTSWSA-N 365.149 3.302 0 1 FGAF O=C1CC=C(c2nc3c(Cl)ccnc3[nH]2)NN1Cc1ccc(F)cc1 587164748 ZXJQIHGIAMITDT-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 586931050 SYISAUHJIKRCFH-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594860 PNMVLELXODYUAO-ACGMZIBCSA-N 368.385 3.312 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CCC)(CC(=O)C(=O)OCC)CC2=O 587485438 WNZPPIUYPPTKLT-FQEVSTJZSA-N 362.422 3.371 0 1 FGAF Sc1nnc(SCc2nc3cc(Br)ncc3[nH]2)s1 587025200 JERIJGZLPYJBHU-UHFFFAOYSA-N 360.287 3.153 0 1 FGAF COCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587772222 DYPISGPJURZEKZ-XXFAHNHDSA-N 366.234 3.148 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(Cl)nc2[nH]1 587223793 GEWRSNYYAYYUSO-SECBINFHSA-N 365.220 3.348 0 1 FGAF COC(=O)C[C@@H](C(=O)OC)[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962659936 BIKVNBQUXSHZEW-UGKGYDQZSA-N 367.445 3.067 0 1 FGAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C)cc1O 1772618111 FYBNULBWWUTZFB-UHFFFAOYSA-N 370.405 3.494 0 1 FGAF CC(C)(C)c1cc([C@@H](CO)OCCOCCO)cc(C(C)(C)C)c1O 5714780 JTVUWCWBNGVCOX-QGZVFWFLSA-N 354.487 3.046 0 1 FGAF O=C(CN1CCN(c2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC1 13825753 WTUBJFQTRKYXPC-QHCPKHFHSA-N 364.489 3.066 0 1 FGAF CCC1=C(C(=O)OCc2ccc(OC)cc2)[C@H](c2ccccc2)NC(=O)N1 205384092 CYSQLQKIDRFREY-IBGZPJMESA-N 366.417 3.457 0 1 FGAF COc1ccc2c(c1)CCN1Cc3c(cc(OC)c(OC)c3OC)C[C@@H]21 208101592 YOIFNPPXIVBRIH-SFHVURJKSA-N 355.434 3.377 0 1 FGAF CN(C(=O)[C@@H](N)CCCN)C(CCc1ccccc1)CCc1ccccc1 1857557659 PVGLGUMAFRGJGJ-QFIPXVFZSA-N 367.537 3.145 0 1 FGAF CCC(=O)Nc1cccc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)c1 1857747323 DYJPPYNJSQVQQN-OAQYLSRUSA-N 363.417 3.211 0 1 FGAF CC1(C)[C@@H](CNC(=O)N2CCCCC2)C[C@@H]1CNC(=O)N1CCCCC1 2502260 CLWQZFANUTXBSZ-IAGOWNOFSA-N 364.534 3.040 0 1 FGAF CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3Cc2ccccc2)c1 3926715 DDIXHPXVGIONCD-UHFFFAOYSA-N 372.432 3.286 0 1 FGAF COC(=O)c1sccc1NC(=O)c1nn(C)c2c1COc1ccccc1-2 6817523 COIOSKFPKVRTNX-UHFFFAOYSA-N 369.402 3.080 0 1 FGAF CC(C)CC[C@@H](C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 28388117 WQTBSMORPCLWMI-MRXNPFEDSA-N 365.543 3.130 0 1 FGAF Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)sc2ccc(Cl)cc12 103053848 GSBBWAXEFXSVQY-JTQLQIEISA-N 373.883 3.348 0 1 FGAF O=C(c1ccc(Br)s1)C(Cn1ccnc1)Cn1ccnc1 28874477 DNSWKHAAFIMURB-UHFFFAOYSA-N 365.256 3.103 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@]32C 2356594220 MSKATEQDOFAFJJ-FDFHNCONSA-N 368.477 3.127 0 1 FGAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@@]3(O)[C@@H]4N4C[C@H](C)[C@@H](CC[C@@]31C)[C@@H]42 2356863931 VJHKXZFTAJOMSE-IJHBJROUSA-N 373.537 3.370 0 1 FGAF C[C@H](Cc1ccc2c(=O)ccoc2c1)CN1CCN(c2ccccn2)CC1 26575476 GAEYNNPPXXZZSP-QGZVFWFLSA-N 363.461 3.189 0 1 FGAF Cn1c(=O)c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(O)c2ccccc21 3846527 UUQCZIVRKMTDDG-AWEZNQCLSA-N 353.809 3.336 0 1 FGAF biogenic CCCCn1nnnc1[C@@H](CC)N1CCN(C/C=C/c2ccccc2)CC1 72139972 DYXWGCLNHUSWHE-RGFVMQALSA-N 368.529 3.255 0 3 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](N1CCOCC1)C2=O 31870602 OJJIUBVDSXQWGO-HVWUICSASA-N 373.537 3.190 0 1 FGAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C 13337283 WDAMTPQABGTUDL-LRTDBIEQSA-N 358.434 3.323 0 1 FGAF biogenic CNc1nc(N2CCc3ccccc3C2)nc2cc(OC)c(OC)cc12 82136558 XIWQOWJYJHFNCC-UHFFFAOYSA-N 350.422 3.251 0 1 FGAF CCOC(=O)c1cc(C)sc1-n1[nH]c2c(cnc3ccccc32)c1=O 137878140 BDSLGVVRGQWDLO-UHFFFAOYSA-N 353.403 3.414 0 1 FGAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c(OC)c1 40918125 YJMGNXOUERDWGA-MRXNPFEDSA-N 369.425 3.155 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H]1C 136322985 OJRBXDNIVPJMHE-BLLLJJGKSA-N 361.463 3.496 0 1 FGAF COc1ccc(NC(=O)[C@H]2C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 195428497 GAKWIJXVOUCJFJ-DJPFJPOOSA-N 366.417 3.004 0 3 FGAF CCOc1ccc(CCNc2nc(N3CCSCC3)ncc2C)cc1 82202621 GPOWQFNXYPFJJZ-UHFFFAOYSA-N 358.511 3.392 0 1 FGAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 95894593 NNCUELMFBOQLAJ-NJYVYQBISA-N 371.525 3.335 0 1 FGAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Cc1ccncc1 98084140 LDNPUMDNFWHJDG-JQBYJRRVSA-N 366.420 3.474 0 1 FGAF Cc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1C 95565358 LTNCOQNJPVZGSN-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF CCc1ccccc1NC(=O)CSc1nc(-c2ccc(O)cc2)n[nH]1 653821070 QKJFXZSQHVFUAJ-UHFFFAOYSA-N 354.435 3.471 0 1 FGAF COc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 587124107 LOPPGNRXTYUACW-XCBNKYQSSA-N 352.320 3.138 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c1 586899813 SIOWZAGNUGKVIV-WAAGHKOSSA-N 353.216 3.131 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(C)c2)(C(F)F)N1 587716892 KFXPPURFZHLPJQ-ANRSDYALSA-N 374.204 3.365 0 1 FGAF C[C@]1(c2ncc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567824 FIRXLVHTCRIODB-KXBFYZLASA-N 352.321 3.198 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccn(C)n1)CC2=O 587477794 VDTYPFRLKAOWQO-ZZLBYYGFSA-N 355.438 3.014 0 1 FGAF NC(=O)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127187 NQOOOKOLHWEVKS-UHFFFAOYSA-N 361.283 3.104 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CCOC)C(=O)OCC)CC2=O 587484560 SDBBEMDSLLEFJV-QRWLVFNGSA-N 364.438 3.284 0 1 FGAF Cc1c(O)ccc2c1[C@@H](c1ccc3cccc(F)c3n1)N[C@H](C(=O)O)C2 963547328 BDUAXZVMOJVWGI-HNAYVOBHSA-N 352.365 3.076 0 1 FGAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)c2ccsc2CCN1C(N)=O 962709481 QTPODBSNZRVZMT-MAUKXSAKSA-N 350.484 3.270 0 1 FGAF CCOC(=O)[C@@H](CC(C)(C)C)[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962891494 BPYSHFSNXOATHG-HRCADAONSA-N 351.418 3.081 0 1 FGAF CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1 1772602309 WAOPBAUYEVWLHE-UHFFFAOYSA-N 362.433 3.065 0 1 FGAF CC(=O)c1cccc2c1[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 13604620 KIMBEMGTTFRRCW-QZTJIDSGSA-N 357.381 3.031 0 1 FGAF Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc2c1=O 14211500 PRPSMPHMELIHFQ-UHFFFAOYSA-N 363.461 3.465 0 1 FGAF in-vitro COc1ccc2c(c1)N(CCCN(C)C)C(=O)/C(=C/c1ccccc1)O2 169324442 IFXYWPLLRKXOBJ-ZHZULCJRSA-N 352.434 3.413 0 1 FGAF COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(Cl)c1 169348926 XRZPSQGIKREPSF-UHFFFAOYSA-N 369.808 3.484 0 1 FGAF COC(=O)CCc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[nH]1 167776971 MOAIXMLYOBZILH-UHFFFAOYSA-N 365.368 3.260 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2cccc(F)c2F)nn1 201479093 QAWCGHPENGSIMC-UHFFFAOYSA-N 358.348 3.014 0 3 FGAF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)OC(C)(C)C 1857549880 JPYUYDPJLWNBEW-UHFFFAOYSA-N 373.840 3.467 0 1 FGAF O=C(O)c1ccc(COc2ncn(-c3ccccc3Br)n2)cc1 2524282 AXBJLUGBHSZUDR-UHFFFAOYSA-N 374.194 3.307 0 1 FGAF O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100293751 UIZNMIBTZJJCGV-DLBZAZTESA-N 362.410 3.299 0 1 FGAF O=C(O)/C(=C/c1ccc(-c2ccc(CO)cc2)o1)NC(=O)c1ccccc1 28523556 DULOOEBOXPCMTQ-PDGQHHTCSA-N 363.369 3.294 0 1 FGAF Cn1ccnc1Sc1cc(C(=O)Nc2ccccc2N)c(N)cc1F 28872002 AKFYIDYMHOHWSE-UHFFFAOYSA-N 357.414 3.127 0 1 FGAF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 28330578 BQAKKMGVXSYPCI-HZMBPMFUSA-N 373.284 3.348 0 1 FGAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3n[nH]c4ncccc34)c21 116989642 LVTZQUZPGIZBBL-UHFFFAOYSA-N 356.389 3.049 0 1 FGAF Cc1ccncc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F 43060079 SHTNULYTFRAXDF-UHFFFAOYSA-N 367.359 3.449 0 1 FGAF COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)c(Cl)cc32)cc1 221943590 SHKIGHNHNRFYSB-QGZVFWFLSA-N 366.200 3.415 0 1 FGAF CCC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45253738 USBHEELMYYNIQI-OAHLLOKOSA-N 369.469 3.322 0 1 FGAF COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1O 43510206 VBIRCRCPHNUJAS-FQZPYLGXSA-N 356.374 3.205 0 1 FGAF O=C1c2cccc3nc(-c4ccccc4)n(c23)CCN1[C@@H]1CN2CCC1CC2 198049616 NRGNXBSNUWZEIJ-HXUWFJFHSA-N 372.472 3.253 0 1 FGAF O=S1(=O)C[C@H](N2CCC(c3ccccc3)CC2)CN1C1CCCCC1 95600403 AJFYGTHIQWSHBT-HXUWFJFHSA-N 362.539 3.213 0 3 FGAF Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccc2)c1 95594838 VXLLJFAWLMMPED-UHFFFAOYSA-N 374.444 3.380 0 1 FGAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(CC2CCCC2)n1 95574404 WYGCEDXALOACTP-AJBJNYEZSA-N 369.509 3.187 0 1 FGAF CNC(=O)c1cccn2cc(-c3cccc(-c4cncc(OC)c4)c3)nc12 96916056 FUXXIONUWXKZIU-UHFFFAOYSA-N 358.401 3.432 0 1 FGAF CN1C(=O)[C@H](C(=O)NC(C)(C)C)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 250728532 YFNAOPLKGVKGOK-PCPGWFQFSA-N 356.466 3.052 0 3 FGAF O=C1CSc2ccccc2N1Cc1cn(Cc2ccc(F)cc2)nn1 653787997 FMJJULOFFCSIHM-UHFFFAOYSA-N 354.410 3.104 0 1 FGAF CC[C@H](C)n1ncc(I)c1-c1nc2ncccc2[nH]1 587181061 MLKXZWFDKQLIIO-QMMMGPOBSA-N 367.194 3.397 0 1 FGAF CCOC(=O)C[C@@]1(c2sc(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587415366 ZJEIXWHJKJSNIC-LJQANCHMSA-N 374.462 3.464 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N(C)C(C)=O)c1)[C@@H](C2)C3=O 587427811 GEGRPSRYUSOJAR-UWJYYQICSA-N 351.402 3.341 0 1 FGAF COc1ccccc1[C@@]1(CNC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388188 XKFKUAWBSCNIIP-NRFANRHFSA-N 354.450 3.445 0 1 FGAF O=C(c1ccc(O)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613574 ZMLRGJWNYGXMBS-DYESRHJHSA-N 362.337 3.311 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccnc(Cl)c2[nH]1 587193964 KDMPUKKLDKBQBB-LLVKDONJSA-N 353.854 3.129 0 1 FGAF COC(=O)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707474 WACNNBXYNTYIAG-INWYIAFRSA-N 370.140 3.053 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587429521 VTNARABWIVEBJH-YWZLYKJASA-N 374.339 3.481 0 1 FGAF N=c1nc2c(c[nH]1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587105246 UOUCPJJPRCBEGK-UHFFFAOYSA-N 350.381 3.414 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586983598 FODOVEIRUCBDNC-IUODEOHRSA-N 374.242 3.292 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1S(C)(=O)=O)CC2=O 587489979 WDJVRNNOJKIULT-SJLPKXTDSA-N 352.452 3.036 0 1 FGAF Cc1noc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587792515 ITBRLNIYLMGLRX-AYVTZFPOSA-N 354.223 3.272 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 586951098 SZTBKNMNJWEHCJ-MRXNPFEDSA-N 373.438 3.104 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(C4OCCCO4)cc3)c3cccc1c32 963035582 RYKQEKHBIKYBPY-IIBYNOLFSA-N 364.445 3.265 0 1 FGAF Cc1ncccc1[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962660087 GAFPNCOXOXWNMJ-YADHBBJMSA-N 361.445 3.300 0 1 FGAF COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@](O)(CC[C@]12C)[C@@H]43 169648260 BIOQITHAUXBDPF-HCNVJVEDSA-N 371.521 3.147 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2ccccc2F)C[C@@]1(O)C(F)(F)F 1857636912 GGNQYMQNDQBZNN-QGZVFWFLSA-N 366.314 3.256 0 1 FGAF N=c1[nH]cc(-c2ccccc2)n1CCCn1c(-c2ccccc2)c[nH]c1=N 1857756040 TVUUBLBZJJAZQC-UHFFFAOYSA-N 358.449 3.329 0 1 FGAF Cc1sc2nc3c(C(=O)NCc4ccccc4)cccn3c(=O)c2c1C 2461832 QIJOERUTZUXFPH-UHFFFAOYSA-N 363.442 3.456 0 1 FGAF CCN(CC)CCCN[C@H]1c2cc(OC)ccc2OCc2ncccc21 3780095 GAVPAAGQFPCWAY-OAQYLSRUSA-N 355.482 3.394 0 1 FGAF NCCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 103242143 UFBUAAGSLDNFTI-VXKWHMMOSA-N 364.537 3.387 0 1 FGAF C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C[C@H]1CCCO1 20387436 RMDHLNCVMLJHSG-XMSQKQJNSA-N 370.493 3.072 0 1 FGAF CC1(C)CC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1 52913640 TZZOFPHGIHSRTP-UHFFFAOYSA-N 369.868 3.091 0 1 FGAF CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(Cl)ccc1c2=O 61921420 ARIVRGKGBXSELR-HNNXBMFYSA-N 368.824 3.265 0 3 FGAF C[C@H](CCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356628921 LCCMRNZRAPDWCS-QLCXLMDBSA-N 360.491 3.234 0 1 FGAF CC(C[C@@H]1OC(=O)C2=CCCC(=O)[C@@]21C)=C1C[C@H](c2ccoc2)OC1=O 2356708688 YSMKTAQFAWMSRW-OXFYSEKESA-N 356.374 3.195 0 1 FGAF CN(C)CCc1cc(O)c2nc(C3=NCCc4cc(O)ccc43)sc2c1 14829626 QNXHXXXUFLYYFK-UHFFFAOYSA-N 367.474 3.205 0 1 FGAF biogenic NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 223038742 AKNQIOIQJXBDSP-NJNPRVFISA-N 354.494 3.350 0 1 FGAF CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1 40917335 FRXKHOISTFCGOP-IBGZPJMESA-N 358.507 3.209 0 1 FGAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82069230 DDNMUOQCEUCNOG-KRWDZBQOSA-N 364.401 3.164 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1OC(=O)c1cccc3ccccc13)N2C 195031624 WBVZUODNCPVLSS-FZDIXFNVSA-N 353.418 3.021 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1N1CCOC1=O)O2 587400092 PELZCQWUVPBKBP-FQEVSTJZSA-N 352.390 3.414 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cn1)OCO2 587588909 VFIUTNWYEWSVIE-XLIONFOSSA-N 363.325 3.219 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960320 KUDRGJNQGGSLAB-GJZGRUSLSA-N 355.463 3.159 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Cc1ccccc12 587817019 HHJVQOUAQPAQCR-XTZNXHDOSA-N 360.226 3.491 0 1 FGAF CCc1nc(C)c([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)s1 963240638 ZDDYRIRKLPDLMA-JXFKEZNVSA-N 367.474 3.425 0 1 FGAF COc1cc([C@@H]2NCC(C)(C)c3ccc4c(c32)OCO4)cc(OC)c1OC 963390884 ODAQMNVUOSHXRT-SFHVURJKSA-N 371.433 3.411 0 1 FGAF O[C@H](Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1 13682913 MWGRSUFXCMYXGU-LJQANCHMSA-N 359.433 3.215 0 1 FGAF COCCCOc1cccc([C@H]2NC(=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726018 IBKMWBNOXGSSRZ-QZTJIDSGSA-N 364.401 3.168 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3cccnn3)CC2)CC1 1857549026 UAAGWJXNZLCONN-SFHVURJKSA-N 367.497 3.119 0 1 FGAF Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1C(=O)N1CCCC1 1857557869 VUVMBXJIEGMYNY-UHFFFAOYSA-N 359.445 3.027 0 1 FGAF O=C(Nc1nc(NCc2cccc(F)c2)c2ncnc-2[nH]1)c1ccccc1 1857566879 KIWYMELZPOXFIH-UHFFFAOYSA-N 362.368 3.308 0 1 FGAF Cc1ccc2nc(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305794 HFANEMFLQXMQET-CABCVRRESA-N 371.481 3.399 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)[C@@H]2CC[C@@H]1CCOC1=O 26579407 VYGRJLSEKZYMAS-FCDLBOHZSA-N 350.455 3.295 0 1 FGAF Cc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(-c2ccccc2)n1 101550407 ICGDNCVFXSZQPO-UAQYOZQWSA-N 363.461 3.121 0 1 FGAF C/C=C(/C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)[C@@H](O)C=C2 66259867 RCIOEOWZSQVXEU-YKMVYGBISA-N 360.406 3.104 0 1 FGAF CC(C)(C)C(=O)/C=c1/nc(O)/c(=C/c2ccccc2C(F)(F)F)s1 103754961 DIMCMKBDAMHNFW-RXAUVDRZSA-N 355.381 3.092 0 1 FGAF CCN1C(SCC(=O)NC2CCCC2)=NN/C1=C1\C=Nc2ccccc21 103917314 HDJJPNRNYWJSLB-SDXDJHTJSA-N 369.494 3.059 0 3 FGAF C[C@H](CCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356345613 VZEGHYGOTDETNP-YFYQMDMQSA-N 372.502 3.400 0 1 FGAF CCNc1nc(C)c2cc(-c3cccnc3N)c(=O)n(C3CCCC3)c2n1 117698992 DBQSBNDJLGNAOB-UHFFFAOYSA-N 364.453 3.291 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 26401505 BWQBQKNYEMXWRS-HKXOLIFUSA-N 358.507 3.244 0 1 FGAF CCc1nc(-c2nnc(S)n2-c2ccc3c(ccn3C)c2)c(O)cc1O 115810761 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NNCUELMFBOQLAJ-HKBOAZHASA-N 371.525 3.335 0 1 FGAF COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1S(C)(=O)=O 95562854 JTPZWWYBRZKSDB-QPEQYQDCSA-N 363.822 3.245 0 1 FGAF O=C1CCC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)N1 618014943 MLXXXXMEVLPXCA-INIZCTEOSA-N 359.429 3.300 0 1 FGAF CCc1ncc(CN[C@H]2CCCN(C(C)=O)[C@@H]2c2ccc(C)s2)cn1 299841801 NVXAXDCYPKCLHJ-LPHOPBHVSA-N 358.511 3.251 0 1 FGAF CCn1cc(-c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)cn1 653678266 NAWMWZACWGDVOW-UHFFFAOYSA-N 372.379 3.483 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)ncc2[nH]1 586922886 UXCSGDCKLBFAOU-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF Cc1c(F)ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127227 PVGJALZSLZRBQX-UHFFFAOYSA-N 359.304 3.366 0 1 FGAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1OC 587810305 KMBHVFFGQLUIRQ-JGXBHBFRSA-N 358.251 3.142 0 1 FGAF NC(=O)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116447 XPVUQCULKUGRQT-UHFFFAOYSA-N 357.295 3.291 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nc2)N1 587773697 RHOCWRFDDZVCJN-JDNHERCYSA-N 351.219 3.487 0 1 FGAF CCOCc1ccc(-c2nc3ncc(I)cc3[nH]2)o1 586904028 YENQQNRRXJLGJC-UHFFFAOYSA-N 369.162 3.359 0 1 FGAF Cc1c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905365 MVJWAKJRHCLVFS-MRXNPFEDSA-N 355.438 3.441 0 1 FGAF CC1=C(c2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)NNC(=O)C1 586879788 NMUHKFJCPSNPPX-VQHVLOKHSA-N 374.400 3.187 0 1 FGAF O=C(O)CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603837 PUXAPHVGLVQBME-PXNSSMCTSA-N 354.358 3.367 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888533 KMYWOBQELUHWGN-UZLBHIALSA-N 367.474 3.185 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c[nH]c3ncccc13)CC2=O 587481770 HNCPAAZIBXTJJU-FQEVSTJZSA-N 366.373 3.166 0 1 FGAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n[nH]1 587658057 JIOHKNUVMLASDX-UHFFFAOYSA-N 366.327 3.062 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(O)[nH]c3cc(Cl)ccc13)NCC2 962935140 YTEKRRNULAKFTK-GOSISDBHSA-N 369.852 3.464 0 1 FGAF Cc1cc([C@@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c(C)s1 963143417 LXRGSYIQGOIYIG-IBGZPJMESA-N 359.447 3.317 0 1 FGAF NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 13534213 RPWGPUBKJDYNDR-UZLBHIALSA-N 360.404 3.407 0 1 FGAF OC[C@@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 13646296 TWEONIHFGKSPLC-INIZCTEOSA-N 360.417 3.057 0 1 FGAF Cc1noc(-c2ccc(N3CCc4[nH]nc(-c5ccccc5)c4C3)nc2)n1 19146681 AKMWVAIHOXKYQB-UHFFFAOYSA-N 358.405 3.393 0 1 FGAF CC(C)(C)NC[C@H](O)COc1ccccc1-c1ncc(C(F)(F)F)[nH]1 169319021 AJFWITDGQIIXFY-NSHDSACASA-N 357.376 3.223 0 1 FGAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccc(F)cc2F)nn1 203462613 LRQKOUDNDWZWLX-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF CCN1CCC[C@@H]1CN[C@@H]1c2cc(OC)ccc2OCc2ncccc21 607331 VXQFZPGZTLWMKG-VFNWGFHPSA-N 353.466 3.146 0 1 FGAF CCCCCC=CC[C@H](O)[C@H](O)[C@H](O)C=CCC=CCCCC(=O)O 2356306186 GOHNIXDAQODZKP-NSHGMRRFSA-N 354.487 3.353 0 1 FGAF COc1ccc2c(c1)OC[C@@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 103177638 LRIJTDJEHIKGDZ-ZHRRBRCNSA-N 365.429 3.289 0 1 FGAF CC(=O)N[C@H](CC(=O)O)P(=O)(Oc1ccccc1)Oc1ccccc1 29400095 CNTBHWZIEKPBNP-INIZCTEOSA-N 363.306 3.274 0 1 FGAF CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1 28571518 WIACWFSVQJVNGF-UHFFFAOYSA-N 367.359 3.359 0 1 FGAF Fc1ccc(-n2nnnc2Cc2cccnc2)c(Cl)c1C(F)(F)F 38238984 FSXOMKBIZUXPLS-UHFFFAOYSA-N 357.698 3.459 0 1 FGAF O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccc1 1911577250 RQYGALWXJCZPTN-UHFFFAOYSA-N 356.447 3.174 0 1 FGAF COc1cc(C/C(=C/c2ccc3c(c2)OCO3)[N+](=O)[O-])cc(OC)c1OC 84705601 RQXWTKIJIMMSQE-NSIKDUERSA-N 373.361 3.301 0 1 FGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OC)C2)cs1 82069693 LQQFRTWZPBUAEC-CYBMUJFWSA-N 374.462 3.234 0 1 FGAF Cc1ccc(NC(=S)OCCN2C(=O)c3ccc(C)cc3C2=O)cc1 40404790 RRVJNTXJMJRVAB-UHFFFAOYSA-N 354.431 3.313 0 1 FGAF Cc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 95576193 RHPUHEVTHYOECN-HXUWFJFHSA-N 353.466 3.344 0 1 FGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)NCCF)[C@H](c1ccc(Br)cc1)C2 253975502 OGMONSYQNAKIFE-YHUYYLMFSA-N 369.278 3.101 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cncs4)ncc23)ccn1 261192045 ZODAVITWSJGGSL-UHFFFAOYSA-N 365.422 3.107 0 1 FGAF O=C(CN1CCC[C@H]2Cc3cc4c(cc3[C@H]21)OCO4)Nc1ccccc1 299830108 MPGOCIONUJWYAH-QKKBWIMNSA-N 350.418 3.363 0 1 FGAF COc1ccc2c(c1)[C@@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473090971 BIGIDTIIOSUEPZ-OAQYLSRUSA-N 374.525 3.062 0 1 FGAF CCOC(OCC)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923795 OWQWURTWKSFBIU-UHFFFAOYSA-N 370.496 3.278 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NC1CCCCCC1)[C@@H](C2)C3=O 587431878 IKJVXSNDEWDJDH-HRAATJIYSA-N 357.450 3.430 0 1 FGAF CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587387864 TWWUTNITYMTHKO-NLBZTSMMSA-N 360.454 3.090 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075436 IHMWUNXWPQGBHJ-HNNXBMFYSA-N 353.773 3.188 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(O)cc2[nH]1 586985361 VCMIDYRMHWTMHV-INIZCTEOSA-N 374.238 3.451 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c(C3CCC(N)CC3)nc2c1 587256238 CJWZBRBVUQIWLB-UHFFFAOYSA-N 366.259 3.487 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCOCC3)s1)O2 587412514 ZMQRUVXMNHTHRC-QGZVFWFLSA-N 358.463 3.177 0 1 FGAF CN1CCN(c2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)CC1 587059987 XEURDHDPCJUNML-GOSISDBHSA-N 356.857 3.050 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ccc(OC)c(C)c3OC)nc2cc1OC 587788136 QFKUTAPXRMCVPX-UHFFFAOYSA-N 356.378 3.351 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587962203 VTIPYOZKCJLJJI-HOCLYGCPSA-N 355.463 3.159 0 1 FGAF C[C@]1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175023 VMJVDMAZWXJMLF-MAUKXSAKSA-N 354.341 3.054 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963100636 CFLHWTCBAPBTJF-CKJXQJPGSA-N 359.441 3.364 0 1 FGAF CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2ccncc2)C1 1772657093 ZUDONVCZBCQPST-UHFFFAOYSA-N 361.449 3.283 0 1 FGAF COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OC)ccc2ccccc12 13522806 ARVAVVGHIBBZQB-QGZVFWFLSA-N 356.447 3.156 0 3 FGAF C[C@H]1[C@@H](NC(=O)c2ccc(O)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205709398 CZEIVSHNQAWPQJ-BBTHKVSRSA-N 356.466 3.082 0 3 FGAF O=C1Nc2ccc(C3CC3)cc2C12CCN(c1ccc(Cl)nn1)CC2 1857575316 XQFATBAMFXEVNT-UHFFFAOYSA-N 354.841 3.498 0 1 FGAF O=C(c1coc2nc3ccccc3nc12)N1CCN(c2ccccc2)CC1 3050436 BNBLPLRXJFDAAY-UHFFFAOYSA-N 358.401 3.338 0 1 FGAF CN(C)C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 7992662 VOLCWHFFNBBUHL-GBESFXJTSA-N 352.434 3.378 0 1 FGAF COc1ccc(NC(=O)[C@@]2(C)CCN2CCc2ccccc2)cc1OC 61906653 APOKLDRVAPAEFU-OAQYLSRUSA-N 354.450 3.349 0 3 FGAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cn1 61930442 TZFMZOOLFJNEJS-NRFANRHFSA-N 361.401 3.485 0 3 FGAF C[C@H](CNC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2)CC(=O)O 28754760 VMLPWYDZLZPORX-INIZCTEOSA-N 373.497 3.085 0 1 FGAF CN(C)c1cccc(NC(=O)[C@@H]2Cc3c(-c4cccnc4)ccnc3O2)c1 61904073 AHKHITGXSWOTTR-IBGZPJMESA-N 360.417 3.152 0 3 FGAF Nc1nc(N)c2c(Cl)c([S@](=O)Cc3ccc(Cl)cc3)ccc2n1 32153338 SIUMZMJSCDWBGN-QHCPKHFHSA-N 367.261 3.409 0 1 FGAF O=C(Nc1ccccc1F)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 36638262 QXRKOMOGBPPDNO-INIZCTEOSA-N 355.413 3.386 0 1 FGAF Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144893255 BGGVVTURLWIEEZ-SFHVURJKSA-N 360.335 3.358 0 1 FGAF Cn1cc([C@]2(O)C(=O)Nc3ccc(Br)cc32)c2ccccc21 95599112 GRTPIDLOSFCSRU-KRWDZBQOSA-N 357.207 3.129 0 3 FGAF CC(C)CCn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1 96937454 SMDYKOJNQWJOHN-UHFFFAOYSA-N 367.501 3.145 0 1 FGAF Cc1nn(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c(C)c1Cl 587065803 YCDPAPCGOYTZDG-UHFFFAOYSA-N 374.235 3.493 0 1 FGAF COC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587594824 PEHMGIIOKSEXSA-HNAYVOBHSA-N 354.358 3.066 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cncc(Br)c2[nH]1 587044270 YKZDVOIGOGZFCW-JTQLQIEISA-N 369.288 3.341 0 1 FGAF COc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2n1 587029483 PQOFZEHYIKNTGM-UHFFFAOYSA-N 353.407 3.116 0 1 FGAF Cc1ccccc1-c1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O 587941762 QSENVPPSVSGFFC-UHFFFAOYSA-N 361.195 3.315 0 1 FGAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCC(=O)N1 587106739 NVEVFOXPGBWSEY-GHTZIAJQSA-N 370.408 3.397 0 1 FGAF COc1cncc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073096 BBWQTTFBVOCKKK-UHFFFAOYSA-N 354.801 3.235 0 1 FGAF Fc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c(F)c1F 587009179 VRVGLCBGIZBNHF-UHFFFAOYSA-N 368.116 3.452 0 1 FGAF O=C(O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587149649 OROQZBOYVLIBEK-GFCCVEGCSA-N 371.343 3.055 0 1 FGAF C[C@@]1(c2cncc(F)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978050 QOWYKKFZQILJBM-WBMJQRKESA-N 356.731 3.015 0 1 FGAF O=S(=O)(c1ccccc1)n1ccc2cc3c(cc21)[C@H]1CCNCC[C@@H]31 1772573119 JGHVVBYUGZXQJW-SJORKVTESA-N 352.459 3.443 0 1 FGAF O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1ccccc1Cl 13560152 BADSRELYUVTCEO-UHFFFAOYSA-N 364.873 3.018 0 1 FGAF COC(=O)c1ccc(Cn2nc(-c3cccnc3)c3ccccc3c2=O)cc1 13600567 GLTJTAPNBROZAT-UHFFFAOYSA-N 371.396 3.293 0 1 FGAF CCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 169370223 YJLVMNYHBPCQKV-QHPZLZSXSA-N 358.526 3.378 0 1 FGAF COc1ccc(Cn2cc(COC(=O)Nc3ccc(F)cc3)nn2)cc1 203462509 SVCBRAUGFZNUIQ-UHFFFAOYSA-N 356.357 3.223 0 3 FGAF O=C(O)c1cn2c3c(c(Cl)c(N4CCCC4)cc3c1=O)SCC2 27524648 LXIDAIGNFGCSBG-UHFFFAOYSA-N 350.827 3.059 0 1 FGAF CCn1cnc2c(Nc3cccc(Cl)c3)nc(N3CCC[C@@H]3CO)nc21 28086466 INOQUZXUCBEROH-CQSZACIVSA-N 372.860 3.204 0 1 FGAF COc1ccccc1N1CCN(CCCCN[C@H]2C[C@H]3CC[C@@H]2C3)CC1 28763483 VACNWTUDQQTSIL-ZCNNSNEGSA-N 357.542 3.376 0 1 FGAF Cc1noc(C)c1CSc1nc2nncc-2c(O)n1-c1ccccc1 100630989 GKWDDOKFSHFPHC-UHFFFAOYSA-N 353.407 3.370 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356680271 BHMBVRSPMRCCGG-XWTMOSNGSA-N 352.471 3.251 0 1 FGAF COc1cccc(CN2C(=O)COCc3cc(-c4cnn(C)c4)ccc32)c1 74374950 DVPPQQZOYUTAIL-UHFFFAOYSA-N 363.417 3.159 0 3 FGAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br 35286055 BXDKERQVHSVAEI-UHFFFAOYSA-N 353.220 3.328 0 1 FGAF COc1cc(C[C@H](C)C(C)=O)c(C(=O)c2ccc3c(c2)OCO3)cc1O 13376238 NZRFQWIILQPRRA-NSHDSACASA-N 356.374 3.128 0 1 FGAF biogenic O=C(Nc1ccc(Nc2ncnc3[nH]cnc23)c(F)c1)c1cccnc1F 95603588 NFBCXOGIEYMKMB-UHFFFAOYSA-N 367.319 3.022 0 1 FGAF COc1ccc2c(O[C@H]3CN[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1 98209650 GCPWMVSFJGFCCB-BEFAXECRSA-N 364.401 3.104 0 1 FGAF in-vitro O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)n1ccc2ccccc21 143564534 JJXSJSSVCHHCNH-UHFFFAOYSA-N 352.415 3.270 0 1 FGAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c3c1[C@H](C2)N(C)CC3 238749904 DYZJRZUDVUZRIP-INIZCTEOSA-N 355.434 3.473 0 1 FGAF CC(=O)Oc1ccc(-c2coc3cc(OC(C)=O)cc(O)c3c2=O)cc1 103273919 LANSIWZTDAKDFI-UHFFFAOYSA-N 354.314 3.016 0 1 FGAF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCC1OCCO1 587617057 OOLAMODTZCZNOP-CRAIPNDOSA-N 356.374 3.266 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(O[C@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587440151 ORZCKBKUVCOPSI-DBLBYYFGSA-N 368.385 3.210 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1F)O2 587386740 LYTMTGZXRVZGCG-HNAYVOBHSA-N 364.417 3.260 0 1 FGAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1 587355271 CVTZALWZKCQGIU-AZUAARDMSA-N 354.333 3.132 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)CCCC4)CC1 586952234 GMKTXVPRHGTZRI-UHFFFAOYSA-N 361.511 3.361 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC1(C2)OCCO1 587612143 UOPGFQNIMAJWIT-PXNSSMCTSA-N 368.385 3.410 0 1 FGAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(N)c(N)cc4[nH]3)c2)c1 587232368 RRFYVJZIGAZUBR-UHFFFAOYSA-N 371.444 3.345 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(N)=O)c2)N1 587749333 OCGBTHDODHCPNA-JDNHERCYSA-N 363.230 3.311 0 1 FGAF CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928607 GHTJWZXPUPTHQN-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc2nncn2n1 587866758 ORPBYKZJJCGPID-UHFFFAOYSA-N 374.326 3.395 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C3CC3)C(=O)C2)N1 587768230 LWLGPEKWGHYXJF-DYZYQPBXSA-N 367.262 3.103 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2cnc3ccccc3c2[nH]1 587568894 OYNOUFKLLWINFQ-UHFFFAOYSA-N 371.437 3.030 0 1 FGAF COc1cc(OC)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587175354 YOYRLCBKSAAEEG-LJQANCHMSA-N 356.353 3.348 0 1 FGAF Cn1cccc1CN1CCc2sccc2[C@]12CCC(F)(F)C[C@H]2N 962401169 VYRHAFPPUWUCRO-AEFFLSMTSA-N 351.466 3.487 0 1 FGAF CCOc1cc(F)c([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(F)c1 963469899 LMNIOJIBDRKRCB-YJBOKZPZSA-N 363.360 3.066 0 1 FGAF Fc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCOCC1 116193338 JRGUXFPPMCIQBH-UHFFFAOYSA-N 350.397 3.105 0 1 FGAF COc1ccccc1C1=NO[C@@H](COc2ccc3ccc(=O)oc3c2)C1 1772571361 CFJSDBLSWIHOLL-OAHLLOKOSA-N 351.358 3.374 0 1 FGAF CCCSc1nc(Sc2ccc(C)cc2)c2nnn(CCO)c2n1 1772654871 CQRPNMKROVFFMU-UHFFFAOYSA-N 361.496 3.175 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O 5820789 GEGZUKCXRBOEAP-MAEOAUKBSA-N 372.527 3.038 0 1 FGAF O=S(=O)(c1ccccc1)n1c([C@@H](O)c2ccncc2)cc2ccccc21 5939151 LUTVVMQFMOVHFI-FQEVSTJZSA-N 364.426 3.355 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCCC(C)C)N(C)[C@@H]31 12509944 DYGXQRQTIDQEEG-AYOQOUSVSA-N 354.498 3.190 0 1 FGAF Cc1cc(Br)c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)c1 13444470 LPZRNUYWFIHPTO-UHFFFAOYSA-N 363.215 3.021 0 1 FGAF CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1 13742432 HRQGWHKVUGNVNC-UHFFFAOYSA-N 361.530 3.405 0 1 FGAF COc1ccc(N2c3ccccc3-c3cc[nH]c(=O)c3[C@@H]2O)cc1OC 16978036 AEDWYDPNSABYBT-FQEVSTJZSA-N 350.374 3.202 0 1 FGAF biogenic COC(=O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169343324 CJHJEPXGHSJVEL-UHFFFAOYSA-N 352.781 3.058 0 1 FGAF CCc1nc(C)nn1-c1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)nc(C)n1 205291858 ANFVSQPZCFJSAE-GJZGRUSLSA-N 373.464 3.394 0 1 FGAF CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1 6013354 LIOMFJVXCGRTDD-AWEZNQCLSA-N 358.438 3.437 0 1 FGAF NCc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 28708333 PNBXRRJXVOABCN-NVMNQCDNSA-N 373.416 3.124 0 1 FGAF CC(=O)O[C@@H]1CC(=O)O[C@H](CC[C@@H]2[C@H](C)C=CC3=C[C@H](C)C[C@H](O)[C@H]32)C1 2356863089 VDOSGJCSBVSXDK-TVCXZZTMSA-N 362.466 3.169 0 1 FGAF C[C@@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559092 ZLWHBJIIEMDIFM-MRVWCRGKSA-N 361.463 3.086 0 1 FGAF COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1 63540183 SPYHMOFSJGTUNP-UHFFFAOYSA-N 364.384 3.051 0 1 FGAF CCC[C@@H](CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)O 34803445 AWKDTQNBJJUGCQ-HNNXBMFYSA-N 361.438 3.483 0 1 FGAF CNC(=O)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72103529 NDKYCJRBGUSFLP-HXUWFJFHSA-N 352.821 3.379 0 1 FGAF CC(=O)[C@@H](C)[C@H]1c2cc3c(cc2C(=O)c2ccc4c(c21)OCO4)OCO3 13385383 KMNCFSCPIUXTDN-XLFHBGCDSA-N 352.342 3.045 0 1 FGAF biogenic Cc1cncc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 84604806 ODJFDRMLQDQXNY-QFIPXVFZSA-N 356.429 3.297 0 1 FGAF O=C1NC(=O)/C(=C\c2ccc(OC[C@H]3COc4ccccc4O3)cc2)S1 45364645 DFEJSZCZXHPODS-VEJKBTLKSA-N 369.398 3.229 0 1 FGAF CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 90428061 MZYZWZXTHYCVHQ-VLINGGMNSA-N 354.487 3.043 0 1 FGAF O=S1(=O)C[C@@H](N2CCC(c3ccccc3)CC2)CN1Cc1ccccc1 95570757 QLRZXYHYBPMSRJ-NRFANRHFSA-N 370.518 3.080 0 3 FGAF COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OCC4 32177689 BCCJQPBCOKOJHR-RYFAJOAYSA-N 368.477 3.064 0 1 FGAF biogenic C[C@@H]1C[C@@H]2O[C@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 37538427 ZGZOBNGYHLFQFW-NKZPBKNFSA-N 368.813 3.140 0 1 FGAF biogenic COc1ccc(C(=O)Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)cc1 473099622 GYCYAKQGSNZHRZ-UHFFFAOYSA-N 359.389 3.291 0 1 FGAF COC(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1OC 586878724 GXDTYJKYPLGVCL-YFHOEESVSA-N 352.346 3.227 0 1 FGAF C[C@H](CCc1nc2cccc(I)c2[nH]1)CC(=O)O 587963211 RATLMNMJZSLKEN-MRVPVSSYSA-N 358.179 3.211 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760132 XLKZMYJSHGXNAJ-JDNHERCYSA-N 352.251 3.428 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCOCC2)N1 587834002 JOXGMDDLQSEOCU-HWPZZCPQSA-N 358.251 3.359 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCO3 586983360 BEWBVEHFGWBKLJ-GFCCVEGCSA-N 374.238 3.339 0 1 FGAF CC(C)COc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Br 586923465 MBJDHIKLHPPNAS-SNAWJCMRSA-N 373.272 3.376 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587438048 MTKCIJKGUAWQGB-KXBFYZLASA-N 373.449 3.458 0 1 FGAF N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cccc2ccccc12 587258385 JOHNSBIPMCDVQB-INIZCTEOSA-N 367.430 3.205 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3C[C@H](C)O[C@@H](C)C3)nc1)O2 587392540 BQDRKLMMOKPNHJ-CKFHNAJUSA-N 367.449 3.292 0 1 FGAF CC(C)c1nn(C)c(Cl)c1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909185 WEBGIXQKZSEPLQ-NHYWBVRUSA-N 351.809 3.024 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(Br)s1)NCC2 962925401 MHPNVVWTGATNGW-HNNXBMFYSA-N 365.296 3.448 0 1 FGAF Oc1ccc2c(c1)[C@@]1(NCC2)C(N2CCOCC2)=CSc2ccccc21 963340779 ICFRNMONKULAQY-OAQYLSRUSA-N 366.486 3.061 0 1 FGAF CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](C2CCCCC2)[C@H]1CCCO 12482521 KODSMZOHNSCWHS-MBOZVWFJSA-N 351.487 3.127 0 3 FGAF COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)o1 12577947 SCFGCSYLZGYOOL-CQSZACIVSA-N 355.369 3.420 0 3 FGAF Cc1ccc(C(=O)OCCCc2c[nH]cn2)cc1I 13747348 XKMBMTGLECYSDL-UHFFFAOYSA-N 370.190 3.112 0 1 FGAF COc1ccc([C@@H](O)[C@H](CO)C/C=C/c2ccc(OC)c(OC)c2)cc1 15117469 SHDASTAWVAKOSS-GQANSBOFSA-N 358.434 3.458 0 1 FGAF COc1cccc(CNc2nc(NC(=O)c3ccccc3)[nH]c3ncnc2-3)c1 1857557806 LYESXLMVPCHJLV-UHFFFAOYSA-N 374.404 3.178 0 1 FGAF COc1ccccc1-c1nnc(Nc2ccc(C(N)=O)cc2)c2c1CCC2 1857566282 DPFIMFBHSOYGMB-UHFFFAOYSA-N 360.417 3.483 0 1 FGAF COc1ccc(-c2nc3cnc(N=c4cc[nH]cc4)cc3n2C)cc1OC 1857644663 XRGHWXXUPJQTII-UHFFFAOYSA-N 361.405 3.213 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@@H](CCCCCCC[C@@H](O)CC(=O)O)C=CN21 2356419660 ZLNYRERDDPYJNH-RHQZKXFESA-N 353.503 3.300 0 1 FGAF O=C(c1ccccc1F)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4174034 PQXPLEUFMBVPMF-MRXNPFEDSA-N 352.287 3.327 0 1 FGAF Cc1nn(CCCC(=O)N2CCC(C)CC2)c(=O)c2cc3sccc3n12 6749417 UJANSNXCQMCBTJ-UHFFFAOYSA-N 372.494 3.058 0 1 FGAF CCc1c(Sc2ccccc2)n(COCc2ccco2)c(=O)[nH]c1=O 28130556 HCFQZYIHSQEWKE-UHFFFAOYSA-N 358.419 3.018 0 1 FGAF NC1=N[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)C2=NCCCN12 34659645 MVTVKWUNLOATLP-GOSISDBHSA-N 358.367 3.382 0 1 FGAF C[C@]1(O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O 14486898 OOKFBDCOCDSZFS-OFDAHSHWSA-N 350.455 3.308 0 1 FGAF biogenic COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(F)cn1)C2 226053718 XMXVFWLZSGTLEQ-MAZHCROVSA-N 359.376 3.226 0 1 FGAF COc1ccccc1[C@@H](O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 137527816 VSFBOTWBXXGODA-FQEVSTJZSA-N 373.412 3.419 0 1 FGAF CCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 142984952 ANFVSQPZCFJSAE-HUUCEWRRSA-N 373.464 3.394 0 1 FGAF O=C1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1CCc1ccc(Cl)cc1 299847323 AMRPDRKKGBUQSS-OFQRWUPVSA-N 360.841 3.252 0 1 FGAF CC(C)=CC(=O)Nc1sc(=Nc2ccc3ccccc3c2)[nH]c1C(N)=O 473164986 LKNZPDOEQWSSHI-UHFFFAOYSA-N 366.446 3.465 0 1 FGAF CCOC(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597256 QJWKSRLBSJRVOE-NQIIRXRSSA-N 368.385 3.456 0 1 FGAF CCOC(=O)Cc1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166972 LOFUYFVMVYLGGH-MDZDMXLPSA-N 367.380 3.460 0 1 FGAF Fc1ncc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587177941 ICNVHIAVTQEQRZ-UHFFFAOYSA-N 350.147 3.298 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCCCc1ccccc1)O2 587386498 JZVIKVCOWPVOGP-JOCHJYFZSA-N 366.461 3.440 0 1 FGAF O=C(c1cc(-c2ccccc2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587655202 WAKYGXPOKIDQTG-UHFFFAOYSA-N 350.765 3.129 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(-c3cncc(F)c3)nc2c1 587177055 MRLHAJHRVNQOJQ-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(C)c1N(C)C)[C@@H](C2)C3=O 587432517 PVVFRRNDPLBUKK-ORAYPTAESA-N 355.438 3.107 0 1 FGAF [O-][n+]1ccccc1SCc1nc2ccc(Br)c(F)c2[nH]1 586970107 VSEJWTQCLZMJHB-UHFFFAOYSA-N 354.204 3.390 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(N)=O)cc2[nH]1)C1CCCC1 587227526 ZCOYBYOLKUVNFE-OAHLLOKOSA-N 358.442 3.418 0 1 FGAF C[C@]1(CCn2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343211 SCZXFYWCSCBMRZ-AZUAARDMSA-N 367.380 3.331 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2c(C)ccnc2[nH]1)C(F)(F)F 587092395 LVRJUSINIAIQTN-INIZCTEOSA-N 350.344 3.430 0 1 FGAF CN(Cc1nc2ccc(Cl)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169750 JPLAJGGOSSBKMA-UHFFFAOYSA-N 353.806 3.176 0 1 FGAF Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)NCCc3ccc(O)cc32)c(C)c1 963327928 BMGMGRYHFYOGKB-ICSRJNTNSA-N 353.422 3.144 0 1 FGAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)nc2cc(Cl)ccc21 962906108 XBBLFKFGPWUJIH-GOEBONIOSA-N 359.788 3.054 0 1 FGAF CN(C)CCOc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)cc1 1772655613 SJFVFISZPLTGLW-UHFFFAOYSA-N 374.448 3.500 0 1 FGAF COCC(=O)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 12725640 VWZFBFJGTKKZGI-UHFFFAOYSA-N 358.825 3.123 0 3 FGAF COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN)cc3)oc2c1 169351474 BMJSWWZJEUWLLJ-UHFFFAOYSA-N 355.390 3.205 0 1 FGAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](O)CC2 1652552 JHFPQOLAHRTDAC-CQSZACIVSA-N 374.458 3.441 0 1 FGAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCOC)cc21 3060474 USKHRBCRAHICKL-UHFFFAOYSA-N 356.447 3.194 0 1 FGAF COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccccc3)c2n1 4238569 FSRRTWYIVWRRPL-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C[C@H](C)N1 28006874 YNLMVLOZEASXEZ-BXFVGNANSA-N 362.558 3.453 0 1 FGAF COc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 28770904 IJLORKCOLWFAOG-HXUWFJFHSA-N 355.478 3.390 0 1 FGAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccn3)cc2)C1 61926079 YTNOXFFWGVCSRB-QFIPXVFZSA-N 367.493 3.113 0 3 FGAF O=C(c1n[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1 113252850 MFGMPCAQSBOEJR-UHFFFAOYSA-N 374.400 3.328 0 1 FGAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1 33819156 QFKKCJIHGIAESG-FQEVSTJZSA-N 355.397 3.232 0 1 FGAF CCOc1ccc2c(c1)NC1=C(C(=O)OC1)[C@H]2c1cc(OC)cc(OC)c1 40413059 YZWUXEFGACEIEV-IBGZPJMESA-N 367.401 3.471 0 1 FGAF O=C(c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1)N1CCOCC1 82136313 CSVSPCXGGOPPSU-UHFFFAOYSA-N 370.428 3.110 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2[C@@H](C)CCC[C@@H]2C1 40503487 IDNZRSXQOGDYGG-RWMBFGLXSA-N 351.878 3.066 0 1 FGAF CCC[C@H](C[C@H](CCc1ccc(OC)c(O)c1)OC(C)=O)OC(C)=O 238770441 WUXDXKPKJWWNDQ-SJORKVTESA-N 352.427 3.387 0 1 FGAF CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(N3CCCCC3)cc2n1O 653717496 YDCQWRJFCJFGLM-UHFFFAOYSA-N 374.314 3.144 0 1 FGAF Brc1ccc(Cc2nnc(Cn3nnc4ccccc43)o2)cc1 653723311 QZWBGGQXMUZRSL-UHFFFAOYSA-N 370.210 3.216 0 1 FGAF CCn1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587370577 GLOZKHMXMRSBQK-ZDUSSCGKSA-N 350.216 3.263 0 1 FGAF CCOc1ccccc1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 587779573 AVZJNQSVGIBACY-UHFFFAOYSA-N 355.438 3.481 0 1 FGAF CS(=O)(=O)c1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587216818 NSNKERQBPFAZAC-UHFFFAOYSA-N 367.426 3.031 0 1 FGAF Sc1nc(S)c2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 586979800 VOZXFMRMAJQCGL-UHFFFAOYSA-N 374.676 3.408 0 1 FGAF CCn1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(F)(F)F 587419565 CVXLWEGACUCVAR-BMIGLBTASA-N 352.312 3.419 0 1 FGAF Cc1cc(Br)c(-c2nc3c(O)nc(S)nc3[nH]2)cc1F 587137976 UZPFZSZFCACWHK-UHFFFAOYSA-N 355.192 3.224 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587838592 OHCQFXJNGOVZGR-WFQKOJPZSA-N 368.246 3.408 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCOCC4)c1)[C@@H](C2)C3=O 587445365 WBFNILULJHJCSL-PGRDOPGGSA-N 365.429 3.195 0 1 FGAF Cc1c(C(=O)NCc2nc3ccccc3[nH]2)[nH]c2ccc(Cl)cc2c1=O 1772599974 BQOBNNLKPBBCGJ-UHFFFAOYSA-N 366.808 3.296 0 1 FGAF CNC(=O)c1noc2c1C[C@]1(C)c3cc(OC)ccc3CC[C@H]1C2(C)C 1772592663 QYHQOUJVNPFRCL-HRAATJIYSA-N 354.450 3.397 0 1 FGAF CCC1(CC)NC(=S)N(c2ccc(I)cc2)N1 1772578270 SXWGWBKJXJGDOR-UHFFFAOYSA-N 361.252 3.007 0 1 FGAF CC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccn1 1772633029 KAWFWIHPXVOMDC-CQSZACIVSA-N 365.441 3.226 0 1 FGAF O=C1NS(=O)(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 13805297 XJYGVDVDXDQTNB-UHFFFAOYSA-N 364.426 3.348 0 1 FGAF CN(C)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 13983165 AITUVWNTUJSLMG-UHFFFAOYSA-N 364.445 3.357 0 1 FGAF CCCCC[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622150 QJADFBZNTPJMDY-QLSSOSBMSA-N 352.471 3.251 0 1 FGAF CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622193 MZYZWZXTHYCVHQ-HOJKLPIESA-N 354.487 3.043 0 1 FGAF COCCOC(=O)CCOc1ccc(-c2ccccc2)cc1C(=O)OC 1857585778 LKXAJFXMVFXICD-UHFFFAOYSA-N 358.390 3.099 0 1 FGAF CCCC[C@H](CC)CN1C=N[C@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@H]21 1857619801 LROKOVKTZKIJLR-BEVDRBHNSA-N 370.497 3.021 0 1 FGAF Cc1cc(SCc2cn(-c3ccccc3)nn2)ccc1OCC(=O)O 53243944 QJBKEDMTJZCIII-UHFFFAOYSA-N 355.419 3.331 0 1 FGAF COc1ccc(-n2nc(C)n(CCSc3ccccc3F)c2=O)cc1 58591334 QFXCIYXOTXFXGN-UHFFFAOYSA-N 359.426 3.282 0 1 FGAF Cc1cc(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)n[nH]1 113334624 RCUFJSPQSAHGNP-CRAIPNDOSA-N 353.470 3.033 0 1 FGAF CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)ccc23)C1 27738277 VNALAIYBURUVJL-HNNXBMFYSA-N 358.482 3.280 0 1 FGAF COc1cc(O)c2c(=O)c(C)c(C=Cc3cc(O)cc(O)c3)oc2c1OC 2356625848 BFDAJFKMZRCGHD-UHFFFAOYSA-N 370.357 3.406 0 1 FGAF COC(=O)c1ccc(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2356742591 JUYDKUIHCPHEII-JOCHJYFZSA-N 362.429 3.110 0 1 FGAF CC[C@H](C)n1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O 33825066 BPZIAGQPPMDDCP-NSHDSACASA-N 351.497 3.144 0 1 FGAF COc1ccc2c(c1OC)-c1c(O)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 14639590 WLPRMOITFOIWQB-CYBMUJFWSA-N 371.433 3.179 0 1 FGAF biogenic COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1OC 14886872 OSHUAWJIVOSKAB-WFKPPMRMSA-N 368.477 3.301 0 1 FGAF biogenic COc1cc(Nc2cncc(-c3ccc(CO)cc3)n2)cc(OC)c1OC 34635114 YULVNJAHDFXZIB-UHFFFAOYSA-N 367.405 3.405 0 1 FGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1ccc(F)cc1 73159572 DKJVZOXYGWSLQE-QUCCMNQESA-N 358.365 3.224 0 1 FGAF Cc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)c(C)c1 40943249 PTDQBXWSBRPDIC-UHFFFAOYSA-N 372.446 3.145 0 1 FGAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1 95577622 UMLMJLPXSRDUHS-OAQYLSRUSA-N 357.417 3.185 0 1 FGAF CCC(CC)(CO)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1 149236978 YTASQZWAQNJOJP-UHFFFAOYSA-N 360.376 3.181 0 1 FGAF CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(C)=O)cc12 96273856 JKEDHQNDVWMJPW-UHFFFAOYSA-N 365.389 3.168 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1cnn(C)c1)O2 587384844 PNYWERIXQPTZRA-FQEVSTJZSA-N 351.381 3.359 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cnc2[nH]1 587052868 QPVHXESGLBVLCP-SNVBAGLBSA-N 367.634 3.322 0 1 FGAF CC(C)[C@]1(Cn2cncn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760026 NSKVALDQNIYNGN-ZBEGNZNMSA-N 367.266 3.265 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1CCN(CC1)C2 587588080 JINLGONGUUDDOP-GHTZIAJQSA-N 351.402 3.208 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCOCC2)N1 587769503 BFULTYZCGGPCPJ-YVEFUNNKSA-N 371.294 3.060 0 1 FGAF N=c1nc(O)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c[nH]1 587253193 DCUIGINPNRXVNA-UHFFFAOYSA-N 360.402 3.415 0 1 FGAF CC(C)(C)OC(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587552586 ADEYZZDNDWKSLO-UHFFFAOYSA-N 354.366 3.450 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc12 587785336 NCMAYBMJFMBCBD-LSDHHAIUSA-N 350.374 3.293 0 1 FGAF CN(C)CCOc1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587088827 SGTXXAQTSGQTBT-GFCCVEGCSA-N 350.413 3.253 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCC(=O)O)cc1)[C@@H](C2)C3=O 587441096 JBKSCTUHYINRJK-YWZLYKJASA-N 354.358 3.037 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1[C@@H](C(=O)O)NC[C@@H]1CC3 587107732 UTOSYUJXGWQPPY-XABWTFMKSA-N 370.408 3.149 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1OC 587115210 IKASOYDTPUZOFA-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF CN(C)/C=C\[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517887 WSYANCNEBJNHKF-KUFMOJEASA-N 351.450 3.235 0 1 FGAF FC(F)COc1cccc(-c2nc3ncc(Br)cc3[nH]2)n1 587123485 KCNXQPJUVZMYIT-UHFFFAOYSA-N 355.142 3.426 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)CCCC2=O)N1 587818077 PNTNXYCMGMJSNG-XLFHBGCDSA-N 368.246 3.276 0 1 FGAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]3CCCCN23)CCC1 685935388 HTZABNNPQGCYSI-LLVBAIKDSA-N 357.542 3.240 0 1 FGAF biogenic,in-vitro COC(=O)c1cc(Cl)ccc1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962915065 TTXGZRNUMHFSMC-IBGZPJMESA-N 361.873 3.393 0 1 FGAF Cc1c(O)ccc2c1[C@@](c1cccc(F)c1)(C(F)(F)F)N[C@H](C(=O)O)C2 963465314 BORFBVUGHHPROZ-GUYCJALGSA-N 369.314 3.245 0 1 FGAF COC(=O)c1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)on1 963005044 FYEURJFJBYVWMZ-KRWDZBQOSA-N 355.419 3.065 0 1 FGAF CCCC[C@H](O)c1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1 1772654241 IDUIQRTUMQUYNT-KRWDZBQOSA-N 368.437 3.497 0 1 FGAF O=S(=O)(Cc1ccc(Cl)cc1)n1c(O)nc2ccc(Cl)cc21 1772609448 MYOSQRYXSXMDDL-UHFFFAOYSA-N 357.218 3.427 0 1 FGAF CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 5207173 FXSBFPIWUAJKCX-MVJTYMMSSA-N 353.418 3.345 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 13339045 WGCXTGBZBFBQPP-VPQZNVDISA-N 366.498 3.340 0 1 FGAF Cn1ncc2c(Oc3ccc4[nH]c(=Nc5ccccc5)[nH]c4c3)ncnc21 1857749273 GSQMEGSMKMZZHH-UHFFFAOYSA-N 357.377 3.197 0 1 FGAF Cn1cccc1C(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1 3956405 GSGSSQVAZQNKKR-UHFFFAOYSA-N 358.511 3.000 0 1 FGAF CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc21)C(C)(C)C 4093334 VDWGQYMBLKWTQX-UHFFFAOYSA-N 373.541 3.371 0 3 FGAF COc1cc(CN2Sc3ccccc3[S@@]2=O)cc(OC)c1OC 6483654 QVJQHCYEYYVEMX-HSZRJFAPSA-N 351.449 3.258 0 1 FGAF O=c1cc(CSc2nncn3c2cc2sccc23)nc2ccccn12 6893759 NNEJEEPWUIVGNT-UHFFFAOYSA-N 365.443 3.244 0 1 FGAF CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568267 MIXZPWBCEXVAQM-ICGDKRAJSA-N 357.494 3.360 0 1 FGAF in-vivo COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(OC)cc1 58583574 AAMMZLOLLOENJZ-SFHVURJKSA-N 373.449 3.445 0 1 FGAF COC(=O)c1c(O)cc(O)c(CO)c1OCC=C(C)CCC=C(C)C 2356427286 VBSHZLVYRHEDJB-UHFFFAOYSA-N 350.411 3.448 0 1 FGAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CNCC2 27985761 CPTXOMBXKONWSD-UHFFFAOYSA-N 356.369 3.152 0 1 FGAF COc1ccc(C[C@@H]2COC(=O)C2=Cc2ccc3c(c2)OCO3)cc1OC 2356579879 GVNUFBXIXQNOCF-OAHLLOKOSA-N 368.385 3.232 0 1 FGAF COc1ccc(Sc2ccccc2N2CCN(CC(=O)O)[C@H](C)C2)cc1 36143360 XGVHIDAKYZOTDN-OAHLLOKOSA-N 372.490 3.442 0 1 FGAF C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12 43176957 VQYHPUHKYSSEOB-ZDUSSCGKSA-N 355.405 3.225 0 1 FGAF in-vivo CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccno4)n3)ccc21 95755357 WAMQJUHKXYEEEU-UHFFFAOYSA-N 368.418 3.350 0 1 FGAF COc1cccc2c1[C@@H](c1ccc3c(c1)C(=O)C[C@@](C)(O)C3)O[C@H]2OC 238786378 XDJZKGNJUWDOAH-NJYVYQBISA-N 354.402 3.340 0 1 FGAF O=C(Nc1nc(Cc2nc3cccc(O)c3[nH]2)cs1)c1cccc(O)c1 587019932 SSSGIQMVYCZDEW-UHFFFAOYSA-N 366.402 3.274 0 1 FGAF C[C@@H]1O[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586917875 XEFSPGYZECVDOB-BJOHPYRUSA-N 363.826 3.477 0 1 FGAF CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587385741 PNKTZEWANGXWBP-IBGZPJMESA-N 361.344 3.279 0 1 FGAF COC(=O)CC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592730 JXMXVDGVVUDGPK-YTUHDDQASA-N 354.358 3.066 0 1 FGAF CC[C@]1(Cn2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344647 XIKVXVZYAGWCDB-UYAOXDASSA-N 367.380 3.331 0 1 FGAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C 587583061 TWMRAGRWDFHFBI-PXNSSMCTSA-N 350.374 3.311 0 1 FGAF CCn1ncc(Br)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378537 UWUOTJPTLKQYLR-INIZCTEOSA-N 364.243 3.437 0 1 FGAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)Cc3ccccc3)cc2C1 1772624133 SRWQGFJCCCFXAN-UHFFFAOYSA-N 363.417 3.256 0 1 FGAF Nc1nc(N)c2nc(CN3c4ccccc4Oc4ccccc43)cnc2n1 5939633 KPLPHRUKUJCKFM-UHFFFAOYSA-N 357.377 3.028 0 1 FGAF O=C(O)C[C@H](Sc1cccc(NC(=O)[C@H]2CCCN2)c1)c1cccnc1 13589287 WDTNHXYMMBSEOO-SJORKVTESA-N 371.462 3.080 0 1 FGAF CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC 14954024 XSFGXVBMHUSTNL-UHFFFAOYSA-N 350.382 3.088 0 1 FGAF C[C@H](N=O)c1cnc2nnn([C@@H](C)c3c(F)cc4ncccc4c3F)c2n1 169694295 DRYLGEUQKOWFAZ-IUCAKERBSA-N 369.335 3.484 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3nc(C)ccc3F)C2)cc1 169709237 MTRXDOCZEYNRBC-KSSFIOAISA-N 357.429 3.384 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2cccc(F)c2F)nc2ccccn12 1857603747 XGMPVRIAIBNQNY-UHFFFAOYSA-N 372.375 3.395 0 1 FGAF O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)[C@H]1C(=O)c1cccs1 109430945 UROSSQCXPFRKPA-RYUDHWBXSA-N 374.468 3.422 0 1 FGAF Cc1cnsc1[C@@H](c1ccc(CC(C)C)cc1)N1CCN(CCO)CC1 28251321 ZNPJZYLEBJAUGV-HXUWFJFHSA-N 373.566 3.349 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 5984978 FFVRRQMGGGTQRH-XBLMQXIHSA-N 354.450 3.042 0 3 FGAF biogenic Cc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1 34837443 UUKXPTABDYCDDA-UHFFFAOYSA-N 352.467 3.062 0 1 FGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccoc4)cc3c12 36242940 OTFYWELOCYDGRZ-UHFFFAOYSA-N 371.400 3.364 0 1 FGAF CN1C(=S)N(c2ccc3c(c2)CCC3)C(=O)/C1=C/c1ccc(O)cc1O 210797681 MJJSYWVUFGCDIG-YVLHZVERSA-N 366.442 3.191 0 1 FGAF CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCC(C(=O)O)CC3)n2n1 79025888 YFWMXLQECMTCEO-UHFFFAOYSA-N 370.375 3.347 0 1 FGAF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(O)cc4occc4c3O[C@@H]1CO2 14585542 WEMVDFMZCALBHH-IAGOWNOFSA-N 368.341 3.276 0 1 FGAF biogenic CN1CCC=C([C@@H]2CN(C(=O)c3cc(Cl)ccc3Cl)CCO2)C1 49072578 DWINDGSUAHBRPZ-INIZCTEOSA-N 355.265 3.096 0 1 FGAF CC(=O)Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 45283449 VRILQOLTKCKVHJ-UHFFFAOYSA-N 359.499 3.104 0 1 FGAF CNc1c(Br)cnc2[nH]c(-c3ccc(OC)c(OC)c3)nc12 84618001 JCEOTSGAIZXXKN-UHFFFAOYSA-N 363.215 3.446 0 1 FGAF Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cccnc1)c1ccccc12 84711532 MUKXKOCBOOPKSB-UHFFFAOYSA-N 373.460 3.027 0 1 FGAF C=C(c1c(C)ccc(Cl)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1 40466754 ANKGPSXFXHCLHL-HNNXBMFYSA-N 363.889 3.492 0 1 FGAF COc1cc(OC)cc(-c2nc(C(=O)OC[C@@H]3CCCN3C)cs2)c1 82086405 CTJALUDLQSJGDT-ZDUSSCGKSA-N 362.451 3.078 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccsn4)ncc23)ccn1 261180715 WAYUTCGXHLYPBS-UHFFFAOYSA-N 365.422 3.107 0 1 FGAF O=C(N[C@H]1CCCC[C@@H]1N1CCCC1)[C@@H]1CCCN1Cc1ccccc1 621431683 WVEFLIUCPRRJJS-ACRUOGEOSA-N 355.526 3.174 0 1 FGAF O=C(Nc1ccccc1)C1=Cc2ccc(Br)cc2S1(=O)=O 473153318 AGLVSTRLNMQBGI-UHFFFAOYSA-N 364.220 3.216 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C1CC1)CC2 587581650 IPGKSPFWBOMXCX-SFHVURJKSA-N 351.402 3.351 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587177972 JTSOUYIFYRNHQE-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2)[C@@H]1n1cncn1)CC4 587210440 BRTZMIKMGMAWIT-FYYLOGMGSA-N 366.424 3.423 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152416 MXNNDLADAXGACU-MNOVXSKESA-N 350.346 3.359 0 1 FGAF Fc1cc(Br)cnc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587155409 LFWDAPJZKHBGHH-UHFFFAOYSA-N 362.084 3.287 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587195002 QCNAECIPNNJDPG-UHFFFAOYSA-N 367.638 3.205 0 1 FGAF Oc1nncc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587121574 CTIBNRIOFFIIPD-UHFFFAOYSA-N 356.329 3.391 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2)N1 587827998 NEADZCRHIJQMAQ-QGHHPUGFSA-N 364.214 3.451 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c([C@H](C(C)C)N(C)C)nc2c1 587198538 JEDWQSQLXUAQNC-ZDUSSCGKSA-N 354.248 3.371 0 1 FGAF CC(C)[C@@]1(Cn2cncn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587760018 NSKVALDQNIYNGN-BDJLRTHQSA-N 367.266 3.265 0 1 FGAF COC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039713 DURDWBFVUSSVBS-DLBZAZTESA-N 353.447 3.296 0 1 FGAF Cc1ccc(OCc2nc3cc(I)cnc3[nH]2)cc1 587565744 RUZMPVSAYNSUEK-UHFFFAOYSA-N 365.174 3.450 0 1 FGAF COc1ccc2c(c1)CC[C@@H]([C@@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)C2 962895780 IJFYFISGKBOYSD-UAOJZALGSA-N 355.409 3.279 0 1 FGAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(F)cc1 13607624 GVIWHMYQGQFKBU-OAHLLOKOSA-N 373.453 3.402 0 1 FGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C(C)(C)C)c1 169706984 SQFYPKHXWMYIFQ-MRXNPFEDSA-N 368.481 3.332 0 1 FGAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)C1=O 169720223 JVOIFHQOWOVREC-YUNKPMOVSA-N 353.443 3.232 0 1 FGAF O=C(NC(=O)c1ccc(F)c(Cl)c1)Nc1nnc(C(F)(F)F)s1 1037891 GBTDSQVJSAMRJB-UHFFFAOYSA-N 368.699 3.311 0 1 FGAF COc1cc(C(=O)[C@H](C)O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 2356340093 HGNCUGBLVCHIIJ-ADWYPQAOSA-N 356.374 3.225 0 1 FGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)CC1 2356298695 UUYKOQOYMAXIMZ-QKNQBKEWSA-N 370.541 3.250 0 1 FGAF Cc1ccsc1[C@@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1 100276009 CSSARJKEGIDOKL-GJZGRUSLSA-N 369.398 3.394 0 1 FGAF CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(C(C)C)c3)c12 114773244 ASRUZXIOSOTWSC-UHFFFAOYSA-N 355.442 3.496 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(C)cc1Cl 28637251 BANYPWGZBGTWFD-OAHLLOKOSA-N 357.859 3.432 0 1 FGAF NCC(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28826989 APORIKJNLVVUNX-GOSISDBHSA-N 360.350 3.245 0 1 FGAF CCCCO[C@@H]1c2c(cc(OC)c(C(C)=O)c2OC)OC(C)(C)[C@@H]1O 13305686 JMGXWHJPYZENAF-QZTJIDSGSA-N 352.427 3.296 0 1 FGAF biogenic C[C@H]1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc2n(c1=O)CCS2 1911570827 XMNPMQXHPBJBLZ-IINYFYTJSA-N 353.447 3.250 0 1 FGAF CCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 40896523 RTVLLHCNTYJZTK-UHFFFAOYSA-N 353.253 3.161 0 1 FGAF Sc1nnc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)o1 40899317 KWHHDMZBYYHELS-UHFFFAOYSA-N 368.447 3.293 0 1 FGAF Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 1911579157 LUYAEKMVVQUSGP-UHFFFAOYSA-N 370.474 3.483 0 1 FGAF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)O)sc(C)c1C 195394947 CTESPVHSEOQRTH-OXHZDVMGSA-N 363.435 3.003 0 1 FGAF CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205832 QKXICLQJLLZDNH-HZPDHXFCSA-N 360.502 3.321 0 1 FGAF O=C(O)CCCNC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O 146690513 FTCUDOFYRBMPLE-UHFFFAOYSA-N 366.373 3.327 0 1 FGAF O=C(O)CCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 473107054 HETCMPWARKLRJC-UHFFFAOYSA-N 356.330 3.115 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CSc1nc(C)cc(C)n1)[C@@H](C2)C3=O 587447491 AOJXBMNZIZARSZ-IFXJQAMLSA-N 356.447 3.400 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O 587442391 JFOMREQQLBIODW-KSFYIVLOSA-N 363.413 3.267 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC(C)=O 587400646 RUJOVBBKVBGUNC-INIZCTEOSA-N 371.389 3.226 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC1OCCO1)O2 587407636 DHDMPJCEMIDICU-GOSISDBHSA-N 355.390 3.035 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cc(F)c2[nH]1 587248730 VEUGOTLBOSOZOQ-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CCOC(=O)C[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598768 VGSAXUHONLRKAE-PXNSSMCTSA-N 356.374 3.456 0 1 FGAF O=C(N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)O)OCc1ccccc1 587202709 KYHAFACXHAKUAR-HNNXBMFYSA-N 373.796 3.138 0 1 FGAF COCCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756141 QZHYHNULUNSCTK-MEBBXXQBSA-N 368.250 3.055 0 1 FGAF O=C1C[C@@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605069 XDRKJMDPJZQZIP-UFUGXISJSA-N 350.370 3.482 0 1 FGAF C[C@@H]1C[C@]2(CC(=O)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356988 LTODEWMPCSQKBY-ZUNHGIIWSA-N 356.349 3.355 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccn1 962646109 WLKYHEQFIFXRIJ-RDJZCZTQSA-N 366.339 3.151 0 1 FGAF FC1(F)CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772637551 GMAIABVKKCYJAQ-JOCQHMNTSA-N 360.412 3.220 0 1 FGAF CNC(=O)c1cc2c(Oc3ccc(C4(CO)CC4)cc3)cncc2s1 13864454 ORLGNFCLIXMMAV-UHFFFAOYSA-N 354.431 3.472 0 1 FGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)ccc14)[C@@H]32 14829277 NAMSIRMSFVGAKD-FKBYEOEOSA-N 368.477 3.454 0 1 FGAF biogenic CCCCCCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C)c1 169317352 UOPNMTWRPJBZNC-GOSISDBHSA-N 365.518 3.435 0 1 FGAF CC1=NC(=O)N[C@H](c2ccc(F)cc2)[C@H]1C(=O)Nc1ccc2[nH]ncc2c1 169685544 ANFRYCSWUISTKS-DLBZAZTESA-N 365.368 3.182 0 1 FGAF COCc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1COc2ncccc21 205624594 NETGQGUFXRUGFA-CQSZACIVSA-N 367.232 3.327 0 1 FGAF C[C@H]1CC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857646894 AWLUNBKNRADLNR-WFASDCNBSA-N 358.388 3.302 0 1 FGAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1ccc(F)cc1 1857747035 ZKUFZKFSBDSMMH-UHFFFAOYSA-N 362.162 3.021 0 1 FGAF COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1 4885100 MWUVTCYCKYJPLA-UHFFFAOYSA-N 351.406 3.384 0 3 FGAF aggregator COc1ccc([C@H]2NC(=O)Nc3c2c(=O)oc2ccccc32)cc1OC 6041175 DJFNUSGEKWWPTK-MRXNPFEDSA-N 352.346 3.035 0 1 FGAF O=C1OC[C@H]2CCN(Cc3ccc4c(c3)OCO4)Cc3ccc(F)cc3N12 2356290703 ZIDGJQKVIWSZHI-MRXNPFEDSA-N 370.380 3.286 0 1 FGAF CS(=O)(=O)N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1 103303256 ZXNRMVMIMUJMGG-UHFFFAOYSA-N 365.886 3.297 0 1 FGAF O=C(O)CCCOc1cc2c(cc1Cl)C(=O)N(C1CCCC1)C2=O 29480858 WROSOXFOXBXMGY-UHFFFAOYSA-N 351.786 3.122 0 1 FGAF COc1cc2c(c(O)c1OC)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 69482325 GBUQJVLCWBIHSU-CYBMUJFWSA-N 371.433 3.179 0 1 FGAF biogenic,in-vitro CO[C@@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c1ccccc1 2356755924 DRIVJEVMJVKUHC-TZIWHRDSSA-N 353.418 3.104 0 1 FGAF CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccno2)cc1OC 64979530 HYHHAALSVGDPLI-CQSZACIVSA-N 350.440 3.303 0 1 FGAF CC(=O)Cc1cccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c1 35792313 HPSGNLPKUWWXQQ-OAQYLSRUSA-N 371.502 3.280 0 1 FGAF Nc1nc2ccccc2nc1NC(=O)C1CCN(Cc2ccccc2)CC1 73200444 XISFZFDFLALSPG-UHFFFAOYSA-N 361.449 3.063 0 1 FGAF CC(C)(C(=O)Nc1ccncc1)n1cc(-c2ccc3c(c2)OCCO3)cn1 74387661 DGCFEVFPEPGPAD-UHFFFAOYSA-N 364.405 3.090 0 3 FGAF O=c1cc(CSC(=S)N2CCOCC2)oc2cc(Cl)ccc12 42922362 YONPZOUECGLHLQ-UHFFFAOYSA-N 355.868 3.297 0 1 FGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82069231 DDNMUOQCEUCNOG-QGZVFWFLSA-N 364.401 3.164 0 1 FGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cn3ccsc3n2)n1 142080850 SIOKSJUACLFGPZ-DGCLKSJQSA-N 372.454 3.340 0 1 FGAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=C[C@H](O)C[C@@H]31)CC(=O)O 85842377 IAFJTWYMXVDEMA-QVVNENKNSA-N 350.455 3.164 0 1 FGAF CC(C)n1c(=O)c2ccccc2n1Cc1cn(Cc2cccs2)nn1 199393632 NTQOUSHAJGVYJF-UHFFFAOYSA-N 353.451 3.134 0 3 FGAF O=C(O)c1cc(Nc2ccc3ccccc3c2S(=O)(=O)O)ccc1O 238757197 CMDATXJJFYDMIU-UHFFFAOYSA-N 359.359 3.234 0 1 FGAF COc1cc2c(cc1OC)C(=O)CCc1cc3c(cc1CN(C)C2)OCO3 31161657 RZIBMZJGPGTCIM-UHFFFAOYSA-N 369.417 3.193 0 1 FGAF biogenic Cc1cc(C)c2c(=O)n(-c3ccc(Br)cc3)c(S)nc2n1 68571936 ORJLCTOOMIBYIF-UHFFFAOYSA-N 362.252 3.449 0 1 FGAF biogenic CCc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2N)n1 653826112 YRQLWAJVCWHDPN-UHFFFAOYSA-N 353.451 3.347 0 1 FGAF CCOC(=O)C[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425235 ANPZABZUVZCKGJ-QVKFZJNVSA-N 370.376 3.430 0 1 FGAF c1cncc(-c2noc(SCc3nc4cc5c(cc4[nH]3)OCCO5)n2)c1 586966333 BMVKLXPYTLGYDM-UHFFFAOYSA-N 367.390 3.071 0 1 FGAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC 587441984 NKWZEEBNOXJCAR-FOIQADDNSA-N 368.385 3.369 0 1 FGAF Cc1ncncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587778694 OKDKCPQTMFAFKE-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)OC1([C@H]4C[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587443836 MDTDKXQVUKPPNS-YDHLFZDLSA-N 371.433 3.068 0 1 FGAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587938641 XZGRFQQXFASGKK-SGTLLEGYSA-N 353.422 3.110 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(O)cc1O)O2 587374984 AVRZZINROMFYEU-OAHLLOKOSA-N 364.195 3.457 0 1 FGAF COc1ccc(OC)c(-c2nc3ccnc(Br)c3[nH]2)c1OC 587798835 WLRSAFNOYGGNSH-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF O=[S@@](Cc1nc2c(O)ncnc2[nH]1)C(c1ccccc1)c1ccccc1 586961324 UUIGOEMJYGBDBY-SANMLTNESA-N 364.430 3.097 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3cc(Br)ncc3[nH]2)n1 587119578 ZTUMJVUBFALXSR-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF C[C@@H]1[C@H](C)N(Cc2ccccc2)C[C@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@@H]1C 963289923 RVGYCISFLWEWFG-CQPVENIASA-N 361.489 3.164 0 1 FGAF C[C@]1(c2ccc(O)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962675169 WXSVSOGTTXTZTK-VXKWHMMOSA-N 362.429 3.303 0 1 FGAF Cc1c(S(=O)(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccccc12 203664168 MPLPPBTUNWFCRG-UHFFFAOYSA-N 357.479 3.063 0 1 FGAF Cc1cccc(C#CC=C2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 148392359 MMLDPNAFXASCHF-UHFFFAOYSA-N 366.486 3.294 0 1 FGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(C)ccc3F)C2)cc1 1772589288 FBEWDEJQKIEQBT-MAUKXSAKSA-N 371.456 3.426 0 1 FGAF CCCCC[C@@H](O)/C=C\[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 11592552 PXGPLTODNUVGFL-AZLNKLDZSA-N 354.487 3.043 0 1 FGAF Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)c(C)c1 13343056 KKVDGTLONVNXJR-HNNXBMFYSA-N 367.854 3.451 0 1 FGAF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709148 REJFSGIXPXYPPU-MGPUTAFESA-N 369.465 3.335 0 1 FGAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC)COC 28956141 UTEQUUCZKPHPNW-UHFFFAOYSA-N 360.458 3.170 0 1 FGAF CC(C)OC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1F 28638211 YTKOXCUVRRISFJ-HNNXBMFYSA-N 359.394 3.137 0 1 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)N[C@@H](CO)CC(C)C)[C@H](CC)C1 2356823422 GMLSNKCWIYMGPT-GUDVDZBRSA-N 368.562 3.355 0 1 FGAF C=C(C)[C@@H]1Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2OC)CO3)O1 14825568 HRRLYEDDDAJRSW-CABCVRRESA-N 368.385 3.345 0 1 FGAF biogenic Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCCC(C)C)N(C)[C@H]31 36378296 DYGXQRQTIDQEEG-IPELMVKDSA-N 354.498 3.190 0 3 FGAF COc1oc(=O)c2cc(NC(=O)c3ccccc3C(=O)O)ccc2c1Cl 40466068 YYUOUMYVNAJSJO-UHFFFAOYSA-N 373.748 3.406 0 1 FGAF COC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1[S@@]2=O 40587742 NKUSUAHXFNBDLN-RTPXLCRESA-N 357.269 3.005 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccccn3)C2)O1 96018809 HQXUOTKTKLXUTC-FPOVZHCZSA-N 359.514 3.244 0 3 FGAF CC(=O)N(C)C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1CC1CC1 95894876 MPAVIBGXRANZTP-VABKMULXSA-N 368.521 3.271 0 1 FGAF O=C1NC[C@@H](Cc2ccc(O)cc2)N(CCCCC2CCCCC2)C1=O 95600960 LFASAFXONIDNIY-GOSISDBHSA-N 358.482 3.012 0 3 FGAF Cc1nn2c(=O)cc(-c3ccc4c(c3C)OCO4)[nH]c2c1-c1ccccn1 653663970 JJNKACRSVFAOTA-UHFFFAOYSA-N 360.373 3.097 0 1 FGAF CCOC(=O)COc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399267 HZEAQKCHULLWSJ-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF CCOC(=O)Cc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587026442 XFAZIYYJRXNJJB-UHFFFAOYSA-N 366.493 3.101 0 1 FGAF CN[C@@H](c1cccnc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587225489 XAAAOOGONHGORV-LBPRGKRZSA-N 353.170 3.307 0 1 FGAF CCCc1noc(-c2cccnc2-n2ncc3ccc(Cl)cc3c2=O)n1 587652336 CFPLSQZJDVDKGN-UHFFFAOYSA-N 367.796 3.437 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)OCC(=O)N3)CC2=O 587487380 VLZJJBUPVKARIQ-QGZVFWFLSA-N 353.374 3.382 0 1 FGAF COC(=O)c1ccnc2[nH]c(C/C=C\c3ccc(OC)cc3OC)nc12 587929731 PEQOLZMNMHPOIE-PLNGDYQASA-N 353.378 3.018 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cncc(C)c2[nH]1)C(F)(F)F 587091543 FQKKTLOCIOOOIE-MRXNPFEDSA-N 350.344 3.430 0 1 FGAF NC(=O)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507094 AFDBEVXGXHSFOY-LJQANCHMSA-N 351.402 3.136 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc2c(c1)NC(=O)[C@@H](C)O2 963258571 OPFQWIJLMLJUNZ-GIPWTMENSA-N 372.852 3.477 0 1 FGAF Cc1cc2c(cc1F)[C@](C[C@H](C)C(=O)O)(c1cccc(CO)c1)NCC2 962294327 BXQLHVRPTWSTAL-QKKBWIMNSA-N 357.425 3.127 0 1 FGAF Cc1cc2c(cc1O)[C@](CCOc1ccccc1)(C1CC1)N[C@H](C(=O)O)C2 963550051 JUMXGRFVYUFUAD-UGKGYDQZSA-N 367.445 3.374 0 1 FGAF CN(c1ccc(-c2ccc(C#N)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 146621241 QTUJFHJUHDTZFB-UHFFFAOYSA-N 365.481 3.466 0 1 FGAF CC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccn1 1772633647 KAWFWIHPXVOMDC-AWEZNQCLSA-N 365.441 3.226 0 1 FGAF COC(=O)C[C@@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccc(Cl)cc1 169335472 XBFZWNFMXAFJBS-YJBOKZPZSA-N 374.849 3.421 0 1 FGAF CCO[C@@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165928542 GESIBHORGNKVPG-HNNXBMFYSA-N 367.449 3.389 0 1 FGAF CS(=O)(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709681 OGZWZWDVHZEFCZ-OAHLLOKOSA-N 356.369 3.304 0 1 FGAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccsc2)cc1 205374005 MMYQYTWMWPZWLN-INIZCTEOSA-N 358.419 3.128 0 1 FGAF CC(C)(C)NC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 978162 GAPXXIHQOMSIJO-UHFFFAOYSA-N 363.343 3.338 0 3 FGAF COc1cc(C=C2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 2356437247 MHLQLQUSZZCRFB-OAHLLOKOSA-N 370.401 3.217 0 1 FGAF Cc1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1F 6770918 XVHDPWUVXVXZMJ-UHFFFAOYSA-N 351.337 3.229 0 1 FGAF Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5ccccc5)(C4)C2)C3)n1 102204016 NVINKRVQCDVNJV-ZZMFMQDLSA-N 365.481 3.154 0 1 FGAF CCOc1nc2ccccc2nc1C(=O)NCCc1c[nH]c2ccccc12 66098991 LPPPTZUVTMSCND-UHFFFAOYSA-N 360.417 3.482 0 1 FGAF O[C@@]1(c2ccc(CN3CCCCC3)cc2)c2ccccc2C2=NCCCN21 27331331 BFZRCVYZMCLKLC-QHCPKHFHSA-N 361.489 3.332 0 1 FGAF CS[C@@H]1NC(=O)n2cnc(CCCCCOCc3ccccc3)c2N1 27108095 MPWBAWOTSFJNPY-KRWDZBQOSA-N 360.483 3.443 0 1 FGAF Cc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c12 73141521 HMRRGETUOICMAG-UHFFFAOYSA-N 363.417 3.134 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccno4)ncc23)ccn1 219768770 YKXPZMFBQATMHR-NSHDSACASA-N 363.381 3.199 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccsc4)ccc31)[C@@H]1CC[C@H](C2)N1 82154304 IAZXBSIMCBQTFJ-ABAIWWIYSA-N 358.488 3.422 0 1 FGAF C=C(c1cc(Cl)c(Cl)cc1OC[C@@H](O)CNC(C)C)n1ccnc1 40503657 VKKKAZNAQXHEOG-ZDUSSCGKSA-N 370.280 3.447 0 1 FGAF CC[C@@]12CCCN3CC[C@@]4(c5ccc(O)c(OC)c5N(C(C)=O)[C@H]4CC1)[C@H]32 238763198 WSZCASZURIXQMW-UPZYVNNASA-N 370.493 3.432 0 1 FGAF COc1ccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 299857995 PJUHRHBOIUIZGY-NSHDSACASA-N 363.797 3.161 0 1 FGAF O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccnc1 473172436 WQJGNAZZWVRHPM-UHFFFAOYSA-N 362.414 3.493 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3CCN(CC3)C2)N1 587790820 JAMDLPHSTUCBIE-GTNSWQLSSA-N 353.279 3.433 0 1 FGAF O=C(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cc2c(s1)CCC2 587035221 QGSBRDFPMFSMGW-UHFFFAOYSA-N 366.368 3.457 0 1 FGAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1S(C)(=O)=O 587531571 KETPMWAROIAKJQ-GOSISDBHSA-N 371.458 3.379 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)nc2[nH]1 586922564 PSHBLPLBDMSMTB-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccnn2c1 587590398 ZVTXDSOTOAKINQ-YLJYHZDGSA-N 359.341 3.138 0 1 FGAF CCOC(=O)[C@H](C)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430647 KKYAHNMTVXAXBJ-SZEPBZDZSA-N 355.390 3.110 0 1 FGAF COC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984204 OHMQQBHXDFCAHF-CYBMUJFWSA-N 374.238 3.355 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc(Cl)s2)N1 963001596 ZKLYKOHKYZDXOU-RDDDGLTNSA-N 365.188 3.416 0 1 FGAF Fc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 1772649151 VWDJISBNSAISPO-UHFFFAOYSA-N 374.423 3.281 0 1 FGAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1c(C)noc1CC 169712567 NAVYPUKXFWOZSU-NVXWUHKLSA-N 362.426 3.120 0 1 FGAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C1CC1 167425924 XYLAGOOEOVDRNG-CYBMUJFWSA-N 350.422 3.158 0 1 FGAF CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1857547296 RYKSTJSWYMCHIX-UHFFFAOYSA-N 361.829 3.193 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)nc2ccc(C)cn12 1857587334 VLFREMBWPAUZHP-UHFFFAOYSA-N 350.422 3.343 0 1 FGAF O=C(O)c1ccc(-c2cnc3[nH][nH]c(=NC(=O)C4CCCCC4)c3c2)cc1 1857763448 JEQYPXXUIPAGMI-UHFFFAOYSA-N 364.405 3.264 0 1 FGAF Brc1cccc(N(CC2CC2)C2=NCCN2)c1Br 28228741 BDFIXMOJTWUVBY-UHFFFAOYSA-N 373.092 3.387 0 1 FGAF Cc1ccccc1-n1c(CSC2=NCCCN2)nc2ccccc2c1=O 1849315 RSPPDLBIRJVOKT-UHFFFAOYSA-N 364.474 3.277 0 1 FGAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2cccnc2)C[C@@H]1C(C)C 2356309114 BMHURJIIXCZWID-SLFFLAALSA-N 357.498 3.079 0 1 FGAF COc1ccc([C@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3nnnc3N2)cc1 2918170 QUJIBASAZIUATP-CVEARBPZSA-N 373.363 3.429 0 1 FGAF CC[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc21 58583443 VNUVPFZMZYGABL-AWEZNQCLSA-N 357.845 3.325 0 1 FGAF CCOC(=O)/C=C/c1ccc2c(-c3ccc(OCC(=O)O)cc3)nocc1-2 28568963 NHQCXZUUPKQXJI-UXBLZVDNSA-N 367.357 3.486 0 1 FGAF O=C(Nc1ccncc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097134 PMJBOWRTSRFLQU-VQFNDLOPSA-N 371.462 3.083 0 1 FGAF Cn1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 212121358 GBFMRCRXRKMKPB-UHFFFAOYSA-N 353.401 3.445 0 1 FGAF CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP(=O)(O)O 40974126 RAXGDSLHXGYQSV-UHFFFAOYSA-N 363.350 3.048 0 1 FGAF CCOC(=O)C(=O)Nc1nc(-c2ccc(N3CCCCC3)cc2)cs1 40504607 BQUZCMAMEYBZJS-UHFFFAOYSA-N 359.451 3.302 0 1 FGAF c1cc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)ccc1C1=NCCCN1 49802642 GANQCOXPWPCBFN-UHFFFAOYSA-N 357.461 3.315 0 1 FGAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085413 GTLDTJGRSPNARD-MRXNPFEDSA-N 372.494 3.408 0 1 FGAF COC(C)(C)[C@H]1CCCCN1C(=O)[C@@H]1CNC[C@@]12CCCc1ccccc12 146558419 VZSJSTNSKJKXPA-MIZPHKNDSA-N 370.537 3.286 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](O)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 238776566 JVMIMRFLGUGLOG-OXKCFXLVSA-N 362.466 3.184 0 1 FGAF Cn1cc(-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2)c2ccncc21 299865848 UTJIEBWCJRJUNS-UHFFFAOYSA-N 364.430 3.101 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 299809137 HZCJHCKFTKJLFP-KFVVBQDRSA-N 353.462 3.104 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1sc(N(C)C)nc1Cl)[C@@H](C2)C3=O 587452010 PWLSFUMMNVWABX-ZANVPECISA-N 350.827 3.360 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(OC)cc1)CC2=O 587484102 WFBZQLLCZAXMJF-HXUWFJFHSA-N 356.374 3.299 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cnn(C)c1C)CC2=O 587476176 QDFPRKCCXZHVHW-KUFMOJEASA-N 369.465 3.323 0 1 FGAF CC(=O)N[C@H](Cc1nc2c(C)nccc2[nH]1)c1ccc(Br)cc1 586984253 DFAPWHWPTXCELM-OAHLLOKOSA-N 373.254 3.449 0 1 FGAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587163600 MYPDWOUVRHMSTO-HXUWFJFHSA-N 368.456 3.185 0 1 FGAF O=C1C[C@](c2ccc(F)c(F)c2)(C(O)O)Oc2c1ccc1c2CCCC1 587507688 SAESEXPMDWJJIH-FQEVSTJZSA-N 360.356 3.015 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587422563 QQKDDLRYTXITLR-DJJJIMSYSA-N 355.777 3.252 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CO)ccn2)N1 587774242 USDSSTSKDUEISN-JDNHERCYSA-N 351.219 3.099 0 1 FGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C 587579669 FLEAUBHNWBIKFU-FXAWDEMLSA-N 350.374 3.311 0 1 FGAF COC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774548 WHWWECLETSTNCV-GTNSWQLSSA-N 365.246 3.407 0 1 FGAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(N)cc1F 587135832 FVDIRZXPYDXJBH-UHFFFAOYSA-N 370.384 3.459 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(C(C)(C)C)CC2=O 587485882 JUJNQNHSFIDXOZ-GOSISDBHSA-N 354.468 3.139 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C[C@H]3CCC(=O)[C@H]3C)nc2c1 587963362 NFPZOOXEPOTCTN-DTWKUNHWSA-N 365.227 3.270 0 1 FGAF Cc1c(F)ccc2c1[C@@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)NCC2 962295556 DYTDLBDFRVKRHV-UWJYYQICSA-N 360.473 3.057 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3c(Cl)[nH]c(C=O)c3Cl)c3cccc1c32 963036727 VBMQEZILTNGKDC-BCTVWOGZSA-N 364.232 3.277 0 1 FGAF COc1c(OC/C=C(\C)CC[C@@H](O)C(C)(C)O)ccc2ccc(=O)oc12 13481651 AGIAPQOXXWKVOJ-SICOMBFOSA-N 362.422 3.039 0 1 FGAF biogenic,in-vitro CN1C(=O)[C@@H](NC(=O)c2cc3c(Cl)cccc3[nH]2)Cc2ccccc21 13587891 HSLSUYMECGEGSU-INIZCTEOSA-N 353.809 3.139 0 1 FGAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccccc3F)c3ccc(C)cc23)N1 1857567052 HYXKGYXYUFTOKO-QGZVFWFLSA-N 371.437 3.389 0 1 FGAF CCc1cc(O)c(F)cc1-c1cc(N(C)S(C)(=O)=O)c2c[nH]nc2c1 1857595880 KAOAFTNEHBACSA-UHFFFAOYSA-N 363.414 3.033 0 1 FGAF CCc1cccc(-c2cn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)c1 1857607048 CECBCDWYPSYRMO-UHFFFAOYSA-N 356.447 3.097 0 1 FGAF COc1ccc2c(c1O)CCCC[C@@]2(O)c1cc(OC)c(OC)c(OC)c1 1857614804 BLFHAUCBMSANBN-OAQYLSRUSA-N 374.433 3.389 0 1 FGAF CCCCN=c1[nH]c(=N)[nH]c2cccc(OCc3ccccc3OC)c12 1857645719 XSQJOMQUAYIBSO-UHFFFAOYSA-N 352.438 3.264 0 1 FGAF CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccc(F)cc1 1857749424 XNWLIMBPILQHQV-UHFFFAOYSA-N 353.445 3.152 0 1 FGAF Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)[C@H]2CC[C@@H]4C2)no1 579873 LKBAKHFUNDDERC-OLZOCXBDSA-N 374.404 3.426 0 1 FGAF CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760321 SZZBUHPYJPMOLX-SJLPKXTDSA-N 374.481 3.018 0 1 FGAF COc1cc(OC)cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1 1369384 AZXKWXPHQAJYEW-ALOPSCKCSA-N 370.449 3.222 0 3 FGAF CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CC[C@@H](CO)C1 29394159 ZDPVLYPFUJZEOD-NSISKUIASA-N 370.493 3.059 0 1 FGAF CN(C(=O)Cn1c(=O)oc2ccc(Br)cc21)c1ccccc1 59824153 MFGRJRNLZPYFGT-UHFFFAOYSA-N 361.195 3.020 0 1 FGAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c(C)cc14)[C@@H]32 2356571737 ADSPPDVBJPIBSG-FDFHNCONSA-N 366.461 3.235 0 1 FGAF O=C(O)CCC[C@@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C/CCCCCO 33838781 PTJFJXLGRSTECQ-OUFDSPCWSA-N 352.471 3.131 0 1 FGAF CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1911570783 VPSBWQURVCHONJ-UHFFFAOYSA-N 369.402 3.050 0 1 FGAF CN[C@](C)(c1nc2ncc(C#N)cc2[nH]1)c1c(OC)cc(C)c2[nH]ccc12 219478980 GVNPLJMRXUVHKE-FQEVSTJZSA-N 360.421 3.111 0 1 FGAF Nc1ncnc2c1c(Cc1cccc3ccccc13)nn2C1CCNCC1 71294260 OTWGEGUQDHMDBA-UHFFFAOYSA-N 358.449 3.077 0 1 FGAF C=C(c1c(Cl)cc(Cl)cc1OC[C@@H](O)CNC(C)C)n1ccnc1 40466253 GPFBLKJURPGHRB-AWEZNQCLSA-N 370.280 3.447 0 1 FGAF O=S(=O)(c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1 40897133 NMNYUPMDVNBVPY-UHFFFAOYSA-N 365.252 3.248 0 1 FGAF Cc1ccc(-n2cnc3c(sc4nc(-n5cccc5)nc(N)c43)c2=O)cc1 49050108 MTDRATDYQYLXOK-UHFFFAOYSA-N 374.429 3.072 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)c(Cl)c1 40380194 TUTXPFRCFLJDJM-OAHLLOKOSA-N 360.834 3.436 0 1 FGAF O=C(N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1cccc(F)c1 199410817 SPOXUMHDCLAIGJ-GOSISDBHSA-N 358.388 3.276 0 3 FGAF COCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82159670 KJRLETSMBZFRMY-UHFFFAOYSA-N 372.444 3.404 0 1 FGAF Fc1ccc(-n2cc(-c3cnn4ccc([C@H]5CCCNC5)nc34)cn2)cc1 96937447 FQRJKOPMEKMPIB-AWEZNQCLSA-N 362.412 3.188 0 1 FGAF COc1cc2c3c(c1)O[C@@](CNC(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587430122 RIDNMXUTFMDHIC-XOBRGWDASA-N 359.422 3.116 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(/C=C\C(=O)O)=COc2ccccc21 587406576 CQLDJGCAUWCJEW-NGXITPROSA-N 363.369 3.355 0 1 FGAF C[C@H]1CN(C[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C[C@@H](C)O1 587876198 PLYXUUGTPKZQPE-UPJWGTAASA-N 359.401 3.180 0 1 FGAF COc1cc(OC)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 587131533 MKZMDSZEKYTTME-UHFFFAOYSA-N 354.353 3.199 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769184 NDKWWEQHXBBVRX-QAGHZCBJSA-N 367.262 3.330 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)OCCCO4)[C@@H](C2)C3=O 587454023 RABINXXSIMYSNJ-QKKBWIMNSA-N 368.385 3.354 0 1 FGAF COC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587809653 SKHAHOUVVKWESC-RFAUZJTJSA-N 356.235 3.291 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c3oc(=N)[nH]c3c1)CC2=O 587468818 DSEAPUDULTVRFW-MRXNPFEDSA-N 354.362 3.311 0 1 FGAF CN1CCN(c2ccc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3c2)CC1 587085180 ZPWJVKZIGZWTEX-UHFFFAOYSA-N 367.884 3.443 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4)nc1F)[C@@H](C2)C3=O 587427554 JLJOSYPKUJKPTL-YCRPNKLZSA-N 368.408 3.492 0 1 FGAF COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587114862 XXMJBHZJRXQGKW-NSHDSACASA-N 364.327 3.006 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(-n2cncn2)c(F)c1 963271926 XOBCQXSJNUNHDH-SFHVURJKSA-N 358.804 3.304 0 1 FGAF Cc1cc([C@H]2c3cccc(Br)c3CCN2C)nc(N(C)C)n1 963280096 METNCOGMNKDHQI-MRXNPFEDSA-N 361.287 3.191 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc2c(c1)NC(=O)[C@H](C)O2 963258572 OPFQWIJLMLJUNZ-PRWKNARSSA-N 372.852 3.477 0 1 FGAF Cc1ccc(CCCCCCSC[C@](O)(CC(=O)O)C(=O)O)c(C)c1 13758318 VMBSPNUADFUOJZ-LJQANCHMSA-N 368.495 3.430 0 1 FGAF CO[C@@H](c1ccccc1)[C@H](O)[C@@](O)(c1ccccc1)P(=O)(OC)OC 1656856 UDUCETYLSJAFTA-OKZBNKHCSA-N 366.350 3.066 0 1 FGAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCCN1CCCC1=O 2483420 SVJMTCRAXKEJLO-UHFFFAOYSA-N 369.465 3.381 0 1 FGAF C[C@@H]1CN2C(=O)CC[C@@]34C5=CCC[C@@H]5CC[C@@H]5[C@H](O)OC[C@]53CC[C@H]1[C@H]24 28969645 GNMRIAQESVHTAO-KIGIOHMISA-N 357.494 3.105 0 1 FGAF O=Cc1cccc(-c2cc(-c3cccc(C=O)c3)c(O)c(=O)c(O)c2O)c1 27418364 JBXVMFAWZHGYMI-UHFFFAOYSA-N 362.337 3.123 0 1 FGAF CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CC[C@H](CO)C1 29394162 ZDPVLYPFUJZEOD-PWIZWCRZSA-N 370.493 3.059 0 1 FGAF O=C(O)CCCCC=CC[C@H](O)CCC=CC=C[C@@H](O)CCCC(=O)O 2356733846 BCZGHMCTSJAJRR-ZWKOTPCHSA-N 368.470 3.447 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1CCC[C@](C)(O)[C@H]1O3 2356777652 AYNGSAXKNKEGEG-DRAMBROLSA-N 372.417 3.327 0 1 FGAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2cn[nH]c2)C1 219383245 DFQAPFAWLCCLSM-UHFFFAOYSA-N 374.231 3.372 0 1 FGAF COc1[nH]c(O)c(C(=O)c2cccc(Oc3ccccc3)c2)c(=O)c1OC 49033440 YEFGYZFXSUECHF-UHFFFAOYSA-N 367.357 3.121 0 1 FGAF COC[C@H](Cc1ccccc1)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82204253 IDMVPNDTZQNEQJ-LMMKCTJWSA-N 370.497 3.068 0 1 FGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)nnc2c1 40974802 GURGQFBRXVKIQG-UHFFFAOYSA-N 374.444 3.069 0 1 FGAF Cc1n[nH]c(C(=O)O)c1Cc1cccc(-c2ccc(CC(=O)O)cc2)c1 95555636 WERFAFVTBBGPRF-UHFFFAOYSA-N 350.374 3.301 0 1 FGAF CCC(CC)c1nn(CC)c2c1N=C(c1ccc(C(=O)O)cc1)CNC2=O 96928080 NMWZIECWRMDJED-UHFFFAOYSA-N 368.437 3.369 0 1 FGAF O=C1N(Cc2ccccc2)c2cccn2S(=O)(=O)N1Cc1ccccc1 96938781 JEJHUCFGAMLVOV-UHFFFAOYSA-N 367.430 3.223 0 1 FGAF COc1cc2c3c(c1)O[C@](Cn1ccnc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426197 AGIRQRWLQRSFJJ-LAUBAEHRSA-N 364.376 3.374 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCC(O)CC3)s1)O2 587412568 ZZBPVLOHDNKSDR-MRXNPFEDSA-N 358.463 3.306 0 1 FGAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587636818 JYOCUPFKALMZDO-UHFFFAOYSA-N 372.352 3.056 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1S(C)(=O)=O)O2 587411275 YWLYCVVMUGIIAZ-OAHLLOKOSA-N 365.838 3.341 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(N3CCOCC3)c1)CC2=O 587473864 CIYPQOPTMZWMLS-IBGZPJMESA-N 368.433 3.283 0 1 FGAF COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1OC 587035626 WTBQIHLFBILRFW-UHFFFAOYSA-N 357.435 3.060 0 1 FGAF COc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196753 BJSXPMXOPBNBPV-AWEZNQCLSA-N 361.442 3.488 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)n2cncn2)N1 587756880 FYIDJYAAIIBXAR-IQMDTDKHSA-N 353.239 3.190 0 1 FGAF COC(=O)c1cc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2cc1OC 586918162 LHLUHSZDMVUULV-UHFFFAOYSA-N 350.330 3.132 0 1 FGAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 587196150 QSSJAYWULAMHMD-UHFFFAOYSA-N 371.397 3.111 0 1 FGAF Nc1ncnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587166665 ZOGVUSSWHXWXBM-UHFFFAOYSA-N 365.397 3.041 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](C2(c3ccccc3)CCOCC2)N1 962897708 NFBCFTOKKHXJQA-PKOBYXMFSA-N 355.409 3.214 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2cccc(C(=O)O)c2)COC1(C)C 219723736 HKSIJEOTZYWKBP-CYBMUJFWSA-N 351.399 3.136 0 1 FGAF biogenic CCCCc1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1 13122692 GPYOONGJWFIWPN-PKNBQFBNSA-N 351.435 3.332 0 3 FGAF CCC[C@@H](Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759704 AWVAXCYPDMVCFO-CYBMUJFWSA-N 373.507 3.284 0 1 FGAF Cc1ccccc1C1=NN(C(=O)Cc2ccccc2)[C@@](O)(C(F)(F)F)C1 1857751966 CBOWNWJZJOCUSQ-SFHVURJKSA-N 362.351 3.425 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@H](O)OC3=O 2356388606 LATVQMDENFSLIO-PXSGQKKRSA-N 362.466 3.354 0 1 FGAF CC(C)NC(=O)c1onc(CSc2cccc(Cl)c2)c1C(=O)O 8672392 HROWBFHZWORDOJ-UHFFFAOYSA-N 354.815 3.457 0 3 FGAF COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1OC 103236628 HKJYGPPOMQQLIZ-MUJYYYPQSA-N 370.449 3.222 0 1 FGAF CC[C@@H](C)OC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O 29564031 BKMGVVRGOLWLQF-LLVKDONJSA-N 374.389 3.307 0 1 FGAF CC(C)Cc1ccc([C@H](C)c2nn(CN3CCNCC3)c(=S)o2)cc1 64448671 CMKOHGLDOQPEFV-HNNXBMFYSA-N 360.527 3.419 0 1 FGAF CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20213821 FEBNOEAQMZCORM-LJQANCHMSA-N 371.481 3.088 0 1 FGAF COC(=O)[C@@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@H]1C 66167243 XUMFBWVLWILAGJ-VDGAXYAQSA-N 366.461 3.391 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN[C@H]2[C@@H](C(C)C)[C@@H](O)C[C@@]13C 2356558413 YULGNBRYMYBJBM-FGNXGXSNSA-N 373.537 3.297 0 1 FGAF CC(C)(C)OC(=O)N1CCC(c2[nH]c(-c3ccncc3)cc2C(N)=O)CC1 64526821 WTPBBJLDOYGRJN-UHFFFAOYSA-N 370.453 3.290 0 1 FGAF CCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ncccc2C)CC1 61897327 ACZOYSTVUOJKPY-FQEVSTJZSA-N 355.457 3.467 0 3 FGAF Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc(C2CCNCC2)n1 39442940 JVEZYLVDWNHMGZ-UHFFFAOYSA-N 362.481 3.109 0 1 FGAF COc1ncccc1-c1cc2c(cn1)[nH]/c(=N\Cc1cccc(C)c1)n2C 82078174 UOUYEKQTWPEREX-UHFFFAOYSA-N 359.433 3.381 0 1 FGAF CCO[C@H](Cc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1)C(=O)O 40412822 RMJMVMTVRSFGAV-AZUAARDMSA-N 353.418 3.455 0 1 FGAF CCOC(=O)CSc1nc2ccc(C)cc2c(=O)n1Cc1ccccc1 98082600 YTPOLUYVKTWTAB-UHFFFAOYSA-N 368.458 3.408 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 253638176 HFDAIKHXHSHODJ-IJXRJRJASA-N 352.434 3.154 0 1 FGAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3O)c[nH]c2c1 474608474 MGNUPKWPPHHAMF-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF COCCOc1cc2ncnc(Nc3ccc(F)cc3)c2c2c1OCCO2 653886902 GHDLYUNTQJYIGQ-UHFFFAOYSA-N 371.368 3.309 0 1 FGAF COCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587584934 CBRUAPBYSGUAIQ-LPHOPBHVSA-N 353.330 3.230 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)C(=O)O)cc1)O2 587381972 JMUUYPRVOYQSAW-OAHLLOKOSA-N 363.316 3.340 0 1 FGAF COC1CCC(C(=O)c2c(CO)oc3cc(Br)cnc23)CC1 587275812 GFORZVIZICOBNM-UHFFFAOYSA-N 368.227 3.471 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587202216 GPYNAMFGGJZFRP-GFCCVEGCSA-N 374.784 3.054 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)c(F)c2[nH]1 587248734 VFSNRYLXLZCNEZ-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CC(=O)N[C@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccc(C)cc1 587216533 DTVKCMOFVLHDHA-APWZRJJASA-N 351.410 3.015 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn(C)c1 587866893 RVAOOFXLXSDTJY-UHFFFAOYSA-N 364.327 3.390 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cnc2[nH]1 587226521 ZPPJNOMIKGDUST-JTQLQIEISA-N 364.327 3.060 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccc(F)cc2)N1 587737447 XNTUIKWRFUBUMV-DYZYQPBXSA-N 367.237 3.464 0 1 FGAF COc1cc2c3c(c1)O[C@](C)([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434574 AUSBHEKEDPMXFG-XLDJFRKUSA-N 373.449 3.458 0 1 FGAF N=c1nc(O)c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2[nH]1 587785032 XQAHNZNGUYZGJM-DHZHZOJOSA-N 359.389 3.220 0 1 FGAF C[C@]1(c2ncc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567803 FIRXLVHTCRIODB-BEFAXECRSA-N 352.321 3.198 0 1 FGAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587400959 SQQKCAIWFLFPBY-HRAATJIYSA-N 351.402 3.173 0 1 FGAF O=C(c1cc(Br)co1)n1ncc2ccc(Cl)cc2c1=O 587650610 AABDLTWZAAGFQF-UHFFFAOYSA-N 353.559 3.094 0 1 FGAF Cc1ccc(-c2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)o1 586904872 CJGDERQHCMNURR-UHFFFAOYSA-N 353.403 3.446 0 1 FGAF Nc1cnc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)nc1 587252811 NRNYPUGYGDETLQ-UHFFFAOYSA-N 374.120 3.263 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)C1C(=O)CC(C)(C)CC1=O 963607378 JSNURBDJUPKZRH-XUSGNXJCSA-N 359.466 3.028 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(Cl)c3ccccc3oc2=O)N1 962927107 ZPPPMLZZEZCGJV-SUMWQHHRSA-N 373.767 3.274 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963603220 BOTSZXKCGYOAGA-YUNKPMOVSA-N 371.433 3.123 0 1 FGAF Cc1ccoc1C(=O)N1CCCn2nc(NC(=O)c3ccccc3)cc2C1 1772648324 HMMYXWXLHAEPEQ-UHFFFAOYSA-N 364.405 3.083 0 1 FGAF CSc1ccccc1OCc1cc(C(=O)N(C)Cc2ccncn2)no1 12303209 GCEXRRABEGECQI-UHFFFAOYSA-N 370.434 3.038 0 3 FGAF O=C(O)C[C@H](Sc1ccccc1NC(=O)[C@H]1CCCN1)c1cccnc1 13589263 ZDBCMCZLDVNRQF-WBVHZDCISA-N 371.462 3.080 0 1 FGAF COc1cc(CCCN2C(N)=NC[C@@H]2c2ccccc2)cc(OC)c1OC 13662138 SHPAPEGQJWSKHS-QGZVFWFLSA-N 369.465 3.017 0 3 FGAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)C1(Nc2cccc(O)c2)CC1 202050089 PGETVCQNSNDKAY-UHFFFAOYSA-N 365.418 3.461 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356344535 BMAOWSPJJLOKGM-DWRORGKVSA-N 360.491 3.235 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1C(F)(F)c1[nH]ncc12 102006911 KSVGWDBXEILHPJ-CHWSQXEVSA-N 373.812 3.453 0 1 FGAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NC1CCCCCC1 104996285 VUVXCJSFVHJFHW-UHFFFAOYSA-N 355.467 3.389 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccnc2ccccc12 103252981 CRLXOVQRLXLTFR-SFHVURJKSA-N 362.385 3.198 0 1 FGAF COc1ccc2c3c(c(=O)oc2c1)CN(CCN1CC2CCC1CC2)CC3 27733129 MLYMQIFEMNZUIQ-UHFFFAOYSA-N 368.477 3.034 0 1 FGAF Cc1nnc(NCc2cccs2)c2c1nnn2Cc1ccc(F)cc1 20447483 OJOAAOYWDHZGBO-UHFFFAOYSA-N 354.414 3.391 0 1 FGAF Cc1oc(=O)c2c(c1C)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 2356600848 BWYKQVIOFJIPNL-RWXMBLCBSA-N 374.477 3.487 0 1 FGAF CCOC(=O)[C@@H]1CCCN(c2nc(C)c3nc(-c4ccccc4)oc3n2)C1 21023904 GTRIYMFZGVARKQ-OAHLLOKOSA-N 366.421 3.373 0 1 FGAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCO)c1ccccc1 36184681 SGPBCFRSJZPAQO-FQEVSTJZSA-N 373.403 3.382 0 1 FGAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 45299559 VIZPWAKCVQHRAX-OAQYLSRUSA-N 359.558 3.111 0 1 FGAF C[C@H]1C[C@H](C)[C@H](O)[C@@H]([C@H]2C[C@H](CC(=O)NCc3ccccc3)CC(=O)O2)C1 40499299 IVTAHNQJAAUGMY-BWGSOXPZSA-N 373.493 3.058 0 1 FGAF CC1(C)C=Cc2c(O)c(C=O)c3c(c2O1)C(=O)[C@H](O)[C@@H](c1ccccc1)O3 199044719 UGWRCDURVAJLKZ-ZWKOTPCHSA-N 366.369 3.066 0 1 FGAF O=C(O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081304 ACLXSELUBDHELC-INIZCTEOSA-N 350.374 3.432 0 1 FGAF CC[C@@]12C[C@@](C)(O)[C@](O)(c3cccnc3)C[C@H]1CCc1cc(O)ccc12 141813359 KDUBEHWLJHNXHQ-XUFNMVPLSA-N 353.462 3.430 0 1 FGAF CCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4)cc3[C@@H]21 95877994 CCINGVMSXCWVJW-NQSCKRDGSA-N 350.462 3.464 0 1 FGAF CN(C)c1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1 140116508 SMOQZLWEBBEMFR-UHFFFAOYSA-N 358.873 3.170 0 1 FGAF CNC(=O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 95784134 AYNDOEIMVXOEFM-SCLBCKFNSA-N 361.463 3.150 0 1 FGAF Nc1nc(O)c2[nH]cc(C(=O)c3c(Cl)cc(Cl)cc3Cl)c2n1 653801612 MRFRPLADLVTBQC-UHFFFAOYSA-N 357.584 3.437 0 1 FGAF CC(C)Oc1cc2nc(-c3nn(C)c(O)c3F)[nH]c2cc1Br 587155906 OFUFCMSIFLPOAW-UHFFFAOYSA-N 369.194 3.358 0 1 FGAF O=C(NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)c1cccc(F)c1 587873722 LANRALPJZMYRJI-UHFFFAOYSA-N 355.300 3.004 0 1 FGAF C[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1cc(Cl)cn1 587079099 HFXQCLFOALRCNV-LURJTMIESA-N 369.606 3.483 0 1 FGAF CN1CCC(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580855 FEJGQGALIBPODP-RBUKOAKNSA-N 353.418 3.454 0 1 FGAF CNC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511204 JHLFGDRVHOOKQK-HXUWFJFHSA-N 365.429 3.397 0 1 FGAF COC[C@H](C)NC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863373 HWYPYRWRCMESEG-JTQLQIEISA-N 373.400 3.335 0 1 FGAF NC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587219116 LZLMOAZGPJNGIB-LJQANCHMSA-N 370.412 3.181 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cccnc3n2)N1 587774704 OBGIJNPAPMQBLC-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF O=C(c1cncs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662194 WWBOQOCBFPFDFE-UHFFFAOYSA-N 351.362 3.348 0 1 FGAF COc1cc2c3c(c1)O[C@]1(c4cc(C(=O)O)ccc4OC1(C)C)[C@@H](C2)C3=O 587447966 AMWZZOPVJPCAEP-LHSJRXKWSA-N 366.369 3.207 0 1 FGAF CC[C@]1(COC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184141 QOUSFVKWQGBYJN-GXTWGEPZSA-N 351.752 3.209 0 1 FGAF Cc1cccnc1-n1cccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963019088 DPNQSQDCQGGVSA-VFNWGFHPSA-N 358.445 3.323 0 1 FGAF COc1ccc2c(c1)[C@]1(CC3(CCN(C)CC3)O[C@H]1C)N(C(C)C)CC2 962088415 HLEHJMUFBWJTLS-HTAPYJJXSA-N 358.526 3.430 0 1 FGAF O=C(/C=C/c1cccn(C/C=C/c2cccc(C(F)(F)F)c2)c1=O)NO 144003909 ZJXRYCTUSBHHHW-LDTZJAMMSA-N 364.323 3.099 0 1 FGAF Cn1ncc2c(N[C@H]3CCC[C@@H](O)C3)nc(Nc3ccc(F)c(F)c3)nc21 1772582460 NNODMMRQXOTFOA-CMPLNLGQSA-N 374.395 3.101 0 1 FGAF N[C@@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 13522015 QELOIXSGJMIHBZ-QZTJIDSGSA-N 361.378 3.118 0 1 FGAF in-vitro O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 13829232 LSIHNRUACNKZKD-XMCSSRMMSA-N 357.372 3.113 0 3 FGAF Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CNC1 203007116 MFWGMUZSCKAPLQ-UHFFFAOYSA-N 371.444 3.404 0 1 FGAF COc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 205217160 PVQZAJSFNVZNLO-XJKSGUPXSA-N 374.799 3.363 0 3 FGAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2cccnc2)C(C)C)cc1 1857581734 VUDDJZWHHMZPNI-UHFFFAOYSA-N 369.465 3.289 0 1 FGAF CCc1c(-c2ccc(N3CC[C@@H](NC)C3)cc2)nc(O)c2c(O)nsc12 1857592566 FIGVLUNPJRWQAN-GFCCVEGCSA-N 370.478 3.130 0 1 FGAF CC1CCN(C2CCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 1857606619 ADRNRTVWTUVDSD-UHFFFAOYSA-N 373.522 3.120 0 1 FGAF O=C(c1cccnc1)c1conc1C(=O)c1ccc(Br)cc1 987964 QBOPTZSDHHQWHS-UHFFFAOYSA-N 357.163 3.294 0 1 FGAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 103225237 CTWBAHNLIQXLPU-QFIPXVFZSA-N 366.505 3.360 0 1 FGAF CC(=O)Oc1ccc(CCc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1 103262865 QRJHAIBGAUNYFP-UHFFFAOYSA-N 356.374 3.248 0 1 FGAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(N(CC)CC)c1 28342803 DNINLTILURXSPD-UHFFFAOYSA-N 355.482 3.389 0 1 FGAF CCCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 20413447 LDWFVSCWHFKKCP-UHFFFAOYSA-N 353.422 3.417 0 1 FGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCC2CCC2)cc1 28883868 XVVJSLJPIYISAP-UHFFFAOYSA-N 374.384 3.474 0 1 FGAF COC(OC)C1=CN([C@H](Cc2ccccc2)C(=O)O)C=C2[C]1CC[C@@H]2C 2356829806 OXANEYNHWRLBBF-IFXJQAMLSA-N 356.442 3.389 0 1 FGAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)c1cccc(F)c1 61907391 FXQKHCMKMMCLOU-IBGZPJMESA-N 360.816 3.400 0 3 FGAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 36177602 BNTIEMZWVNNNAF-INDMIFKZSA-N 356.466 3.309 0 1 FGAF COc1cc(CCN(C)C)c2c(c1OC)-c1cc3c(cc1CC2)OCO3 33833999 APPBPYQMDXDRJX-UHFFFAOYSA-N 355.434 3.302 0 1 FGAF biogenic,in-vitro COc1cc2c(c(O)c1OC)-c1c(OC)c(O)cc3c1[C@@H](CC2)N(C)CC3 14645625 AFAPEWKCXSTVJQ-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic Cc1c(N2C[C@H](C)C[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 49756166 SUNOXJGFRNXDSU-VXGBXAGGSA-N 369.465 3.408 0 1 FGAF Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1 142920817 JJRXBWSNWRJYKQ-PGRDOPGGSA-N 374.444 3.464 0 1 FGAF O=C(NC(=O)c1ccc(O)cc1O)NC1c2ccccc2-c2ccccc21 653782625 YHFWUYJGUUBLKK-UHFFFAOYSA-N 360.369 3.307 0 1 FGAF COc1cc(OC)c2c(=O)n(Cc3ccc(OC)c(OC)c3)ccc2c1 653748820 NHNWMXTWIYLNFM-UHFFFAOYSA-N 355.390 3.084 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cccc(Br)c21 587372324 PGEQJKIXFQRBCU-KRWDZBQOSA-N 373.206 3.153 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4nc[nH]n4)o1)[C@@H](C2)C3=O 587452180 MKYJBGWULHBZEU-QFYYESIMSA-N 355.375 3.046 0 1 FGAF COc1cncc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c12 586969998 FMRANANDFZOZAL-UHFFFAOYSA-N 356.451 3.189 0 1 FGAF COC(=O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587090891 BFQKKIBTOKWYMZ-UHFFFAOYSA-N 351.284 3.353 0 1 FGAF C[C@]1(c2nccnc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341434 YQRFHLFJSKIIFJ-UZLBHIALSA-N 365.364 3.178 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2c1OC 587045925 JUEHJBNCWKOZSH-UHFFFAOYSA-N 362.769 3.393 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 586904670 YDFXFBWXTMCKQW-AWEZNQCLSA-N 360.435 3.295 0 1 FGAF COC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806043 INZBSNXLOPSRMD-JDNHERCYSA-N 356.235 3.291 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005437 IKBNKHWUUZWNEW-NSHDSACASA-N 367.594 3.160 0 1 FGAF CN1C(=O)C[C@H]2CN[C@](COCC(F)F)(c3ccccc3)c3cccc1c32 963020280 FFFGGGMYWYWXFW-LHSJRXKWSA-N 372.415 3.265 0 1 FGAF CN1CCc2cnn(C)c2[C@H]1c1cn2cccc(OCc3ccccc3)c2n1 963955701 RKCZBRFQMQSYNS-OAQYLSRUSA-N 373.460 3.224 0 1 FGAF CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)C(C)(C)O)C3)C2)cc1 11703915 LQMYNLFAKJLMEC-JOCHJYFZSA-N 358.526 3.395 0 1 FGAF Cc1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)cc2c1C 1857574191 OHCBGZOTHAVARJ-UHFFFAOYSA-N 368.387 3.143 0 1 FGAF COc1cc2c(cc1N)C[C@H](C(=O)c1ccc(OC)c(OC)c1OC)CC2 1857640770 DJYSTWUMUZCNKA-CYBMUJFWSA-N 371.433 3.291 0 1 FGAF CC[C@H](O)CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356340560 SBXDKWTYHRBIPS-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)N1CCOCC1 4208256 AOIVFNZFUKLXNN-MJGOQNOKSA-N 370.836 3.291 0 1 FGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)[C@@H]1C 6420168 JRYSSTWOPBIEJX-VBQJREDUSA-N 363.429 3.273 0 1 FGAF OC1=C2C(=Nc3cc4c(cc3[C@@H]2c2ccc3c(c2)OCO3)OCO4)CO1 100871374 IUDASFLIOAMWMD-KRWDZBQOSA-N 351.314 3.162 0 1 FGAF CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 50825241 CGIOPECUDSKKRL-UHFFFAOYSA-N 357.417 3.291 0 1 FGAF C[C@@H](NC[C@H]1Cc2ccccc2S(=O)(=O)N1)c1cccc2ccccc12 72106492 MDKFVGYYZSZEMH-CRAIPNDOSA-N 366.486 3.394 0 1 FGAF Cc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O 199409914 KPSYBMDCFQPRTB-LJQANCHMSA-N 354.425 3.445 0 3 FGAF CCN1C(=O)N([C@H](C)c2ccccc2)[C@]2(OC(=O)c3ccccc32)C1=O 84596185 DSJNRBFZOXCSOU-ZUOKHONESA-N 350.374 3.055 0 1 FGAF O=C(CNC(=O)c1csc(-c2ccccc2)n1)NCC1CCCCC1 82071899 OZSOZAZREDPTJZ-UHFFFAOYSA-N 357.479 3.236 0 1 FGAF CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 84653080 HHMMWLFGLPCCFN-GOSISDBHSA-N 369.396 3.096 0 1 FGAF CC(=O)N[C@H](C)CCc1ccc(C2CN(c3ncc(C4CC4)cn3)C2)cc1 149961433 WPTRRVIJOYSVPU-OAHLLOKOSA-N 364.493 3.415 0 1 FGAF CN1C(=O)N(CC2CCC2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565851 JLVXSPYZZXOVMU-HNNXBMFYSA-N 370.280 3.146 0 1 FGAF CO[C@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 238748919 OGMABKWVTZVRID-TYTPMKRLSA-N 366.498 3.080 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]nc3ncccc23)N1 587797900 SPBZSLYBFKOZCP-GLEZIHRCSA-N 361.218 3.483 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587042693 WAKUCMKMRYJOEV-MRXNPFEDSA-N 359.476 3.203 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1 586941396 SPWVQVIJWIJRIJ-CLFYSBASSA-N 362.842 3.010 0 1 FGAF O=C(Nc1nc(Cc2nc3cc(F)cnc3[nH]2)cs1)c1cccs1 587018971 COSQGBQDQBHNBD-UHFFFAOYSA-N 359.411 3.458 0 1 FGAF CCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587584297 ZJJSAIUWPJTICK-FXAWDEMLSA-N 350.374 3.486 0 1 FGAF COc1ccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(F)c2)c(F)c1 587150347 CNAYWDKBIXVVGM-UHFFFAOYSA-N 369.331 3.092 0 1 FGAF COc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1 587924035 ACKFQWPGILQAJX-UHFFFAOYSA-N 361.448 3.252 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccccc1 587870426 HVMPDMBIXYHSEW-UHFFFAOYSA-N 353.353 3.367 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587441423 FKEQSTULHCXSTP-UGSOOPFHSA-N 356.374 3.210 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1 587245023 VIHHUOWTIJOCMN-UHFFFAOYSA-N 373.416 3.110 0 1 FGAF COC(=O)C1=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587812390 YYDBZUZVTLMGNM-ABKXIKBNSA-N 354.219 3.211 0 1 FGAF COc1ccc2c(c1)cc(CCCC(=O)O)n2S(=O)(=O)c1ccccc1 1772632879 ORONXZGIKSNBIT-UHFFFAOYSA-N 373.430 3.294 0 1 FGAF O=S(=O)(c1ccccc1)n1c([C@H](O)c2ccncc2)cc2ccccc21 5939150 LUTVVMQFMOVHFI-HXUWFJFHSA-N 364.426 3.355 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccc(F)cc3)ncc12 209316766 NMDGJFLWOMIKIT-OAHLLOKOSA-N 373.388 3.005 0 1 FGAF COc1cc([C@H]2C(=O)NC(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC 1857762346 CGCFGRRFOVORIO-KRWDZBQOSA-N 370.405 3.127 0 1 FGAF NCCCC[C@H](N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1655284 ATSBWPZLUVEKIQ-HNNXBMFYSA-N 354.479 3.358 0 1 FGAF CCC=CC[C@H](O)[C@H](O)[C@H](O)C=CCC=CCC=CCCCC(=O)O 2356307216 PKEIAUUUFLFOHM-NSHGMRRFSA-N 352.471 3.129 0 1 FGAF NC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1S(=O)(=O)c1ccccc1 3606717 WSIPBXSTIZJLJU-UHFFFAOYSA-N 369.229 3.406 0 1 FGAF Cc1ccc(CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)C2=O)cc1 4930847 LUDKJFJXDBFSHQ-KRWDZBQOSA-N 351.450 3.110 0 1 FGAF COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NC(C)C)C2 6902138 UASGQRKZMGMWSE-UHFFFAOYSA-N 369.421 3.034 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 27641171 PXGPLTODNUVGFL-KCAPDITFSA-N 354.487 3.043 0 1 FGAF CN1CCO[C@@](OCCCO[N+](=O)[O-])(c2ccc(-c3ccccc3)cc2)C1 27627446 URDWJZSCKHZFFC-HXUWFJFHSA-N 372.421 3.083 0 1 FGAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3NC(=O)NC(=N)[C@H]23)cc1 64453878 JOYKNBJATCNRQR-TWOQFEAHSA-N 374.400 3.000 0 1 FGAF CCN(C)C(=O)[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568264 UVOQIEBXUFHOKA-NHHWGVFUSA-N 357.494 3.314 0 1 FGAF in-vivo O=C(c1ccc(F)cc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356421402 JCEOQKOAHCGIAK-RHSMWYFYSA-N 357.360 3.081 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccccc2)N(C)[C@H]31 36378309 LEXMKBIUBIUDRP-WMQCIHAUSA-N 374.488 3.345 0 3 FGAF COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)ccc1O 14643947 RTHZXRUUOCCNTA-ZDUSSCGKSA-N 360.362 3.133 0 1 FGAF biogenic CN(C)Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 40380325 VEDVILGCCMXGNI-UHFFFAOYSA-N 371.912 3.360 0 1 FGAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](C=O)C(=O)OC 56870899 AUOFTPXWUVYOOQ-LNLFQRSKSA-N 352.434 3.021 0 1 FGAF biogenic NCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653748831 RMUNSFIVFZDDKJ-UHFFFAOYSA-N 367.522 3.123 0 1 FGAF COC(=O)c1cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2cn1 587241996 NDJOQEBWKNQZOX-UHFFFAOYSA-N 352.394 3.396 0 1 FGAF COc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cn1 587020354 OXOJWMYRPNTMOI-UHFFFAOYSA-N 361.427 3.361 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ncccn4)s1)[C@@H](C2)C3=O 587451150 IMIHKPJXKALMES-ZBEGNZNMSA-N 351.387 3.097 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn3cccnc23)N1 587794441 MQPYLZKFDAOBBA-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3CCN(CC3)C2)N1 587790822 JAMDLPHSTUCBIE-PIGZYNQJSA-N 353.279 3.433 0 1 FGAF O=S(=O)(/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1 586924548 RXFYOWIGUVTVHF-YFHOEESVSA-N 356.403 3.169 0 1 FGAF CC[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 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CCOC(=O)[C@@H](C(C)C)[C@]1(C(=O)OCC)NCCc2c1sc(C)c2C 963016334 YHPQNMWZSXCBKU-BEFAXECRSA-N 367.511 3.104 0 1 FGAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1 230508268 MWRLQEZPMWQSMV-UHFFFAOYSA-N 364.555 3.497 0 1 FGAF CCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)[C@H]1CCCNC1 1772629929 PLEJXWFGOGSITA-HNNXBMFYSA-N 371.485 3.019 0 1 FGAF O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccccn2)CC1 12303982 ALHPJJQJFLASKZ-UHFFFAOYSA-N 361.449 3.118 0 3 FGAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2c(F)cccc2F)nn1 203462621 ACPQCVZOGKCQIH-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF O=C(CCc1ccc(N2CCC(N3CCCC3)CC2)cc1)N1CCCC1 103298434 WFWJFGLKDLIHNR-UHFFFAOYSA-N 355.526 3.306 0 1 FGAF CO[C@](C)(C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1 116674044 YUHWNDOAGXIUDW-IBGZPJMESA-N 354.410 3.037 0 1 FGAF COc1ccc([C@@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)c(OC)c1 103282659 DVRJAILEZOMINM-AZUAARDMSA-N 355.434 3.176 0 1 FGAF Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 59263572 MXIVMTFMGCHKJZ-MAUKXSAKSA-N 353.470 3.033 0 1 FGAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 27641461 DLJKPYFALUEJCK-WJDSMEDOSA-N 368.514 3.433 0 1 FGAF fda Cc1ccc([C@H]2C(C(=O)O)=CCN2S(=O)(=O)c2ccc(C)cc2)cc1 34131407 ZQDKIOCPFDVTNY-SFHVURJKSA-N 357.431 3.060 0 3 FGAF CC(C)c1nc(N2CCC(N3CCCCCC3)CC2)c2cnn(C)c2n1 72166720 KYIQNHJMNNZLSU-UHFFFAOYSA-N 356.518 3.332 0 1 FGAF COc1ccc(-c2coc3cc(OC)c(OC)c(O)c3c2=O)cc1OC 14646026 CCZHKEJGAJVDRC-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic CC(C)[C@@]12C=C3[C@H](O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 85666099 NVIRVAAOVXZOTN-QBUATURESA-N 350.455 3.464 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@@H]4[C@H](C2)N(C)CC[C@@]341 195038348 ISCBIDVJEHJCIE-UAVJPNMNSA-N 355.478 3.206 0 1 FGAF COc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@H]1C2 194874761 RDKHMRVCUUWLNS-MJGOQNOKSA-N 368.452 3.226 0 1 FGAF Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 95572279 COEIQPILCBFUEW-UHFFFAOYSA-N 363.356 3.022 0 1 FGAF Nc1ccc(O)c(C(=O)Nc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 299820420 BIHGSXXJFWVHOU-UHFFFAOYSA-N 372.384 3.334 0 1 FGAF CN(C)c1ccc(-c2noc([C@@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cc1 653753010 FCUQVHFTVGETGH-CQSZACIVSA-N 366.469 3.422 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccn3n2)N1 587794529 MYTQWRHRUUMAFK-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 587952639 UZBBDRVBFLVAND-WHXUTIOJSA-N 358.364 3.401 0 1 FGAF c1ccc(C[C@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCCO5)CS2)cc1 587041192 LITXHVNAQJPWRD-YJBOKZPZSA-N 353.447 3.280 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cnccn4)s1)[C@@H](C2)C3=O 587449395 AFZQUBQVHGIZNG-GTNSWQLSSA-N 351.387 3.097 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccnc(Br)c2[nH]1 587043639 SBYFQLGUVIYONH-VIFPVBQESA-N 369.288 3.341 0 1 FGAF CN(C)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336935 MYVUTTVPRJFYJF-UYAOXDASSA-N 357.381 3.127 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1-c1ncc(Br)nc1Cl 587651692 XZRAPXQPHMZSMW-UHFFFAOYSA-N 372.009 3.245 0 1 FGAF CS(=O)(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258216 AXMVXVRXFNWTQD-KRWDZBQOSA-N 365.458 3.362 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COC(C)=O 587398155 CPEJXQVVFHQISQ-IBGZPJMESA-N 355.390 3.355 0 1 FGAF Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1F 587163303 KIKYZFMRWDBGEP-UHFFFAOYSA-N 354.360 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)CN(C(C)C)CC4)[C@@H](C2)C3=O 587453083 PCOSPZMEDIIZPM-DJJJIMSYSA-N 370.474 3.407 0 1 FGAF Cc1ncc(-c2nc3c(S)nc(S)nc3[nH]2)c(C)c1Br 586979934 YPQRODZGXSUGPL-UHFFFAOYSA-N 368.285 3.372 0 1 FGAF Nc1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1C(=O)O 587248354 NXPCIIUPCACJNC-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)no2)N1 587790946 DCENYSPRBZKOFZ-MLXNANBUSA-N 369.190 3.072 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587441753 INXKTOPSQYWWBU-YCRPNKLZSA-N 352.386 3.302 0 1 FGAF CCOc1ccc(F)c([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1F 962932604 SDRPSSYKOPJXRY-LJQANCHMSA-N 360.404 3.300 0 1 FGAF CC(C)CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC(C)C)c1=O 13473633 XNCIQXPNALANLZ-UHFFFAOYSA-N 354.454 3.255 0 1 FGAF Nc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 13588619 TWOHAJFOZUGOAL-UHFFFAOYSA-N 351.406 3.064 0 1 FGAF O=C(O)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 169295254 GCNBLUDADAFSDA-UHFFFAOYSA-N 357.387 3.056 0 1 FGAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OC)c(OC)c1 169730649 GUCPMNSREJKJAQ-ZWKOTPCHSA-N 371.389 3.090 0 1 FGAF COc1ccc([C@@H]2NC(=S)Nc3c2c(=O)oc2ccccc32)cc1OC 6484718 QAYKCZZBDKECPJ-INIZCTEOSA-N 368.414 3.200 0 1 FGAF CCC(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)OC)=C\c1ccc2c(c1)OCO2 1857577001 QCCVBCODHGYAFO-GCPYETISSA-N 373.449 3.469 0 1 FGAF CCCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857615767 TXJVLFWEUKZASN-UHFFFAOYSA-N 366.425 3.269 0 1 FGAF COc1ccc(OC)c2c1C[C@H]1c3cc(COC(C)=O)sc3CCN1C2 1857744345 SOUWIQAJKQCBLD-KRWDZBQOSA-N 373.474 3.484 0 1 FGAF CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(F)c1 1857747274 PPGFYYASBMMZHO-UHFFFAOYSA-N 353.445 3.152 0 1 FGAF O=S(=O)(c1ccccc1)C1CCN(CCc2ccc(F)cc2F)CC1 13472071 DZNPKDVRRVUXBU-UHFFFAOYSA-N 365.445 3.446 0 1 FGAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(CCCc2ccccc2)CC[C@]1(C)O 2356333798 WLBDPBPKMGZHHX-ZLNRFVROSA-N 366.505 3.322 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@H]1O 2356549673 DIYWZICECWKTIT-DMUMMCEESA-N 372.502 3.402 0 1 FGAF CC1(C)[C@H](O)CC[C@]2(C)OC(=O)C(=CCc3cc(O)ccc3O)CC[C@H]12 2356842078 MKQIFVOOVMGNKO-OPYAIIAOSA-N 360.450 3.460 0 1 FGAF N[C@@H](Cc1ccc(-c2cnc(NCC3CCCCC3)cn2)cc1)C(=O)O 40863695 WKRGZLONOCTSHL-KRWDZBQOSA-N 354.454 3.090 0 1 FGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2oncc2C1 40895639 SYVXHALPVYBOLF-OAQYLSRUSA-N 368.525 3.066 0 1 FGAF in-vivo CC[C@H]1c2cn[nH]c2C(=O)[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 49036279 TYZNGDLYLRYJCS-UONOGXRCSA-N 367.858 3.180 0 1 FGAF CC(=O)N1CCCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 84541439 YXVBVLBTWNPTMZ-OAQYLSRUSA-N 369.896 3.477 0 1 FGAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccc(O)c3)ccc12 96905452 ZOIRKDRCVUSRIQ-LJQANCHMSA-N 352.415 3.321 0 1 FGAF OCCCCOc1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143509014 OLWOQNGODBKIIO-GOSISDBHSA-N 368.351 3.109 0 1 FGAF O=C(Cc1ccccc1)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F 473088980 PQKODGSJIMTWOJ-SFHVURJKSA-N 363.335 3.072 0 1 FGAF CN1CCN(c2ccc(-c3cncc(-c4ccc(C(=O)O)cc4)n3)cc2)CC1 299827975 POFXLWUDUVLLAM-UHFFFAOYSA-N 374.444 3.261 0 1 FGAF O=C(O)c1ccnc(-c2cc(NC(=O)c3cccc(O)c3)ccc2O)c1 653722022 KXOVUSAGQCZZDA-UHFFFAOYSA-N 350.330 3.110 0 1 FGAF C[C@@H](c1nc2cnnc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128890 FEDTWVSAXXUZIB-VKHMYHEASA-N 364.690 3.393 0 1 FGAF COC(=O)c1cc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2cc1OC 587042812 HIHQEGCFNJPBKI-UHFFFAOYSA-N 369.402 3.069 0 1 FGAF C[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C=C(c2ccccc2F)NO1 587157865 UTDWVSNYHPQRFH-OAHLLOKOSA-N 365.290 3.254 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(N)=O)N1 587749639 PVEQUQXHNSBMAE-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1OC 587788258 UAIHPJOHFQORTN-UHFFFAOYSA-N 356.378 3.351 0 1 FGAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1 587657445 XEXJAFPBMTWUGQ-UHFFFAOYSA-N 350.328 3.429 0 1 FGAF CC(=O)C[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587829123 QRJUXSABNOCTQR-ABKXIKBNSA-N 372.234 3.162 0 1 FGAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C 587576708 KGDLCZBGJKDLLF-FXAWDEMLSA-N 350.374 3.311 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)c(OC)c1)([C@H](C)O)CC2=O 587480233 OEHUSBDYJKANFC-LAJNKCICSA-N 372.417 3.300 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C(F)(F)C1 587132241 NYVPRSGBFMJGGR-SECBINFHSA-N 367.352 3.261 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cnccn23)N1 587773052 HOBNJMDKMFKAFA-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)s1)[C@@H](C2)C3=O 587450332 JKQVVDFXVPAKFL-SDBXPKJASA-N 352.209 3.403 0 1 FGAF CC(C)C(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772633038 QAUYWKGTILNTNC-GFCCVEGCSA-N 366.425 3.435 0 1 FGAF Cc1nc2sc([C@H](c3ccccc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 13147436 GOAMXJOTLKPXBX-ZOWXZIJZSA-N 358.467 3.003 0 3 FGAF N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1 13982379 FUAKCAYITOKHOL-PMACEKPBSA-N 370.399 3.375 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCF)[C@@H](c1ccc(Br)cc1)C2 169361763 OGMONSYQNAKIFE-FPCVCCKLSA-N 369.278 3.101 0 1 FGAF Oc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1 1857598099 AYUOAFKKDJKRFJ-UHFFFAOYSA-N 353.363 3.180 0 1 FGAF CCCc1nn(C)c2c(N3CCOCC3)nc(/C=C/c3ccccc3)nc12 1857606892 ZVCJLUFVNOZYMX-ZHACJKMWSA-N 363.465 3.323 0 1 FGAF Cc1nc(-c2ccccc2)c(-c2ccnc(NC(=O)CCn3cncn3)c2)[nH]1 1857621014 QUSKIRSLVGFZJX-UHFFFAOYSA-N 373.420 3.067 0 1 FGAF Cc1nc2c(N3CCNCC3)ccnc2n1CCc1cccc(Cl)c1 1857636182 GEUYPYSKMMPMTK-UHFFFAOYSA-N 355.873 3.045 0 1 FGAF CCCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590227 BGMBFSAZOKETIN-UHFFFAOYSA-N 355.442 3.446 0 1 FGAF O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 6803978 GAFNHLCRQOMUMT-QGZVFWFLSA-N 355.825 3.191 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)NCCN(C)CC1CCCCC1 28234666 WKNYTKVTATYNHF-UHFFFAOYSA-N 353.894 3.173 0 1 FGAF COc1cc(OC)cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c1 100979090 AZXKWXPHQAJYEW-IRXDYDNUSA-N 370.449 3.222 0 1 FGAF Cc1cn([C@H]2O[C@H](COCc3ccccc3)[C@@H](F)[C@@H]2F)c(O)nc1=S 29397259 VGHNMFKDHUBHJR-NYTXWWLZSA-N 368.405 3.417 0 1 FGAF CCN(C)[C@@H]1c2ccccc2C2(CCN(c3ccc(Cl)nn3)CC2)[C@H]1O 23379792 ITDLCWXLOAQKJS-MOPGFXCFSA-N 372.900 3.036 0 1 FGAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O 2356497227 FYHIZHOFZHNXAI-FZMZJTMJSA-N 364.829 3.299 0 1 FGAF CC=CC=CC(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C)C(=O)O)[C@@H](C)c1ccccc1 2356793434 KNPRAIKHBOCDJD-OLMMMNRUSA-N 373.449 3.060 0 1 FGAF COC(=O)c1ccc(C[C@]2(C)C(=O)Nc3ccc(OC(F)(F)F)cc32)o1 61895609 JORXUHLEWYHMHP-INIZCTEOSA-N 369.295 3.417 0 3 FGAF CC(=O)O[C@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1N(C(C)=O)CC4)OCO3 14618052 RECDUZGPRIBATN-PMACEKPBSA-N 365.385 3.146 0 1 FGAF biogenic O=C1[C@H]2CCCN2C(=O)N1CCCCNCc1cccc2ccccc12 73198771 RPMGQERYOMLPAP-LJQANCHMSA-N 351.450 3.136 0 1 FGAF Cc1ccccc1C1=N[C@](C)(CC(=O)NCc2ccccc2F)ON1C 74373221 IELCMFNMDXGJFW-FQEVSTJZSA-N 355.413 3.180 0 3 FGAF CN(CC[C@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O)c1ccccc1 20463477 IFZLQPKMPNKXSV-ROUUACIJSA-N 358.482 3.252 0 1 FGAF biogenic CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)O)C2)cs1 82069426 AZMZIAJVLRCSLO-LBPRGKRZSA-N 360.435 3.146 0 1 FGAF C[C@@H](O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 145134007 WDFIRAASCCQJKG-LLVKDONJSA-N 353.426 3.283 0 1 FGAF c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1 96927001 WLXBZZLKNLKRKJ-UHFFFAOYSA-N 355.445 3.473 0 3 FGAF COc1ccc2c(c1OC)-c1c3c(cc4c1[C@H](C2)N(C(C)=O)CC4)OCO3 238773743 CEWDVWJEOAUXIY-AWEZNQCLSA-N 367.401 3.101 0 1 FGAF N[C@@H](C(=O)O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1 299853076 FKUPOQLQJDQIOV-NHCUHLMSSA-N 350.462 3.385 0 1 FGAF CC(C)(C)Nc1nc(-c2cccnc2)c(-c2ccnc(NCCO)n2)s1 299849418 KAHRETFYWQYZGI-UHFFFAOYSA-N 370.482 3.277 0 1 FGAF COc1cc(NC(=O)Nc2nccs2)cc(-c2cn(C)cn2)c1OC 653768414 JBQQBZKFRAJJGL-UHFFFAOYSA-N 359.411 3.205 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccn(C)n1)CC2=O 587477792 VDTYPFRLKAOWQO-XETPZZHUSA-N 355.438 3.014 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCC(=O)O 587398830 FKUWUAYJXCNZGK-KRWDZBQOSA-N 371.389 3.146 0 1 FGAF O=C(CNC(=O)c1ccc2ncccc2c1)N[C@@H]1CCCc2ccccc21 149156556 MBGWYGHZHAXUFZ-HXUWFJFHSA-N 359.429 3.158 0 1 FGAF NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577520 KWONLWHBAXDTHY-PXNSSMCTSA-N 361.353 3.194 0 1 FGAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](C)O)[nH]c4c3)o2)cc1 586888924 DLIDECFKYNZAQF-NSHDSACASA-N 350.378 3.212 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)c(OC)c1)[C@@H](C2)C3=O 587442765 LMBBUHZSWJNVFX-RBZFPXEDSA-N 356.374 3.081 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(Br)c1O)O2 587374959 ANYCKSWQBZINQW-AWEZNQCLSA-N 364.195 3.457 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2cc(C)c(Cl)cc2[nH]1 587566376 JTLXWSHMMCHJND-UHFFFAOYSA-N 368.861 3.444 0 1 FGAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)cc1CO 962618784 DVDVPZCJSACBFO-ASSNKEHSSA-N 357.450 3.171 0 1 FGAF COc1cccc(C[C@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963511868 VPJVLNNUXCBOOM-PGRDOPGGSA-N 367.445 3.156 0 1 FGAF COc1ccc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1N 1772627062 CTWGNAGKKQHTTI-UHFFFAOYSA-N 372.432 3.006 0 1 FGAF CCC[C@@H]1CCCO[C@@](C(=O)NCc2cc(C)n(C)n2)(C(F)(F)F)C1 13829130 RPBKYQVSXPLKJU-CJNGLKHVSA-N 361.408 3.263 0 3 FGAF O=C1OCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640890 KCCFIQQBKNDLNR-AWEZNQCLSA-N 360.360 3.276 0 1 FGAF O=C1CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2C=C[C@@H](COc2ccccc2)O1 253695903 ZWESPJLQSOQNEF-XIYVOTBMSA-N 372.461 3.022 0 1 FGAF COc1ccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2c1 1489582 WAPBQFRODQBNJI-UHFFFAOYSA-N 366.402 3.009 0 1 FGAF CC1=C[C@H](CNS(=O)(=O)c2cccs2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356300725 NIGOAAVROSJHEW-RRFJBIMHSA-N 371.524 3.356 0 1 FGAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1cccc(C)c1 7005461 XHRNPZWYUMMIET-UHFFFAOYSA-N 372.446 3.446 0 3 FGAF Fc1cc(Sc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1 28386056 ABVSSWQQOYSVAR-UHFFFAOYSA-N 350.382 3.410 0 1 FGAF C[C@@H]1CN2C(=O)CC[C@@]34C5=CCC[C@@H]5CC[C@H]5[C@H](O)OC[C@]53CC[C@H]1[C@H]24 28969639 GNMRIAQESVHTAO-WLUMLPAJSA-N 357.494 3.105 0 1 FGAF O=C1Cc2c(OCCNCCCc3c[nH]c4ccccc34)ccc(F)c2N1 26154052 RTTDUHNRPAYWKJ-UHFFFAOYSA-N 367.424 3.403 0 1 FGAF CO[C@@H]1C[C@]23COC(=O)C2=CCC[C@@H]3[C@](C)(CC[C@H]2COC(=O)C2)[C@@H]1C 2356589090 SCUXVSVJZSSYMR-LMVGYPHNSA-N 362.466 3.270 0 1 FGAF O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1Cc1ccccc1 73240008 UMTMNOZZNALIAV-UHFFFAOYSA-N 351.793 3.386 0 1 FGAF COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c(OC)c1 12153267 AHUAGKUYEMQHTH-UHFFFAOYSA-N 358.346 3.200 0 3 FGAF biogenic,in-vitro COC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@](C)(OC)CC2)cc1 43015048 PHXOHFAKIXADEA-GOSISDBHSA-N 355.500 3.148 0 1 FGAF CCOC(=O)C(=O)Nc1nc(-c2ccc3oc(C)c(C)c(=O)c3c2)cs1 40631446 CQLJWBAKVWTERD-UHFFFAOYSA-N 372.402 3.035 0 1 FGAF CCOc1cc2[nH]c(-c3n[nH]cc3NC(=O)N(CC)CC)nc2cc1F 84587050 UJXIKUVGGQECLJ-UHFFFAOYSA-N 360.393 3.365 0 1 FGAF in-vitro NC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 87657504 WAHIVNCSQSVWPR-UHFFFAOYSA-N 360.461 3.392 0 1 FGAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCC/C=C/c2cccc(F)c2)c1 95921088 GKGVFZUGOXZFKN-YUOLOVIMSA-N 355.457 3.362 0 1 FGAF in-vitro CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21 144199507 AGTWTNALRMIKJL-NSHDSACASA-N 364.858 3.144 0 1 FGAF COc1cc(OC)c2c(=O)cc(-c3ccco3)oc2c1-c1ccnn1C 95591540 DICZPKMTRZFBDL-UHFFFAOYSA-N 352.346 3.471 0 1 FGAF NCCC[C@H](Cc1cn([C@H]2CC[C@H](Oc3ccccc3)CC2)cn1)C(=O)O 261190743 ZALSOORDNKVPOI-YVWKXTFCSA-N 371.481 3.428 0 1 FGAF Oc1ccc(Nc2ncc(Br)c(NC[C@@H]3CCCO3)n2)cc1 299852032 MGJLMNKJNFDXAN-LBPRGKRZSA-N 365.231 3.279 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2nnc(C)n2n1 587863631 NTHPQSJTELRWSV-UHFFFAOYSA-N 374.326 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@H](C)Cc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587452268 KIAFXNUVJOGQQU-DQLGPHAMSA-N 352.386 3.419 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586879675 MPGUUFWPPAGTOA-JXMROGBWSA-N 356.403 3.121 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2C(=O)O)N1 587788987 AVWCLOACBPSGKY-UOWDBTKRSA-N 353.191 3.238 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cncn2)(C2CC2)N1 587760689 PXKBDNBANXNEIQ-MGPLVRAMSA-N 365.250 3.019 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586961553 KCSWVKSDFLFCRD-SCSAIBSYSA-N 357.226 3.196 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 586951960 DKNMSKMQUAVWGK-UHFFFAOYSA-N 358.467 3.030 0 1 FGAF O=C(c1ccon1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657376 ZQJZRXZFJIYQTB-UHFFFAOYSA-N 353.284 3.018 0 1 FGAF Cc1noc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587792514 ITBRLNIYLMGLRX-ANRSDYALSA-N 354.223 3.272 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC(=O)N(C)C)[C@@H](C2)C3=O 587428542 JSOTUORHNJWWTI-IFXJQAMLSA-N 353.374 3.244 0 1 FGAF Cc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771666 CHGQPRDBVWOGLI-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF CCOC(=O)[C@@H](C1CCCC1)[C@]1(C)c2ccsc2CCN1C(N)=O 962709485 QTPODBSNZRVZMT-QAPCUYQASA-N 350.484 3.270 0 1 FGAF O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccccc3o2)C1 201461256 KMNPAULOMUMZRL-HNNXBMFYSA-N 353.397 3.500 0 3 FGAF Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCN(C)C1 205608310 QBPHLNICINKWAO-KRWDZBQOSA-N 370.497 3.036 0 1 FGAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2n[nH]nc2c1 205433639 YUTKSZYHIIBKOW-UHFFFAOYSA-N 362.393 3.111 0 1 FGAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O 5999128 VBIRCRCPHNUJAS-TUGJPZLJSA-N 356.374 3.205 0 1 FGAF endogenous,in-man O=C(Nc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1ccncc1 2657924 GFOUQHCFAPDKJW-UHFFFAOYSA-N 354.193 3.367 0 3 FGAF COc1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(N3CCOCC3)c2)cc1 26735683 WJBMWOXWUOOKSK-YRYLYKBFSA-N 366.461 3.422 0 1 FGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@H](C)[C@@H]2C(=O)[C@]2(O)C[C@@H](CC(C)C)NC2=O)C1 2356866674 WGUBLCYMEGYPMR-MPINGQCISA-N 359.510 3.406 0 1 FGAF Oc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 66076303 JINMKHFHVSSLDV-UHFFFAOYSA-N 360.461 3.095 0 3 FGAF NC(=O)c1ccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1 72102257 XXGCSAYAFWRPDV-IBGZPJMESA-N 356.784 3.257 0 1 FGAF Cc1cccc2c1c(Cn1c(=O)n(CCC(=O)O)c3ccccc31)cn2C 72176801 GWKLGCTZOZIBKD-UHFFFAOYSA-N 363.417 3.126 0 1 FGAF NS(=O)(=O)c1ccc(-c2ccc([C@@H]3OC(=O)c4ccccc43)cc2)cc1 1911576871 XCFVYTWWBGQZPB-IBGZPJMESA-N 365.410 3.261 0 1 FGAF COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)c(OC)c3[C@@H]1C2 84711292 COLMLJLOZPVXNR-INIZCTEOSA-N 371.433 3.082 0 1 FGAF Nc1ccccc1-c1nnc(C(=O)Nc2cc(-c3cccs3)[nH]n2)o1 43123179 LEPMBCXBWPDXHG-UHFFFAOYSA-N 352.379 3.023 0 1 FGAF aggregator Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)[C@@H]1CC[C@H](C2)N1 96175238 KHORPUNSGKTHMR-DOMZBBRYSA-N 368.458 3.066 0 1 FGAF CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3ccc(C)cc3nc2Cl)S1 98084826 HVMNZFLPJJLELS-OAHLLOKOSA-N 362.842 3.198 0 1 FGAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(F)c2)C1)c1cccc(F)c1 95585929 UBMPPNBPDAFAEE-ROUUACIJSA-N 358.388 3.436 0 1 FGAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@H]2F)c(O)nc1=S 253708562 VGHNMFKDHUBHJR-HLPPOEQASA-N 368.405 3.417 0 1 FGAF COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 653729361 ZOTRJUGQJUBTPH-UHFFFAOYSA-N 373.386 3.053 0 1 FGAF FC(F)(F)c1nn(CCc2nc3cncnc3[nH]2)c(C2CC2)c1Cl 587116973 NZEGDRAMVMROFH-UHFFFAOYSA-N 356.739 3.342 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)O)nn3ccccc13)O2 587394329 FDOIKNNOJWYBLJ-MRXNPFEDSA-N 351.406 3.159 0 1 FGAF NC(=O)c1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587028975 DGGQWBYDICZTDA-UHFFFAOYSA-N 374.429 3.183 0 1 FGAF COc1cc(OC)c2c(c1)OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587411472 JNXAMCIJVPIBHQ-FQEVSTJZSA-N 355.390 3.238 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CN3CCOCC3)cs1)O2 587411292 SCLCBBOHSARZBI-FQEVSTJZSA-N 372.490 3.352 0 1 FGAF O=C1Nc2ccccc2C12CCC1(CC2)NCCc2nc3ccccn3c21 962989362 ZUXAHOGBACKSCU-UHFFFAOYSA-N 358.445 3.139 0 1 FGAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963136617 ZVEOEXXAAHEACR-ZWKOTPCHSA-N 356.422 3.093 0 1 FGAF CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 15481541 HHSMVTBXPRFIKH-LIRRHRJNSA-N 363.527 3.242 0 1 FGAF COc1ccc(Cl)c2c(NCCCN(C)C)c3c(C)nn(C)c3nc12 169328568 DNIRRCBHMRPEQP-UHFFFAOYSA-N 361.877 3.456 0 1 FGAF CN1[C@H]2CC[C@H](OC(=O)[C@@](O)(c3ccccc3)c3cccs3)[C@H]1CC2 169332579 XGVQNYKSWMAKQT-PDOICOKGSA-N 357.475 3.152 0 1 FGAF COC(=O)c1cc(-n2c(O)c3c(c2O)[C@]2(C)C=C[C@]3(C)O2)ccc1Cl 169689369 XDVWRPVMYPJFNI-ROUUACIJSA-N 361.781 3.359 0 1 FGAF CC[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(C)n1 207736723 BHZYUKRLIPVVFT-HNNXBMFYSA-N 356.426 3.320 0 1 FGAF CN1CCC[C@@H](Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)C1 1857615026 JDQWEBAFXPTDQU-CYBMUJFWSA-N 359.817 3.253 0 1 FGAF CC(C)CS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 3784956 UQFQLLQRXFUHJK-HOJAQTOUSA-N 362.539 3.056 0 1 FGAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)OCc1ccccc1 101514042 GFHBOSTXFSACKB-UHFFFAOYSA-N 350.403 3.293 0 1 FGAF CC(C)C[C@H](CO)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1=O 8680067 GXQWAGOOFFWKKB-LJQANCHMSA-N 374.525 3.066 0 3 FGAF COC(=O)c1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)o1 100582655 QUZIHRMQNGMDEA-SSZFMOIBSA-N 368.418 3.190 0 3 FGAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(N)=O)CC3)cc2)nc1C(N)=O 101581725 AUAYEZNPJOOJDS-GASCZTMLSA-N 366.465 3.009 0 1 FGAF Cc1ccc(NC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)cc1Cl 103711272 HTLAOPNUBWOJJU-UHFFFAOYSA-N 366.808 3.430 0 3 FGAF Cc1c(-c2ccc(=O)n(CC(F)(F)F)c2)c2ccccc2n1CC(=O)O 117015928 CKPVZBZMSLQQFI-UHFFFAOYSA-N 364.323 3.425 0 1 FGAF CC(C)CC[C@H](C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 28388122 WQTBSMORPCLWMI-INIZCTEOSA-N 365.543 3.130 0 1 FGAF CC[C@@]1(C)C(=O)C[C@H](c2c(O)c(C)c(C)oc2=O)c2c1oc(C)c(C)c2=O 2356579951 IQOQYVAMVLWEDE-ZSEKCTLFSA-N 372.417 3.305 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C 2356660148 GFUASHMLKMINGK-LPCQMJKOSA-N 374.433 3.170 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3(COC1)[C@@H]1[C@H](O)c4occc4[C@H](C)[C@H]1CC[C@H]32 2356787053 TVXDWALFLWGXFF-IRXWHKFBSA-N 360.450 3.432 0 1 FGAF CC1=C[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@]34CC(=O)C[C@]3(C)[C@@]2(CC1)CO4 2356807027 AIYSATQWSAEUJE-SSXICUSMSA-N 368.429 3.433 0 1 FGAF COc1ccc2c(c1)c([C@H]1CCN(C)C1)cn2S(=O)(=O)c1ccccc1 72176894 RWJGYVBFADNMBK-HNNXBMFYSA-N 370.474 3.306 0 1 FGAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1 39241329 GBIPFTGFDWOBEF-KRWDZBQOSA-N 366.465 3.267 0 1 FGAF O=c1ccoc2cc(OCc3cn(Cc4cccc(F)c4)nn3)ccc12 84727400 SWEMTFMIUPXXKP-UHFFFAOYSA-N 351.337 3.151 0 1 FGAF Cc1nc(-c2nccs2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 141626749 ZVEWWKXWUCEKRJ-UHFFFAOYSA-N 362.462 3.399 0 1 FGAF Cn1cc(-c2c[nH]c3ncc([C@H]4CC[C@@H](N5CCOCC5)CC4)cc23)cn1 148320524 BCIAPPMPZKEHOE-RZDIXWSQSA-N 365.481 3.322 0 1 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2 28820376 NNJWBZJTAKJKBL-PMACEKPBSA-N 360.406 3.412 0 1 FGAF biogenic C[C@@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@H](C)C(=O)C4(C)C)C(=O)O1 85798433 VLWLCFZSWPLWOA-BDAKNGLRSA-N 368.385 3.032 0 1 FGAF biogenic S=C1NN[C@@]2(N1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N[C@@H]1c1ccccc1 299846552 UKGCMHSGRPNWOO-VDRZXAFZSA-N 364.518 3.167 0 1 FGAF Oc1nc(CCCCN2CCN(c3ccccc3)CC2)nc2ccccc12 299868698 SFSLXKQLJWRWRT-UHFFFAOYSA-N 362.477 3.480 0 1 FGAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(S)nc(S)nc2[nH]1 587108608 FOOUGLCHPCYDLV-UHFFFAOYSA-N 372.353 3.314 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(N3CCN(C)CC3)c1)O2 587381001 DWRMXGKHWJWTNG-HXUWFJFHSA-N 369.440 3.175 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 587135725 BWBXDZAVIXOLMM-UHFFFAOYSA-N 359.155 3.055 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c1 587926607 JRWGUBKNTHEYEQ-UHFFFAOYSA-N 370.405 3.361 0 1 FGAF CCC[C@@]1(/C(=C/N(C)C)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587387858 TWWUTNITYMTHKO-IURSYISVSA-N 360.454 3.090 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2ccc3c(c2[nH]1)CCCC3 587568012 JNXCTTKCTQCRQI-UHFFFAOYSA-N 374.481 3.361 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)c(C)nn1C)O2 587376088 GUZJGWPWLCHSES-LBPRGKRZSA-N 350.216 3.088 0 1 FGAF COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)nn1-c1ccccc1F 587155222 BQGKURZPAQLLAK-UHFFFAOYSA-N 352.325 3.262 0 1 FGAF CCOC(=O)C[C@@]1([C@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587530417 BQZSKSUAUIRPCH-WIYYLYMNSA-N 358.434 3.402 0 1 FGAF COC(=O)C1(C)CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810084 SYCKSYIPZBHUQB-SRMZHNRWSA-N 356.235 3.291 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CCO)cc4[nH]3)cc2N1 587123312 HPOXYHUELFYIEQ-YMTOWFKASA-N 365.359 3.269 0 1 FGAF CC(C)Oc1cc2nc([C@H](O)C(C)(C)CO)[nH]c2cc1Br 586903102 NKDDXTOYKQSSEP-ZDUSSCGKSA-N 357.248 3.165 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(=N)[nH]cc2[nH]1 587190241 JAGYPVQRFAGMQK-INIZCTEOSA-N 353.426 3.327 0 1 FGAF O=C(CNC(=O)c1ccc2ncccc2c1)N[C@H]1CCCc2ccccc21 149156730 MBGWYGHZHAXUFZ-FQEVSTJZSA-N 359.429 3.158 0 1 FGAF COc1ccccc1[C@]1(CN)c2cccc(F)c2CCN1[C@H]1CCSC1 962713419 RRTWQQMCMWPFSG-BTYIYWSLSA-N 372.509 3.400 0 1 FGAF Cc1cc2c(cc1O)C1(N[C@H](C(=O)O)C2)[C@H]2CC[C@H]1Cc1ccccc1C2 963525505 NHEBBDQEPPBQHP-BJLQDIEVSA-N 363.457 3.320 0 1 FGAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)c(F)c1)C(F)(F)F 13760203 DFQCVXOIMDPCJO-INIZCTEOSA-N 355.287 3.309 0 1 FGAF C[C@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1 14948446 BIUQBVVQDMIYBG-ZANVPECISA-N 369.252 3.097 0 1 FGAF Cc1nc2c(o1)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 169322311 RGBDJIINQPHOOF-CQSZACIVSA-N 370.424 3.462 0 1 FGAF C[C@]1(c2nnnn2Cc2ccccc2)CCCC(=O)N1Cc1cccs1 203465244 ATVPBZOXVCEUBQ-LJQANCHMSA-N 367.478 3.211 0 3 FGAF COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cncnc32)c1 4238777 QFHODSGBGYSEDZ-UHFFFAOYSA-N 372.428 3.029 0 1 FGAF CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1 4238893 HZAKGVDUXOAJNF-UHFFFAOYSA-N 371.444 3.162 0 1 FGAF O=C(Cn1cc(-c2ccc(F)cc2)nn1)Nc1nc2ccccc2s1 1857566267 AHTBEJLDCVQKDX-UHFFFAOYSA-N 353.382 3.333 0 1 FGAF CC(C)(Cc1ccccc1)N[C@H](CO)c1ccc(O)c2nc(O)ccc12 1857768534 IWFKBGORXVKRTD-QGZVFWFLSA-N 352.434 3.290 0 1 FGAF COC(=O)C1=CCC[C@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O)[C@@H](CC1)O2 2356388703 OFJJTBHDOUZRJP-PMXSJFBMSA-N 366.498 3.292 0 1 FGAF COc1cc2c(cc1OC)-c1cc3c(OC)c(OC)ccc3c[n+]1CC2 29401558 DCBRYIYWQYULJF-UHFFFAOYSA-N 352.410 3.385 0 1 FGAF CC(C)/C=C(/C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1 64539500 UVUKJGDYSUGMBE-GXDHUFHOSA-N 350.465 3.225 0 1 FGAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCCCn2ccnc2)[nH]n1 61926210 LFVMSSNWSHDTNB-UHFFFAOYSA-N 371.416 3.020 0 3 FGAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCO)cc(O)c12 66251884 WEENLUPJMSKVCL-UHFFFAOYSA-N 356.374 3.413 0 1 FGAF CC(C)C[C@@H](CN1C(N)=NC[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2 61959633 RVTPRHVXSHMEBK-AHHUIIKDSA-N 374.573 3.143 0 3 FGAF NCCCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 28825857 UCCNNHFPGHICIT-FQEVSTJZSA-N 361.489 3.445 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356477993 OYLNTXTUFZDPQX-BJLQDIEVSA-N 362.539 3.331 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1CCC[C@@](C)(O)[C@H]1O3 2356777653 AYNGSAXKNKEGEG-VTOVKPRRSA-N 372.417 3.327 0 1 FGAF COc1ccc(C[C@]2(O)c3cc(Cl)c(Cl)cc3C3=NCCN32)cc1 34821416 MLOBESGUWPLLDG-SFHVURJKSA-N 363.244 3.466 0 1 FGAF CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O 73390361 AUNMHWAGSWQKHU-UHFFFAOYSA-N 355.482 3.333 0 1 FGAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccc(F)cc4)cc23)CC1 71295457 HUACZVLZBGEGGA-UHFFFAOYSA-N 373.453 3.344 0 1 FGAF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1 84596824 IWLWXBKPLPLVDT-UHFFFAOYSA-N 369.446 3.071 0 1 FGAF CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 82088104 XMMLIOSQNGGVKE-UHFFFAOYSA-N 374.437 3.082 0 1 FGAF O=C(CCc1noc2c1Cc1cc(O)ccc1-2)Nc1ccccc1C(=O)O 40937968 FJMNOEYZTHLZFG-UHFFFAOYSA-N 364.357 3.221 0 1 FGAF O=C1CC[C@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1 144843062 TVQVOQYCUOVNMU-ADLMAVQZSA-N 363.335 3.123 0 1 FGAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(Cl)nc4)[C@@H]3C2)nc2ccccc21 253665820 HRIUMMSQJIKREG-MUJYYYPQSA-N 368.868 3.379 0 1 FGAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@H](c2ccccc2)C1 299867109 PWVBYCDHPPBPPV-HNNXBMFYSA-N 363.373 3.031 0 1 FGAF Cn1ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548691 QEPIEZPDNBLCQT-KDOFPFPSSA-N 356.765 3.482 0 1 FGAF N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]1c1ccccc1F 587155645 JLWUSBPMQAFMMB-NXSYQRQQSA-N 371.725 3.457 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(CC[C@@H](C)CC(=O)O)nc2c1 587960274 GXWJWLQEVJYIDL-MRVPVSSYSA-N 369.215 3.155 0 1 FGAF Nc1ncnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587151889 VGKFOLJGUXTGBL-OAHLLOKOSA-N 353.332 3.382 0 1 FGAF O=C1CC=C(c2nc3ccc(Cl)nc3[nH]2)NN1Cc1ccc(F)cc1 587162286 ALTUNWCZJHYQHO-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF Cc1cc2c(cc1F)[C@@H](c1c(C)nn(CC(=O)OC(C)C)c1C)NCC2 962094380 SGUFOONQXFAOML-FQEVSTJZSA-N 359.445 3.134 0 1 FGAF Cc1ccnc2c1CCN[C@@]2(CSCC(=O)O)c1ccc(Cl)cc1 963078509 XYZNUYNTRXFFHB-SFHVURJKSA-N 362.882 3.251 0 1 FGAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc(OC)c2c1=O 5386102 JJVPNKXEZHXLMU-UHFFFAOYSA-N 367.357 3.109 0 1 FGAF C[C@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(C#N)c1 168079499 ONGKHRMQCCVSPT-INIZCTEOSA-N 372.428 3.378 0 1 FGAF O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)nc1O 1857550013 JODNXYVYEVCMNI-UHFFFAOYSA-N 366.748 3.401 0 1 FGAF Cc1cc(NN)n2nc(SCc3cccc(C(F)(F)F)c3)nc2n1 1857584496 HDEHDVLSMZUILH-UHFFFAOYSA-N 354.361 3.029 0 1 FGAF COc1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1 1857599344 DPAQSDGKULVSIB-UHFFFAOYSA-N 373.460 3.457 0 1 FGAF CN1CCC(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857614184 BDHGPAIGJFULDV-UHFFFAOYSA-N 356.491 3.247 0 1 FGAF COc1ccc(CN=c2[nH]c3c(F)cc(F)cc3c(O)c2C(C)=O)cc1 1857614951 YVFAXYXEALISFQ-UHFFFAOYSA-N 358.344 3.464 0 1 FGAF CN1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857639629 WFBMCRAHZICBCU-OAHLLOKOSA-N 373.403 3.191 0 1 FGAF O[C@@H]1C[C@H](c2ccccc2)[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]1O 2356316888 ABIGVQAHXVGLGA-BDXSIMOUSA-N 351.368 3.073 0 1 FGAF C[C@@](O)(c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61926945 WTMQYRJSLQUHLZ-GOSISDBHSA-N 359.472 3.469 0 3 FGAF Cc1ncc(C(N)=O)nc1-c1ccc([C@H]2CC[C@@H](CC(=O)O)CC2)cc1 118457283 WHDCKKLAGABMGQ-HDJSIYSDSA-N 353.422 3.299 0 1 FGAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 28955024 LONXUDVWONZAOP-MRXNPFEDSA-N 351.424 3.008 0 1 FGAF CC(C)COC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 64528416 WWLXCBWZRWCQOW-SVXFNXITSA-N 364.486 3.404 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 2356654959 RAGTWZSJFJRYFW-WOJBJXKFSA-N 373.541 3.107 0 1 FGAF CCC=CCC=CC[C@H](O)[C@H](O)C=C[C@H](O)CC=CCCCC(=O)O 2356792858 GWRXSUUNZUWJCL-CEXWTWQISA-N 352.471 3.129 0 1 FGAF CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)nc1 72126998 FHGFXYCEEMCXMW-UHFFFAOYSA-N 370.453 3.042 0 1 FGAF COC(=O)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C 82082747 HPGRFVCISVXKJD-QGZVFWFLSA-N 352.390 3.422 0 1 FGAF CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cc(OC)ccc2C1 49066512 OTNPNERPLGIDKB-UHFFFAOYSA-N 353.374 3.366 0 1 FGAF CC(C)Oc1cc2c(-c3cc(N4CCOC[C@@H]4C)ncn3)n[nH]c2cc1F 221292655 DCNSBRYZUKAPPM-LBPRGKRZSA-N 371.416 3.171 0 1 FGAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1Nc1ccccn1 98083684 URMNJKFZZCEBLA-JSRAGOMMSA-N 367.408 3.301 0 1 FGAF COc1cc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc(OC)c1 95591227 OFTQPWXOUGAPLX-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)nc1 299824772 XBOWIOGPGPNTHP-UHFFFAOYSA-N 365.355 3.185 0 1 FGAF CC(C)(C)n1nnc2c1CC[C@@H](c1nc(Cc3ccc(F)cc3)no1)C2 653751509 CSWUCKIQVMWNNI-CYBMUJFWSA-N 355.417 3.419 0 1 FGAF COC(=O)c1cc2nc([C@H]3CC[C@@H]3N)[nH]c2c(F)c1Nc1ccccc1 587246110 CQYACYYFRFXYIH-AAEUAGOBSA-N 354.385 3.437 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2N)N1 587748373 WPTIYAGZFBWPRA-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cn1 587244151 AULXLKSZZDQBPC-UHFFFAOYSA-N 362.187 3.269 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(Cl)n1 587868345 KTCSQKZLVFTXKO-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ncccc1C)CC2=O 587488682 RLKDUIDBNRKGOJ-OAQYLSRUSA-N 369.417 3.472 0 1 FGAF COc1ccc(CNC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587385478 CROZMRPDOWCECG-OAQYLSRUSA-N 368.433 3.016 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587231099 LQYPTSWLRWZDQK-UWVGGRQHSA-N 371.268 3.301 0 1 FGAF O=C1C[C@@](c2cc3ccccc3o2)(C(O)O)Oc2c1ccc1c2CCCC1 587533655 SGIRHNMSWVQSST-JOCHJYFZSA-N 364.397 3.483 0 1 FGAF N[C@@H](c1ccsc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587025334 LNQBLYXYCNVEKB-JTQLQIEISA-N 352.213 3.133 0 1 FGAF COCOc1ccccc1[C@@]1(c2cccnc2)NCCc2ccc(O)cc21 963342011 QCMAJLIWQVMCDI-JOCHJYFZSA-N 362.429 3.208 0 1 FGAF CC(=O)N[C@@H](C)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953621 JUBZYKIFHILODR-SJCJKPOMSA-N 370.415 3.097 0 1 FGAF CCn1c(=O)cc(OCC(=O)Nc2ccc(C)c(F)c2)c2ccccc21 5066920 HSRAZQCTJPMXQY-UHFFFAOYSA-N 354.381 3.486 0 1 FGAF COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2nc(C)ccc2c1 13817978 SAPWBNJQBATSRN-UHFFFAOYSA-N 357.435 3.243 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169304284 RWBGTUPTUTZUOU-MTQFPVNUSA-N 369.505 3.452 0 1 FGAF COc1cc(C)c(Cl)cc1-c1cn2ccc(N3CCNCC3)cc2n1 1857607268 KKOBLPQIPHJDSF-UHFFFAOYSA-N 356.857 3.381 0 1 FGAF CN(C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)C1CC1 1857616602 KWVNBARHUWFOOX-UHFFFAOYSA-N 354.429 3.120 0 1 FGAF Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)[C@](C)(O)C(F)(F)F 1539870 PZGHXVWHEWKTBV-KRWDZBQOSA-N 351.324 3.478 0 1 FGAF CCC(=O)NS(=O)(=O)c1cc(Nc2cccc(Cl)c2Cl)ccn1 4019206 XWFFNDHDSVLONM-UHFFFAOYSA-N 374.249 3.347 0 1 FGAF S=C(NCc1ccco1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100975251 AJOICXJHYCHWDK-ROUUACIJSA-N 355.507 3.439 0 1 FGAF CCN1CC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862251 KKHSRRAAPRDEAZ-HNNXBMFYSA-N 373.453 3.275 0 1 FGAF Cc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 22937878 PIFJXKYJXNZXRB-RBBKRZOGSA-N 354.469 3.321 0 1 FGAF CN(C)OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27328948 DINMYTIUBXYDEK-UHFFFAOYSA-N 367.840 3.265 0 1 FGAF CC[C@]12CCCN3C[C@H](OC)[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 2356449890 BPDKTQZPNORXPH-XGARDCMYSA-N 368.477 3.070 0 1 FGAF CC[C@H](C)C(=O)OC[C@@](O)(COC(=O)[C@H](C)CC)c1ccc(C)cc1O 2356653067 ZJCVZNYWABUXAX-QVDMIQRCSA-N 366.454 3.067 0 1 FGAF COC(=O)[C@@H]1c2cc(OC(C)=O)ccc2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12 2356699280 MECMOKMTXZAISQ-SGLNWRHMSA-N 374.433 3.119 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(CN3CCCC3)cc1)C2 28338254 NHKALDYCLFCPIU-OAQYLSRUSA-N 367.445 3.486 0 1 FGAF Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 49070700 WWEBJYNVUIMDCZ-GFCCVEGCSA-N 365.547 3.213 0 1 FGAF CC(=O)Nc1cccc(C(=O)C[C@H](/C=C/c2ccccc2)NC(C)=O)c1 72113546 ZIDOYQKOBDSGMG-SGWGQVFISA-N 350.418 3.436 0 1 FGAF CCc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@H]3c1cccc(O)c1 45337136 VPYMYXCPSJKVGR-QFIPXVFZSA-N 363.461 3.259 0 1 FGAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2ccc(O)cc21 40979876 KDHJXFSAMCTHGR-UHFFFAOYSA-N 358.353 3.197 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)co1 82070166 LXKFUTDHKYQLNU-SFHVURJKSA-N 369.465 3.417 0 1 FGAF COc1cc(C=O)c(OCc2cccnc2-c2ccnn2C(C)C)cn1 146089536 GAEJJNBICDATLS-UHFFFAOYSA-N 352.394 3.321 0 1 FGAF in-vitro CCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)ccn1 149883335 ZWIWJDJMCWUCMW-INIZCTEOSA-N 361.829 3.047 0 1 FGAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CCO[C@]425)CC[C@H]13 238764155 FXTSWBYVERYBPB-XGARDCMYSA-N 368.477 3.152 0 1 FGAF CC[C@H](C)Nc1ncc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 149970683 QVHZGOXUQJDNFC-GJZGRUSLSA-N 367.497 3.488 0 1 FGAF CC(C)N(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)C1CCC1 95667636 UTGBQGQARWQXTL-BHDDXSALSA-N 370.537 3.262 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@H]2CC[C@@H]34)C1 72108528 PSCHPNOCVHDNMF-RZOBYWFHSA-N 359.510 3.050 0 1 FGAF biogenic COc1cc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc(OC)c1O 299828880 XQEPZLHTJRKXCM-UHFFFAOYSA-N 374.389 3.155 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 586973980 SPUMWGHGWYIJKW-LBPRGKRZSA-N 361.858 3.069 0 1 FGAF CCc1ccccc1NC(=O)c1nc2cc(S(=O)(=O)CC)ccc2[nH]1 587240210 ATXYMECVVYHWAB-UHFFFAOYSA-N 357.435 3.171 0 1 FGAF COc1ccc(OC)c(-c2nc3cc(Br)ncc3[nH]2)c1OC 587793821 LKBXWPJCGQOLSO-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF C[C@@H]1C[C@@]2(CC(=O)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356985 LTODEWMPCSQKBY-PEECDGGASA-N 356.349 3.355 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586888997 ZHOWFZGJVVSZGF-CYBMUJFWSA-N 363.483 3.210 0 1 FGAF COC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587115972 HPZRMUYTKFTXIG-UHFFFAOYSA-N 373.294 3.374 0 1 FGAF O=C(O)c1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522999 GKHMISNJXRUOBY-OAQYLSRUSA-N 363.369 3.076 0 1 FGAF O=C([C@H]1CCCN(c2ncccn2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587874906 FGELUQQAJMQRQT-LBPRGKRZSA-N 365.368 3.142 0 1 FGAF COc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1OCC(=O)NC(C)C 587227165 ZZVAYMWBGCSNHJ-UHFFFAOYSA-N 374.828 3.190 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1Cl 587064349 AAYBDKMEESALQI-UHFFFAOYSA-N 355.181 3.445 0 1 FGAF CCOC(=O)Cc1[nH]c2cccc(F)c2c1N1C(=O)c2ccccc2C1=O 587636636 AJQXPALPUIXQLW-UHFFFAOYSA-N 366.348 3.213 0 1 FGAF Cc1cc2c(cc1F)[C@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2 962094739 UWSNFMDDGDINIA-QGZVFWFLSA-N 356.224 3.141 0 1 FGAF CC(=O)c1cccc2c1[C@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 13604617 KIMBEMGTTFRRCW-ROUUACIJSA-N 357.381 3.031 0 1 FGAF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2C 13778900 WBVZUODNCPVLSS-KLIQENQMSA-N 353.418 3.021 0 1 FGAF C[C@@H](CF)N1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835336 MSVUCHUHJRYEIG-FXAWDEMLSA-N 371.452 3.288 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 169723976 ODNRMADAEHKFII-RDJZCZTQSA-N 359.422 3.355 0 1 FGAF O=C1[C@H](F)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762630 CTLHGLZELHMPOK-CZUORRHYSA-N 362.351 3.004 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 13520267 PGZGPYMGHNIKHG-USOAJAOKSA-N 367.511 3.107 0 1 FGAF O=C(CCNC(=O)c1ccc(Br)o1)NCCC1=CCCCC1 3018001 GZKIONHZMAUTGS-UHFFFAOYSA-N 369.259 3.169 0 1 FGAF Cc1n[nH]c(NC(=O)CCCC(=O)c2ccccc2)c1Br 6920265 YPCRTTPHNXNNNU-UHFFFAOYSA-N 350.216 3.472 0 1 FGAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@@H]3C[C@@H]23)cc1 103201074 XVMITOBEQUYBIJ-BXUZGUMPSA-N 357.316 3.050 0 1 FGAF COc1cc(C(=O)[C@H](C)O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356340095 HGNCUGBLVCHIIJ-RMDKCXRXSA-N 356.374 3.225 0 1 FGAF CCCOC(=O)n1c2ccccc2c2oc(C(=O)N3CCOCC3)cc21 26388191 CUZRXCGSKWVORG-UHFFFAOYSA-N 356.378 3.255 0 1 FGAF NC(=O)c1cccc([S@](=O)[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363746 HQXYMUSPACPKSH-BVFWVQIHSA-N 368.502 3.089 0 1 FGAF C[C@@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 2356583714 FAFFALJLKNGYLA-JQQRZTAJSA-N 362.510 3.148 0 1 FGAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453877 JOYKNBJATCNRQR-GQIGUUNPSA-N 374.400 3.000 0 1 FGAF CN1CCO[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)C1 40861815 QCTLNONBTPJDIT-HNNXBMFYSA-N 354.269 3.285 0 1 FGAF CC(C)n1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205768 BOGZTFODTLXVFC-ZIAGYGMSSA-N 360.483 3.174 0 1 FGAF CCOC(=O)c1cc(COc2ccc(F)cc2C)nc(N2CCOCC2)c1 40893996 YYAUUBAJYKASQU-UHFFFAOYSA-N 374.412 3.121 0 1 FGAF CNc1nccc2cnc(Nc3ccc(-c4cnn(C)c4)cc3OC)nc12 224136655 AYFGOYMORCDDJI-UHFFFAOYSA-N 361.409 3.219 0 1 FGAF Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccccc3)C[C@@H]21 96066394 QSVRXNKUUGUVHE-QWFCFKBJSA-N 351.450 3.260 0 1 FGAF N[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c3[nH]c([C@@H]4C[C@H]5CC[C@H]4C5)nc23)C1 653670305 FLSNBMIFUBTWCA-ZHMBSYLPSA-N 368.481 3.172 0 1 FGAF FC(Br)(Br)c1nc2cc3c(cc2[nH]1)OCCO3 587087840 WFMRJNNNGICYMO-UHFFFAOYSA-N 365.984 3.204 0 1 FGAF COC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029076 GSWILXWWGBHKQQ-UHFFFAOYSA-N 366.402 3.447 0 1 FGAF [O-][n+]1ccccc1SCc1nc2c(Br)cnc(Cl)c2[nH]1 586970376 YPTZZVDOAKBMIC-UHFFFAOYSA-N 371.647 3.300 0 1 FGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cc(C)c2[nH]1 586929822 GNKLFJQYFVPMIB-UHFFFAOYSA-N 365.842 3.060 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(OC)c21 587478614 BCNYBUJZVYOVNF-HXUWFJFHSA-N 353.374 3.166 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](OC)O1 587832403 JRJURCAZAQVEED-QESLCECNSA-N 374.250 3.145 0 1 FGAF Nc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1F 587139251 DVVZPLFJPUKEQV-UHFFFAOYSA-N 350.357 3.011 0 1 FGAF C[C@@]1(c2cc3ccccn3c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227554 QDSXRZNHBGDARV-IRLDBZIGSA-N 357.413 3.350 0 1 FGAF Cc1cccc2c(=O)n(-c3ccc(I)cc3)cnc12 1857574822 LSGLCJQRXIESLH-UHFFFAOYSA-N 362.170 3.299 0 1 FGAF NC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1 14958646 LMKXIVHWGZZOBT-UHFFFAOYSA-N 358.463 3.011 0 1 FGAF C[C@H](c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21 116869130 JFZIAPFELLCWLF-GFCCVEGCSA-N 374.379 3.183 0 1 FGAF O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1cccc(F)c1 4106067 UIULHTJRJMIVNX-AREMUKBSSA-N 373.384 3.165 0 1 FGAF O=C(O)C[C@@H]1c2cc(Cl)ccc2C(=O)NN1c1ccc2snnc2c1 6094117 YKRGBMIQMLLNND-CYBMUJFWSA-N 374.809 3.026 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2nc3ccccc3s2)CC1 6385427 AJXBQEFFBCWFEQ-UHFFFAOYSA-N 367.478 3.086 0 1 FGAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCc1ccccc1F 101772485 SWOACJFBAQSYHV-UHFFFAOYSA-N 367.409 3.005 0 1 FGAF CCC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 27520283 FZZMUAFJQSVQOJ-OALUTQOASA-N 371.408 3.421 0 1 FGAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CNc1nccs1 103173800 GDKISWUHXHDCFJ-UHFFFAOYSA-N 364.430 3.008 0 1 FGAF C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2 102373846 RECFXVBFQRDZOD-HKUMRIAESA-N 351.830 3.143 0 1 FGAF O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12 84654073 MQJFWUUNKXRFOL-UHFFFAOYSA-N 373.298 3.014 0 1 FGAF in-vitro COc1ccc(CCc2nnc3n2N=C(c2ccccc2)CS3)cc1 45246081 PDLDUKKFDUENHA-UHFFFAOYSA-N 350.447 3.430 0 1 FGAF c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1 84670852 LOWWSZHAZVDMAY-UHFFFAOYSA-N 353.495 3.231 0 1 FGAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2nccn2c1 143430727 WBPJYDOVOKDDEU-UHFFFAOYSA-N 361.405 3.487 0 1 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253634583 GIZCUFCOBVPITN-RPHVIWAUSA-N 355.478 3.062 0 1 FGAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@@H](c2ccccc2)C1 299867110 PWVBYCDHPPBPPV-OAHLLOKOSA-N 363.373 3.031 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586920732 PWYBUQHCOYGDQC-UHFFFAOYSA-N 372.233 3.247 0 1 FGAF N[C@H](Cc1cscn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587030050 ZIHMDHNSNSZBSG-SSDOTTSWSA-N 359.199 3.303 0 1 FGAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O 587577830 PIDJIPTUJHWJII-RXVVDRJESA-N 363.369 3.420 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(C2CC2)N1 587758269 IGYHXUZFRNPGJJ-MGPLVRAMSA-N 365.250 3.019 0 1 FGAF NC(=O)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507093 AFDBEVXGXHSFOY-IBGZPJMESA-N 351.402 3.136 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)nc(N3CCCCC3)n1)O2 587401698 WOQPOXBPZBRVPI-GOSISDBHSA-N 352.438 3.372 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C1(C)C)O2 587391995 QAFIBDODNRPNFA-HXUWFJFHSA-N 374.437 3.227 0 1 FGAF COc1cc2c3c(c1)OC1(CC4(CN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587445786 YGVWJJFPAOGURQ-AWEZNQCLSA-N 371.433 3.212 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(Br)cc21 587370317 FDTLIROCNBAHHM-KRWDZBQOSA-N 373.206 3.153 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587738533 PCLWXTQSDQBSRG-WJWGPLDTSA-N 356.214 3.393 0 1 FGAF NC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029200 JOLBHOQEVUQWFA-UHFFFAOYSA-N 374.429 3.183 0 1 FGAF CC1=C[C@]2(NCCc3c(Cl)cc(Cl)cc32)[C@H](c2cc[nH]n2)C(=O)O1 963118666 GXFQRSLWEIAPGX-NVXWUHKLSA-N 364.232 3.302 0 1 FGAF COC(=O)c1cc2sccc2n1CC(=O)Cc1ccc(OC)cc1OC 5084678 JIIRYGQGLPYOQJ-UHFFFAOYSA-N 373.430 3.318 0 1 FGAF CN1CC[C@@]2([C@@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 13385667 UEOHDZULNTUKEK-UEQSERJNSA-N 374.532 3.085 0 1 FGAF endogenous,in-man CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2cc3ccccc3n2C)cn1 13517946 SDZCXBKHEBVJTI-PKNBQFBNSA-N 362.433 3.204 0 1 FGAF COc1cc(C(=O)c2ccccc2)ccc1NC(=O)[C@](C)(O)C(F)(F)F 13760214 MXUBZPYXEHWSPQ-KRWDZBQOSA-N 367.323 3.178 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2cn3c(C)cccc3n2)cc(-n2nc(C)nc2C)n1 209349738 NTQAXFGZRCPNDQ-HZPDHXFCSA-N 359.437 3.210 0 1 FGAF C[C@@H]1CCCC[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857572136 VGOLZBWHJJPAIH-IAQYHMDHSA-N 355.417 3.453 0 1 FGAF NC1=C(c2nn[nH]n2)[C@H](c2ccccc2F)c2c(ccc3ccccc23)O1 1857596874 GZVGHHFBNQTBFP-QGZVFWFLSA-N 359.364 3.344 0 1 FGAF COc1cc(Nc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC 1856547 RUOIAZMYQGLYND-UHFFFAOYSA-N 355.350 3.097 0 1 FGAF Cc1nc2sc([C@H](c3cccs3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 4121058 UNVUVWBTODINCS-CWSCBRNRSA-N 364.496 3.065 0 1 FGAF Cc1nn(C(=O)c2ccncc2)c2c1[C@H](c1ccccc1O)SC(=N)N2 6483974 WEFZPWLBUZACTA-HNNXBMFYSA-N 365.418 3.163 0 1 FGAF N[C@@](C(=O)O)(C1CC(C(=O)O)C1)C1c2ccccc2Sc2ccccc21 29041552 CGCILUGPSJODKY-IGFCCVMLSA-N 369.442 3.176 0 1 FGAF CC(=CCC[C@H](C)CCO)C(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@H]1C 2356664538 YRZCHFOUTWAZDC-WBUMTXOPSA-N 351.531 3.497 0 1 FGAF OC[C@@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1 139096841 FIFPJHZEOCRFPJ-INIZCTEOSA-N 363.421 3.369 0 1 FGAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25429905 PVDGJZFUBLOBON-ZBFHGGJFSA-N 360.523 3.205 0 1 FGAF biogenic COC(C)(C)[C@@H]1CCCCN1C(=O)[C@@H]1CNC[C@@]12CCCc1ccccc12 146558214 VZSJSTNSKJKXPA-SXWKCWPCSA-N 370.537 3.286 0 1 FGAF COc1cc(O)cc(C[C@H]2COC[C@H]2C(=O)c2ccc(OC)c(OC)c2)c1 238769405 KISYUAZBKVYACA-MAUKXSAKSA-N 372.417 3.106 0 1 FGAF C[C@@]1([C@H]2C[C@@H](c3ccoc3)OC2=O)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C 238764018 JJVFOXGGNFRVFV-BVBVUKCESA-N 358.390 3.083 0 1 FGAF Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(C)c4)no3)C2)cc1 95576705 SWXBGQYIGJODGL-UHFFFAOYSA-N 369.446 3.142 0 1 FGAF c1cncc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)c1 96168812 MERDBKDGDXJVLP-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cn2)N1 587774799 XVQLIOPKTJHFQT-JDNHERCYSA-N 351.219 3.487 0 1 FGAF CN1CCN(c2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)CC1 587036035 YYHALBYEAYRSMR-GOSISDBHSA-N 368.506 3.233 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586879714 MXMFARZFOBDYPM-NTMALXAHSA-N 350.374 3.433 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O 587096540 LFNZYWVGDVVBNT-ZSDSOXJFSA-N 370.408 3.067 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)c(C)n1C)CC2=O 587471800 VHIHWTWAORSWRG-SFHVURJKSA-N 357.406 3.485 0 1 FGAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1cccc2ccccc12 587258349 ICTWZFSRNVOZMX-HNNXBMFYSA-N 358.401 3.290 0 1 FGAF CCOC(=O)c1c(C)[nH]c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587437191 FPYLBXBYPDOLKY-BFUOFWGJSA-N 355.390 3.306 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587204222 WLUUPBBRTKTVEU-GFCCVEGCSA-N 374.784 3.054 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCC[C@H]1C2 587589681 PMIDIVYSURHWAA-DHUIEDIVSA-N 351.402 3.351 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(=N)[nH]c2)N1 587742565 ASJIYEBXBKPCBG-JDNHERCYSA-N 350.235 3.193 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cncc(C)c2[nH]1)C(F)(F)F 587091542 FQKKTLOCIOOOIE-INIZCTEOSA-N 350.344 3.430 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@]3(c1c[nH]c(C(=O)O)c1)C(C)C 963030821 FLKDVVXOSZJUIO-NRFANRHFSA-N 365.433 3.315 0 1 FGAF CC1=C[C@@]2(C(=O)CN1C)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962639542 LLCIQGSPNRUKCM-URXFXBBRSA-N 373.500 3.047 0 1 FGAF O=C(c1ccc[nH]1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745276 YOSVVZKSJAEEIR-UHFFFAOYSA-N 372.388 3.288 0 1 FGAF CCCCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(C)c1 169317347 IZVYCEMSRGSOSM-INIZCTEOSA-N 351.491 3.044 0 1 FGAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(-c3ccco3)[nH]2)cc1 169317575 PJJONAWJSHFNDB-OAHLLOKOSA-N 355.438 3.465 0 1 FGAF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)O)sc(C)c1C 169689757 CTESPVHSEOQRTH-HBJVGIJOSA-N 363.435 3.003 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc([C@H](C)O)c12 209357200 OTCJCIXFMXVGIP-ZJUUUORDSA-N 373.388 3.042 0 1 FGAF Cc1cc(NN)n2nc(SCc3ccccc3C(F)(F)F)nc2n1 1857591556 AULVFLGAYJSLCB-UHFFFAOYSA-N 354.361 3.029 0 1 FGAF O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCC13CC4CC(CC(C4)C1)C3)C21CC1 4142280 ZMKZREDEILLOIJ-PLUAQAAASA-N 355.478 3.232 0 1 FGAF CCOC(=O)C1(C(=O)OCC)[C@H]2CCC[C@H]3ON=C([C@@H]23)[C@@H]1c1ccccc1 6040356 ATHDZOJILXEWAN-YVSFHVDLSA-N 371.433 3.068 0 1 FGAF COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1 58575279 WVRMWLSHNACHMK-UHFFFAOYSA-N 355.394 3.028 0 1 FGAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356753523 GMANNNGILPFSTB-AQNXPRMDSA-N 361.530 3.479 0 1 FGAF Oc1cc(O)c2c(c1)CC1c3c(O)cc(O)cc3C2c2cc(O)cc(O)c21 2356784308 OACBQNTWDQIXGK-UHFFFAOYSA-N 364.353 3.102 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45CCCN4CC[C@]12[C@H]3CC5 2356785028 RCUHTDKXOOGICH-MJUUVYJYSA-N 354.450 3.310 0 1 FGAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)C[C@@H]12 74377512 BKHQPSUGKWGDDU-AEFFLSMTSA-N 366.465 3.130 0 3 FGAF Fc1ccc(-c2[nH]ncc2CNCc2ccccc2-n2cncn2)c(F)c1 71928219 SRHNPZHBPQSYAV-UHFFFAOYSA-N 366.375 3.225 0 1 FGAF COc1cc2c(cc1O)C=[N+](Cc1cccc(OC(F)(F)F)c1)CC2 36376487 QTFBFJYSXVTDSS-UHFFFAOYSA-O 352.332 3.487 0 1 FGAF CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1 39096917 WWKRAFMFFKHIMZ-UHFFFAOYSA-N 373.409 3.040 0 1 FGAF Cc1cc(C(=O)N2CCN(C)CC2)ccc1[C@@H](CO)c1cccc(Cl)c1 40934828 WYOFDRJSNCFHDU-FQEVSTJZSA-N 372.896 3.160 0 1 FGAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CN)CC3=O 45283667 HDGSIJRYKZMEHD-GFCCVEGCSA-N 369.417 3.222 0 1 FGAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCC3)n2)cc1 43062555 YYVXKMPRWKMQAC-UHFFFAOYSA-N 372.368 3.497 0 1 FGAF COc1cc2ncnc(NCCc3ccccc3F)c2c(OC)c1OC 96916394 BJSUOEVNYJNWNP-UHFFFAOYSA-N 357.385 3.449 0 1 FGAF Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NCC2CC2)cn1 143260711 NSLSJULTKOQOFP-UHFFFAOYSA-N 364.405 3.159 0 1 FGAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](F)[C@H]2F)c(O)nc1=S 253708566 VGHNMFKDHUBHJR-IXYNUQLISA-N 368.405 3.417 0 1 FGAF COc1cc(C(=O)c2ccn(-c3cccc(N)c3)c2)cc(OC)c1OC 299829300 RLKGRFCJEXIHGX-UHFFFAOYSA-N 352.390 3.316 0 1 FGAF COc1cccc(C(=O)Nc2ccc(NC(=O)c3csnn3)cc2)c1 653818552 FZFLNEAUZLKPTK-UHFFFAOYSA-N 354.391 3.051 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 587400450 POYXSKGDAJYDOL-UHFFFAOYSA-N 358.438 3.312 0 1 FGAF CC[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343549 COCJQRUBFDSAEQ-YIILKADPSA-N 369.392 3.175 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccco2)(C(=O)O)N1 587831857 YNHKEVKNMMIKJK-JDNHERCYSA-N 368.202 3.238 0 1 FGAF CC(C)[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582375 PAEDLVUHCHQTIN-YLJYHZDGSA-N 365.389 3.040 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](N)Cc1ccc(O)cc1 587871434 HFLDXXUAPRXHEX-KRWDZBQOSA-N 369.396 3.004 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587789555 DVEXBAQZHGOAPG-ANRSDYALSA-N 367.218 3.327 0 1 FGAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3c(C(=O)O)cccc23)c2ccccc21 587639328 RTBJVVUEYWVMNM-NRFANRHFSA-N 364.401 3.167 0 1 FGAF COC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 587004957 GFEMFEVQKJYHCQ-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586937473 PXBMAHRPAZSPKU-JTQLQIEISA-N 364.858 3.355 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033460 VQEDIPCRDYDLDQ-UHFFFAOYSA-N 355.448 3.355 0 1 FGAF COc1cncc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587077292 UXNHQUAUYLNERL-UHFFFAOYSA-N 355.785 3.455 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3ccccc3CC(=O)OC)[nH]c2c1 587782951 AYKASGIKRGHLDW-UHFFFAOYSA-N 352.390 3.051 0 1 FGAF Cc1ccnc2c1CCN[C@]21c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 963067746 AIYPQAZKFUIBRO-OFNKIYASSA-N 374.440 3.367 0 1 FGAF Cc1cc(-c2cc(C(=O)NC3CCCC3)on2)nc(NC2CCCC2)n1 13657598 ZMZXVDCGRSVZPH-UHFFFAOYSA-N 355.442 3.467 0 3 FGAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CC(C)C)c1 169706952 VSZDSDYRPCAIKD-KRWDZBQOSA-N 368.481 3.233 0 1 FGAF Cc1cccc(N=c2cc(Br)nc(SCC(=O)O)[nH]2)c1C 1857559462 OBSVFENGTCLUJY-UHFFFAOYSA-N 368.256 3.198 0 1 FGAF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1)c1ccncc1 1377950 VYLJBXFOXKRHKK-OALUTQOASA-N 364.449 3.429 0 1 FGAF CCc1ccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1 3895610 FRSOEQHLKWVZEF-UHFFFAOYSA-N 366.417 3.370 0 1 FGAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2N)cn1 103252886 ISTPBQREIUMURI-UHFFFAOYSA-N 354.431 3.410 0 1 FGAF O=c1c2cnn(-c3ccccc3)c2nc2sc(CNc3ccccc3)nn12 103219958 MCNCILUOUOCBPC-UHFFFAOYSA-N 374.429 3.102 0 1 FGAF CC(C)Cc1sc(-c2cccnc2)nc1-c1ccc(P(=O)(O)O)o1 66112022 QDKUWGCAHDZIIA-UHFFFAOYSA-N 364.363 3.467 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61928056 GDZQKSFPBQOQSL-KRWDZBQOSA-N 372.387 3.354 0 3 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1c(OC)cccc1OC)[C@H](OC)C2=O 2356551172 SYLLBZVMSOPMCI-VQTJNVASSA-N 374.389 3.052 0 1 FGAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCC(C)C)ncnc21 82177991 HVLOTIDFZDKZTA-UHFFFAOYSA-N 358.490 3.078 0 1 FGAF CCOc1cc2c[n+]3c(cc2cc1OC)-c1cc2c(cc1CC3)OCO2 40402312 OAHYHFQHKNQGKA-UHFFFAOYSA-N 350.394 3.486 0 1 FGAF O=C(c1cccc(Br)c1)N1C[C@@H]2CC[C@H](C1)C2N1CCCC1 96284389 YMTXFWXRZYKGBA-FKEKPDDDSA-N 363.299 3.396 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 253634695 UGPOMYIOAGJKAA-UPAJOGMSSA-N 355.478 3.206 0 1 FGAF COc1c([C@@H]2CO[C@@H]3C=C(O)C=C(O)[C@H]3C2=O)ccc(O)c1CC=C(C)C 263614305 GBQGFJSECZVLKZ-KFKAGJAMSA-N 372.417 3.475 0 1 FGAF in-vitro O=C(O)CSc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 653724719 BFBCPWMMMDWBLA-UHFFFAOYSA-N 360.873 3.177 0 1 FGAF COC(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1OC 586905732 ABEZLZMIIQQMKL-ZROIWOOFSA-N 350.330 3.027 0 1 FGAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586887603 INKZCOVYWBKWLD-HRAATJIYSA-N 364.493 3.460 0 1 FGAF Clc1ccc2c(c1)C[C@H](c1nc3nc(Br)c[nH]c-3n1)O2 587081103 SDHXRHVJBPMZKI-SECBINFHSA-N 351.591 3.397 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)(C2CC2)N1 587832329 JMFXNGUMDMUOBA-DYZYQPBXSA-N 370.262 3.491 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 586908381 ACHDWUISECVNFF-MRXNPFEDSA-N 368.389 3.100 0 1 FGAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586887606 INKZCOVYWBKWLD-KKSFZXQISA-N 364.493 3.460 0 1 FGAF O=C(O)c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1F 587156190 YPANUCMYZFMBRW-UHFFFAOYSA-N 354.110 3.364 0 1 FGAF Cc1nccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772296 FIYGKSUHLVTSNE-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF Cc1nc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2cc1Br 587150195 LCLCUFKLCWBKFJ-LBPRGKRZSA-N 353.170 3.355 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOC3=O)cc1)O2 587398049 DQFLHBWFWUTVTB-FQEVSTJZSA-N 352.390 3.414 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)O)c2)N1 587791321 LKXADYVHDIXUGL-VPTHRUTESA-N 367.218 3.412 0 1 FGAF O=C(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1cccc(F)c1 587163999 WYMRQVBRVVIGKE-UHFFFAOYSA-N 353.279 3.034 0 1 FGAF CCOC(=O)CC[C@]1(c2ccc(C)cc2)NCCc2nc3ccccn3c21 962986657 JPCIWLSKOIVFEH-JOCHJYFZSA-N 363.461 3.375 0 1 FGAF CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccccc2)C1 13442762 IGERHZSPLBKLTQ-UHFFFAOYSA-N 370.474 3.478 0 1 FGAF N=C(NCCCNC(=N)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 169323815 FNZNSFTUFHZQSV-UHFFFAOYSA-N 362.903 3.251 0 1 FGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(Cl)cc3)C(=O)C[C@H]12 206390217 CCDQTGULSJHSPB-HNNXBMFYSA-N 368.820 3.254 0 3 FGAF COC(=O)N[C@H](C(C(=O)OC)=C(C)NCc1ccccc1)c1ccccc1 1857622815 HSRIITUXGBDJPO-IBGZPJMESA-N 368.433 3.321 0 1 FGAF COc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)cc1 1857764796 CYUITNBOFVPMOH-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF CC(C)CN1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2 3955743 LYYHQBGQPYGKTC-UHFFFAOYSA-N 350.528 3.209 0 1 FGAF CCc1nn([C@H](CC)C(=O)NC2CCCC2)c(=O)c2cc3oc(C)cc3n12 6821522 WCWMNXIAJQMFOU-CQSZACIVSA-N 370.453 3.123 0 1 FGAF O=C(O)c1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117621982 VYOVVIHUSBRLIU-KXBFYZLASA-N 361.401 3.206 0 1 FGAF CCOc1ccc(Cl)c(OCC)c1C(=O)NC[C@@H]1CCCN1CC 28261701 YDMAUYZXZHCTMK-ZDUSSCGKSA-N 354.878 3.352 0 1 FGAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1 117721335 TYKADUHZARVWIN-AWEZNQCLSA-N 352.221 3.302 0 1 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc2cn[nH]c12 117585686 RHXYBEDGXNWTOZ-UHFFFAOYSA-N 365.437 3.074 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](O)[C@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356673222 JVMIMRFLGUGLOG-HURACAFHSA-N 362.466 3.184 0 1 FGAF COc1cc(CO[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)cc(OC)c1 36381858 DQYCNHBELXAHGU-PCCBWWKXSA-N 356.418 3.278 0 1 FGAF O=C1[C@@H]2C=C(I)[C@H](C[C@H]2c2ccccc2)[C@]12CO2 195361445 UOJNGNCLTBEZAO-OZTPJHRESA-N 352.171 3.077 0 1 FGAF CCOC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H](C)[C@@]24[C@@H]1c1[cH-]cnc1C[C@@]34C 85548982 PRXGVUQRJFKMRG-YOGBGYLRSA-N 370.469 3.045 0 1 FGAF biogenic,in-vitro C[C@H]1SC(N)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@@H]12 146158827 UVLZAXVMVHTAGW-XMEITWMYSA-N 365.405 3.376 0 1 FGAF Fc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1F 96271736 RRCPWGPIIDSJTM-UHFFFAOYSA-N 359.361 3.433 0 1 FGAF Cc1ccc(C(=O)NC2(C)COC2)c(F)c1-c1ccc2cc(N)ncc2c1 144335359 DVDIKHWFXLNNMN-UHFFFAOYSA-N 365.408 3.450 0 1 FGAF NC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CS1 96929120 PXQWSONWLAAKGA-DIFFPNOSSA-N 358.854 3.264 0 1 FGAF Oc1cccc(CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586895923 DJEIHSWVPJFWOK-UHFFFAOYSA-N 361.405 3.113 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCc4c(OC)ccc(OC)c41)[C@@H](C2)C3=O 587442702 NFIQBQUCCRWBLB-QKKBWIMNSA-N 352.386 3.302 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586917673 UMPVAACZJNCZQK-VLIAUNLRSA-N 350.374 3.478 0 1 FGAF COCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587772220 DYPISGPJURZEKZ-JDNHERCYSA-N 366.234 3.148 0 1 FGAF Cn1cnc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587580325 XBSUNXOGPKJJOE-YLJYHZDGSA-N 373.368 3.377 0 1 FGAF C[C@@]1(c2ccc(-c3nn[nH]n3)s2)c2c(F)cccc2C[C@@H]2CCCN21 963114134 RWWYTXQMQIJCEI-KPZWWZAWSA-N 355.442 3.351 0 1 FGAF NC[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962906242 XLHMLYUVFXEZJB-MNNBHYOVSA-N 368.452 3.163 0 1 FGAF COc1ccc2c(c1)[C@@]1(CC3(CCN(C)CC3)O[C@H]1C)N(C(C)C)CC2 962088421 HLEHJMUFBWJTLS-JTSKRJEESA-N 358.526 3.430 0 1 FGAF Cc1cc2c(cc1O)[C@@](C)(c1ncc(-c3ccccc3)o1)N[C@H](C(=O)O)C2 963508714 LYETZOQOGOWJMN-KKSFZXQISA-N 364.401 3.218 0 1 FGAF CC(C)N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1 1772646896 JQVTULFDKBHKEJ-UHFFFAOYSA-N 359.514 3.146 0 1 FGAF CCN(CC)CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1 5499357 CJPWNBNMOISVOL-QFIPXVFZSA-N 362.477 3.379 0 1 FGAF COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 13593618 QCWXVUJAXFOVIY-AWEZNQCLSA-N 374.412 3.103 0 3 FGAF CC(C)Cc1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1 15953319 NIAPOCSZAVCPJE-DHZHZOJOSA-N 351.435 3.188 0 3 FGAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cccs2)cc1 205373967 UCPMHPFRBHMETR-INIZCTEOSA-N 358.419 3.128 0 1 FGAF Cn1cc(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857559974 UYMMSPWMWQCYDE-UHFFFAOYSA-N 360.479 3.448 0 1 FGAF CCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1 1857590346 BKBSSLPEYSUWFK-UHFFFAOYSA-N 374.444 3.080 0 1 FGAF CCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216402 LBNXYRXOAIVQOR-HIFRSBDPSA-N 368.865 3.385 0 1 FGAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(=O)OC)c1O 27978064 ZECUFWGDQRIMFZ-UHFFFAOYSA-N 374.389 3.417 0 1 FGAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2N1CCN(CCO)CC1 22940749 BZBHGCBFWKSYCV-RBBKRZOGSA-N 354.469 3.321 0 1 FGAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)NC2(C)C)c2ncccc2c1 29128501 KJTHKMJERXZIQY-GJZGRUSLSA-N 370.497 3.380 0 1 FGAF CCCOc1ccc([C@H]2C(=O)NC(=O)N2c2ccc3nc[nH]c3c2)cc1 68200376 GTFPAKYEYXNXOT-KRWDZBQOSA-N 350.378 3.149 0 1 FGAF O=C1COc2ccc(C3=Nn4ccnc4S[C@@H]3c3ccccc3)cc2N1 82149487 LPNILISJTWTRLC-GOSISDBHSA-N 362.414 3.313 0 1 FGAF c1cc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)ccn1 96176071 WKVXZGIQPFWXKJ-UHFFFAOYSA-N 372.428 3.447 0 1 FGAF CC(C)CNc1nc(NS(=O)(=O)c2ccccc2)c2ccccc2n1 95872191 HIOGTOHBOZCYSX-UHFFFAOYSA-N 356.451 3.499 0 1 FGAF CC[C@@H]1CC=CCc2ccccc2[C@@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 299816976 GQHJEOPNYJIXRG-SYNHAJSKSA-N 358.434 3.099 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(N)=O)cc1)CC2=O 587468290 DRMGMTFYZHFDHR-HXPMCKFVSA-N 369.417 3.304 0 1 FGAF Nc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1N 587167266 KDWNIOUOBVYUNX-INIZCTEOSA-N 354.389 3.235 0 1 FGAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(O)ncnc3[nH]2)c1 587198009 DDDCQNXUVXIJEY-UHFFFAOYSA-N 355.398 3.405 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(N)=O)cc1)CC2=O 587468287 DRMGMTFYZHFDHR-BLVKFPJESA-N 369.417 3.304 0 1 FGAF CC[C@]1(Cn2cncn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762671 ZEUSFVKSHNFBAU-ZUZCIYMTSA-N 353.239 3.019 0 1 FGAF C[C@]1([C@@H]2CCCNC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352285 WJVKDIFZLHZQBC-HGHGUNKESA-N 369.392 3.175 0 1 FGAF N=C(N)c1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587061694 XRKUEBAIADNKSC-UHFFFAOYSA-N 363.812 3.037 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587252238 UFZXQCVRRHEMGD-UHFFFAOYSA-N 366.446 3.216 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157988 SHKAEKXZUKZJRF-LBPRGKRZSA-N 350.151 3.250 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CC(=O)O)N1 587756220 RMLZXEZNWFBGPU-XXFAHNHDSA-N 367.218 3.098 0 1 FGAF O=Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962648333 ZMIZJTXTDQACRE-JSGCOSHPSA-N 371.336 3.148 0 1 FGAF Cc1scnc1[C@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628976 GKLHUOXIWODWHQ-AAEUAGOBSA-N 358.341 3.038 0 1 FGAF COC(=O)c1ccc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1 963059840 VFLKZIDMMLIOKF-QFIPXVFZSA-N 362.429 3.439 0 1 FGAF F[C@@H]1COCC[C@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961768 WBVVBKFHOFFPGM-PBHICJAKSA-N 359.363 3.311 0 1 FGAF NC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12 169201797 KZOSOTXLAKRUGU-ZDUSSCGKSA-N 353.447 3.193 0 1 FGAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1 206693381 MXZPEPMKUIRVTC-UHFFFAOYSA-N 356.426 3.104 0 1 FGAF C[C@H](CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1c(F)cccc1F 1857568331 WXPSCWGHLSBRSO-LLVKDONJSA-N 359.376 3.288 0 1 FGAF C[C@@H](CC(=O)NCc1ccc2ncc(=O)[nH]c2c1)c1c(F)cccc1F 1857589071 IUKNRTSVFMUPRH-NSHDSACASA-N 357.360 3.011 0 1 FGAF N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1 1487596 URSRZNMIPYZUNU-UHFFFAOYSA-N 374.488 3.407 0 1 FGAF Brc1cccc([C@@H]2C=C(c3cccnc3)Nc3ncnn32)c1 104119227 CYJOBLMFDFJRIK-HNNXBMFYSA-N 354.211 3.492 0 1 FGAF CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 103242309 UWGBZSHVFYGVFE-UHFFFAOYSA-N 351.450 3.187 0 1 FGAF N[C@]12CC(C(F)(F)F)=C[C@H](Cc3[nH]c(=O)ccc31)/C2=C\C(F)(F)F 29569175 BQYXYZYJEUBVBN-ISFOYCCKSA-N 350.262 3.082 0 1 FGAF COc1ccc([C@H]2CC[C@H](OCCCn3c(C)nnc3C)O2)cc1OC 29316809 MIYGHOXHROYWHR-VQIMIIECSA-N 361.442 3.197 0 1 FGAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(Cl)cc1 29555836 AVYUGEMVPXCJET-UHFFFAOYSA-N 364.188 3.328 0 1 FGAF O=C(NCCF)c1cc(Nc2ccnc(-c3cccnc3)n2)ccc1F 221586415 OASAZGAUEWGAOQ-UHFFFAOYSA-N 355.348 3.121 0 1 FGAF COC(=O)c1ccc2c(ccn2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 40420788 MRPSZFOOVPYQFF-UHFFFAOYSA-N 369.373 3.142 0 1 FGAF C[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 83923611 PQDLJCPCZJBEBP-IFCQLEMFSA-N 368.470 3.011 0 1 FGAF in-vitro CCN(CC)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066956 WFJSQXOWRMHRAP-MRXNPFEDSA-N 373.457 3.110 0 1 FGAF CCOC(=O)c1cnc(NC2CCCCC2)n2nc(-c3ccco3)nc12 299832545 JHULGSFPNSGSIM-UHFFFAOYSA-N 355.398 3.306 0 1 FGAF O=c1cc(CO)oc([C@@H]2C=C(c3cccc(O)c3)Oc3ccccc32)c1O 299862845 KCOPJSYRZWBMBY-MRXNPFEDSA-N 364.353 3.109 0 1 FGAF Clc1ccc(CC2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)cc1 587073324 GAZUCMCDIDQHNX-UHFFFAOYSA-N 350.813 3.466 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938553 XDYJMAUVNYGWHS-SGTLLEGYSA-N 374.462 3.202 0 1 FGAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530659 GJFYZVJUGZGVEZ-HXUWFJFHSA-N 371.458 3.093 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587234005 YYSLZCAHGVNQSP-QWRGUYRKSA-N 372.425 3.055 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760994 RXKIEPIOQIVXNW-QLJPJBMISA-N 367.266 3.151 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccncc1)CC2=O 587490044 OGIROGBYLJEZFA-HXUWFJFHSA-N 355.390 3.164 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1sc(NC(C)=O)nc1C)[C@@H](C2)C3=O 587453708 YRKXBEGVOPJLIO-KPZWWZAWSA-N 358.419 3.081 0 1 FGAF COc1ccc(C[C@@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1OC 587925650 FVOJBAPYTFPSPA-GFCCVEGCSA-N 374.462 3.330 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/S(C)(=O)=O)[nH]c3c2)cc1 586925391 HRGGHNOLWOERPN-MDZDMXLPSA-N 372.402 3.157 0 1 FGAF Cc1c(-c2nc3c(Cl)ncnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073647 KPHRXQMHGZMFIR-UHFFFAOYSA-N 360.208 3.275 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(O[C@@H](C)C(=O)O)c1)O2 587400799 OVIOITGNQAMEEA-YUNKPMOVSA-N 355.390 3.310 0 1 FGAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084701 RNYJCTKXNSNVDU-UHFFFAOYSA-N 371.249 3.182 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962940246 ACPAFVZLVBYTSY-OGMTXWBYSA-N 368.477 3.466 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@]21C(=O)Nc2cc(Cl)cc(Cl)c21 963133719 SBCGGYYQNSEXGW-KRWDZBQOSA-N 363.200 3.033 0 1 FGAF CC(=O)Nc1ccc(OCc2nnc(S)n2Cc2ccccc2)cc1 1772641182 ATGXLEOVKVJQDW-UHFFFAOYSA-N 354.435 3.153 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)NC(=O)[C@@]4(C)CC[C@@H]32)C1 5711842 FOXNKNXXDGRBFV-FMZZOXHWSA-N 359.466 3.134 0 1 FGAF c1ccc2c(c1)CC[C@@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743665 DGDISGPTQDNJPR-GOSISDBHSA-N 350.462 3.310 0 1 FGAF COc1ccccc1C(=O)Nc1ccc2c(c1)CN(Cc1ccon1)CC2 19641945 GBOZBKDKIYOMDT-UHFFFAOYSA-N 363.417 3.494 0 1 FGAF CC(=O)Nc1ccc2nc(O)n(-c3ccc(C(C)(C)C)cc3)c(=O)c2c1 1857554402 FKWPXUQFMPSLGH-UHFFFAOYSA-N 351.406 3.347 0 1 FGAF O[C@](Cn1cncn1)(Cn1ccc2ccccc21)c1ccc(F)cc1F 1857652773 ZCXOHOAPIDEYCC-IBGZPJMESA-N 354.360 3.099 0 1 FGAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnn(C)c1 103249853 SGIYFANHICEODJ-UHFFFAOYSA-N 365.418 3.403 0 1 FGAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2 100911834 XSCLLXQHZKNMDH-IXYNUQLISA-N 369.246 3.494 0 1 FGAF COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1 117428413 ONKIUNVOKOYXEB-UHFFFAOYSA-N 360.421 3.268 0 1 FGAF CCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 28764526 GIZCUFCOBVPITN-XLVYAEMGSA-N 355.478 3.062 0 1 FGAF CC(C)CCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 26379392 FXDQYOUVTVOTJN-NRFANRHFSA-N 363.461 3.379 0 1 FGAF C[C@@H](S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C(F)(F)F 39179199 JIHXANNEMYCNKT-YFKPBYRVSA-N 371.185 3.048 0 1 FGAF Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(-c3ccc(C(=N)N)cc3)ccc21 71280906 POPVZFPRXSYKAZ-UHFFFAOYSA-N 368.444 3.475 0 1 FGAF C[C@@H](CO)NC(=O)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1 40934406 IUVOJBNHXGJEII-JTQLQIEISA-N 355.221 3.078 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Oc1ccc(F)cc1Cl 40863012 FDEJSJRQNJWXCW-CQSZACIVSA-N 362.806 3.230 0 1 FGAF CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)C1CCC1 95895142 VDURDNUHUZLXDC-FSSWDIPSSA-N 364.489 3.028 0 1 FGAF CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1 84596759 QZHVNXNQIQXHJI-XITMGRHOSA-N 368.514 3.082 0 1 FGAF biogenic CNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1 653726168 PQDUOWQLUAYZQB-UHFFFAOYSA-N 374.510 3.346 0 1 FGAF O=C(O)C[C@@H]1COc2cc(OCc3nnc(-c4ccccc4)o3)ccc21 653737642 NSKNYZRPMLHCIY-CYBMUJFWSA-N 352.346 3.266 0 1 FGAF N=c1[nH]ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586958098 CMYBVYCIDLZEMP-SANMLTNESA-N 362.458 3.409 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](C(C)=O)C(=O)OCC)CC2=O 587478815 HGRDVCDFCKXNNS-QRWLVFNGSA-N 362.422 3.227 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 587968998 KLESVFSDYFFNHC-WIYZNGBFSA-N 358.463 3.003 0 1 FGAF COc1cc(C)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868891 WOURZVBFDSBYJZ-UHFFFAOYSA-N 365.315 3.069 0 1 FGAF Cc1c(-c2nc3ccc(C(=N)N)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073095 BBFUBUMWDYWNHP-UHFFFAOYSA-N 365.828 3.116 0 1 FGAF CC(C)([C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1)S(C)(=O)=O 962714882 UCHMTQUDLGMIHQ-BLLLJJGKSA-N 357.516 3.054 0 1 FGAF O=c1cc(-c2ccccc2)oc2c(OCCN3CCCC3)c(O)cc(O)c12 1772651284 ZQIKLSVRBYTMKE-UHFFFAOYSA-N 367.401 3.346 0 1 FGAF CC(=O)N1CCC(Cn2cnc3scc(C4CCCC4)c3c2=O)CC1 1772612718 RVVNQLSZGRBWKP-UHFFFAOYSA-N 359.495 3.374 0 1 FGAF COc1ccccc1COC(=O)c1cnn2c1nnc1ccc(Cl)cc12 13492636 OJLYUGSSUKAWJC-UHFFFAOYSA-N 368.780 3.297 0 1 FGAF CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc21 13679903 FPMBLCHVDGURBC-UHFFFAOYSA-N 359.455 3.377 0 1 FGAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1F)C(F)(F)F 13760201 WZVSLCFSIIEONB-INIZCTEOSA-N 355.287 3.309 0 1 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169302243 GIZCUFCOBVPITN-IYTCPKSSSA-N 355.478 3.062 0 1 FGAF CNc1nc(Nc2cn([C@H]3CCOC[C@H]3F)nc2C)ncc1C(F)(F)F 205722101 ZXYDHJYTRNQTED-PWSUYJOCSA-N 374.342 3.085 0 1 FGAF Cc1cccc(NC(=O)CCn2c(CCC(=O)O)nc3ccccc32)c1 1857575582 FNESXDGXWWRKPL-UHFFFAOYSA-N 351.406 3.391 0 1 FGAF O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc2ccccc2[nH]1 1857643426 WCEOZFAEFOWZSY-UHFFFAOYSA-N 365.418 3.268 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@@H]1C=CC[C@H]2c3ccccc3COC[C@H]21 1659211 HLVBAEFCAASWFV-RCCFBDPRSA-N 358.434 3.235 0 1 FGAF CN(C)CCNC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 21161874 FOPSAWZXCPKXBQ-UHFFFAOYSA-N 372.469 3.090 0 1 FGAF CCn1c2c(c3cc(OC)c(OC)cc3c1=O)Cc1cc3c(cc1-2)OCO3 27188065 BFACEJSVHKMCKX-UHFFFAOYSA-N 365.385 3.339 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]1c1cccc2nonc12 100370931 JQAWPABXYQAHHT-ORMOWBNMSA-N 371.393 3.423 0 1 FGAF COc1ccc(/C=C/COC(=O)/C=C/c2ccc(OC)c(O)c2)cc1O 59588545 HMJONXQFQDDNCT-YZQQHVNFSA-N 356.374 3.385 0 1 FGAF biogenic,in-vitro CCC(=O)N[C@H](c1nc(-c2nc(C(=O)OC)c(C)o2)cs1)C(C)C 28529742 SBZHATCYODWUTP-LBPRGKRZSA-N 351.428 3.116 0 1 FGAF CCCCN1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 26377130 OXMYLRVQOIOYER-MRXNPFEDSA-N 372.465 3.009 0 1 FGAF NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nc1Nc1cccc(Cl)c1 34033654 MMFBBQQGBVPLQQ-HUUCEWRRSA-N 359.861 3.259 0 1 FGAF CCOC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210742588 FYDLNXIVGMRDEC-LLVKDONJSA-N 368.397 3.409 0 1 FGAF COCON1C(=O)/C(=C/C(C)C)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O 84705593 ULXWSQJJATYSPE-LOHYDARVSA-N 374.481 3.348 0 1 FGAF COc1cccc(CCc2ccccc2OCCN2CCN(C)CC2)c1 45496475 QNUFXAULMIMQGB-UHFFFAOYSA-N 354.494 3.107 0 1 FGAF in-vitro NC(=O)c1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1 40936515 LUTXYWRBEPWQEA-UHFFFAOYSA-N 365.176 3.116 0 1 FGAF CC(C)CNC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccc(F)cc1 95871844 GJBQWSFMGJQHAC-YPAWHYETSA-N 356.485 3.400 0 1 FGAF COC(=O)/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)S(C)(=O)=O 140044062 OTUWOKNFQNEEBU-SFQUDFHCSA-N 355.415 3.393 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccncc3)n12 148107860 NBQBTTUBEDGJLW-UHFFFAOYSA-N 367.412 3.349 0 1 FGAF COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c(OC)c1 95592262 IEBMZSUHFMKXJW-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869325 BKKXQWRMVVQGOO-NHCUHLMSSA-N 368.521 3.018 0 1 FGAF C[C@H](c1nc2cc(I)cnc2[nH]1)n1cc(Cl)cn1 587078896 CQQVBLXLWVEIEW-ZCFIWIBFSA-N 373.585 3.022 0 1 FGAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cnncc2[nH]1 587092721 ZJWJMKDZYSVIKR-UHFFFAOYSA-N 363.221 3.375 0 1 FGAF COC(=O)c1coc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615855 HTJBWCCAIXLYEZ-LPHOPBHVSA-N 366.325 3.475 0 1 FGAF O=C(c1cncn1-c1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651479 KKKAYIXWVDBMJT-UHFFFAOYSA-N 368.755 3.063 0 1 FGAF COc1cccc([C@@]2(CCCC(=O)O)NCCc3ccc(O)cc32)c1OC 963328810 JIGBEORYBSUFAV-OAQYLSRUSA-N 371.433 3.054 0 1 FGAF Cc1[nH]c2ccccc2c1CN(C)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2 603070 HKZWTBJHJWWSPV-JXMROGBWSA-N 374.444 3.428 0 1 FGAF COc1ccc(F)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772619337 NLKGJGMAZCWMDD-OAHLLOKOSA-N 357.341 3.194 0 1 FGAF Cc1cc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3Cl)o2)no1 12074732 LQDLEYGLMORIOI-LLVKDONJSA-N 360.801 3.496 0 3 FGAF O=C(NC1CCC1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167683161 LOWJUWIPVBPXKY-UHFFFAOYSA-N 358.405 3.297 0 1 FGAF Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nn[nH]n1 1857635981 UPMUXMPTGISNQG-UHFFFAOYSA-N 358.199 3.190 0 1 FGAF O=C1CC[C@@H]2C[C@@H]2N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857647546 JAHXCBDOLRBKOD-RAJNIJHNSA-N 370.399 3.445 0 1 FGAF C[C@H]1CN(c2ccc3nc(-c4ccccc4)c(-c4ccncc4)n3n2)CCN1 140025600 FITMIUQFSHIELS-INIZCTEOSA-N 370.460 3.256 0 1 FGAF CCc1c(Cc2cc(C)cc(C)c2)n(COCC=C(C)C)c(=O)[nH]c1=O 1912790 ICHBXWAQOFEBAU-UHFFFAOYSA-N 356.466 3.247 0 1 FGAF Cc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 3250237 RDSWHDNGNAWBGI-UHFFFAOYSA-N 350.300 3.295 0 3 FGAF O=C1CCCc2ccc(CC(=O)N3CCCC[C@H]3CN3CCCC3)cc21 3797538 STMCSVQZUYGQII-IBGZPJMESA-N 354.494 3.225 0 1 FGAF O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccccc1 4238855 QWYCLJHSXSWRRN-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF O=C(CCc1nc2cccnc2n1Cc1cccs1)NCc1ccco1 6737774 VEBWMSPIFNFRQU-UHFFFAOYSA-N 366.446 3.383 0 1 FGAF CN(C(=O)NCCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 29254617 GZJXVMWTRPNUHD-UHFFFAOYSA-N 357.454 3.271 0 1 FGAF Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 28958950 MPBSKGHZYFSSQJ-IBGZPJMESA-N 355.463 3.216 0 1 FGAF O=S(=O)(Nc1cncc(-c2cnc3ccccn23)c1)c1ccc(F)cc1 113699091 HUVOLDCEJFBEOC-UHFFFAOYSA-N 368.393 3.336 0 1 FGAF CC(C)N(CC[C@@]1(c2ccccc2)C(=O)NCN2CCCC[C@H]21)C(C)C 28265177 ZURWTJLUKIDQPW-UNMCSNQZSA-N 357.542 3.375 0 1 FGAF COc1cc([S@](C)=O)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3 29307983 QWQSYPLDOIAGAG-AREMUKBSSA-N 369.446 3.206 0 1 FGAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H]3COc4ccccc4O3)cc2)S1 28714336 DFEJSZCZXHPODS-KDVQLTRESA-N 369.398 3.229 0 1 FGAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)Nc1nccs1 5412841 OCAOOGJCWJGGTM-KBPBESRZSA-N 358.467 3.055 0 1 FGAF biogenic Cc1c(O)c2c(c(C(=O)CCc3ccccc3)c1O)OC(C)(C)[C@@H](O)C2 14821423 BAHXHQFEFUBNER-INIZCTEOSA-N 356.418 3.296 0 1 FGAF biogenic Oc1cc(Oc2c(O)cc(O)cc2O)cc(Oc2c(O)cc(O)cc2O)c1 14823563 BEZUQMUHLQVULZ-UHFFFAOYSA-N 374.301 3.210 0 1 FGAF biogenic CC1=C(C(=O)O)[C@@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 220901582 PJGMKMWELQALRV-GFCCVEGCSA-N 351.790 3.385 0 1 FGAF O=S1(=O)C=C(c2ccc(C3CCCCC3)cc2)S(=O)(=O)CCC1 231461889 MWEWMWQBVCJDMA-UHFFFAOYSA-N 354.493 3.266 0 1 FGAF CCCN(CC(F)(F)F)C1=C[C@@H]2NC(=O)C=C(C(F)(F)F)[C@H]2C=C1 253661032 XAYIQAIPEIDAEJ-PWSUYJOCSA-N 354.294 3.318 0 1 FGAF COc1ccc(C[C@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)cc1 43075059 OQPMMZXQSPMSJV-FQEVSTJZSA-N 356.418 3.401 0 1 FGAF biogenic COc1ccc(C[C@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1OC 587925719 HHXMRJXTBMIWSZ-QMMMGPOBSA-N 362.480 3.294 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC3 587106637 MNSBNJYFMLIIHU-LSWYUMSHSA-N 370.408 3.149 0 1 FGAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2cccc(F)c12 587636770 HZOCIYNXKQZBLL-UHFFFAOYSA-N 372.352 3.061 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccn3n2)N1 587796135 PIZYWPLCURQMLL-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587028756 VHAPJTINKRMYKR-UHFFFAOYSA-N 360.420 3.237 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587441949 VRKFTMHGIRTWJO-WBUIGNHESA-N 354.358 3.036 0 1 FGAF CCOC(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587400272 PWFZKWZEUPGHIH-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF CCOC(=O)CC[C@]1(c2ccncc2)NCCc2c(OC)ccc(Cl)c21 963257619 LUJZPZOBEBZUMC-HXUWFJFHSA-N 374.868 3.476 0 1 FGAF CCc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709262 NHOFPTKQFDWKBW-MGPUTAFESA-N 353.466 3.499 0 1 FGAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(CO)ccc23)n1 1857610947 WXCIANWQHNJUTI-UHFFFAOYSA-N 361.417 3.485 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(O)c31)[C@@H]1CC[C@@H](C2)N1 100633089 FCUJWWNPRKGBPB-LRDDRELGSA-N 368.458 3.066 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356855355 RCMYYZNUDQDHOY-AGURSJMDSA-N 355.482 3.000 0 1 FGAF Cc1ccc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccccc2C)cc1 36387292 AHBTVWOTRQGHQK-SFHVURJKSA-N 371.458 3.450 0 3 FGAF COc1ccc(-c2cn(CC/C(C)=C/CSCCC(=O)O)nn2)cc1 84714558 GEYPHWVIJCOLOI-RIYZIHGNSA-N 361.467 3.498 0 1 FGAF O=C(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1cc2c(s1)CCC2 587035270 RCAYBUNXVHHBLS-UHFFFAOYSA-N 351.353 3.460 0 1 FGAF NC1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 587256871 SAGJDWCESJQORB-UHFFFAOYSA-N 374.080 3.468 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(CSCC(=O)OCC)CC2=O 587491165 JNVOWFFVNDQMFI-SFHVURJKSA-N 352.452 3.365 0 1 FGAF Nc1ccc(-c2cc(O)n(-c3c(N)cccc3Br)c2O)cc1 587935791 QHYHSBZUHWFWTF-UHFFFAOYSA-N 360.211 3.482 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]ccc2=N)N1 587748985 ZFWJKXYAYSFRTL-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF C[C@@]1(c2ccc(O)c(C(N)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511453 PZFJRKHTWDJQGM-NRFANRHFSA-N 351.402 3.251 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccs1 587609417 BWQUVCIYJNEGRK-HNAYVOBHSA-N 368.366 3.395 0 1 FGAF [O-][n+]1ccccc1SCc1nc2c(Cl)c(Br)cnc2[nH]1 586970072 UMRRMIRHMFFCIO-UHFFFAOYSA-N 371.647 3.300 0 1 FGAF FC(F)COc1cccc(-c2nc3cnc(Br)cc3[nH]2)n1 587125962 UOVPQXWDASUHRG-UHFFFAOYSA-N 355.142 3.426 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2N1 587123255 HGXZMNAKTDRMGQ-JVXZTZIISA-N 363.347 3.018 0 1 FGAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)n1 587079102 HHOQTJPKSGYFAK-VIFPVBQESA-N 352.847 3.454 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(Br)cc21 587370319 FDTLIROCNBAHHM-QGZVFWFLSA-N 373.206 3.153 0 1 FGAF COC(=O)[C@H](C)[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641800 SGXVIIVIHWFCAP-KPDCDPCYSA-N 364.489 3.458 0 1 FGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cnc2c(c1)OCCO2 962700070 FKIUFQNVWOKWFL-AUUYWEPGSA-N 372.465 3.445 0 1 FGAF Cc1cccc(C(=O)N[C@]23CCC[C@@](NC(=O)c4ccncc4)(CC2)C3)c1 169710858 ROVACBZWABKJSI-FGZHOGPDSA-N 363.461 3.395 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 169714234 RLATZNIHDCUZGM-VBSBHUPXSA-N 365.429 3.300 0 1 FGAF CCC(=O)N[C@@H]1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21 205005635 RXJOFZNMHGDABT-GOSISDBHSA-N 367.424 3.310 0 1 FGAF Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)ccc2n1 1857763391 SIQWIQBAKURYBK-UHFFFAOYSA-N 373.460 3.138 0 1 FGAF CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(C)nn(-c2ccccc2)c1C 3339759 GZKNEOSFWDOBKB-GOSISDBHSA-N 368.437 3.022 0 3 FGAF CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@@H](c3ccccc3)CC2)CC1 101161909 YXJVHGRECXOLSW-WGSAOQKQSA-N 357.498 3.365 0 1 FGAF CCCCNc1nc(N2CCCC[C@H]2CCO)nc2c1ncn2C(C)C 26469966 NYQYYSIFCSDYGN-HNNXBMFYSA-N 360.506 3.361 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc1 64526807 UFBRQERFYMHTLN-XMTFNYHQSA-N 361.438 3.462 0 1 FGAF CC1=C[C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@@]34CC(=O)C[C@]3(C)[C@@]2(CC1)CO4 2356807026 AIYSATQWSAEUJE-OCVXTVMPSA-N 368.429 3.433 0 1 FGAF COc1ccc(C(=O)[C@H]2c3cc(OC)c(OC)cc3C=CN2C)cc1O 2356829461 IYOLQXSJSAQSTA-LJQANCHMSA-N 355.390 3.258 0 1 FGAF CCCCNC(=O)Nc1ccc(OC[C@H](O)[C@@H](C)NC(C)C)c(Cl)c1 28768208 YDQOKEKJAWQKNF-CJNGLKHVSA-N 371.909 3.388 0 1 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](CC(=O)CCC[C@]4(C)OC[C@@H]2C)[C@@H]31 35086301 ARTZUUBHXRPSMO-KCGHDUOGSA-N 364.482 3.142 0 1 FGAF O=c1oc2ccc(-c3ccncc3)cc2c2c1[nH]c(=O)n2-c1ccccc1 210278498 WXUKICABEMHKCO-UHFFFAOYSA-N 355.353 3.487 0 1 FGAF CC(C)(C)OC(=O)NC[C@@H](NO)c1c[nH]c2ccc(Br)cc12 71332386 DUPLPTVSQPRSSI-CYBMUJFWSA-N 370.247 3.475 0 1 FGAF COc1ccc(-c2cc(=O)oc3c(O)c(OC)cc(OC)c23)cc1OC 15113639 NESSWJRYPSQBRF-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic O=C1N[C@@H](Cn2cc(-c3nc(Cc4ccccc4)no3)c3ccccc32)CO1 40430968 NTLXIWQHGSPFAV-HNNXBMFYSA-N 374.400 3.391 0 1 FGAF NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccccc3)cc2)C1=O 40937761 CXZKKTMFAIWBCP-GDNBJRDFSA-N 354.387 3.001 0 1 FGAF CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(Cl)cc1 95894136 CSCIRBUGACPBAT-XUVXKRRUSA-N 356.853 3.035 0 1 FGAF C=CCN(C)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206666 FWTBZFHAHIOLGV-ZBFHGGJFSA-N 359.466 3.152 0 1 FGAF biogenic CO/C=C(\C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C 263638604 WAVDUDGTTMFJQX-KZKIMWBJSA-N 354.450 3.426 0 1 FGAF CC(C)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCN(C(C)C)C3)cc2)CC1 653765535 MLNZYIQIFPHNKO-LJQANCHMSA-N 373.541 3.151 0 1 FGAF NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1N 653707179 QKGFFSUTXVFZFV-UHFFFAOYSA-N 350.399 3.434 0 1 FGAF COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cn3)s2)cc1 653688505 CMQRFXQLNSBQEX-UHFFFAOYSA-N 355.375 3.164 0 1 FGAF O=C(NCc1nc2cc(Cl)cc(Br)c2[nH]1)c1cscn1 587028248 NNVGCUAKGBXQKK-UHFFFAOYSA-N 371.647 3.365 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CC(=O)O)N1 587751874 BFONJCAEPAGKDY-JDNHERCYSA-N 367.218 3.098 0 1 FGAF N[C@H](N=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966926 LSAXRIGOQKPOMM-CQSZACIVSA-N 367.394 3.024 0 1 FGAF O=C1c2ccccc2C(=O)N1[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 587212725 QKEKDHZDWWHVOT-AWEZNQCLSA-N 354.409 3.487 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NC1CCCC1 587868255 JQQBALCOVZKZFY-UHFFFAOYSA-N 354.332 3.473 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1N1CCOCC1)O2 587382153 OTYBSKVEBDUUKR-GOSISDBHSA-N 356.397 3.259 0 1 FGAF O=C(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587035461 UMDGBGNXFAWXSG-UHFFFAOYSA-N 350.806 3.231 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760992 RXKIEPIOQIVXNW-MGPLVRAMSA-N 367.266 3.151 0 1 FGAF Cn1ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581721 LWERLICALCUDTA-GHTZIAJQSA-N 362.385 3.319 0 1 FGAF C[C@]1([C@@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359881 SORZGFKYBJSQMS-WRWLIDTKSA-N 356.349 3.212 0 1 FGAF CCOC(=O)CC[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436187 MXMXTIBKIWUVKC-IERDGZPVSA-N 367.401 3.076 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc3ccc(F)c(F)c3n2)N1 962896278 BLJZUJVIBASXJT-MAUKXSAKSA-N 358.319 3.340 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 962949067 PCZXFJXRTLAUKR-CCEOFHMWSA-N 366.461 3.377 0 1 FGAF CCOC(=O)[C@@H]1CCOCC[C@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962953082 PSLKGMSGXYSYLM-FNXXIHLHSA-N 356.466 3.277 0 1 FGAF Cc1ccc(NC(=O)C[C@]2(C)NCCc3c(C(=O)O)cccc32)cc1C 963135104 WTEZZISWHYKHGG-NRFANRHFSA-N 352.434 3.391 0 1 FGAF COc1cc(C(=O)N[C@H](Cc2ccccc2)C(C)=O)ccc1-c1cn[nH]c1 1772588897 PILIWAPJQLCXKO-LJQANCHMSA-N 363.417 3.015 0 1 FGAF COC1CCC2(CC1)Cc1ccc(-c3cncnc3)cc1[C@@]21COC(=N)N1 1772584714 HCULHXVLYCNDEI-JITJBCMDSA-N 364.449 3.025 0 1 FGAF COc1ccc2nc([S@](=O)Cc3c(N)cc(C)c(OC)c3C)[nH]c2c1 5891962 AQTPDRUJRKIGDI-VWLOTQADSA-N 359.451 3.087 0 1 FGAF O=C(CCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O 13493255 NXHKMBHNFYBTMT-UHFFFAOYSA-N 365.433 3.319 0 1 FGAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccncc1)[C@@H]23 169333596 XUCHKCZSGCYLNO-VMBXEPDQSA-N 371.525 3.100 0 1 FGAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(C)(C)C)c1 169706983 SQFYPKHXWMYIFQ-INIZCTEOSA-N 368.481 3.332 0 1 FGAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)N1 1857583038 TUOADMCUCYIXFI-SFHVURJKSA-N 353.447 3.249 0 1 FGAF COc1ccc(OC)c2c1C[C@H]1c3cc(C(=O)N(C)C)sc3CCN1C2 1857745331 MQAOLQJCOWAUKE-HNNXBMFYSA-N 372.490 3.123 0 1 FGAF CCOC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 2336501 KSIYFCDKMVHCGZ-NSHDSACASA-N 373.475 3.337 0 3 FGAF CCCCC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@H](O)CCCC(=O)O 2356430299 IXAQOQZEOGMIQS-GBESFXJTSA-N 352.471 3.129 0 1 FGAF Cc1ccc(Cl)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NC(C)C 103178236 AURXONOXTNIUDO-UHFFFAOYSA-N 360.845 3.446 0 1 FGAF CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 26155510 LQODIDNDJRJZMH-INIZCTEOSA-N 365.470 3.280 0 1 FGAF COc1ccc2c(c1OC)[C@@H]1[C@H]3Cc4ccccc4CN3C[C@H](C2)N1C 28880523 YZKOTHYTKMGMNZ-UEXGIBASSA-N 350.462 3.042 0 1 FGAF Cc1ccc(NC(=O)c2ncn(CCCNCc3ccccc3)n2)cc1C 61936066 QASHIQGJWWYCTJ-UHFFFAOYSA-N 363.465 3.327 0 3 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)[C@@H](O)C[C@@H]32)C1 2356480215 UHSXDCKLIKSRBX-NOBXJXFTSA-N 350.499 3.293 0 1 FGAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C)C[C@@H](O)[C@H](OC)CC1=O 2356561565 AEWXJAHAEHUTIT-HLIPFELVSA-N 352.471 3.358 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3(CO[C@@H]1O)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356609650 IRKBJATUVHHXPU-UUACFESTSA-N 360.450 3.260 0 1 FGAF COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 38698704 BPLBOKLZUWOPLE-HNNXBMFYSA-N 369.421 3.127 0 1 FGAF COc1ccc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)cc1OC 14643944 SUPFYYVLYHYYGM-CYBMUJFWSA-N 360.362 3.133 0 1 FGAF biogenic Cc1cnn(C2(C(=O)O)CCN(c3ccnc4cc(Cl)ccc34)CC2)c1 72433538 NCCFQDZZPLVSGQ-UHFFFAOYSA-N 370.840 3.473 0 1 FGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CCC1 1911570511 KMAIKNZPIZSKID-UHFFFAOYSA-N 350.304 3.340 0 1 FGAF COc1cccc(OC)c1-c1c(CO)c(CO)c2n1-c1ccccc1C2 43011168 GQWNJQXOVVDAGX-UHFFFAOYSA-N 351.402 3.050 0 1 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(Cl)cc1F 40846648 YNUBGNHYXUNQPQ-HNNXBMFYSA-N 360.834 3.436 0 1 FGAF NCCNC(=O)c1cncc(-c2cnc(Nc3ccccc3Cl)s2)c1 84596842 DNPCRZZEHRJWOJ-UHFFFAOYSA-N 373.869 3.291 0 1 FGAF Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23)cc1N 143446263 ZNUKTCUJRSCYCA-UHFFFAOYSA-N 356.403 3.229 0 1 FGAF C[C@H](c1cc(Cl)cc(Cl)c1)N(C)c1ncc2c(N)nc(N)nc2n1 230562159 UCTWSKPOBKSLHG-SSDOTTSWSA-N 364.240 3.088 0 1 FGAF COc1cc(CN(C)[C@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc(OC)c1OC 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587437167 FAVRDMNHFNLDJC-MGPUTAFESA-N 364.357 3.146 0 1 FGAF C[C@@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 587175318 YCYVRIZBDKGMLI-HNNXBMFYSA-N 366.274 3.091 0 1 FGAF CC1=C[C@]2(CC(=O)N1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759653 LSCHIXHYVXRXPN-XXFAHNHDSA-N 353.235 3.084 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(N)=O)s2)N1 587849299 SFIFUXPAJQCMCB-NXSYQRQQSA-N 369.259 3.372 0 1 FGAF O=S(=O)(c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1)C(F)(F)F 586897175 SQLMUODUIFAWRS-UHFFFAOYSA-N 370.352 3.347 0 1 FGAF C[C@@]1(c2ccnc(Cl)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216440 BSEMXXLWDLCLAH-KXBFYZLASA-N 371.799 3.285 0 1 FGAF COc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 169304972 FOAKVRJLGKKMDS-LJQANCHMSA-N 352.434 3.009 0 1 FGAF Fc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@H]2c1ccccc1F 101679960 IWZGOIGTTNRBJI-CWIMXHLESA-N 369.440 3.425 0 1 FGAF Cc1ccc([C@H]2CNC(=O)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 26575609 KBOAFUZEVQEQBO-OAHLLOKOSA-N 350.827 3.104 0 1 FGAF CCCc1nc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)co1 26576476 OBFDXTUWQYWRFE-HNNXBMFYSA-N 360.435 3.143 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@](O)(CC[C@@]12C)[C@H]43 2356550088 BIOQITHAUXBDPF-KCVJQRIHSA-N 371.521 3.147 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1[C@H](O)C=C2C1=CC(=O)OC1 119305967 LOUCJBIZSPLEFL-IPLPKNHDSA-N 372.505 3.380 0 1 FGAF in-man COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 71319341 CZYWWRRSTIZTFL-USANHHIESA-N 350.499 3.296 0 1 FGAF O=C(NCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71319397 DGSPQOJPNNALAW-UHFFFAOYSA-N 360.361 3.249 0 1 FGAF COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O 14447713 NDCKQHZMIZHJRH-JWCBKOKGSA-N 370.401 3.137 0 1 FGAF biogenic CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCCC1 82082378 BACJOQFTTMTUPW-HNNXBMFYSA-N 361.467 3.170 0 1 FGAF Cc1ccccc1C(=O)OC[C@@]1(CO)C/C(=C/C2CCCCC2)C(=O)O1 45497676 PPXALMKAXPVEAT-LRJKXPEMSA-N 358.434 3.337 0 1 FGAF COC(=O)C1=C(C)N(C)C(NCc2ccccc2)=N[C@H]1c1ccc(F)cc1 199422722 KBCXICYNSIILLX-IBGZPJMESA-N 367.424 3.405 0 3 FGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3noc4ccccc34)C2)cc1 142335534 UXTITQBOEGFQMV-ZDUSSCGKSA-N 351.406 3.293 0 1 FGAF O=C1C[C@@H](c2nc3cc(Cl)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587147844 CACUFCPMVFRHMO-SNVBAGLBSA-N 362.767 3.406 0 1 FGAF CCCC(Br)(CCC)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586970995 NIUDPWOOAJPMIT-UHFFFAOYSA-N 374.304 3.401 0 1 FGAF C[C@H]1CN(C[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C[C@@H](C)O1 587876197 PLYXUUGTPKZQPE-RWMBFGLXSA-N 359.401 3.180 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(N)=O)cs2)N1 587848923 PYLVADBSXKIHQJ-NXSYQRQQSA-N 369.259 3.372 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cccc21 587372251 OTYBUYFTBZBMED-KRWDZBQOSA-N 373.206 3.153 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C)[C@@H](C2)C3=O 587440460 ZUJOSFJQJSYYQC-RKFVTTHHSA-N 373.449 3.458 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H]1CN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436305 PRKRCUCNIYFVFO-KPXNWFNQSA-N 371.433 3.211 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4c(C)cccc41)[C@@H](C2)C3=O 587449567 CGQNKCWZSOFZOA-QKKBWIMNSA-N 364.353 3.007 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(Cl)cc31)O2 587380155 QAOJHGXWXRYACB-LJQANCHMSA-N 371.776 3.452 0 1 FGAF CN(Cc1ccccc1)C[C@H]1[C@@H]2CC[C@@H](C2)[C@]12c1c(cnn1C)CCN2C 963954908 MZEHEYPWYONVCP-LCKKVJLRSA-N 364.537 3.281 0 1 FGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1 113978288 IBNOLJAQNSYNJJ-CQSZACIVSA-N 351.328 3.014 0 1 FGAF C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCCCC1 3227833 SBGZRFNZSDKOGD-FQEVSTJZSA-N 358.507 3.366 0 3 FGAF C[C@@H]1SC(=O)NN=C1c1ccc2c(c1)C1(SCCCS1)C(=O)N2 3787510 CYRKCISKJKAUDG-QMMMGPOBSA-N 365.505 3.211 0 1 FGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ncccc4C)C[C@H]3F)[nH]c2c1 2356354151 GKRHDPVBSULECK-DNVCBOLYSA-N 370.428 3.014 0 1 FGAF C[C@@H]1CCC[C@@H](NC(=O)Cn2ncc3c4ccccc4nc-3c2O)[C@@H]1C 103535854 PBQMNORLDQPJJW-XJKCOSOUSA-N 352.438 3.183 0 1 FGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CCC1 59285512 QFRANMXDJNTPMN-UHFFFAOYSA-N 374.790 3.443 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)N[C@H]3CCCC[C@H]3N2)cc1 27098513 WJASGKFVGUSBTB-MSOLQXFVSA-N 373.460 3.100 0 1 FGAF O=C(CCC(=O)N1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(Cl)cc1 28563199 VSBUUKXBSSNKRQ-UHFFFAOYSA-N 374.872 3.263 0 1 FGAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@@H](c1ccccc1)C3 28871467 UPPAWGRIZBJMGJ-MRXNPFEDSA-N 363.461 3.109 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)=CN1 2356828310 ZEDMEULLNIXPOX-QGZVFWFLSA-N 368.436 3.097 0 1 FGAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@@]21CCC(=O)NC1CC1 2356870619 XTEFTOQHXOSCQH-NLEAXPPASA-N 350.547 3.379 0 1 FGAF Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](Cn3ccnc3)O2)cc1 40865326 SQPXHMFZHASKAU-RTBURBONSA-N 372.856 3.178 0 1 FGAF COc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccccc2OC)cc1 42889826 NSLTWFFVUQGTEZ-QGZVFWFLSA-N 359.466 3.054 0 1 FGAF CCOc1nccc(C)c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226050997 FZMWFGXVRUFCCE-ULQDDVLXSA-N 367.449 3.256 0 1 FGAF C[C@@]1(CC2CCCCC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 85593587 DNICCXQXGLXWKX-NQIIRXRSSA-N 374.433 3.016 0 1 FGAF biogenic,in-vitro C[C@@]1(O)C(=O)O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 255254568 OMIIAMVKAQNJCI-ROTYANFNSA-N 360.494 3.213 0 1 FGAF CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Cl)cn1 587652200 XTVPBIVLOWPWGU-ZDUSSCGKSA-N 351.193 3.191 0 1 FGAF Cc1n[nH]cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657648 CIWRVAJMSLGGMQ-UHFFFAOYSA-N 366.327 3.062 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nc(C)cc(C)n1)[C@@H](C2)C3=O 587429967 FCMXCRFKOAZOLA-MGPUTAFESA-N 361.401 3.381 0 1 FGAF Cc1ncncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587780059 XZSZLNZMOZWPKT-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ncc[nH]c-3n2)c1 587147492 QRPHJGNGQBMWNR-UHFFFAOYSA-N 364.336 3.484 0 1 FGAF Cc1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c(C)n1 586929236 URIKLHXNTBILNV-UHFFFAOYSA-N 364.858 3.049 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 587231278 NDQZLWQCOQCJMI-LSDHHAIUSA-N 366.465 3.456 0 1 FGAF Cc1nc(C2CC2)sc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587011120 CVMGRXOXMMUTDX-UHFFFAOYSA-N 362.480 3.123 0 1 FGAF COc1ccc(C=O)c(-c2nc3nc(Br)ccc3[nH]2)c1OC 587785591 CPMWPRBAGDJMNZ-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF COC(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587402850 IIMDIKHEYNBYQX-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF Cc1c(F)ccc2c1C1(CCN(c3ccc(C(=O)O)cc3)CC1)NCC2 962299657 PCZFJPTVVLFJNT-UHFFFAOYSA-N 354.425 3.474 0 1 FGAF Cc1c(O)ccc2c1[C@H](c1coc(-c3ccccc3)n1)N[C@H](C(=O)O)C2 963513132 YWMKYPDVUKKWPW-KSSFIOAISA-N 350.374 3.044 0 1 FGAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)cc1 1645465 WZRGMGURBHWPOY-AEFFLSMTSA-N 356.418 3.287 0 1 FGAF Cc1sc(NC(=O)c2cc(O)c(O)c(O)c2)nc1-c1ccc(O)cc1 115806708 HUCNHISGRWIOFA-UHFFFAOYSA-N 358.375 3.193 0 1 FGAF O=C(Cn1cnc2ccccc21)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12430277 CEEXCPIPAVISAB-HNNXBMFYSA-N 370.403 3.418 0 1 FGAF CC(C)C/C=C1/C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13517860 OZBVCLQSUOXWKI-ATPWARJRSA-N 354.487 3.498 0 1 FGAF CNC[C@@H](O)CN1CCc2c(cccc2Oc2ccc(F)c(Cl)c2)C1 1857593940 NTXVUZREUKEWIS-CQSZACIVSA-N 364.848 3.210 0 1 FGAF COc1ccc(C[C@@H](O)/C=C/C=C/C(=O)NCc2ccccc2)cc1OC 1857746275 KTIWUSJTYWEHPC-PMEIMIEZSA-N 367.445 3.036 0 1 FGAF CC[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2Cl)C1=O 2934245 FRPAUWJWFXRFCS-INIZCTEOSA-N 358.825 3.160 0 1 FGAF Cc1ccc(C2=CCc3ccccc3N=C2N2CCN(CCO)CC2)cc1 53046093 SXONGHKHYKMEHG-UHFFFAOYSA-N 361.489 3.275 0 1 FGAF C[C@H]1CN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C[C@H](C)O1 102457133 WJIDHJXPQVHCPS-OKZBNKHCSA-N 352.478 3.390 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@H]1O 103205801 PNNNUHUHKIJMHR-NEPJUHHUSA-N 357.781 3.404 0 1 FGAF CC[C@H]1CCCCc2ccccc2[C@@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959157 CDHITIHANXASKS-KNBMTAEXSA-N 360.450 3.323 0 3 FGAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(OC)c1 27629843 ARCVSUOWVDKUAA-UHFFFAOYSA-N 359.378 3.141 0 1 FGAF COc1ccc(Nc2nc(C)nn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 49045955 FTTHKELRMOFODV-MRVPVSSYSA-N 369.347 3.084 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[C@H]2CCCCN2CC1 40466810 BHLFSULBTRYLAE-CHWSQXEVSA-N 351.878 3.068 0 1 FGAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3cccc(Cl)c3)cc21 84596761 YTKFTJCSVTYEOY-UHFFFAOYSA-N 367.839 3.156 0 1 FGAF O=C(N[C@H](Cc1ccc(F)cc1)c1nnn[nH]1)c1ccc2ccccc2c1 49070654 NSKKJKJEHGOOFN-GOSISDBHSA-N 361.380 3.206 0 1 FGAF O=C1NC(=O)[C@@](CCCOCc2ccccc2)(c2cccc(Cl)c2)N1 84688539 APTIFAXEFSRQIU-LJQANCHMSA-N 358.825 3.372 0 1 FGAF COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3C)c(OC)c2)c1 221699087 VEVYRBNJYOHRJR-UHFFFAOYSA-N 351.406 3.332 0 1 FGAF C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 49031402 YSTPWPWIXDYZLT-GFCCVEGCSA-N 353.451 3.495 0 1 FGAF COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)nc1 147822510 UIQJFQAOJKLFFB-UKRRQHHQSA-N 363.417 3.209 0 1 FGAF Nc1ccc(-c2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cn1 96283497 FWNIAYUIKZYIFT-UHFFFAOYSA-N 367.478 3.365 0 1 FGAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O 95558823 SXNOWQCFHNZUIX-MRXNPFEDSA-N 368.868 3.130 0 1 FGAF O=C(OCCF)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 261178368 VLIANQRCIMWNHF-BYNSBNAKSA-N 356.235 3.186 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806096 JCYIATUBRFBWIK-GSDQYQHOSA-N 368.246 3.457 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CN(C3)C1 587791433 MBUAGLFVDIGZHU-YAJWGGFISA-N 365.290 3.289 0 1 FGAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587591627 WLPRFNBSSBHFTB-VQIMIIECSA-N 365.341 3.210 0 1 FGAF COC(=O)/C=C(\C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810616 VEKSVTYWCDWASJ-NQIYVWNNSA-N 356.235 3.457 0 1 FGAF COC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174076 LOALHQFLKBWPQA-IBGZPJMESA-N 354.337 3.117 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cnn(-c3cccc(Cl)c3)c2)N1 962916995 YCSYHGMFTIRRMI-ZWKOTPCHSA-N 371.799 3.353 0 1 FGAF C[C@@]1(c2ccc(-c3nn[nH]n3)s2)c2c(F)cccc2C[C@H]2CCCN21 963114136 RWWYTXQMQIJCEI-KZULUSFZSA-N 355.442 3.351 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2([C@@H](N)CC(C)C)C(F)(F)F 963612016 RRUQHWJMWMFTST-XNJJOIOASA-N 360.420 3.369 0 1 FGAF O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1nccs1 3352219 BFZPZFFBDBGZKI-NTMALXAHSA-N 365.461 3.270 0 3 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1CCCC(=O)O 169622198 ZOCFIYOANZRNDX-GRZFXSKDSA-N 354.487 3.043 0 1 FGAF CCOC(=O)[C@@H]1C(c2ccccc2)=NC(=S)N[C@H]1c1cccc(OC)c1 169726031 ICHYZHZZUDJRPQ-AEFFLSMTSA-N 368.458 3.293 0 1 FGAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@@H]1c1ccccc1 1857648665 IHFMBXXPNLBYBX-GOSISDBHSA-N 369.471 3.144 0 1 FGAF CN1C[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C1=O 594620 XRCYVKVHHAWYFR-ZUOKHONESA-N 361.401 3.278 0 1 FGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054587 OJAOOVURWPBBAX-LNLFQRSKSA-N 372.852 3.319 0 1 FGAF Cc1ccc(-c2noc(CCC(=O)NCCCN3CCC(C)CC3)n2)cc1 4920914 IRBHVPMDIZOCIN-UHFFFAOYSA-N 370.497 3.216 0 1 FGAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 6806043 RBYITTUWJZOCBJ-ARFHVFGLSA-N 373.526 3.240 0 1 FGAF Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 59263570 MXIVMTFMGCHKJZ-YJBOKZPZSA-N 353.470 3.033 0 1 FGAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3cccnc3F)c2)C1=O 64513067 MQBLCYYZSGJMCL-OAQYLSRUSA-N 360.392 3.128 0 1 FGAF CCOC(=O)[C@@H](CO)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O 28873209 RTWTVNBPJQKUKN-GOSISDBHSA-N 355.434 3.407 0 1 FGAF CCCCc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc(CC)cc2)c1 29253422 MGAWHFPLBZLKNN-UHFFFAOYSA-N 350.426 3.419 0 1 FGAF O=C(c1cccnc1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356302390 UJYIGNYZVCBOIH-INIZCTEOSA-N 366.339 3.020 0 1 FGAF CC(C)(C)c1ccc(C(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1 28902830 WEFAHVKSSHZNRX-UHFFFAOYSA-N 370.430 3.399 0 1 FGAF OCCOc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114334206 PDNRANQFZBPQEF-LJQANCHMSA-N 366.465 3.011 0 1 FGAF CN(C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2)C1 60325486 DXPHMVPLORWBKA-OAHLLOKOSA-N 354.475 3.297 0 1 FGAF C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccccc1Cl 26004931 FVEFNLKTYCLOKS-MOPGFXCFSA-N 360.816 3.471 0 1 FGAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2cccnc2)C[C@@H]1C(C)C 2356609335 WNGSHRCHVFWHRJ-PCCBWWKXSA-N 371.525 3.421 0 1 FGAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)C(=O)C[C@H]1O 2356666366 WGCXTGBZBFBQPP-CGBFIWBNSA-N 366.498 3.340 0 1 FGAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12 38424099 JGZKXYWHNVBFJT-UHFFFAOYSA-N 371.396 3.452 0 1 FGAF O=C(O)c1cc2cc(Br)cc(OC[C@H]3CCCNC3)c2o1 71295424 DBDYEQWRFONQEP-VIFPVBQESA-N 354.200 3.272 0 1 FGAF O=C(O)Cn1c2c(c3ccccc31)CCN(Cc1ccccc1)C2=S 73198537 ABPAJGQYMSRKLV-UHFFFAOYSA-N 350.443 3.460 0 1 FGAF C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCCC3)CC(=O)N21 15953432 LYEDWDLSOJPGCM-FZKQIMNGSA-N 351.450 3.157 0 1 FGAF biogenic COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]12 139261347 XXZJUUFVWAGZEG-UXYNSRGZSA-N 366.461 3.487 0 1 FGAF COc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1[C@H](O)CO 40836387 HXBDGFIEYVMMIQ-MRXNPFEDSA-N 360.797 3.108 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nccs4)ncc23)ccn1 261182539 WKGNDYUUKIICRV-UHFFFAOYSA-N 365.422 3.107 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC 261183120 WNBMQMMGBBWUOZ-BDWIDDDKSA-N 366.498 3.340 0 1 FGAF in-vitro COc1ccc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc1OC 299827710 QQKXGNSQMOBUPB-UHFFFAOYSA-N 358.390 3.450 0 1 FGAF CS(=O)(=O)N1C[C@]2(CCN(CC3CCCCC3)C2)Cc2ccccc21 299852712 WPJDKBUYOICVCU-HXUWFJFHSA-N 362.539 3.281 0 1 FGAF O=C(O)CCNC(=O)Cc1c(-c2cccs2)nc2cccc3c2c1CC3 587358753 FLXODLRRAHHDNM-UHFFFAOYSA-N 366.442 3.195 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCSC[C@@H]1C(=O)OCC)CC2=O 587496698 SMNOCBKKXVWKFE-AUUYWEPGSA-N 364.463 3.365 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1nccn1C)(C1CCOCC1)CC2=O 587470825 MJKYYVLWENTFHX-NRFANRHFSA-N 370.449 3.366 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncnn2c1 587586564 KRLHHPZZYUSKAF-YLJYHZDGSA-N 359.341 3.138 0 1 FGAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587116721 CKJGAAJZZRNDMT-UHFFFAOYSA-N 350.279 3.307 0 1 FGAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 587764163 OOUZXDDDPNWRGQ-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF O=c1c(Br)c[nH]cc1-n1c(O)cc(C2CCCCC2)c1O 587940860 NLIZTIZNONMIGX-UHFFFAOYSA-N 353.216 3.387 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(C(=O)CC(C)(C)C)CC1)[C@@H](C2)C3=O 587437473 IVDWEJMJFUZQIL-HNNXBMFYSA-N 357.450 3.240 0 1 FGAF Cc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1F 586927891 YWTSFJGGYUUVRR-UHFFFAOYSA-N 360.410 3.229 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2N)N1 587748371 WPTIYAGZFBWPRA-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF COC1=C[C@@]2(C[C@@H](C(=O)O)C1)c1cccc(Br)c1CCN2C 963278861 CTEHYUAMHJZUKZ-GTNSWQLSSA-N 366.255 3.157 0 1 FGAF COc1cccc(CO)c1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772631366 QWWWIWYSDOQFFQ-MRXNPFEDSA-N 368.389 3.153 0 1 FGAF COCc1ccc(CN2CCC[C@](CO)(Cc3cccc(OC)c3)C2)o1 11873241 XAHDLFZUOAUJHD-NRFANRHFSA-N 359.466 3.252 0 3 FGAF O=C1NCC2=Nc3ccccc3N[C@@H](c3ccc(Br)cc3)[C@@H]12 169691156 PMYQZECIWLZFGN-HOTGVXAUSA-N 356.223 3.434 0 1 FGAF Cc1ccc(CN2CCCC[C@H](NC(=O)Cc3cccs3)C2=O)cc1 200052509 AUBJEDKOLXFANU-SFHVURJKSA-N 356.491 3.297 0 3 FGAF c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)nc1 100052829 YKCHNWKXANLFGS-KDURUIRLSA-N 366.513 3.055 0 1 FGAF C/C(=C\CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 1857572098 ARTPIECVCQOZJT-IVVXPXLASA-N 374.433 3.040 0 1 FGAF c1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2 1489735 JKXNHYROCOIFSB-UHFFFAOYSA-N 363.461 3.304 0 1 FGAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCCCC2)cc1OC 2356303581 YIFMLSWQGBZDIV-GFCCVEGCSA-N 360.410 3.038 0 1 FGAF O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 3956002 GKJHGBONYLRWJC-HXUWFJFHSA-N 353.422 3.440 0 1 FGAF Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21 4238385 UYFRVVJDZMMJRI-UHFFFAOYSA-N 366.327 3.461 0 1 FGAF Cc1noc(C)c1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1F 4895807 RPVBYUNMYSTTSP-UHFFFAOYSA-N 373.428 3.132 0 3 FGAF CC(C)(C)CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356288295 ADWMXPCOUMDECN-JQVVWYNYSA-N 372.509 3.042 0 1 FGAF O=C(NCc1cccnc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61907331 AAAFCIOIVLBHKA-GOSISDBHSA-N 365.820 3.417 0 3 FGAF CNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12 63298489 JSDGKSMNPHJDFK-HWKANZROSA-N 353.403 3.033 0 1 FGAF C[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCCCC3)N2C1=O 26956649 MWDBXNUVOWLKLA-OYYNGEPBSA-N 351.450 3.061 0 1 FGAF O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(CN2CCCCC2)cc1 40423373 ROUJTABUDHEYCO-ZHZULCJRSA-N 361.445 3.396 0 1 FGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C=O)cc3)C[C@H]1C=N2 49808077 PURYRHMMFOPJIR-INIZCTEOSA-N 362.385 3.488 0 1 FGAF Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)NC3CC3)cc2)n1 1911571903 GFJVQOGPGWADQB-UHFFFAOYSA-N 365.393 3.015 0 1 FGAF COC(=O)[C@@]1(C)C2=C(CC[C@H]1O)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)CC2 1911585074 ZEHBSGKTWNETLD-VQECKWPSSA-N 374.433 3.315 0 1 FGAF CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1 40011494 YLRPNLSBXDKDFI-GOSISDBHSA-N 357.454 3.334 0 1 FGAF CCNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2ccc(F)cc21 43121046 IQUFPTOFVDDVOF-UXHICEINSA-N 371.456 3.083 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@@H]3CCCN3)ccc12 149209764 FWIVFRCVWMTDRR-INIZCTEOSA-N 352.463 3.438 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2ccc(Br)cn12 147777763 DSLQRCAQPVQKIF-UHFFFAOYSA-N 369.222 3.049 0 1 FGAF CCc1cccc(-n2nc(OCC(=O)NC3CCCC3)c3cccnc32)c1 230558147 AMWIZZMVFHUPTJ-UHFFFAOYSA-N 364.449 3.421 0 1 FGAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)c(F)c2C1 149501153 SGEGZJBPVJESCW-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF O=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1 263620772 MXKVATSZRALAIN-UHFFFAOYSA-N 350.330 3.110 0 1 FGAF in-vitro COC(=O)/C=C/CCCN1C(=O)CN=C(c2ccccc2)c2ccccc21 653912135 GVFGKBVGKPYDJO-MKMNVTDBSA-N 362.429 3.380 0 1 FGAF C[C@@H]1CCc2cc(-c3ccnn3C)ccc2N1C(=O)c1ccc(O)cc1O 653682163 YTDJEAZYTGIAJJ-CYBMUJFWSA-N 363.417 3.480 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncc1N 587862493 PSLQJTYMLJNYTM-UHFFFAOYSA-N 362.311 3.243 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccco1)C(=O)O 587617643 QCQYPPBQMCZQHB-JXFKEZNVSA-N 366.325 3.013 0 1 FGAF CN(Cc1nc2ccc(C(C)(C)C)cc2[nH]1)S(=O)(=O)c1cccnc1 586928471 CKXNALPYYRDWJM-UHFFFAOYSA-N 358.467 3.076 0 1 FGAF COC(=O)c1coc2c1[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455443 MQJKURWXFHRRKH-XCLFUZPHSA-N 354.358 3.054 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2n1 587096852 CGRJOXVFCARJCN-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF CCN(CC)c1ccc(-c2nn(C(=O)OC)c(=O)c3ccccc23)c(O)c1 587664353 FOMZAHMKOFWSPO-UHFFFAOYSA-N 367.405 3.230 0 1 FGAF COC(=O)[C@@H](N=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587623679 ZEHPWDFDUANHFS-LBPRGKRZSA-N 351.160 3.096 0 1 FGAF Cc1ccc(C)c2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202423 HZBQNXISSRQCLE-HNNXBMFYSA-N 367.405 3.102 0 1 FGAF CCOC(=O)[C@H]1Cc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587400960 SQQKCAIWFLFPBY-IERDGZPVSA-N 351.402 3.173 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(C)cccc21 587486755 LCTPEDBSYDMBNK-NRFANRHFSA-N 351.402 3.490 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3c(C)cc(C)cc31)O2 587406939 FXIDRPDECVPNEP-OAQYLSRUSA-N 365.385 3.416 0 1 FGAF COC(=O)[C@@H]1CC(C)(C)C[C@]12c1cc(OC)c(OC)cc1C[C@@H](C)N2C 962631059 QGBHNADIHYFHCF-QTPGKHNVSA-N 361.482 3.385 0 1 FGAF CN(C)Cc1ccc(-c2nc(O)c3c4c(sc3n2)C[C@H](CO)CC4)cc1 1772608825 JVCBFAUVUQDSSU-CYBMUJFWSA-N 369.490 3.223 0 1 FGAF N=C(N)c1ccc(NCCCCCCNc2ccc(C(=N)N)cc2)cc1 5161828 RHYWFDWSRHYNPS-UHFFFAOYSA-N 352.486 3.339 0 1 FGAF COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(Cc3cccc(F)c3)=NO2)cc1 12099323 VPJCGSDCXMVOJX-YJYMSZOUSA-N 356.397 3.399 0 1 FGAF COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 13141843 RPFNGQGITRIHDR-HUBLWGQQSA-N 353.846 3.446 0 1 FGAF CCCCS(=O)(=O)Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167622194 LUWXXTONVVPGRU-UHFFFAOYSA-N 374.466 3.171 0 1 FGAF O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)n1ccnc1 26483396 HGXSDFNFOVZXAN-QLOJAFMTSA-N 351.450 3.316 0 1 FGAF NCCCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 28825856 UCCNNHFPGHICIT-HXUWFJFHSA-N 361.489 3.445 0 1 FGAF CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1 66079029 NVIZBOINSGBEAP-UHFFFAOYSA-N 351.450 3.270 0 1 FGAF Cc1csc(Nc2ccc3c(c2)[C@@H](N2CCCC2=O)[C@H](O)C(C)(C)O3)n1 27555606 NDCRVKIDSINIRL-SJORKVTESA-N 373.478 3.391 0 1 FGAF COc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Br)cc1 29128104 AWIVKEWGSVTBKA-UHFFFAOYSA-N 374.238 3.113 0 1 FGAF COc1ccc([C@@H](O)[C@@H](CO)CC=Cc2ccc(OC)c(OC)c2)cc1 2356758920 SHDASTAWVAKOSS-DYESRHJHSA-N 358.434 3.458 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCC2CCCCC2)co1 82070513 DTHGTQCWWZWOGJ-HNNXBMFYSA-N 369.465 3.465 0 1 FGAF CC(C)CCN1C(=O)c2ccccc2[C@H]1c1nnnn1Cc1ccccc1 95600097 KRVAGPHIHIAUNV-IBGZPJMESA-N 361.449 3.313 0 3 FGAF Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc21 96169278 ZHJSHIZXYYHRMF-HKUYNNGSSA-N 361.445 3.201 0 1 FGAF N=C(NC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1 473148644 GNQHBZVOLLYABX-UHFFFAOYSA-N 357.845 3.218 0 1 FGAF O=C(Cc1ccccc1)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F 473088979 PQKODGSJIMTWOJ-GOSISDBHSA-N 363.335 3.072 0 1 FGAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587242333 SPTAPDVTSAUYSE-UHFFFAOYSA-N 358.833 3.412 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587938551 XDYJMAUVNYGWHS-KPZWWZAWSA-N 374.462 3.202 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587232536 YTDZHIGZEDAJMU-GHMZBOCLSA-N 353.825 3.392 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CSc1nc(C)cc(C)n1)[C@@H](C2)C3=O 587447493 AOJXBMNZIZARSZ-LIRRHRJNSA-N 356.447 3.400 0 1 FGAF COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1OC 586997721 RNEGSVTUTVHRCJ-OAHLLOKOSA-N 363.211 3.424 0 1 FGAF COc1ccc(NC(C)(C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587201115 GASZIPZYASFWHS-UHFFFAOYSA-N 359.451 3.322 0 1 FGAF O=C1CSc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 587042709 DRCAVIORWZKDHE-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF Cc1csc(NC(=O)c2cc(N(C)Cc3ccc(F)cc3)ncn2)n1 1772599956 ATEKAFXGGJODGA-UHFFFAOYSA-N 357.414 3.269 0 1 FGAF CC(C)CCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454238 UJNMQXTZPSEGNU-ALOPSCKCSA-N 373.497 3.176 0 1 FGAF COC(=O)[C@H]1C[C@@H](c2coc3ccccc3c2=O)N(c2ccccc2)O1 169328136 YMIHGGLDJBBXMX-FUHWJXTLSA-N 351.358 3.218 0 1 FGAF O=C(O)c1ccc2cc(C(=O)Nc3c(O)cccc3C(=O)O)ccc2c1 200774085 FNPOPJWUHYLTIG-UHFFFAOYSA-N 351.314 3.194 0 1 FGAF Cn1c(S)nnc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857567626 DALMNDDQUTVKKD-UHFFFAOYSA-N 365.414 3.456 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(F)cc2)nc2ccc(C)cn12 1857612148 NWMLBXGZGSVEQB-UHFFFAOYSA-N 354.385 3.174 0 1 FGAF CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2c(OC)cccc12 29252646 QFRZYLFFTXIVGK-UHFFFAOYSA-N 362.378 3.496 0 1 FGAF Cc1cc(C)cc(OCc2nnc(SCC(=O)N3CCCCC3)o2)c1 876040 OVOFSKWDGRMIBA-UHFFFAOYSA-N 361.467 3.370 0 3 FGAF CCO[C@H]1Sc2nnc(CC)n2N=C1c1ccc(Br)cc1 103174217 YXAWLEYRVASZKA-ZDUSSCGKSA-N 367.272 3.324 0 1 FGAF CC(=O)c1ccc(OCCCCOc2ccc(-c3nnn[nH]3)cc2)cc1O 28395340 AATIWPILXHWLJS-UHFFFAOYSA-N 368.393 3.013 0 1 FGAF Cn1cc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c2ccccc21 28525625 JKRLDMBTCOQYIN-FGZHOGPDSA-N 374.488 3.009 0 1 FGAF COc1cc(NS(=O)(=O)Cc2ccccc2)ccc1-c1cncnc1C 114030526 LPZCLGBPFZTEJX-UHFFFAOYSA-N 369.446 3.403 0 1 FGAF COc1ccc([C@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2C)cc1OC 31520513 IFIWTPAIQQQGOD-WAQNEXLBSA-N 372.417 3.490 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 34008212 BHMBVRSPMRCCGG-SAIQCDIPSA-N 352.471 3.251 0 1 FGAF COC1(C)CN(c2cc(OC(C)C)c3ccnc(-c4cc[nH]n4)c3n2)C1 1911584889 UTDUKFIRGUAYPH-UHFFFAOYSA-N 353.426 3.032 0 1 FGAF CC(C)CNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1 72114551 LUPPEWDWAJWQLV-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF O=C(NCC1(O)CCCCC1)c1cc(-c2ncc(F)cn2)ccc1Cl 49784364 NPKWTUPLJQXKEA-UHFFFAOYSA-N 363.820 3.361 0 1 FGAF COc1cccc(OC)c1CNc1ncnc2c1ncn2[C@@H]1CCCCO1 40828788 GZAWIXXSUKWZDV-INIZCTEOSA-N 369.425 3.155 0 1 FGAF CC[C@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1 82140600 NDUNNQIHQHMCJJ-ZDUSSCGKSA-N 360.433 3.259 0 1 FGAF CCCc1cc(O)nc(-c2cccc(CN3CCN4CCC[C@H]4C3)c2)n1 253529411 PIFBHUYNBOSBTN-IBGZPJMESA-N 352.482 3.082 0 1 FGAF CC[C@H](C)[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(C)CC1 299839769 TZZJLDQPNCPMAT-LIRRHRJNSA-N 374.916 3.489 0 1 FGAF CCOc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 653713039 PYYYMZZZGHYAPJ-UHFFFAOYSA-N 351.288 3.461 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(C)(C)C)nc2[nH]1 587223734 FFRIVQLQYOMJAN-ZDUSSCGKSA-N 352.438 3.339 0 1 FGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587925493 BQLIKAHZMCIPEA-LBPRGKRZSA-N 367.405 3.453 0 1 FGAF O[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCOCC1 586914311 ZLSIDIBUOAGMHF-LLVKDONJSA-N 351.275 3.072 0 1 FGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1COc2ccccc21 587276961 VRFKHSCAIIAOHQ-LLVKDONJSA-N 374.190 3.442 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587765022 BEOURZOGWHXKLE-APPDUMDISA-N 369.278 3.350 0 1 FGAF COc1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587148607 IXOUGAZGGQHYEK-LBPRGKRZSA-N 357.360 3.366 0 1 FGAF CCn1cc([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587389707 IRTCXXOVYUVXHS-AQWUKCDYSA-N 354.454 3.038 0 1 FGAF Cc1c(Br)ccc2nc(CNC(=O)c3cscn3)[nH]c12 587028760 VMPYACVMUDUWCN-UHFFFAOYSA-N 351.229 3.020 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(C)=O)cc1OC)[C@@H](C2)C3=O 587432469 MBGNYTQCISJLLV-KKSFZXQISA-N 367.401 3.325 0 1 FGAF COc1ccc2ccc(=O)oc2c1/C=C/[C@@](C)(O)COC(=O)CC(C)C 13383921 FPSUCNLAFSYJJZ-SQUSKLHYSA-N 360.406 3.155 0 1 FGAF endogenous,in-man CCn1cc(CNC(=O)CCc2nnc(CCC3CCCCC3)o2)cn1 13595470 NJDCGRUYXUBUIO-UHFFFAOYSA-N 359.474 3.048 0 3 FGAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccccc1F 15937308 WZXLVIJKURPGCB-KRWDZBQOSA-N 355.475 3.327 0 3 FGAF CC[C@H](CC#N)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166762925 WLOVMHFIXNNEBF-MRXNPFEDSA-N 363.421 3.051 0 1 FGAF CC(=O)Nc1sc2c(c1-c1nc3cc4c(cc3s1)OCO4)CCNC2 1857582185 JBRSRAGDMPVXCL-UHFFFAOYSA-N 373.459 3.358 0 1 FGAF CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)c1 1343518 BJWOSWCDAYQJGG-SFHVURJKSA-N 357.454 3.334 0 3 FGAF Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4845927 PHOXYRXIMXQVMB-OGRXGRENSA-N 360.841 3.008 0 1 FGAF O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCCCC1 6796926 JQMGPOXZSBEIRH-UHFFFAOYSA-N 353.447 3.206 0 1 FGAF CCOC(=O)C1=C(NC(=O)c2cc(C)on2)Nc2ccccc2N=C1CC 7781616 VAXUQTMTARUTHQ-UHFFFAOYSA-N 368.393 3.096 0 1 FGAF COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)=O)c1 7992142 VZCQXKQDISUSLN-HMXCVIKNSA-N 354.402 3.334 0 1 FGAF CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12 28815169 YBEOAQXDVQZIRF-UHFFFAOYSA-N 353.260 3.408 0 1 FGAF COCc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587561 YDCQNMZBHPYQLL-UHFFFAOYSA-N 369.465 3.344 0 1 FGAF CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1 29069556 QMDPGLMZJJTIKT-UHFFFAOYSA-N 363.382 3.314 0 1 FGAF Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C(=O)N2)cc1 26572583 BLMREXKWWLHUKZ-OAHLLOKOSA-N 350.827 3.104 0 1 FGAF Clc1ccc(-c2cnc([C@H]3COCCN3Cc3csnn3)[nH]2)s1 2356565044 NGWDGMPKGHMRFF-LLVKDONJSA-N 367.887 3.217 0 1 FGAF CC(C)Oc1cc(N2CCOCC2)nc2c(-c3cccc(O)n3)nccc12 1911581794 FUFWEKYXOSMNMR-UHFFFAOYSA-N 366.421 3.021 0 1 FGAF COc1[nH]c(=O)c(C(=O)[C@H](C)Cc2ccc(C(C)(C)C)cc2)c(O)c1OC 49033029 ONZRBEUEVWXZTG-GFCCVEGCSA-N 373.449 3.457 0 1 FGAF COc1cc(C(=O)c2c[nH]c3cccc(OC)c23)c(N)c(OC)c1OC 653711365 CAKYMNIUTZJYIO-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF CCOC(=O)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795243 IDQUPLKBJUGBQB-XXFAHNHDSA-N 356.235 3.291 0 1 FGAF O=C(Cc1ccccc1)NCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587228962 VPJTVEPTBVFAAA-UHFFFAOYSA-N 363.339 3.363 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1[nH]c(C)c(CCC(=O)O)c1C)[C@@H](C2)C3=O 587440009 YFPWIKGMMLTQHQ-VBKZILBWSA-N 355.390 3.146 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=S)N(C)C)cc1)[C@@H](C2)C3=O 587449243 BYBOLVHGYSKGAD-HNAYVOBHSA-N 369.442 3.409 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CO)n2)N1 587767888 BQPYAWCBUDRUDB-XXFAHNHDSA-N 351.219 3.099 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586936367 LYDYZCQBVQTXBH-JTQLQIEISA-N 364.858 3.355 0 1 FGAF O=C1c2ccccc2-c2cc(CCN3CCOCC3)nc3ccc(O)c1c23 586987983 JQPBELDHDCPWMN-UHFFFAOYSA-N 360.413 3.027 0 1 FGAF Fc1cc(F)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587008508 LTSPVGRCPQWTJD-UHFFFAOYSA-N 350.126 3.313 0 1 FGAF CCOP(=O)(C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587451530 YYMHAFFJWIXULL-CXAGYDPISA-N 354.339 3.467 0 1 FGAF Cc1noc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587792517 ITBRLNIYLMGLRX-VXJOIVPMSA-N 354.223 3.272 0 1 FGAF COC(=O)c1cc2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2cc1OC 587069974 NQYVNYAVEJUFSN-LBPRGKRZSA-N 373.840 3.297 0 1 FGAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1OC 587075758 KEWFWLOBFVFAHJ-UHFFFAOYSA-N 355.785 3.481 0 1 FGAF COc1cccc(-c2cc(O)cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c1 587931688 CSMAXEDDKZXFCT-UHFFFAOYSA-N 367.796 3.419 0 1 FGAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C 587579672 FLEAUBHNWBIKFU-YLJYHZDGSA-N 350.374 3.311 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(O)c4[nH]3)cc12 587037314 HKCMAWWJIOYRJW-VIFPVBQESA-N 355.423 3.016 0 1 FGAF CCOC(=O)C1CCN(C(C)(C)[C@@H]2NCCc3cc(C)c(F)cc32)CC1 962378719 UMJCAVBEIKBPTA-LJQANCHMSA-N 362.489 3.375 0 1 FGAF C[C@@]1(c2ccc(C(=O)O)c(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962907125 ZSHNZKOHEZNRLB-KSSFIOAISA-N 363.772 3.040 0 1 FGAF CC(C)(C)CC(=O)N1[C@@H](COc2ccc([N+](=O)[O-])cc2)COC1(C)C 219781746 ANHIHQUAGUCXED-AWEZNQCLSA-N 350.415 3.373 0 1 FGAF biogenic CNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 149301322 GUTVZXOGCBCORY-UHFFFAOYSA-N 351.797 3.266 0 1 FGAF CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC 13644324 GQUKZMKYVNVNKR-UHFFFAOYSA-N 368.525 3.421 0 1 FGAF CCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1 13660308 VVIVTLLEYMVTFM-UHFFFAOYSA-N 351.410 3.192 0 3 FGAF COc1ccccc1CN=c1nc2sc(-c3ccccc3)nc2c(N)[nH]1 1857751834 REDHRMQBZHBARB-UHFFFAOYSA-N 363.446 3.378 0 1 FGAF COc1cc2c(C(=O)NC3CCCCCC3)cn(C)c(=O)c2cc1OC 3895596 KDTFOBUNMHOUIV-UHFFFAOYSA-N 358.438 3.008 0 3 FGAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CCCC2)n1 101550436 DCOMOTPXWHBHEY-AGODIIGFSA-N 355.482 3.112 0 1 FGAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)cc1 101074957 FXWMYWWDFVNVOA-UHFFFAOYSA-N 372.421 3.490 0 1 FGAF CCc1cc(C(=O)N[C@@H](CO)c2ccc(Oc3ccccc3)cc2)n(C)n1 103169987 UJBCYGGILZGPDF-IBGZPJMESA-N 365.433 3.238 0 1 FGAF COCC[C@@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCCC1)C(=O)O 28639862 JVVALULODDVILM-KSZLIROESA-N 359.466 3.347 0 1 FGAF O=C(OCCF)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2 101017223 VLIANQRCIMWNHF-LJISPDSOSA-N 356.235 3.186 0 1 FGAF OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CCN1C1CCCC1 22926533 PMKPTEVKXILAGY-HXUWFJFHSA-N 360.546 3.269 0 3 FGAF CCc1nc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cs1 26576945 HLQQXTPRVGKAGG-AWEZNQCLSA-N 362.476 3.221 0 1 FGAF CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2cccc(C)c2)n1 82145366 YNDCMZMJWOGAHI-HNNXBMFYSA-N 356.470 3.429 0 1 FGAF COc1ccc(/C=C/C(=O)Nc2cc3cc(OC)c(O)cc3oc2=O)cc1 299867313 QDLDZVCQXGFIDH-VMPITWQZSA-N 367.357 3.168 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)nc(C)c3[nH]2)cc1 586938987 MHHWRZCMOKDTJD-LLVKDONJSA-N 358.467 3.319 0 1 FGAF N=c1nc(O)c2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2[nH]1 587063126 PRPQXSFQTPSWCH-UHFFFAOYSA-N 351.797 3.382 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ncnn23)N1 587790476 CFNMRQZKNGKSJL-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF COC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595777 STAWYSGLIMOGNO-OXQOHEQNSA-N 356.374 3.312 0 1 FGAF O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccccc1 587554545 KNSARBGRCCKEHX-UHFFFAOYSA-N 358.357 3.355 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1CC[C@@H]2CC1=O 587605066 XDRKJMDPJZQZIP-IDWBVSAESA-N 350.370 3.482 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586962305 PSCYIXDDIHGWAM-SCSAIBSYSA-N 357.773 3.426 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cnc(Cl)[nH]c-2n1)C(F)(F)F 587091108 BLWJJTAPXFFBEP-CQSZACIVSA-N 371.750 3.121 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2N1 587125793 VAXNFXNLXYBSSE-RDDDGLTNSA-N 365.315 3.432 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586915762 HNKXLKVNPNXFLI-DYZYQPBXSA-N 372.475 3.147 0 1 FGAF Cc1ncccc1[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962660075 GAFPNCOXOXWNMJ-FCHUYYIVSA-N 361.445 3.300 0 1 FGAF CN1CCc2c(Br)cccc2[C@]12C(=O)Nc1c(F)cccc12 963290459 WDEDRKISYFCMQC-KRWDZBQOSA-N 361.214 3.272 0 1 FGAF CN1CCc2c(Br)cccc2[C@]1(CS(C)(=O)=O)C(C)(C)C 963278567 BRYZIXXBKWXEKO-MRXNPFEDSA-N 374.344 3.223 0 1 FGAF C[C@]1(c2ccnc(Cl)n2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962772289 VRCCQBHPJXKLMY-ABAIWWIYSA-N 355.747 3.039 0 1 FGAF COc1ccc(C)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772608212 VYTXPHXMCJCVLC-MRXNPFEDSA-N 353.378 3.364 0 1 FGAF COc1cccc(C2=NO[C@H](COc3ccc4ccc(=O)oc4c3)C2)c1 1772640178 AIJOEGPNFKICRG-KRWDZBQOSA-N 351.358 3.374 0 1 FGAF COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 169345203 UTJGAMJRQCMZJM-DHZHZOJOSA-N 364.445 3.001 0 1 FGAF O=C(Nc1ccc(C(=O)N2CC[C@@H](F)C2)cc1)N1Cc2ccccc2C1 166220603 GUMXLCQLALANGU-QGZVFWFLSA-N 353.397 3.418 0 1 FGAF CC[C@H](O)c1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 209357274 KTGCPVPSDFKDMQ-RISCZKNCSA-N 369.425 3.293 0 1 FGAF O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 3955720 AXWVLTPKVNUVNM-FQEVSTJZSA-N 356.491 3.368 0 1 FGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccco1)CCCC3 103219404 WVRHLGACEZALAP-INIZCTEOSA-N 354.406 3.497 0 1 FGAF O=C(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 103248834 KWHHRORFVRGNFG-UHFFFAOYSA-N 359.325 3.142 0 1 FGAF Oc1nnc(-c2ccccc2)c2nc(Br)c(Br)n12 28014241 UBXCQPGYHRWIKD-UHFFFAOYSA-N 370.004 3.022 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45CCCN4CC[C@@]12[C@H]3CC5 2356785030 RCUHTDKXOOGICH-WJMWBRGCSA-N 354.450 3.310 0 1 FGAF CC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356846761 OQKDUCUGFCYSMH-HXUWFJFHSA-N 363.417 3.081 0 1 FGAF O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cccnc1 39353700 MHIDWCCONTUAPS-QFIPXVFZSA-N 373.456 3.334 0 1 FGAF COc1cc(C(=O)c2ccc3c(O)c(OC)ccc3n2)cc(OC)c1OC 73224680 WTVFXOGBJMOANV-UHFFFAOYSA-N 369.373 3.206 0 1 FGAF COc1ccc(C[C@]2(C(=O)OCc3ccccc3)CCCN2C(C)=O)cc1 49087663 QWUPCCXKZNXDBJ-QFIPXVFZSA-N 367.445 3.362 0 1 FGAF NCCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82074913 VLMYCVXXGFSXAS-UHFFFAOYSA-N 368.233 3.495 0 1 FGAF CNc1ccc(C(=O)C2CCN([C@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1 96273557 MDFFDSDCXAZBFF-VXKWHMMOSA-N 364.489 3.151 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587442343 KHKQUZSBLRTTLZ-ORAYPTAESA-N 356.374 3.210 0 1 FGAF Cc1ccc(NC2(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CCCC2)cc1 587236945 IBTXJSJSXJXEPF-UHFFFAOYSA-N 370.478 3.400 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(F)cc(F)c21 587472801 VGWYTXFCPLJODA-IBGZPJMESA-N 359.328 3.436 0 1 FGAF CN1CCN(c2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)CC1 587016110 GMMZQYRNWATQQU-QGZVFWFLSA-N 369.494 3.290 0 1 FGAF COc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 587124104 LOPPGNRXTYUACW-GMSGAONNSA-N 352.320 3.138 0 1 FGAF O=C(NCc1nc2ccc(CCO)cc2[nH]1)c1cccc(C(F)(F)F)c1 587112207 QXYUCDOOPNXUCO-UHFFFAOYSA-N 363.339 3.047 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CCO)cc4[nH]3)cc2N1 587123294 HPOXYHUELFYIEQ-LKFCYVNXSA-N 365.359 3.269 0 1 FGAF Fc1ccc2[nH]c(=NCCCNCc3cc(Cl)cc(Cl)c3)[nH]c2n1 584905008 PLEWLGWDDKXXIA-UHFFFAOYSA-N 368.243 3.418 0 1 FGAF in-vitro N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 586997723 ROOAENMXLNGFRQ-GFCCVEGCSA-N 374.238 3.339 0 1 FGAF COc1ccc(C=O)c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1OC 587786133 IJKIHFQWHNRRQK-UHFFFAOYSA-N 369.421 3.000 0 1 FGAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(I)c2[nH]1 587961167 DKXWYHWOMDCBBT-BDAKNGLRSA-N 354.191 3.325 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587203102 NPFQVCKNVXLDDS-CYBMUJFWSA-N 374.784 3.054 0 1 FGAF COC(=O)CC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811784 XDAXKFQWZYCXFN-PWGATLRDSA-N 356.235 3.291 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(=N)[nH]c1 587862150 FTLUITRYRWXPNT-UHFFFAOYSA-N 362.311 3.074 0 1 FGAF CCN(CC)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574739 YDXFGKOLRSMKMX-GHTZIAJQSA-N 369.417 3.371 0 1 FGAF COc1ccc(CCCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC 587925385 NXHCZIRPJHTHBF-IBGZPJMESA-N 354.410 3.479 0 1 FGAF Ic1nccnc1-c1nc2ccc3ncccc3c2[nH]1 587186854 XCIZAKSKRMXOHP-UHFFFAOYSA-N 373.157 3.173 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)O)Oc3ccc(Cl)cc31)O2 587380041 OKPXBDPUTPXSQW-QFBILLFUSA-N 373.792 3.327 0 1 FGAF CC1=C[C@]2(C(=O)CN1C)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962639547 LLCIQGSPNRUKCM-XUZZJYLKSA-N 373.500 3.047 0 1 FGAF O=CN[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168856231 GZNLRQUVYFCLCG-IZAXUBKRSA-N 356.510 3.496 0 1 FGAF [C-]#[N+]c1ccc(C(=O)N[C@@H](Cc2ccccc2F)C(=O)NCCC)cc1 1857587731 FCPAQDAWXXMWIC-SFHVURJKSA-N 353.397 3.244 0 1 FGAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(F)c3)c2cc1C 1857759729 GLYMIAOGLSYVQB-UHFFFAOYSA-N 356.420 3.389 0 1 FGAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)Nc2ccccc2)CC1 2356298696 UUYKOQOYMAXIMZ-ZJOUEHCJSA-N 370.541 3.250 0 1 FGAF CCCNC[C@H](O)COc1cccc2oc(-c3ccccc3)cc(=O)c12 29554607 SEBCLUGFHNRRFD-INIZCTEOSA-N 353.418 3.199 0 1 FGAF CCNC(=O)N1CCC(Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1 28896444 KAEBPVNZHCYYSN-UHFFFAOYSA-N 364.453 3.231 0 1 FGAF N=C(N)c1ccc2c(ccn2CCCn2ccc3cc(C(=N)N)ccc32)c1 29465288 YKKWTKDVQQFYPD-UHFFFAOYSA-N 358.449 3.254 0 1 FGAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1 2356782059 CORPOBIVEWKOMG-QSOKESPWSA-N 350.455 3.171 0 1 FGAF CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 26495664 ASSFTGNZZQBCNK-ZUICRGLQSA-N 362.466 3.169 0 1 FGAF COc1cc2ncc(C(N)=O)c(Nc3cc(F)ccc3F)c2cc1OC 38463685 YMHNYVNOYXPQLO-UHFFFAOYSA-N 359.332 3.373 0 1 FGAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 837401 RCLXAPJEFHPYEG-QZTJIDSGSA-N 357.381 3.031 0 1 FGAF biogenic COc1cc(OC)cc(C(=O)N[C@@H]2CCN(C/C=C/c3ccccc3)C2)c1 36351715 KUNCBFJZBIUEAD-MBNRZODZSA-N 366.461 3.221 0 1 FGAF CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 34776065 QNKSDDQPRLWOEC-MRXNPFEDSA-N 363.460 3.326 0 1 FGAF CN(CCN1CCCCC1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 40829510 KTJPWYMYCZAMHP-UHFFFAOYSA-N 357.498 3.119 0 1 FGAF COc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1C 45283585 HZIOSWLCMNAEBB-RCRNZYILSA-N 367.493 3.202 0 1 FGAF in-vitro CC1(C)CCCN1c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 223411500 JYNVODGAIHNSGN-UHFFFAOYSA-N 361.449 3.290 0 1 FGAF COc1cc2c(cc1OC)-c1c(C)c3c(O)ccc(OC)c3c[n+]1CC2 238787930 IZWXXVXFUDCXDD-UHFFFAOYSA-O 352.410 3.390 0 1 FGAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@H]4C3)n1)CCCC[C@H]2c1ccccc1 253633312 KMYVBYYBQAUEAL-LNLFQRSKSA-N 363.509 3.105 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(C)cc31)O2 587408310 LONJNWNQQLIKGO-HXUWFJFHSA-N 351.358 3.107 0 1 FGAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587169588 ZWQMMTCEDNTMTP-LLVKDONJSA-N 363.414 3.092 0 1 FGAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NCC(=O)O 587625512 IYTCOCKIIZSWTA-UHFFFAOYSA-N 368.233 3.328 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N(C)C)nc2)N1 587753186 GOVLPPCSHSYOTM-BJOHPYRUSA-N 365.250 3.068 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\S(C)(=O)=O)[nH]c3c2)cc1 586925390 HRGGHNOLWOERPN-KTKRTIGZSA-N 372.402 3.157 0 1 FGAF O=S(=O)(c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1)C(F)(F)F 586895256 CIDAXFWKMQRFCV-UHFFFAOYSA-N 356.325 3.016 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(CCO)cc2[nH]1 587044104 ZLCRZKOMUZXRDF-INIZCTEOSA-N 373.865 3.407 0 1 FGAF N=C(N)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005806 UFTZITMHRJKMKG-UHFFFAOYSA-N 350.607 3.325 0 1 FGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc[nH]n1 118708294 QPEFOBWVTPFMTO-UHFFFAOYSA-N 356.382 3.016 0 1 FGAF CCN(C(C)=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772601401 SFMMFDZKVJLMLF-GFCCVEGCSA-N 366.425 3.213 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)NC(=O)C[C@H]32)C1 5711840 FOXNKNXXDGRBFV-PJOLERSMSA-N 359.466 3.134 0 1 FGAF O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)CN[C@@H](CF)C2 13581970 WBZQOSVIMPTQKE-OAHLLOKOSA-N 354.834 3.125 0 1 FGAF CC[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(Cc2ccccc2)CC1 13742656 ZSPUPDLIDVSXPC-SFTDATJTSA-N 355.478 3.274 0 1 FGAF C[C@H](Cc1ccc(OCC(=O)O)cc1)N1CCO[C@@H](c2ccccc2)C1 169369559 IZMPUMMFBWYGIR-OXQOHEQNSA-N 355.434 3.155 0 1 FGAF O=C(c1ccccn1)N(CCO)[C@H](c1ccccc1)c1nc2ccccc2[nH]1 206062941 ZHZLWQYDBGAAKU-HXUWFJFHSA-N 372.428 3.182 0 3 FGAF COc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C 1857578056 HJYNOPMNVGNLGP-UHFFFAOYSA-N 359.389 3.385 0 1 FGAF CCc1ccc(-c2cn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1 1857589804 WFHMYKDPZFLJNW-UHFFFAOYSA-N 356.447 3.097 0 1 FGAF CNC(=O)c1cc(Oc2ccc(-c3noc(C4CC4)n3)cc2C)ccn1 1857640955 DSWSGDBQWYQXFT-UHFFFAOYSA-N 350.378 3.469 0 1 FGAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3c2C(=O)NCC3)c1 210804107 MCKWNSLSBBIMNO-DLBZAZTESA-N 365.481 3.101 0 1 FGAF O=C(Nc1ccc(F)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523640 NJQPRLLGPWXPMV-RTBURBONSA-N 355.413 3.475 0 1 FGAF COCC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2Cl)/C1=C(/O)OC 103539571 XHWAUXIARDGMOG-NXXVSJRMSA-N 369.208 3.323 0 1 FGAF CCc1c(CC(N)=O)c2c(NC(=O)O)cccc2n1Cc1ccccc1 27563644 YMWWUCPNXAZFSN-UHFFFAOYSA-N 351.406 3.370 0 1 FGAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1 118619830 SOMLCVOFFCJGNU-DLBZAZTESA-N 361.380 3.094 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356493654 ANOICLBSJIMQTA-MHORFTMASA-N 350.455 3.027 0 1 FGAF COC(=O)[C@@H]1[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]2CC[C@H]3C[C@]21CC3=O 2356566907 YUKCRNRLXCLKOH-BOZUWZEHSA-N 362.466 3.150 0 1 FGAF COC(=O)[C@@]1(O)C=CC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@]21C 38825942 WWNYZTBMVRRLJM-JJGBUQAHSA-N 374.433 3.170 0 1 FGAF COc1c2occc2c(OC[C@@H](O)C(C)(C)Cl)c2ccc(=O)oc12 14558110 FLTPZMNZFNPZAZ-LLVKDONJSA-N 352.770 3.305 0 1 FGAF biogenic CN1CCC(Nc2cccc(S(=O)(=O)n3ccc4ccccc43)c2)CC1 35261914 MVPZRQPNMHWIGT-UHFFFAOYSA-N 369.490 3.384 0 1 FGAF CS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224790816 ZHZMTHVOQROUKI-UHFFFAOYSA-N 357.410 3.077 0 1 FGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccccc1 49036852 PHPQEIFINWDHDD-JKSUJKDBSA-N 367.836 3.123 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2O[C@@H]1[C@@H]1O[C@@H]21 195049984 UHWPQNIXJFNMHO-KECDFESISA-N 364.482 3.466 0 1 FGAF CCc1nc(NCc2ccc(OC)cc2)c(NC=O)c(-c2ccco2)n1 49807405 PQQFSBCJDLIRHJ-UHFFFAOYSA-N 352.394 3.488 0 1 FGAF O=C1CCCN1CCCNc1cc(Oc2cccc3cccnc23)ncn1 82067573 SVLCXKRXTJPWIJ-UHFFFAOYSA-N 363.421 3.242 0 1 FGAF Clc1cccc(COc2nc(N3CCNCC3)nc3ccsc23)c1 45340289 KJSCODKPPVJNBU-UHFFFAOYSA-N 360.870 3.333 0 1 FGAF Cn1c(Cl)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O 142379644 LWRPHTQDXOENKI-UHFFFAOYSA-N 360.841 3.201 0 1 FGAF S=C1NNC2(N1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N[C@H]1c1ccccc1 299846554 UKGCMHSGRPNWOO-VJANTYMQSA-N 364.518 3.167 0 1 FGAF COC(=O)c1cc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1OC 586905014 FYFJXVOCACYLGP-ZDUSSCGKSA-N 356.378 3.296 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3C)N1 587757636 HFJRIEMKZOHVMR-BMLIUANNSA-N 364.262 3.436 0 1 FGAF C[C@@H]1CN(C2CC2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580732 DEUPFAYYNZBYIJ-GIWSNZPPSA-N 351.402 3.207 0 1 FGAF COCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587772212 DYPISGPJURZEKZ-ABKXIKBNSA-N 366.234 3.148 0 1 FGAF COC(=O)c1ccc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c2n1 587928568 DPWBJANPBQOTQG-PLNGDYQASA-N 353.378 3.018 0 1 FGAF CC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587650570 ZPSYFBDMIVZJQY-UHFFFAOYSA-N 355.284 3.428 0 1 FGAF Fc1cc2c(c(Cc3nc4c(Br)ccnc4[nH]3)c1)OCOC2 587170547 CSXVOXIYHKBGFK-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF O=C1C[C@H](c2nc3c(Cl)ccnc3[nH]2)CN1Cc1ccc(F)cc1F 587151183 XDZNDMBYNFBPHR-JTQLQIEISA-N 362.767 3.406 0 1 FGAF COC(=O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042330 SEIXHDKKKGEXMW-HZPDHXFCSA-N 353.447 3.296 0 1 FGAF Nc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1CC(=O)O 587250241 QXKHRGXPQSOGHT-UHFFFAOYSA-N 351.284 3.338 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(C)cc1 587207822 XAXISMQJUJZJLK-HNNXBMFYSA-N 355.369 3.129 0 1 FGAF Cc1oc2c(c1-c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)C(=O)CCC2 586902937 CWLZTBYTXCPUFF-UHFFFAOYSA-N 364.449 3.402 0 1 FGAF CCOC(=O)C[C@]1(COc2ccc(C)cc2)NCCc2c(C)ccnc21 963066375 HCTSECUXPFFOHM-OAQYLSRUSA-N 354.450 3.072 0 1 FGAF COc1cccc(OCc2cc(C(=O)N(C)Cc3nc(C)cs3)no2)c1 12757996 WFKDTQJROKNDKW-UHFFFAOYSA-N 373.434 3.299 0 3 FGAF COc1ccc(C[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 13607911 LHEHPZIQKYMDSG-GFCCVEGCSA-N 360.406 3.488 0 1 FGAF COc1cc2c(cc1-c1coc3c(OC)c(OC)ccc3c1=O)OCO2 14645947 XSXRMXFZPXUKJE-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(=O)n2c1CCC2 203461184 GMQFESTYPYEURT-UHFFFAOYSA-N 353.296 3.147 0 3 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](O)C[C@@H]32)C1 153388696 WOLVJLISTFAJCZ-WONNUDCJSA-N 358.570 3.438 0 1 FGAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3cccnc3)[C@@H]2CC1 253665353 BEQNYRVQFZJHSB-MFPFFRNPSA-N 356.466 3.007 0 1 FGAF COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)c1 1379771 BGRNCVRONAMSEC-GOSISDBHSA-N 353.422 3.008 0 3 FGAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccccn2)C[C@@H]1C(C)C 2356317411 PVGPXZTURQHHPK-CMKODMSKSA-N 357.498 3.079 0 1 FGAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4036906 VVJSLQNHUWABLE-UYAOXDASSA-N 361.401 3.270 0 1 FGAF COc1cc(N[C@@H]2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1 4056925 YNSWZQUPNZFEFF-IBGZPJMESA-N 365.389 3.459 0 3 FGAF CCc1cc2c(cc(C(=O)OC)n2Cc2cc(=O)n3ccccc3n2)s1 6820665 NVVWWCTWIBUQQY-UHFFFAOYSA-N 367.430 3.108 0 1 FGAF O=c1[nH]c(N2CCC[C@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1 28708049 QJAPWUPTHIMARS-SFHVURJKSA-N 361.445 3.038 0 1 FGAF Cc1cc(-c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)on1 28818897 RASQBUHDLSRYGI-LBPRGKRZSA-N 358.329 3.214 0 1 FGAF Cc1cn([C@H]2O[C@@H](COCc3ccccc3)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=S 29397253 VGHNMFKDHUBHJR-FQLMCAECSA-N 368.405 3.005 0 1 FGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1ccccc1 73167283 LXOMSRZWBMVSJL-SFTDATJTSA-N 354.402 3.259 0 1 FGAF O=C(c1c(CO)oc2cc(Br)cnc12)C(F)(F)C(F)F 587276968 VTBRXFJBVNUSTB-UHFFFAOYSA-N 356.069 3.166 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4sc(=N)[nH]c14)[C@@H](C2)C3=O 587454022 ULHVNIKSMHEYQR-BUXKBTBVSA-N 352.415 3.380 0 1 FGAF CCOC(=O)[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O 587526214 SGOYCPGDFTUTFA-LAUBAEHRSA-N 358.434 3.448 0 1 FGAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc[nH]c-2n1 587092240 TXMQAHKCYZATBF-UHFFFAOYSA-N 363.221 3.326 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2cc1OC 586906036 HBFITCCPGASUKW-CXUHLZMHSA-N 350.330 3.027 0 1 FGAF Cn1cc(-c2nn(C)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513534 BREUMPPXFYONIO-LJQANCHMSA-N 362.433 3.406 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ncc[nH]c-3n1)N2 587031523 OHUSGRRYBCOSDA-WPVMNKCKSA-N 372.479 3.431 0 1 FGAF O=C(O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F 587075956 MWNIITQYARLIDJ-UHFFFAOYSA-N 357.732 3.301 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(/C(=C/N(C)C)C(=O)OCC)CC2=O 587470387 TWQYZXXONPZTGX-IZLCOFNUSA-N 361.438 3.077 0 1 FGAF Cc1cc2c(n1-c1nn(-c3ncccn3)cc1Br)CCCC2 587939202 JBQUHGUAUICRDX-UHFFFAOYSA-N 358.243 3.403 0 1 FGAF C[C@@]1(c2csc(=N)[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609733 DCMLBCRSKOJIBQ-KSSFIOAISA-N 354.387 3.138 0 1 FGAF CC(=O)NCCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388256 ZDXIRCFWYUEMSZ-OAQYLSRUSA-N 352.434 3.136 0 1 FGAF CC(=O)OC[C@@]1(c2ccc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587385796 QLJLXHPNGIERAV-LJQANCHMSA-N 361.344 3.279 0 1 FGAF COC(=O)c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cn1 587115987 IJTMPJCDTFPJHZ-UHFFFAOYSA-N 373.294 3.374 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)C(=O)OCC)C(F)F 963244616 WXHHWFPZNQMLCW-BFUOFWGJSA-N 353.409 3.326 0 1 FGAF COc1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1Cn1ccnc1 962921325 SSVJPOXVDDDYDF-NRFANRHFSA-N 365.481 3.032 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1cncc(C)c1 963194244 XTSGUPCYFPMVBL-FQEVSTJZSA-N 354.450 3.148 0 1 FGAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C\c1ccc[nH]1)C(=O)N2 1772589363 JJENJMNANJNWBJ-NTUHNPAUSA-N 358.195 3.355 0 1 FGAF Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)[C@@H]2CC[C@H]4C2)no1 11689016 LKBAKHFUNDDERC-QWHCGFSZSA-N 374.404 3.426 0 1 FGAF COc1ccc(CCNCCC[C@H]2CNc3ccccc3O2)cc1OC 13780755 SVIBWPSEDUZBLE-KRWDZBQOSA-N 356.466 3.489 0 1 FGAF CCCn1c(=O)c2nc(C([C@H]3C[C@H]3C)[C@@H]3C[C@@H]3C)[nH]c2n(CCC)c1=O 13889618 HMVSPWMLAUTJBO-CAPBHKODSA-N 358.486 3.102 0 1 FGAF CNC(=O)c1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C 1857584621 ZZOFFISWNIBUNI-UHFFFAOYSA-N 371.440 3.217 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 100728115 RLATZNIHDCUZGM-AFYVEPGGSA-N 365.429 3.300 0 1 FGAF Cc1nc(N)cc2c1cc(-c1cnc3[nH]cnc3c1)c(=O)n2C1CCCC1 103260633 BDQILVSATHMCPZ-UHFFFAOYSA-N 360.421 3.341 0 1 FGAF NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12 114347872 XWICEOXKSZMQJY-UHFFFAOYSA-N 370.416 3.479 0 1 FGAF CN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2Cl)CC1 21882283 KEPFMIZOMNTDGG-UHFFFAOYSA-N 373.840 3.042 0 1 FGAF O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1 40407726 YQHBPOJXPWDLBO-UHFFFAOYSA-N 364.493 3.322 0 1 FGAF CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(O)c4)cc(c23)C1=O 96939902 OKYFSAAVRAJNFN-UHFFFAOYSA-N 360.413 3.370 0 1 FGAF CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12 263620687 LBUBPCSKFDKKFO-UHFFFAOYSA-N 360.417 3.293 0 1 FGAF in-vitro Cc1ncccc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C 653833439 QMWHVLYNSOALAA-UHFFFAOYSA-N 367.434 3.082 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587231345 NPTPNXDXZMMLFW-KBPBESRZSA-N 352.438 3.148 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)C4CC4)n1)[C@@H](C2)C3=O 587449035 DCGRRVHDVMWFDY-UGSOOPFHSA-N 370.430 3.156 0 1 FGAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587062293 QUXREHOTUMLKEL-GFCCVEGCSA-N 365.842 3.394 0 1 FGAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C 587579968 WKUXORHSDGHWIN-QFBILLFUSA-N 350.374 3.445 0 1 FGAF COc1nccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587203363 MPCHSAMXLHSZRX-UHFFFAOYSA-N 367.409 3.484 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc(Br)ncc3[nH]2)n1 586967001 QZYIBDLVKHPLQC-UHFFFAOYSA-N 366.244 3.071 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587236390 VVGOCVLYWLHNMJ-RITPCOANSA-N 362.149 3.194 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccnc1)CC2=O 587471013 PVAASOJQWVHUPB-HXUWFJFHSA-N 354.406 3.492 0 1 FGAF Cc1cc(-c2nc3ncc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123356 DEVKFUGVEROTQS-UHFFFAOYSA-N 374.319 3.334 0 1 FGAF COCCN1CCC2(CC1)NC1(CC1)Cc1ccc(Br)cc12 961613206 GXKNADFRPOCSLB-UHFFFAOYSA-N 365.315 3.065 0 1 FGAF CC(=O)[C@]1(c2cccc(Cl)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023844 IHBWFKNBXAASGV-RNODOKPDSA-N 354.837 3.226 0 1 FGAF Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1 1772576594 ICPXGEKHEKFQJV-UHFFFAOYSA-N 374.901 3.213 0 1 FGAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCc1cccs1 5412691 ISRPQQCQSDUNKU-HOTGVXAUSA-N 371.506 3.338 0 1 FGAF biogenic Cc1ccccc1OCC(=O)NCC(=O)OCc1cccc2ccccc12 13831099 TVTSPJRELWDPMG-UHFFFAOYSA-N 363.413 3.387 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc1OC 14643953 HFKPIRGXRKMHJS-AWEZNQCLSA-N 374.389 3.436 0 1 FGAF biogenic,in-vitro CCc1cc(NCC(=O)Nc2c(O)cc(Cl)cc2Cl)c(=O)[nH]c1C 28007921 ROZISSFPVLRTOQ-UHFFFAOYSA-N 370.236 3.309 0 1 FGAF C[C@H]1C[C@H](OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22926547 SFIMEMADLNGLGG-BVSLBCMMSA-N 374.569 3.397 0 1 FGAF Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)sc2ccc(Cl)cc12 103053851 GSBBWAXEFXSVQY-SNVBAGLBSA-N 373.883 3.348 0 1 FGAF Cc1cccc(-c2cccc(COc3ccc(CCNC(=N)N)cc3)n2)n1 43025249 BVCIJDZTFJUFRP-UHFFFAOYSA-N 361.449 3.057 0 1 FGAF O=C([C@H]1C[C@@H]1c1ccc(N2CCCC2)cc1)N1CCN(C2CCC2)CC1 113833830 BXNFCHBDFLQYHZ-RTWAWAEBSA-N 353.510 3.087 0 1 FGAF COc1ccc(C[C@@H](C)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 2356647888 XCMBSKCLDDUGOR-RHSMWYFYSA-N 358.434 3.462 0 1 FGAF CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(C(C)=O)cc1 28456953 JCWBXNKJKUWVDO-UHFFFAOYSA-N 352.394 3.400 0 1 FGAF CC(=O)O[C@@H]1CO[C@@H]2C3=C[C@@H]4OC(=O)[C@]5(C)CCC[C@](C)([C@@H]3CC[C@@]12C)[C@@H]45 2356824803 GYYXRBVTJTWJGT-BHCHBANESA-N 374.477 3.411 0 1 FGAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946691 SLEIUYBAUZPTKQ-BDDIYHEHSA-N 350.499 3.293 0 3 FGAF CC(=O)O[C@H](C[C@@H](O)CCCCc1ccccc1)C[C@@H]1CC=CC(=O)O1 15112720 LIMVBVPSLMCNGN-SLFFLAALSA-N 360.450 3.344 0 1 FGAF biogenic Cc1ccn2nc(SCc3nnc(SCc4ccccc4)o3)nc2n1 40916149 IORYYGNJZSFWMR-UHFFFAOYSA-N 370.463 3.400 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072965 UNVAXRCSAVLIGW-INIZCTEOSA-N 357.479 3.331 0 1 FGAF CC[C@@H](C)c1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231316 UBKAPPMRBPLXAW-TYILLQQXSA-N 366.465 3.390 0 1 FGAF O=C(O)C[C@H](NC(=O)c1ccc2cnccc2n1)c1ccccc1Cl 223506735 VPLGSGXOPKNPKF-INIZCTEOSA-N 355.781 3.229 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3nccs3)C2)O1 96018795 CPFAMTGKIWFNDV-APWZRJJASA-N 365.543 3.305 0 3 FGAF COc1ccc(C(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 95567904 AJCSQAJYCQKXBI-UHFFFAOYSA-N 367.445 3.368 0 3 FGAF CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 95911268 NZPBUNQOXRUEEE-QDGXGCKJSA-N 366.498 3.080 0 1 FGAF biogenic,in-vitro CS(=O)(=O)N1CC2(CCN(C3CCCCC3)CC2)Cc2ccccc21 299850184 BBPHTLSLESJBJR-UHFFFAOYSA-N 362.539 3.424 0 1 FGAF COc1cccc(NCc2nn[nH]n2)c1OCc1ccc(F)cc1Cl 473124863 XMXHNRPBBLTGRM-UHFFFAOYSA-N 363.780 3.192 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1 586918357 XKEZFDSZTMJLBD-HRAATJIYSA-N 350.418 3.314 0 1 FGAF CC1(C)COC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357368 NHSCUOATAJPPLW-OXJNMPFZSA-N 356.349 3.212 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061217 RJJXHRPGWPRHDN-UHFFFAOYSA-N 374.809 3.186 0 1 FGAF Cc1noc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587590413 ZYMQLALHGHCAPI-QFBILLFUSA-N 352.346 3.047 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 587347705 POPYZYJHGLSEIZ-JBYOLUDKSA-N 353.393 3.355 0 1 FGAF O=C(O)c1ccoc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618629 VEHGIISMYIGUTH-KDOFPFPSSA-N 352.298 3.386 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)nc1/C=C/N(C)C)O2 587388109 WLBVFAJSPSKKOL-AQKVLALTSA-N 353.422 3.091 0 1 FGAF CC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193446 AMYJRNBLEVXFNQ-HNNXBMFYSA-N 360.458 3.283 0 1 FGAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cnc2[nH]1)C[C@H]1CCCO1 587197229 MLEYYPNUBOJSGQ-GFCCVEGCSA-N 350.394 3.013 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c[nH]1 587060862 OVRMWSXJTUXYEF-UHFFFAOYSA-N 365.824 3.288 0 1 FGAF FC(F)(F)c1ccn(CCc2nc3c(Br)ccnc3[nH]2)n1 587119011 VGAGMQHTCHQENL-UHFFFAOYSA-N 360.137 3.178 0 1 FGAF Cc1ccc2c(Cn3cc(-n4cnc5ccccc54)nn3)cc(=O)oc2c1 1772574448 LYFPAEBSVFBVHX-UHFFFAOYSA-N 357.373 3.080 0 1 FGAF C[C@H]1C=C(C(=O)NCc2ccccc2)O[C@@H](OCc2ccc(CO)cc2)C1 13635016 NJJYIYXRFCPOLV-HRAATJIYSA-N 367.445 3.278 0 3 FGAF CN1[C@H]2CC[C@@H](OC(=O)[C@](O)(c3ccccc3)c3cccs3)[C@H]1CC2 169336860 XGVQNYKSWMAKQT-VIPLHTEESA-N 357.475 3.152 0 1 FGAF CC(=O)Nc1cccc(N(C)CCCN2CCN(c3ccccc3)CC2)c1 169339933 CJYNYHWPJXZSIC-UHFFFAOYSA-N 366.509 3.294 0 1 FGAF COc1c(C)c2c(c(O)c1C[C@@H]1C(F)(F)[C@]1(C)CCC(=O)O)C(=O)OC2 27897570 SHJCHUDCPAFOOE-APPDUMDISA-N 370.348 3.058 0 1 FGAF O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(O)c2)cc1 103268885 MKLUZTVYROECKF-UHFFFAOYSA-N 361.448 3.262 0 1 FGAF Cc1c(N2CCC(C)CC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100894870 PKQJVEBRHDXGOQ-UHFFFAOYSA-N 355.438 3.162 0 1 FGAF CCCOC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 64539118 SSLZFXAKKAGXLV-OBYDGYHJSA-N 350.459 3.158 0 1 FGAF COc1ccc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccccc3)CC2=O)cc1 66259162 NCPPBISTNOXUPA-LEWJYISDSA-N 366.417 3.109 0 1 FGAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@H](C)O5)N[C@H](N2)N34)O1 2356823082 GIQKPLVXNCLHHV-ORBUVVROSA-N 361.530 3.216 0 1 FGAF CC(=O)Nc1cccc(Oc2ncnc(N3CCc4ccccc4C3)n2)c1 72108579 XZXSUGNLVSUPDN-UHFFFAOYSA-N 361.405 3.185 0 1 FGAF CCCNC[C@H](O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 40918372 KAFQSPVZOMLOIT-INIZCTEOSA-N 353.418 3.199 0 1 FGAF CN(C)c1ccc(-c2nnc3ccc(-c4ccc(C(=O)O)cc4)nn23)cc1 82060526 NLPKLIQBCFWYID-UHFFFAOYSA-N 359.389 3.223 0 1 FGAF O=S1(=O)C[C@@H](N2CCC(c3ccccc3)CC2)CN1C1CCCCC1 95600404 AJFYGTHIQWSHBT-FQEVSTJZSA-N 362.539 3.213 0 3 FGAF CN1C(=O)[C@@]2(CC(C)(C)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N 95605865 NDXIZMXUTQMJAP-FQEVSTJZSA-N 368.868 3.356 0 1 FGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)C[C@@H](O)[C@@H]12 255225308 KZKYFFVJJQLCMA-IEYKOTKOSA-N 372.505 3.380 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 255287706 ZRSQRFGDQDYYGF-KHQYQHGGSA-N 350.499 3.293 0 1 FGAF O=c1occ(CN2CCCCCC2)c(O)c1CN1CCc2ccccc2C1 79193230 NUGAVGMPRZDJPT-UHFFFAOYSA-N 368.477 3.280 0 1 FGAF biogenic COc1cc2c3c(c1)O[C@](c1ccccc1)(C1(C(=O)O)CC1)[C@@H](C2)C3=O 587450498 MFKLRUOWPPVEBW-BTYIYWSLSA-N 350.370 3.203 0 1 FGAF CN(C)c1ccc(-c2nc3cc(I)ccc3[nH]2)nc1 587195412 UJZYWPQIVMMEDZ-UHFFFAOYSA-N 364.190 3.296 0 1 FGAF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3cccc(F)c23)n1 587635665 KTKIKEVOBLNBIJ-UHFFFAOYSA-N 359.357 3.155 0 1 FGAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1 587022523 ZRXSOVKZOMOKGS-UHFFFAOYSA-N 360.420 3.237 0 1 FGAF COC(=O)CCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513239 IYOODHLPQHKHJP-UHFFFAOYSA-N 371.477 3.318 0 1 FGAF O=C(C1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657329 YJXRKQUDFFNCEH-UHFFFAOYSA-N 370.355 3.409 0 1 FGAF O=C(O)[C@@H]1CC(=O)N(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)C1 587213153 UCALZHAFEZXTTL-MRXNPFEDSA-N 358.397 3.438 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cn(C)c3ccccc13)O2 587390338 MHFPJRCODDNEEK-FQEVSTJZSA-N 350.374 3.014 0 1 FGAF CCn1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660052 BNIOXSITHCAIAX-UHFFFAOYSA-N 362.364 3.108 0 1 FGAF N=c1[nH]ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587183857 KAMMRELCZZFUFR-UHFFFAOYSA-N 370.581 3.295 0 1 FGAF CCOC(=O)[C@H](CC(C)(C)C)[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962891499 BPYSHFSNXOATHG-OWCLPIDISA-N 351.418 3.081 0 1 FGAF COc1ccc(F)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772619335 NLKGJGMAZCWMDD-HNNXBMFYSA-N 357.341 3.194 0 1 FGAF CCCCC[C@H](O)CC[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@@H](O)C[C@H]1O 150373589 LLQBSJQTCKVWTD-RPVYSCEOSA-N 356.503 3.267 0 1 FGAF endogenous,in-man O=C1N=C2/C(=C/c3ccccc3F)CNC[C@@H]2[C@@H](c2ccccc2F)N1 169730015 BFTGTSCUZOSWSA-NARMOILZSA-N 353.372 3.473 0 1 FGAF COc1cc2c(cc1C(N)=O)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857534973 RVDDCWOBNZOYBM-PGRDOPGGSA-N 365.477 3.247 0 1 FGAF CC=C(C)C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 2356432606 GLVOOJKVWKZSGR-INIZCTEOSA-N 358.390 3.399 0 1 FGAF CCC(=O)NS(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1 4019190 BQHVEURBNOKRCZ-UHFFFAOYSA-N 356.856 3.101 0 1 FGAF O=c1c2cc(F)c(-c3cnccn3)cc2n(C2CC2)c2snc(O)c12 28572017 VGXSEFMYPYGXAQ-UHFFFAOYSA-N 354.366 3.248 0 1 FGAF COc1ccc([C@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)cc1OC 103282670 NGHYVCYSFLWCEK-XLIONFOSSA-N 355.434 3.176 0 1 FGAF COc1ccc(-c2nn(CCC(=O)O)c3nc(C)cc(C)c23)c(OC)c1 20213720 YCEPUJKQRZGIBO-UHFFFAOYSA-N 355.394 3.207 0 1 FGAF O=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCNCC1 28704781 XJTPCVXPIDTPDS-UHFFFAOYSA-N 361.489 3.444 0 1 FGAF OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(F)ccc32)CC1 22940744 XISRGFHXAPVIRZ-CTNGQTDRSA-N 358.432 3.151 0 1 FGAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1ccccn1 2356694806 JKMFGAIHXDQTRA-LLVKDONJSA-N 357.797 3.373 0 1 FGAF COC(=O)[C@H]1CC(=O)[C@H](C(C)C)CC2=C(C)[C@H]3CC[C@@](C)(O2)[C@H]3C(=O)C1 2356807701 YAKVVHTXESEJHZ-FMOFSZGQSA-N 362.466 3.459 0 1 FGAF CN(C)C(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101518 WYOYIIWKTINZSH-SFHVURJKSA-N 358.873 3.124 0 1 FGAF CCOC(=O)/C=C/c1c(O)ncnc1Oc1ccc(Cl)cc1OC 72177624 RVLIAJQJCKIVFL-FNORWQNLSA-N 350.758 3.213 0 1 FGAF CCN(CC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066954 WFJSQXOWRMHRAP-INIZCTEOSA-N 373.457 3.110 0 1 FGAF Cc1cc(Nc2ccc(C(=O)NCCF)cc2)nc(-c2cccnc2)n1 221583846 ZBVPMVWUOAPSGL-UHFFFAOYSA-N 351.385 3.290 0 1 FGAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCSCC3)ncc2C)C1 82202610 OTTQCFJXSPWILW-ARFHVFGLSA-N 350.532 3.344 0 1 FGAF COc1cc(Br)ccc1Oc1nn(-c2ccccc2)c(=O)o1 143394119 HBMRBPXSDVLIGH-UHFFFAOYSA-N 363.167 3.389 0 1 FGAF Cn1ccnc1-c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 147421167 VXZKPCDNFCHRCY-UHFFFAOYSA-N 355.405 3.270 0 1 FGAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4C=CN(C2=O)[C@@H]13 238755433 KBQSMQIJFZDQGF-BRRGDZDMSA-N 350.418 3.210 0 1 FGAF CCCCn1c2c(cc(C(=O)NC3CCN(C)CC3)c1=O)CCCCCC2 96929217 NTSQQRGUOXVMIN-UHFFFAOYSA-N 373.541 3.131 0 1 FGAF Cc1cc(F)ccc1O[C@@H]1C=C[C@H](c2ccc3c(c2)OCO3)O[C@H]1CO 253977250 CBOKKADTZKMXAM-POAQFYNOSA-N 358.365 3.299 0 1 FGAF Sc1nnc(SCc2nc3ccc(Br)nc3[nH]2)s1 587026449 XNYLJSHKQLULBF-UHFFFAOYSA-N 360.287 3.153 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586963102 KGAAUQUTHCILGT-AWEZNQCLSA-N 369.450 3.495 0 1 FGAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cn1 587143594 AJQNLTKFBOGRBC-LLVKDONJSA-N 365.206 3.111 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586950767 LOUHRAZGBPXDIG-UHFFFAOYSA-N 366.240 3.364 0 1 FGAF N[C@H](N=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587116735 ADUTUECNPPMVJU-OAHLLOKOSA-N 364.331 3.428 0 1 FGAF CN(C)CCOc1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587057295 PBKDNNWJZHUDOM-MRXNPFEDSA-N 358.873 3.399 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cnn(C)c2)N1 587762112 XFRLRNCIQHZKBG-HWPZZCPQSA-N 352.251 3.314 0 1 FGAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587950950 FJDIDZXHVKEZFF-SCRDCRAPSA-N 351.472 3.257 0 1 FGAF C=C(NC(C)=O)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587202186 AVRKKBUKTNENIK-UHFFFAOYSA-N 352.232 3.467 0 1 FGAF O=C(O)c1cccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660631 IEHKSQNLDHDFDQ-UHFFFAOYSA-N 361.332 3.285 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn2cccnc12 587585727 HGOVJZQXWPXASL-APWZRJJASA-N 359.341 3.138 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755462 OMRXWGRFXDCPDN-PIGZYNQJSA-N 371.294 3.498 0 1 FGAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587070957 YQLAAPRVOBEHLI-SSDOTTSWSA-N 350.209 3.400 0 1 FGAF CCC(=O)C[C@@]1(CC)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703991 TYZHLVZUJXHZJX-GOEBONIOSA-N 361.335 3.418 0 1 FGAF CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1 218248371 QGXZMULGONVASD-GOSISDBHSA-N 369.442 3.405 0 1 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)ncc12 1772571842 ABPOPHDOLPXZAD-SECBINFHSA-N 372.360 3.158 0 1 FGAF O=c1oc2ccccc2c(N2CCN(c3cccc(Cl)c3)CC2)c1CO 1772579838 ONNMOBXRGBMDRB-UHFFFAOYSA-N 370.836 3.265 0 1 FGAF C[C@@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc2O1 12472368 QZEZNMUOSGMGOE-SCZZXKLOSA-N 374.673 3.120 0 3 FGAF O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCCCC1 13519771 QSWCRQMLTDDNGG-UHFFFAOYSA-N 368.389 3.124 0 1 FGAF CCN(CC)CCC(C)(C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857538952 SWEGDJWOWMVNPV-UHFFFAOYSA-N 364.497 3.431 0 1 FGAF COCC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3956242 DQRBLDKHCLDKSJ-UHFFFAOYSA-N 364.489 3.347 0 1 FGAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4902522 VLNKYDCKUWQXOO-ORAYPTAESA-N 366.417 3.027 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289453 WAEITXBTIFRCSE-SJBKTWHCSA-N 356.510 3.269 0 1 FGAF O=C(CCS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 28874855 JTTFAPOPYCJPGZ-UHFFFAOYSA-N 353.237 3.496 0 1 FGAF COc1cccc([C@H]2COC[C@]3(C2)OCCN[C@H]3c2ccc(F)cc2)c1 26568593 NJCMYNXFMAOJRW-QMMLZNLJSA-N 357.425 3.438 0 1 FGAF CCC[C@@H](C[C@H](CCc1ccc(OC)c(O)c1)OC(C)=O)OC(C)=O 2356616432 WUXDXKPKJWWNDQ-IRXDYDNUSA-N 352.427 3.387 0 1 FGAF COc1cc(O)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 14643846 YHUVYYVAPBAXIH-CQSZACIVSA-N 360.362 3.133 0 1 FGAF biogenic COc1c2ccoc2c(OC[C@@H](O)C(C)(C)Cl)c2oc(=O)ccc12 14650622 FAYBWXRPYVVJAY-LLVKDONJSA-N 352.770 3.305 0 1 FGAF biogenic CCC(CC)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](C)CN2 82211837 ORZPWGMJBGKZGP-CQSZACIVSA-N 362.518 3.425 0 1 FGAF COCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccco1 82142071 VDOCFSWRPUOFCK-UHFFFAOYSA-N 366.421 3.115 0 1 FGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(C)c2)ON1C 95588242 NSBVNGZSDFLXLU-CABCVRRESA-N 356.359 3.161 0 1 FGAF NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCC3 473135825 LKYJTRBPOCLMEB-UHFFFAOYSA-N 365.451 3.205 0 1 FGAF Nc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1N 587019504 LWGYMOSDXFPLQI-UHFFFAOYSA-N 370.463 3.088 0 1 FGAF COC(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587197584 IYZFVBCNKLKWJS-CYBMUJFWSA-N 362.430 3.309 0 1 FGAF O=C(N[C@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1 587218185 GNLAWCWNUGZASP-OAHLLOKOSA-N 363.808 3.477 0 1 FGAF CC[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441808 MXEFDWIPBIKUEY-IIBYNOLFSA-N 368.385 3.212 0 1 FGAF COc1cc(-c2nc3cncc(Br)c3[nH]2)cc(OC)c1O 587784819 JUHUIDQFFDKVSP-UHFFFAOYSA-N 350.172 3.110 0 1 FGAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C 587579969 WKUXORHSDGHWIN-VQIMIIECSA-N 350.374 3.445 0 1 FGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccnc(O)c3[nH]2)c1 587203386 NEQWNFHAPYKMCQ-UHFFFAOYSA-N 353.382 3.181 0 1 FGAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587938742 ZLQFBBMGBRNPGG-JLTOFOAXSA-N 369.465 3.349 0 1 FGAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC 587401334 WGEWWWPIKCNPDY-FQEVSTJZSA-N 357.406 3.484 0 1 FGAF N=c1[nH]cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc-2[nH]1 587067637 IIVCHDCDGHGYAW-UHFFFAOYSA-N 351.797 3.197 0 1 FGAF Cc1nc(C)c([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)o1 962659185 DTMOUZTUWXSEMQ-NHCUHLMSSA-N 365.433 3.202 0 1 FGAF Cc1c(O)ccc2c1[C@](C)(c1nc(C(F)(F)F)cs1)N[C@H](C(=O)O)C2 963473914 UGJYUDMQSSWLJK-BJOHPYRUSA-N 372.368 3.038 0 1 FGAF CC(C)Cc1ccc([C@]2(C3CCNCC3)c3nn(C)cc3CCN2C)cc1 963954102 GRZAFSFELGVFCN-QHCPKHFHSA-N 366.553 3.350 0 1 FGAF COc1cc2c(c(OC)c1OC)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C 14639598 GIEJSTKFXFRKCQ-AWEZNQCLSA-N 371.433 3.179 0 1 FGAF biogenic,in-vitro O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccc(F)c(F)c2)nn1 203462628 FHYZNAHAXSHPMT-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 59263567 AMWQFNROCOUNTL-YJBOKZPZSA-N 353.470 3.033 0 1 FGAF CCCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204818 NBTTXTORWPUYNU-SWLSCSKDSA-N 368.865 3.337 0 1 FGAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100784379 DYVYBMXIBPLUKH-JJAPJHTLSA-N 355.478 3.294 0 1 FGAF Cc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)n1 2356300013 SDLCJZXFYUYDFU-QFBILLFUSA-N 354.429 3.016 0 1 FGAF COc1ccc(OC)c2[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cc12 2356555429 UUQAOEILKFPJBT-YOEHRIQHSA-N 371.481 3.179 0 1 FGAF CC[C@H](C)O[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272639 NJTPFBVLRXJXJH-BLLLJJGKSA-N 366.849 3.233 0 1 FGAF COc1ccc(C2=C3C(=O)OC[C@@H]3Cc3ncn(Cc4ccccc4)c32)cc1 36387964 BYHPYLNCPFENFP-KRWDZBQOSA-N 372.424 3.471 0 3 FGAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 49784476 YEHUDYLWUFJTMH-UHFFFAOYSA-N 359.389 3.291 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(F)c1C)C2 225958545 RRJIHTIRVLVRFM-LLVKDONJSA-N 365.412 3.210 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC 261183119 WNBMQMMGBBWUOZ-AXMGHDGDSA-N 366.498 3.340 0 1 FGAF in-vitro Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)s1 653823152 MFKNYPKFTRCBBQ-UHFFFAOYSA-N 362.871 3.230 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587230520 HLULRFWQMKMLJK-DTWKUNHWSA-N 373.350 3.156 0 1 FGAF C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587021130 FSSFRSNPDQNUDG-RXMQYKEDSA-N 368.212 3.200 0 1 FGAF O=C(c1cc(-c2cccs2)on1)n1ncc2ccc(Cl)cc2c1=O 587653809 LNKDSXVOFDWCDF-UHFFFAOYSA-N 357.778 3.455 0 1 FGAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586881145 UHPSOBAJDHEPIJ-SOFGYWHQSA-N 363.417 3.160 0 1 FGAF COc1ccc(NC(C)(C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587201038 DXKLCIIVKACHPZ-UHFFFAOYSA-N 361.423 3.165 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027889 UDFHCMYLSQPHDM-BPUTZDHNSA-N 367.478 3.489 0 1 FGAF CCOC(=O)Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587777533 PUWXRQHPHHUSCO-UHFFFAOYSA-N 355.232 3.466 0 1 FGAF CC[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576222 IDRDXHHDBYYQCH-OXQOHEQNSA-N 350.374 3.393 0 1 FGAF Nc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587173436 VKDUWZVOMCUOJL-UHFFFAOYSA-N 353.332 3.135 0 1 FGAF Cc1c(-c2nc3ccc(CCO)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073104 BEOWVVJZLNISLB-UHFFFAOYSA-N 367.840 3.366 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(Cl)cn2)CC(=O)c2cc(C)cc(N)c2O1 587380988 ZEYKSQZKYRLVKM-IBGZPJMESA-N 374.824 3.440 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(OC)c21 587478595 BCNYBUJZVYOVNF-FQEVSTJZSA-N 353.374 3.166 0 1 FGAF COc1nccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587075529 DPGWYFRNCRITJW-UHFFFAOYSA-N 355.785 3.455 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ncccn23)N1 587775638 SOXJFESPPBJJPH-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=S)N(C)C)cc1)[C@@H](C2)C3=O 587449244 BYBOLVHGYSKGAD-KXBFYZLASA-N 369.442 3.409 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1c(OC)cc(O)cc1OC)N(C)[C@H](C)C2 962627176 KWJCORIXOPXSJQ-XUSGNXJCSA-N 373.449 3.392 0 1 FGAF CC(C)([C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)S(C)(=O)=O 962714886 UCHMTQUDLGMIHQ-MLGOLLRUSA-N 357.516 3.054 0 1 FGAF N=C(N)c1ccc2nc(-c3cc(CCN)cc(-c4ccccc4)c3O)[nH]c2c1 5974761 YYUZFCLHOQHMPT-UHFFFAOYSA-N 371.444 3.388 0 1 FGAF in-vivo CC(C)CSC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 14964989 LFONTMGBXYXFRW-KYNGSXCRSA-N 360.523 3.094 0 1 FGAF CCN1C(NCc2ccc(Cl)nc2)=C([N+](=O)[O-])[C@H](C)C[C@@H]1OC(C)C 169306437 VQAPFDYWQUEKTQ-DOMZBBRYSA-N 368.865 3.383 0 1 FGAF COC(=O)[C@@H]1[C@H](C)N(Cc2ccccc2)C(=O)N[C@@H]1CCc1ccccc1 169355736 XUMFBWVLWILAGJ-PWIZWCRZSA-N 366.461 3.391 0 1 FGAF O=C1NCC2=Nc3ccccc3N[C@H](c3ccc(Br)cc3)[C@@H]12 169691157 PMYQZECIWLZFGN-JKSUJKDBSA-N 356.223 3.434 0 1 FGAF CNC(=O)[C@@H](CCCCCCC(=O)Nc1cnc2ccccc2c1)N=O 169724765 BKZCDTWYVBUYRW-QGZVFWFLSA-N 356.426 3.395 0 1 FGAF CC[C@@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C 2459963 UVRWZUHNSALYJO-GFCCVEGCSA-N 364.467 3.054 0 1 FGAF O=C1Nc2cc(C(=O)N3CCCCC3)ccc2S[C@@H]1N1CCCCC1 3006206 BCYIWCQGPMSHCU-IBGZPJMESA-N 359.495 3.169 0 1 FGAF CCCO[C@@H]1CCC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N1C 103217827 SHEIRXNPRQLHDO-MRXNPFEDSA-N 368.865 3.481 0 1 FGAF COc1ccc(NC(=O)[C@@H]2C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100906905 GAKWIJXVOUCJFJ-YRISNDGFSA-N 366.417 3.004 0 3 FGAF O[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1 29481104 AJYISZHHXVAAEK-IBGZPJMESA-N 360.885 3.292 0 1 FGAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356444112 KOVVNLGWYFWXGC-VQIMIIECSA-N 355.413 3.311 0 1 FGAF COC(=O)C=C1C[C@@H]2[C@H]3O[C@H]1O[C@@]31CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]21 2356782454 FEYZLWQQBSLKES-JSQWHZNYSA-N 360.450 3.021 0 1 FGAF COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 38459482 OUZKJGOSIGMDHS-UHFFFAOYSA-N 374.658 3.308 0 1 FGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C=C[C@@](C)(CC[C@H]23)[C@@H]4O)[C@@]1(C)CO 13376754 SXYKDXPLOKBHTK-HXJSQAPKSA-N 362.510 3.460 0 1 FGAF biogenic C=C1C(=O)C2=C[C@H]1C[C@H](O)C(=O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2OC(C)=O 15116722 BPMWBOSKRGOILK-YKQMIWISSA-N 374.477 3.156 0 1 FGAF biogenic C[C@H](CO)NC(=O)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1 40934408 IUVOJBNHXGJEII-SNVBAGLBSA-N 355.221 3.078 0 1 FGAF COCCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190282 RBUXVICZACFCIR-UHFFFAOYSA-N 355.423 3.406 0 1 FGAF O=C(c1coc(-c2cccs2)n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 82081418 ZXPSBPDPSULKDR-AWEZNQCLSA-N 373.478 3.268 0 1 FGAF COC(=O)[C@H]1COCC[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]21 238766574 JDJVJTFQJVKZQS-XYPHTWIQSA-N 350.418 3.139 0 1 FGAF COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1O 146164957 VFKMFBKLVZCHAM-CQSZACIVSA-N 366.373 3.103 0 1 FGAF C[C@H]1CN2C[C@@H]3CC[C@@H]4CCC=C4[C@]4(CCC(=O)O)[C@H]2[C@H]1CC[C@]34CO 238768940 QFJIDODJONXZLG-KFLJVBEWSA-N 359.510 3.307 0 1 FGAF Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C 146718520 JJAGIHLMZAAAQP-OAQYLSRUSA-N 371.408 3.273 0 1 FGAF O=C(C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1cccs1 473084765 UMJGFBAJTRMQFT-OAQYLSRUSA-N 374.421 3.270 0 1 FGAF O=C(C[C@H]1C(=O)Nc2ccccc2[C@H]2CCCN12)OCc1ccccc1 473128616 CXNGRDVKBQHCLE-MOPGFXCFSA-N 350.418 3.278 0 1 FGAF CCc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccccn1 653671925 FSHYISFSADYNOI-UHFFFAOYSA-N 356.389 3.190 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2cccs2)N1 587847464 KWVBOSKATZLYAW-BJOHPYRUSA-N 355.276 3.386 0 1 FGAF O=C1CCC(c2ccccc2)(c2nc3nc(Br)c[nH]c-3n2)CC1 587970689 MRZGRLHILGCOIZ-UHFFFAOYSA-N 371.238 3.496 0 1 FGAF Clc1ccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)nn2)cc1 587074940 BJKUNSGICZDZEC-UHFFFAOYSA-N 353.769 3.235 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 587781201 SDHQQUPEXAKKLO-YFHOEESVSA-N 371.462 3.043 0 1 FGAF O=C(O)c1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618627 VEHGIISMYIGUTH-KBXCAEBGSA-N 352.298 3.386 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@]1(c4cccc(F)c4)CCOC1)[C@@H](C2)C3=O 587428327 MFLGAVMWAAJLRZ-ZLGUVYLKSA-N 354.377 3.309 0 1 FGAF Cc1oc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963034435 RIUMQEYVHSEYAJ-DYZYQPBXSA-N 361.239 3.493 0 1 FGAF CCn1cc(-c2cccc(F)c2)c(=O)c2cc(F)c(N3CCNCC3)cc21 1772639000 UJMBKUNECOEKNW-UHFFFAOYSA-N 369.415 3.376 0 1 FGAF Cn1ccnc1CNC(=O)Cn1c(-c2cccs2)cc2ccccc21 1772631974 TUNDWEPBBZFASQ-UHFFFAOYSA-N 350.447 3.420 0 1 FGAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(C)cc23)N1 1857544246 FVOJXOIBWGXZFD-SFHVURJKSA-N 371.437 3.389 0 1 FGAF COc1cc(Cn2cnc3c(Cl)nc(Cl)nc32)cc(OC)c1OC 1857633046 TWHQJJSBCUJKIN-UHFFFAOYSA-N 369.208 3.207 0 1 FGAF CC1(C)[C@H](CNC(=O)N2CCCCC2)C[C@H]1CNC(=O)N1CCCCC1 2502261 CLWQZFANUTXBSZ-IRXDYDNUSA-N 364.534 3.040 0 1 FGAF O=C(Nc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccccc1 4018919 LPQKOVDADYNDOZ-FDCRZUCXSA-N 360.413 3.474 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2ccccc2)N(C)[C@H]31 103675275 LEXMKBIUBIUDRP-YYWHXJBOSA-N 374.488 3.345 0 3 FGAF O=S1(=O)N[C@@H](CC2CCCCC2)COc2cc(Br)ccc21 61943354 HIHVFVSITAYHPL-ZDUSSCGKSA-N 374.300 3.459 0 3 FGAF CC(C)N1CCN(Cc2c[nH]c3cc(C(=O)N4CCCCC4)ccc23)CC1 64527732 NCQXIAVHPHPHPN-UHFFFAOYSA-N 368.525 3.320 0 1 FGAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356444110 KOVVNLGWYFWXGC-LPHOPBHVSA-N 355.413 3.311 0 1 FGAF Cc1cc([C@@H](O)[C@@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)ccc1O 28952031 CYEOKZJIXIYTOM-QRWLVFNGSA-N 359.441 3.245 0 1 FGAF COc1cc2c3c(c1OC)-c1cc(NC(C)=O)ccc1C[C@H]3N(C)CC2 1911574511 ZKWZUVGPRUXMER-QGZVFWFLSA-N 352.434 3.414 0 1 FGAF COc1cc2c(c3c1OCO3)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2 14488377 KCYVBPCJWBVYJQ-SMDDFHAHSA-N 370.401 3.217 0 1 FGAF biogenic O=C1O[C@](CO)(COC(=O)C2CCCCC2)C/C1=C/C1CCCCC1 45498335 FTGGWNQYVKVTHH-ZZODWALSSA-N 350.455 3.295 0 1 FGAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)cc1OC 195218441 BPAKSIHVBSJWKO-IONDEXAJSA-N 369.461 3.224 0 1 FGAF O=[N+]([O-])OCCNCCCCCNc1c2c(nc3ccccc13)CCCC2 40829313 GHDICATYJWELDK-UHFFFAOYSA-N 372.469 3.494 0 1 FGAF Oc1cccc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)c1 82179471 NUZXTCOYNVYNNQ-INIZCTEOSA-N 365.437 3.200 0 1 FGAF CCOC(=O)N1CCC(Nc2cc(-c3cccc(OC)c3)ncn2)CC1 82160876 LAGIXSDTTZQNFX-UHFFFAOYSA-N 356.426 3.185 0 1 FGAF Cc1noc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(Cl)c4)[nH]c23)n1 143001908 BCZCGUJXXNNYGA-UHFFFAOYSA-N 362.176 3.355 0 1 FGAF COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1 95581972 PEWABPMWMWMWQY-UHFFFAOYSA-N 359.389 3.385 0 1 FGAF Cc1ccc(N(O)C(=O)NCCCCNC(=O)NC2CCCCC2)cc1 68586759 HJZWKOSQEIQECL-UHFFFAOYSA-N 362.474 3.312 0 1 FGAF biogenic CCN1C(=O)C[C@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587759994 NKKVABKDAURQIJ-QGHHPUGFSA-N 367.262 3.474 0 1 FGAF Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758918 YZFCPDDUHJHCKK-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn3ncccc23)N1 587791009 DZCXMIJOVSUYFC-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cs1 587021113 IDBRDCFTUYAMIZ-UHFFFAOYSA-N 373.239 3.270 0 1 FGAF FC(F)(F)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586907363 GCGFIKZJMCOBBC-UHFFFAOYSA-N 351.122 3.260 0 1 FGAF COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403122 JXPKSHNUPFCHMG-YEJXKQKISA-N 369.417 3.256 0 1 FGAF Cc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 587024161 OUKOMMOMTDYSHW-UHFFFAOYSA-N 364.434 3.356 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(C)cccc21 587486761 LCTPEDBSYDMBNK-OAQYLSRUSA-N 351.402 3.490 0 1 FGAF Nc1ccnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587184140 OIZIQUPEURYJHG-UHFFFAOYSA-N 370.581 3.465 0 1 FGAF C=C(NC(C)=O)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587203859 OYSSUXUNZZBQSX-UHFFFAOYSA-N 351.362 3.249 0 1 FGAF Cc1c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903105 GYIMLCKYMQBUEK-QGZVFWFLSA-N 367.449 3.333 0 1 FGAF O[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1Cl 587057520 ARYHDCDEUHLRRK-GOSISDBHSA-N 357.841 3.130 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C)c1Cl 587871339 UFUFCEYEODGSAF-UHFFFAOYSA-N 362.792 3.472 0 1 FGAF O=C([C@H]1Cc2ccccc2[C@H](c2cnc3ccc(F)cn23)N1)C(F)(F)F 962704838 DIRZLKCZXALBMW-CZUORRHYSA-N 363.314 3.209 0 1 FGAF C[C@]1(c2occc2Br)N[C@H](C(=O)O)Cc2cccc(F)c21 962917257 FRERZDNHXKFNKQ-NHYWBVRUSA-N 354.175 3.044 0 1 FGAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccccc2)cc(OC)c1OC 1772658199 YTSBWVYQOVUZHS-DLBZAZTESA-N 356.418 3.287 0 1 FGAF COc1ccc(-c2n[nH]cc2CN(CCO)Cc2cccs2)c(F)c1 11819598 YZRSKCBBOQUONY-UHFFFAOYSA-N 361.442 3.280 0 3 FGAF Cc1ccc2c(c1)CN(CC(=O)N[C@@H]1CCc3ccccc31)C[C@@H](C)O2 11839522 OVYAQLXZAVFDFG-OXQOHEQNSA-N 350.462 3.382 0 1 FGAF CC(=O)NCCc1c(Br)[nH]c2cc(Br)ccc12 13781226 BFMKBWZQDWGKFW-UHFFFAOYSA-N 360.049 3.372 0 1 FGAF COc1ccc(N2C(=O)C(=O)N(Cc3ccccc3)C2=S)cc1Cl 1857647799 LTFKCADTOLMJAZ-UHFFFAOYSA-N 360.822 3.009 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049665 QXGVCVQHTRFICG-RCLSDMTESA-N 364.445 3.198 0 1 FGAF COc1ncc2nc(-c3cccs3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238904 LUDYUQXKZYIGPO-UHFFFAOYSA-N 368.393 3.111 0 1 FGAF CCc1oc(C)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26578357 PKBDGUAJCSHDHW-INIZCTEOSA-N 360.435 3.061 0 1 FGAF C[C@H](CCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356345678 XUGAOOQYBZSMCP-QLCXLMDBSA-N 358.475 3.010 0 1 FGAF NC(=O)c1cccc2c(NCc3ccccc3Br)ncnc12 114345470 XBWRYZUAYNGMPJ-UHFFFAOYSA-N 357.211 3.103 0 1 FGAF COc1cc(C=CC(=O)O[C@@H]2C[C@@H]3[C@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O 2356501112 OFDLBJAQGFWTKC-ORPDJEOSSA-N 359.466 3.180 0 1 FGAF COC(=O)[C@@H]1[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]2CC[C@H]3C[C@]21CC3=O 2356566908 YUKCRNRLXCLKOH-FFFLUGRYSA-N 362.466 3.150 0 1 FGAF COC(=O)[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@](C)(C(=O)OC)[C@@H]12 2356703248 SUTLCIJKBGLHOW-SEONNTABSA-N 358.434 3.397 0 1 FGAF Cc1cccnc1CN1C[C@H](F)[C@H](OCc2nc3ccccc3n2C)C1 2356703322 XMUHALYTURLGKF-HNAYVOBHSA-N 354.429 3.016 0 1 FGAF CCOc1cc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OCC 34858164 CPKJARDSQUNPJM-UHFFFAOYSA-N 374.824 3.189 0 1 FGAF CNc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)ncc12 210841962 RIBJTISRZQKZRV-NVXWUHKLSA-N 366.425 3.041 0 1 FGAF Cc1ccc(COC(=O)N2CCC(CN(C)c3ncccn3)CC2)cc1 35259171 IQPLYVYZAILDSZ-UHFFFAOYSA-N 354.454 3.270 0 1 FGAF CO[C@@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 13411685 UUUXPUGZNDRYSV-WHSLLNHNSA-N 370.401 3.164 0 1 FGAF biogenic COc1ccc2c(c1)OC[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49046980 JIZKJDRPIQFNMN-AWEZNQCLSA-N 373.416 3.329 0 1 FGAF CCc1nn(Cc2cccc(Br)c2)c(CC)c1CC(=O)O 84652194 KDMWLZGZZULJQY-UHFFFAOYSA-N 351.244 3.446 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5cncnc5)n4)CCC3)cc2)cn1 149723956 XXFRSNHWFUMTMD-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccnn3C)nc1-2 143044440 DLFAYAIQVUCISF-UHFFFAOYSA-N 371.448 3.428 0 1 FGAF O=C(Cn1cc(-c2cccc(C(F)(F)F)c2)nn1)NCc1ccccc1 473145979 BZPSYGVQCIWJDA-UHFFFAOYSA-N 360.339 3.280 0 1 FGAF CC(=O)C(C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811861 HXSHMCKEZGXEFZ-PWJLMRLQSA-N 356.235 3.132 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnccc2[nH]1 586985373 VHZUSWXIHVNOEA-AWEZNQCLSA-N 359.227 3.140 0 1 FGAF Cc1cc(Br)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 587256066 AYTHNENGGUVVBX-LLVKDONJSA-N 368.275 3.235 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N(C)C)n2)N1 587739414 BDSKDQFOVLGHQJ-BJOHPYRUSA-N 365.250 3.068 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn3cccnc23)N1 587794439 MQPYLZKFDAOBBA-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(C=O)cc1OC)[C@@H](C2)C3=O 587443291 NOZAGTBBFWUESB-XOBRGWDASA-N 354.358 3.014 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2C(=O)O)N1 587788985 AVWCLOACBPSGKY-NXSYQRQQSA-N 353.191 3.238 0 1 FGAF CC1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COCOC1 587607568 HZXHGRDPTHBRFD-OXQOHEQNSA-N 356.374 3.123 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 586950495 IGLVQEPSHWRQMK-UHFFFAOYSA-N 359.407 3.078 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cnn(C)c1C)CC2=O 587476181 QDFPRKCCXZHVHW-RQWLHQTBSA-N 369.465 3.323 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(O)c(Br)c1)[C@@H](C2)C3=O 587412885 KBCTXRVZWGKOMI-ZUZCIYMTSA-N 362.179 3.047 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C 587762487 FOJLCXMSGUDPOT-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF CSc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186790 UKYLVTVAKWUOSS-UHFFFAOYSA-N 368.203 3.346 0 1 FGAF O=S(=O)(CCc1nc2ccnc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 586920004 CNTVVCOOFOKGBK-UHFFFAOYSA-N 361.854 3.116 0 1 FGAF Cc1csc([C@@]2(C(F)(F)F)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963036478 XOZQTNJQODJCAJ-QFYYESIMSA-N 367.396 3.311 0 1 FGAF Oc1ccc(C2(c3ccc(O)cc3)NCCc3nc4ccccn4c32)cc1 962981955 IKTSSKUNVPVNSJ-UHFFFAOYSA-N 357.413 3.183 0 1 FGAF CCN1CC(C(=O)N[C@@H](C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 218274921 ALSUALXMUDUBLA-JTQLQIEISA-N 371.264 3.105 0 1 FGAF O=C(O)c1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O 1772581645 ZPUILILFYNENNR-UHFFFAOYSA-N 362.183 3.341 0 1 FGAF Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)co1 13812867 FNIONCZMHPLPSM-UHFFFAOYSA-N 371.340 3.258 0 1 FGAF O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1 8578391 VJGLHLGZWDBMHV-UHFFFAOYSA-N 373.456 3.068 0 3 FGAF CC(C)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 52913644 KWQABTFOSCSTPG-CQSZACIVSA-N 369.868 3.187 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2O[C@H]1[C@H]1O[C@H]21 100992017 UHWPQNIXJFNMHO-REBZCHMSSA-N 364.482 3.466 0 1 FGAF CCOC(=O)c1ccc(OCCCCC(=O)c2cc(C=O)n(C)c2)cc1 27649208 SZCPOFPXTZWMJN-UHFFFAOYSA-N 357.406 3.446 0 1 FGAF O=C(O)CC[C@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648195 RACKESAPXGJXEQ-MAUKXSAKSA-N 367.449 3.425 0 1 FGAF COc1ccc([C@@H](O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 28524949 BFMVLFRBLSHGFU-OALUTQOASA-N 357.450 3.365 0 1 FGAF O=C1CCCCc2cnn3c(NC4CC4)nc(nc23)Nc2cccc(c2)N1 29129113 HIJNSOUPEZHEMC-UHFFFAOYSA-N 363.425 3.107 0 1 FGAF in-vivo CCCN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114347056 JMRKPAKRFAWCSB-GOSISDBHSA-N 363.465 3.224 0 1 FGAF COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66080586 QLPMSDMAJQBZGK-AWEZNQCLSA-N 374.400 3.041 0 1 FGAF Brc1cccc[n+]1C/C=C/C[n+]1ccccc1Br 36382674 UAIMUFWNISZXOX-AATRIKPKSA-N 370.088 3.043 0 1 FGAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C\[C@@H](COc2ccccc2)O1 195144499 ZWESPJLQSOQNEF-SEXWAMTESA-N 372.461 3.022 0 1 FGAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccccn1 199714423 CZLMREIIWUVEJC-KRWDZBQOSA-N 357.841 3.046 0 3 FGAF CN1CCC/C=C\CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O 95921418 XARNDFBZFLICCU-IHWYPQMZSA-N 351.830 3.455 0 1 FGAF in-vitro COc1ccc2c(=O)c(/C=C/C(=O)NCc3ccc(F)cc3F)coc2c1 95588459 GQFKPKLCVJLUGN-XVNBXDOJSA-N 371.339 3.409 0 1 FGAF NC(=O)O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 95579040 LAWPPIQNECCPAI-IBGZPJMESA-N 357.429 3.174 0 1 FGAF CCOc1cc2nc(=S)n(C[C@H]3CCCO3)c(O)c2cc1OCC 253621260 CCFWRLHSCUPZHI-LLVKDONJSA-N 350.440 3.448 0 3 FGAF Cc1cc2c(-c3cccc4[nH]ncc34)cnc(NC3CCNCC3)c2nc1O 473136156 YHKSBZORCLMJLH-UHFFFAOYSA-N 374.448 3.351 0 1 FGAF CCNC(=O)NC[C@@H]1CCc2c(OC)cccc2N1Cc1ccccc1 473111500 BIRNOEALVWVAKS-KRWDZBQOSA-N 353.466 3.336 0 1 FGAF Cc1cc2[nH]c(-c3cncc(I)c3)nc2c(C)n1 587185310 RSALXTGFWMQBRG-UHFFFAOYSA-N 350.163 3.241 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COC(C)=O)c1)[C@@H](C2)C3=O 587443897 QNCZNUWPLCHYIV-KKSFZXQISA-N 368.385 3.256 0 1 FGAF O=C1CCc2cc3nc(-c4cc(Br)cnc4F)[nH]c3cc2N1 587177839 BUHNBLNJPGQZQZ-UHFFFAOYSA-N 361.174 3.411 0 1 FGAF CN(Cc1nc2ccc(Cl)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929308 SXBJSNBDQDLRFO-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF CCOC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595997 MMTVXSUYWLNUQL-AVBTWRTFSA-N 368.385 3.456 0 1 FGAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CC[C@@H]5N)[nH]c4c3)o2)cc1 587246082 BZNTWZIDMGYMOU-GJZGRUSLSA-N 361.405 3.493 0 1 FGAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402793 HTRRQDMYMKBJOG-HXUWFJFHSA-N 355.390 3.311 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587257098 ZEVWFRZOGAXTRP-SNVBAGLBSA-N 361.339 3.322 0 1 FGAF Cc1ncccc1[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962660083 GAFPNCOXOXWNMJ-VXKWHMMOSA-N 361.445 3.300 0 1 FGAF CCOC(=O)C[C@@]1(COc2ccc(C)cc2)NCCc2c(C)ccnc21 963066372 HCTSECUXPFFOHM-NRFANRHFSA-N 354.450 3.072 0 1 FGAF O=C(O)c1cccc2c1CCN[C@]2(C(F)(F)F)C(F)(F)Br 963122879 NLIXRODRZUPJAM-JTQLQIEISA-N 374.103 3.276 0 1 FGAF COc1cccc(CC2(CO)CCN(C(=O)NC3CCCCC3)CC2)c1 13594214 XIRRDHSHNHLDAF-UHFFFAOYSA-N 360.498 3.355 0 3 FGAF COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 13813553 QXGJGLQOJFSBPP-ZDUSSCGKSA-N 374.389 3.171 0 3 FGAF COC(=O)[C@@H]1[C@@H](OC)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 14886881 OSHUAWJIVOSKAB-ORGPVJSWSA-N 368.477 3.301 0 1 FGAF O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F 14967281 DKTPAKMQCCCINA-UHFFFAOYSA-N 352.234 3.308 0 1 FGAF CN(C)CCCOc1ccc2nc(N)n(-c3cccc(N(C)C)c3)c2c1 169328346 MGIKCXGVEVGHPW-UHFFFAOYSA-N 353.470 3.004 0 1 FGAF COc1cc(/C=C2/C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 156526561 MHLQLQUSZZCRFB-WNLSXJKCSA-N 370.401 3.217 0 1 FGAF COc1cc(OC)nc(Sc2cc(C(F)(F)F)ccc2C(=O)O)n1 1857606335 VCBCLRFXJKVRDE-UHFFFAOYSA-N 360.313 3.362 0 1 FGAF CC(=O)N1c2ccccc2N(Cc2ccccc2CC(=O)O)C[C@H]1C1CC1 1857754389 XMMXYNUZMFRSPF-NRFANRHFSA-N 364.445 3.465 0 1 FGAF CCc1ccc(CNC(=O)CN2C(=O)[C@H](CC)Oc3ccccc32)cc1 2933118 YRGLOPZUGZTVNQ-SFHVURJKSA-N 352.434 3.069 0 1 FGAF Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 101212751 VAGPGGUKQAOKIE-DSIZOQBWSA-N 372.852 3.174 0 1 FGAF COc1ccc(OC)c(NC(=O)Nc2nc([C@H](N)C(C)C)cs2)c1 61930332 DRWHBBYHVKZGLA-CQSZACIVSA-N 350.444 3.460 0 3 FGAF OCCN1CCN(C2=Nc3cc(Cl)ccc3Oc3cscc32)CC1 29342103 IPBDWMSJZFBYIZ-UHFFFAOYSA-N 363.870 3.195 0 1 FGAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)OC)[C@H](O)C[C@H]1O 2356654104 NVANLIMPYROZFD-WKWVNEEDSA-N 370.530 3.355 0 1 FGAF N=C(Nc1ccccc1I)N[C@H]1C[C@H]2CC[C@@H]1C2 34362824 DQLPGROTTLXECV-CWSCBRNRSA-N 355.223 3.416 0 1 FGAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 38214863 JLCSWZSZKHXXJU-UHFFFAOYSA-N 363.460 3.258 0 1 FGAF Cc1ccccc1C1=N[C@](C)(CC(=O)NCCc2ccccc2)ON1C 74374600 UNTIYLMLHSPULM-NRFANRHFSA-N 351.450 3.084 0 3 FGAF COc1ccncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12 84655536 IYDOPXDHGIQJRR-UHFFFAOYSA-N 363.352 3.420 0 1 FGAF COc1cccc(C2=NCC(=O)N3CCc4c(C(C)=O)cccc4C3=C2)c1 149140797 VAZRQUNHPIWREG-UHFFFAOYSA-N 360.413 3.126 0 1 FGAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccc(O)c4)c3)c2c1 140938933 AESLRNLRFZGXNY-UHFFFAOYSA-N 372.384 3.287 0 1 FGAF O=C(O)Cc1ccc(Nc2ncc(Cl)c(NC[C@@H]3CCCO3)n2)cc1 299852456 SILGAQUZKUAGNB-ZDUSSCGKSA-N 362.817 3.092 0 1 FGAF COC(=O)Nc1nc2cc([S@](=O)c3c[nH]c4ccccc34)ccc2[nH]1 299825452 MGLKDSMOSYVXCI-VWLOTQADSA-N 354.391 3.389 0 1 FGAF CCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1 299862052 JCEVRRCFHIHFBT-UHFFFAOYSA-N 354.815 3.249 0 1 FGAF COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)C[C@@H]2C)cc1 653833464 ZSFMXCOTHLFJEM-HNNXBMFYSA-N 353.422 3.074 0 1 FGAF Fc1cc(Cl)cc2nc(-c3nccnc3I)[nH]c12 587186907 YZDQGINORDRCTG-UHFFFAOYSA-N 374.544 3.417 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)c(F)c2[nH]1 587193933 IYYZVTAGUQFLHO-GFCCVEGCSA-N 354.401 3.359 0 1 FGAF Nc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1N 587221271 UXXDDUOWTYBPIP-LJQANCHMSA-N 357.417 3.247 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(C)(=O)=O)cc1 587873022 TWSNMFSHSTYFLS-UHFFFAOYSA-N 360.410 3.481 0 1 FGAF COc1ccccc1CC(=O)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587930740 PJHJZKSGFQXCHS-UHFFFAOYSA-N 350.353 3.322 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4c(C)cccc41)[C@@H](C2)C3=O 587449555 CGQNKCWZSOFZOA-LHSJRXKWSA-N 364.353 3.007 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)cs1 587022412 WURRGEPVQRFHGT-OAHLLOKOSA-N 350.407 3.490 0 1 FGAF COc1ccccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652398 QWIKGVHOSTZFFC-NSHDSACASA-N 358.781 3.166 0 1 FGAF CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1O 1772590286 DMVXLCOFFLHXJS-UHFFFAOYSA-N 368.477 3.182 0 1 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C)c12 1772589509 SVOQSLTVJQFJSI-SNVBAGLBSA-N 368.397 3.327 0 1 FGAF CC(C)(C)S(=O)(=O)Cc1nc(-c2cc3ccccc3[nH]c2=O)cs1 14974788 MDBILLYJMIJRSL-UHFFFAOYSA-N 362.476 3.365 0 1 FGAF COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](CC(C)C)C2 1857654522 GTUAPZGEEDWLMQ-CYBMUJFWSA-N 357.406 3.374 0 1 FGAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NC2CCCC2)C[C@@H]1C(C)C 2356310893 SMFDXVYZGWKJRD-JENIJYKNSA-N 364.530 3.053 0 1 FGAF COc1ccc(-c2coc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1 103234515 ZOSRSBBLPCCTHG-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF Cc1ccc(/C=C2\CNC[C@H]3[C@@H](c4ccc(C)cc4)NC(=S)N[C@@H]23)cc1 103231021 YQCQZYAJJOSYON-SCVXHMHQSA-N 363.530 3.494 0 1 FGAF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccccc1C(F)(F)F 28125729 AYXZUEYPGPRDIR-RISCZKNCSA-N 372.391 3.060 0 1 FGAF COc1ccc(-c2nc(C(=O)O)c(CN)o2)c2ccc(C(F)(F)F)nc12 28950192 IHMWNEDJZVJGDQ-UHFFFAOYSA-N 367.283 3.074 0 1 FGAF C[C@H](c1ccccc1)N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 2117214 VJKHLBNQKFPUQD-JLTOFOAXSA-N 359.429 3.025 0 1 FGAF biogenic N[C@@H](Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1 73417515 PQGHNFKUZUGOKQ-NRFANRHFSA-N 362.429 3.274 0 1 FGAF O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1O 72183977 KQQZSUCDRHHIEY-UHFFFAOYSA-N 356.422 3.215 0 1 FGAF CC(C)Oc1cc(N2CCOCC2)nc2c(-c3cccnc3O)nccc12 1911581938 PTRQGKXVMMTABG-UHFFFAOYSA-N 366.421 3.021 0 1 FGAF Cc1ccc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)o1 82180818 UMBWPXAWCQXSIF-AWEZNQCLSA-N 353.426 3.396 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCCN(C)C)c1)[C@@H](C2)C3=O 587430531 VGCAFUVQKCMREQ-AVRDEDQJSA-N 367.445 3.298 0 1 FGAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771670 CHGQPRDBVWOGLI-JDNHERCYSA-N 350.235 3.484 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)c(F)c(F)c2[nH]1 587193898 HUXPFPKOOFTQOJ-SNVBAGLBSA-N 372.391 3.498 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)ccc(F)c21 587469679 BVDOXPJFHMFHLP-IBGZPJMESA-N 359.328 3.436 0 1 FGAF O=C(O)CSc1ncccc1-c1nc2cnc(C(F)(F)F)cc2[nH]1 586966927 LSTDVRFJUVQQAW-UHFFFAOYSA-N 354.313 3.215 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(N4CCOCC4)c1)[C@@H](C2)C3=O 587424700 SJQBUPYMAXNNOY-YCRPNKLZSA-N 369.392 3.160 0 1 FGAF N=C(N)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900086 CCMWAVCPKTVONL-UHFFFAOYSA-N 360.373 3.498 0 1 FGAF Oc1nccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000601 IJFHPYVTFFUQDN-OWOJBTEDSA-N 374.194 3.368 0 1 FGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)C(C)(C)C 587202580 BIYAYGTYELZRGJ-CQSZACIVSA-N 360.458 3.144 0 1 FGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc(Cl)s2)N1 963001598 ZKLYKOHKYZDXOU-WRWORJQWSA-N 365.188 3.416 0 1 FGAF COc1ccccc1C[C@@]1(C(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963112498 TTZUMYFPFBAEOS-KKSFZXQISA-N 355.409 3.377 0 1 FGAF COC(=O)c1ccc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1 963059838 VFLKZIDMMLIOKF-JOCHJYFZSA-N 362.429 3.439 0 1 FGAF O=C1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 14638040 BADTYSQKXNDGFG-OALUTQOASA-N 364.353 3.327 0 1 FGAF biogenic C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc3c(c2)OCO3)N[C@@H]1c1ccc2c(c1)OCO2 169303786 DNMVOMDRHGSSGO-ZDEMKHDWSA-N 367.401 3.371 0 1 FGAF COc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F 207836138 SGJXCKCBCGRUQQ-UHFFFAOYSA-N 369.331 3.330 0 1 FGAF C[C@@H]1CC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857646892 AWLUNBKNRADLNR-IUODEOHRSA-N 358.388 3.302 0 1 FGAF Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 1911776 CEDBTJYQDBHURZ-IBGZPJMESA-N 353.422 3.055 0 1 FGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cnc(C)c12 6718845 CIAROHKHYKMXOX-UHFFFAOYSA-N 350.401 3.436 0 1 FGAF O=c1c2ccccc2nc(-c2ccccc2)n1NCCNCc1ccccc1 103175113 JXPZNVASAPGAMJ-UHFFFAOYSA-N 370.456 3.397 0 1 FGAF COc1ccc(-c2noc(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1 20516007 BJDPJMJHXGBEMV-OAHLLOKOSA-N 365.433 3.425 0 1 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64446759 YCQVEVOYEWUITM-DXIQSLLYSA-N 358.397 3.473 0 1 FGAF O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12 29127399 RNXYTBTYYPYNEV-SYMSYNOKSA-N 372.218 3.269 0 1 FGAF CN(C(=O)c1cc2ccccc2o1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28530924 OBAUTCBNHLMCFH-RBUKOAKNSA-N 364.445 3.313 0 1 FGAF C[C@@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C[C@H]1CCCO1 20387429 RMDHLNCVMLJHSG-GCJKJVERSA-N 370.493 3.072 0 1 FGAF COc1cc2c(c(O)c1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 2356660419 GBUQJVLCWBIHSU-ZDUSSCGKSA-N 371.433 3.179 0 1 FGAF O=C(c1cccc(F)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 74378419 HZUHGERMGNYSMC-DOMZBBRYSA-N 362.763 3.493 0 3 FGAF CC(=O)N1CCC[C@]1(Cc1ccc(F)cc1)C(=O)OCc1ccccc1 49087748 XBNKNACFODRULP-NRFANRHFSA-N 355.409 3.493 0 1 FGAF CCCCn1c(CC)c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O 84596864 YFGAGFNYHCKTGR-UHFFFAOYSA-N 362.470 3.037 0 1 FGAF COc1ccc(OC)c(CCNc2nc(N3CCC[C@H]3C)ncc2C)c1 82202732 GZMRDWMPGISYPX-OAHLLOKOSA-N 356.470 3.446 0 1 FGAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 142975076 XBSGAUCAECNNOD-GJZGRUSLSA-N 359.437 3.140 0 1 FGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N(C)c1ccccc1 299836125 GOZSENPTLKSNBH-UHFFFAOYSA-N 363.797 3.133 0 1 FGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587259327 CQWKTBFFNCLACM-LBPRGKRZSA-N 366.318 3.062 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(C1CCNCC1)[C@@H](C2)C3=O 587430046 YSZXSUTZMBEMBY-AVRDEDQJSA-N 367.420 3.477 0 1 FGAF CC(C)[C@@H](c1nc2cc(=N)[nH]cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198296 FBHLIHOQXXMMJA-KRWDZBQOSA-N 353.426 3.336 0 1 FGAF O=C(CCCCCO)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658307 KPLFLURPBVPJHX-UHFFFAOYSA-N 354.381 3.396 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(CCO)cc3[nH]2)C(F)(F)C1 587132195 MNRLDMHSKFQNNC-GFCCVEGCSA-N 367.396 3.067 0 1 FGAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1OC 587057804 RSGVGUQKHBREEU-CYBMUJFWSA-N 359.813 3.254 0 1 FGAF C[C@]1(CC(=O)Nc2ncccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587511300 JRRFKXXGKKRYMX-HXUWFJFHSA-N 351.406 3.108 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(CO)cc2[nH]1 587042074 HKOSTSCWGQIJJP-OAHLLOKOSA-N 359.838 3.364 0 1 FGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962956579 YNGBSJADIRHREC-NVMYHKGLSA-N 352.434 3.343 0 1 FGAF COc1cc2c(cc1OC)[C@@](C=C(N)N)(C1CCCCC1)N(C)[C@@H](C)C2 962638023 OOGMCNQWSQBHDX-LHSJRXKWSA-N 359.514 3.115 0 1 FGAF C=CC(=O)NCCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 1772640194 BLZZMBDYKHPYCZ-UHFFFAOYSA-N 356.422 3.293 0 1 FGAF CNC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610502 BYUQVYKTTSKXNL-GAWRCDSNSA-N 357.494 3.362 0 1 FGAF COc1cc2c(cc1OC)C1=Cc3ccc(OC)c(OC)c3[C@@H](O)N1CC2 14620312 XQCLUPWMBVLJKO-OAQYLSRUSA-N 369.417 3.082 0 1 FGAF biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1ccnn1 169232260 AHVYAIROTKFJIX-KZVLABISSA-N 354.498 3.498 0 1 FGAF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 169340713 KHRSDHBNJFBBLC-DMAKZPCZSA-N 356.466 3.344 0 1 FGAF O=C(c1ccc(F)cc1F)N1CCn2nc(COc3ccccc3)cc2C1 168074986 CFKXVMRXBWBPOO-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF CC[C@H](C)C[C@@H](C)C(=O)O[C@@]1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O 2356343575 SGMQQYJUDLVNTG-ZDCWMAILSA-N 361.394 3.249 0 1 FGAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccsc1 29219687 BTSCXZZTZWNWEK-QAPCUYQASA-N 362.520 3.130 0 1 FGAF CN1CCN(Cc2ccc3c(c2)Cc2c(Nc4ccccc4)n[nH]c2-3)CC1 28642326 FJLWCLQJYLNHGF-UHFFFAOYSA-N 359.477 3.472 0 1 FGAF COc1ccc([C@@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259675 YZCPEPBZYIZWJR-XIKOKIGWSA-N 357.406 3.445 0 1 FGAF CCC(C)=CC(=O)O[C@H]1[C@@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C[C@H]1O 2356460117 JYNXJPVNPSRXFL-UVZISWSZSA-N 362.466 3.313 0 1 FGAF O=S(=O)(c1ccc(O)cc1)N(CCC(F)(F)F)c1ccc(O)cc1 72124547 RMLDUHAMOFYZJD-UHFFFAOYSA-N 361.341 3.246 0 1 FGAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(F)cc1F)C2 36384252 FUTZYCZWYLKUAN-BLLLJJGKSA-N 364.392 3.248 0 3 FGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@]1(c2ccccc2)CCNC1 49037146 INDPYWCMGKQCEY-HXUWFJFHSA-N 367.836 3.051 0 1 FGAF CC[C@H]1CN2CC[C@]3(CNc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238737960 PZTSJGMDSOZBEK-DBYDNMFLSA-N 370.493 3.174 0 1 FGAF CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13[C@@H](O)C[C@@H]1[C@@](C)(CO)CCC[C@@]1(C)[C@@H]3CC2 238755835 NHTHQAOIQLEDDF-BUKJFHBCSA-N 362.510 3.460 0 1 FGAF CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(C)C)c2n1 653894774 DUAFIYPXHSCOJA-UHFFFAOYSA-N 366.465 3.160 0 1 FGAF Brc1cccc(Cc2nnc(Cn3nnc4ccccc43)o2)c1 653723307 QTECPMMUJBSGJI-UHFFFAOYSA-N 370.210 3.216 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1S(C)(=O)=O)O2 587411157 XZAYJNSQZNPGPU-AWEZNQCLSA-N 365.838 3.341 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)cc2[nH]1 587201981 FBQHYAFFDRVJRJ-HNNXBMFYSA-N 357.341 3.144 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cccnc1 587867902 QHGSPWFMHSFDCE-UHFFFAOYSA-N 362.311 3.250 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCCC4=O)c1)[C@@H](C2)C3=O 587445746 XVUHDHZOWRBPAN-JTSKRJEESA-N 363.413 3.485 0 1 FGAF CCOC(=O)C[C@@]1([C@H]2CCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534557 FDNHWGSDDPDIJG-YCRPNKLZSA-N 358.434 3.259 0 1 FGAF CCOC(=O)CC[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587520892 BPSICJYTKHLPJX-NRFANRHFSA-N 374.433 3.176 0 1 FGAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1 587584303 ZNKYQKDOEGDVNC-PXNSSMCTSA-N 350.374 3.311 0 1 FGAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 587167291 LMKWPUCYHCESIC-LBPRGKRZSA-N 360.780 3.466 0 1 FGAF Cn1cc(I)c(-c2cc3c4c(cccc4n2)CC3)n1 587212879 LWIKQPHEBZGICN-UHFFFAOYSA-N 361.186 3.339 0 1 FGAF Nc1c(-c2nc3cnnc(O)c3[nH]2)sc2cc(Br)ccc12 587031302 NAFLJLXBOJIDHD-UHFFFAOYSA-N 362.212 3.285 0 1 FGAF COC(=O)C[C@@H]1CCCC[C@@]12NCCc1cc3cccc(OC)c3nc12 963050371 CVWKLDBFDWVFOD-HRAATJIYSA-N 354.450 3.338 0 1 FGAF CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(C(F)(F)F)c1 13489774 KVPNOVRBBQDQQE-UHFFFAOYSA-N 355.316 3.214 0 1 FGAF COc1ccc(C[C@H]2C(=O)OC/C2=C/c2ccc3c(c2)OCO3)cc1OC 15119272 NEEJYTHQOJOWJT-NXADEVLQSA-N 368.385 3.232 0 1 FGAF N=C(CCc1ccccc1)[PH](O)(O)C[C@@H](Cc1ccccc1)C(=O)O 169717703 KMXOFAKHUQDJMO-QGZVFWFLSA-N 361.378 3.104 0 1 FGAF C=CC(=O)N1CC[C@H](n2cc(-c3cc4ccccc4o3)c3c(N)ncnc32)C1 1857619373 RVDPIUBBAZZMPR-AWEZNQCLSA-N 373.416 3.386 0 1 FGAF NC(=O)c1sc(N2CCOCC2)cc1O[C@@H]1CCCc2ccccc21 1857761855 CPAKSSZBKUYQDP-OAHLLOKOSA-N 358.463 3.140 0 1 FGAF COc1ccc(OC)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1 101444599 IIBZGDZRQNVEKX-HZPDHXFCSA-N 370.449 3.222 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356477994 OYLNTXTUFZDPQX-GGPKGHCWSA-N 362.539 3.331 0 1 FGAF COc1ccc([C@@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251501 KLFAJLHIJQPMNJ-ZMZPIMSZSA-N 373.405 3.151 0 1 FGAF COc1ccc2c(c1OC)OC[C@@H](c1ccc(OC)c(OC)c1OC)C2 3197566 AXXBADPZGFAAHF-ZDUSSCGKSA-N 360.406 3.448 0 3 FGAF biogenic,in-vitro NC(=O)c1cccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c1 72185077 KHSMTVXJHDGDQQ-IBGZPJMESA-N 372.346 3.484 0 1 FGAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-n2cccn2)C1 219417953 FOJCRLUHUOKKHV-UHFFFAOYSA-N 374.231 3.168 0 1 FGAF O=C1C[C@H](c2ccccc2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 30543324 UZCNJAMQHDXXDV-OAQYLSRUSA-N 362.473 3.441 0 1 FGAF Cc1ccc(C2=Nn3c(CCc4ccc(O)cc4)nnc3SC2)cc1 72128580 LIBXCJAQKSDUSV-UHFFFAOYSA-N 350.447 3.435 0 1 FGAF Cc1nc2ccc(F)c(-c3cc(C(N)=O)c(C)[nH]3)c2nc1NC1(C)CC1 222342222 UQNXDCLXUSCERQ-UHFFFAOYSA-N 353.401 3.444 0 1 FGAF COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccccc1)CC2 82155776 YHPMXJVGQUFUON-UHFFFAOYSA-N 368.477 3.272 0 1 FGAF O=C(NC1CC1)c1ccc(N2CCC[C@@H](COc3ccccc3F)C2)nc1 45195424 XJGQMMFQWUJUKY-OAHLLOKOSA-N 369.440 3.408 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)NCc3ccccc3F)coc2c1 95587331 XADDMBIRGOCXDI-RMKNXTFCSA-N 353.349 3.270 0 1 FGAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1 140157026 GUCPCLZTZMRAFR-UHFFFAOYSA-N 355.401 3.260 0 1 FGAF Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)cccc1C(F)(F)F 95565445 WBVRIDGDBSZIBV-HNNXBMFYSA-N 354.372 3.174 0 1 FGAF C[C@@H]1C=CCC(=O)NCc2cccc(c2)CNC(=O)N[C@@H]1c1ccccc1 299813914 KSBGAXIOHACUNA-IERDGZPVSA-N 363.461 3.439 0 1 FGAF O=c1cc(-c2ccc3nn[nH]c3c2)[nH]c2c(-c3ccc(Cl)cc3)cnn12 653667433 LUCHERZUVNSYEF-UHFFFAOYSA-N 362.780 3.281 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)s1)[C@@H](C2)C3=O 587450330 JKQVVDFXVPAKFL-ISVAXAHUSA-N 352.209 3.403 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586884861 JNJJZXJUCZWSCN-CYBMUJFWSA-N 363.483 3.258 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc[nH]1 587866474 KPCKZIDCBBCMSG-UHFFFAOYSA-N 350.300 3.379 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCC2)N1 587756168 QGRQZHRHFMAFLH-BJOHPYRUSA-N 355.251 3.080 0 1 FGAF COC(=O)c1cc2nc(C(=O)Nc3ccccc3Cl)[nH]c2cc1OC 587060247 HPIOZWAUUYXXSH-UHFFFAOYSA-N 359.769 3.264 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1NC=Cn2cccc21 587584871 ASLPKKBVSBYDAT-WAOWUJCRSA-N 360.369 3.297 0 1 FGAF COC(=O)[C@H]1CCc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587397838 BVGIZPAFWKAFQI-IIBYNOLFSA-N 351.402 3.173 0 1 FGAF CCCOc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Br 586923810 WNKQOWBXAQMUCO-GQCTYLIASA-N 359.245 3.130 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC2(C)C)N1 587833403 NBHQMAWOVBQQJB-ZKANADHPSA-N 370.218 3.095 0 1 FGAF CC(C)c1nn(C)c2c1[C@@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)NCC2 962923061 XYYONIRDNYVEFF-GOSISDBHSA-N 374.851 3.152 0 1 FGAF CCc1ccc(NCn2nc(Cn3cc([N+](=O)[O-])nc3C)oc2=S)cc1 206872630 RPSIUYRTVKCIEV-UHFFFAOYSA-N 374.426 3.299 0 1 FGAF Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cn1 1772635987 YFWUCNSQZDMOQH-SFHVURJKSA-N 358.873 3.395 0 1 FGAF O=C(c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1)N1CCCC1 1857597189 NJCCNGVDEPTRSQ-NBVRZTHBSA-N 360.413 3.270 0 1 FGAF COc1ccc2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)cc3)oc2c1 2356412385 OUWLIMPHYWPASK-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF O=C(CSc1nnc(COc2ccccc2)o1)N[C@H]1C[C@H]2CC[C@@H]1C2 4833333 XWHDROLVRNMLEI-GUTXKFCHSA-N 359.451 3.046 0 1 FGAF COc1ccccc1-n1c(SCC(=O)OC(C)C)nc2cccnc21 4853479 KETDAUTXUMDECT-UHFFFAOYSA-N 357.435 3.473 0 3 FGAF CCc1nnc(NC2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)s1 6797138 PEFZEFUSRDALQY-UHFFFAOYSA-N 368.871 3.339 0 1 FGAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4cncnc4)C[C@@H]2N3)cc1 100108116 PQDQNYFYDRGGNI-JKHIJQBDSA-N 356.473 3.392 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 100682682 SLKDSLAWMQSCJY-USNPWTNRSA-N 369.527 3.134 0 1 FGAF COc1cc(-c2cc(=O)oc3cc(OC)c(OC)c(OC)c23)ccc1O 27631924 YFGXTEDPBIPCGO-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1C(=O)c1ccccc1 27088740 SGUMDAUVFBPSNU-WMLDXEAASA-N 357.793 3.438 0 1 FGAF Cc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1 114110275 JMTUUCQFHFIXQP-HXUWFJFHSA-N 369.444 3.301 0 1 FGAF O=C(O)[C@@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 66251179 RUMVFXVYQUEURX-FUHWJXTLSA-N 351.431 3.328 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 64624409 UEOHDZULNTUKEK-ZJZGAYNASA-N 374.532 3.085 0 1 FGAF endogenous,in-man O=C(c1ccccc1F)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 74377437 AWMLGLFYTQMFOP-ABAIWWIYSA-N 362.763 3.493 0 3 FGAF COc1cc(-c2c(C)noc2C)cc2c1NC(=O)[C@]2(O)c1ccccc1 219475784 POGMONAOOKLRFD-FQEVSTJZSA-N 350.374 3.155 0 1 FGAF CCc1nc(C(=O)N[C@H](C(=O)NCC2CCCCC2)C(C)C)cs1 82070034 PIVNKQNYGWPUOC-INIZCTEOSA-N 351.516 3.156 0 1 FGAF COc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2 40864105 GFDIOSFYUDYNIA-UHFFFAOYSA-N 352.365 3.265 0 1 FGAF COc1ccc2nc(Nc3nc(=O)c4ccc(F)cc4[nH]3)nc(C)c2c1 40934816 DZSGUCDTRCDKLL-UHFFFAOYSA-N 351.341 3.066 0 1 FGAF CC(C)[C@@H](CO)NC(=O)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@@H]1C 95868001 SMAKSIRAOYBZMX-QYRPDUKASA-N 368.477 3.317 0 1 FGAF NC(=O)CCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144794572 GNPUCIARHIGCCR-SFHVURJKSA-N 365.351 3.500 0 1 FGAF CC(C)(C)c1nnc2sc(COc3ccc(Cl)cc3)nn2c1=O 299827696 HCTJFMROUTYTNW-UHFFFAOYSA-N 350.831 3.076 0 1 FGAF COc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(OC)c1C 587786134 CSXBBEPSUGXINC-UHFFFAOYSA-N 367.449 3.388 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 587950779 CLMOGYPFJLIGCN-IDKOKCKLSA-N 354.501 3.008 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccco2)(C(=O)O)N1 587832196 ZITROCZMKZYPBO-XXFAHNHDSA-N 368.202 3.238 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(F)cc2[nH]1 587260476 YUCOHWQEAABFML-HNNXBMFYSA-N 356.401 3.408 0 1 FGAF COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587594826 PEHMGIIOKSEXSA-KXBFYZLASA-N 354.358 3.066 0 1 FGAF COC(=O)[C@@H](C)[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398234 DHAQBYMMPIFGJC-ASSNKEHSSA-N 369.417 3.256 0 1 FGAF COC[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836664 XCNFDXYLNONWJY-DIFFPNOSSA-N 372.278 3.391 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1N1CCOCC1)O2 587381320 GYZXDSYZUMNQBQ-OAQYLSRUSA-N 370.424 3.434 0 1 FGAF CNc1c(F)cccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587135978 UMOANBBOLJDIHS-UHFFFAOYSA-N 364.384 3.470 0 1 FGAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587061360 FDRMFBXXOTVKOP-CQSZACIVSA-N 365.842 3.394 0 1 FGAF COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587803831 CAGXLZAAPJSBMG-VFZGTOFNSA-N 356.235 3.291 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc12 587108563 BJIIMVNHMVIJAB-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1C)[C@@H](C2)C3=O 587421002 JFWCYIHCYGVTJQ-ZUZCIYMTSA-N 352.312 3.245 0 1 FGAF Cc1cc(-c2nc3ccncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124148 IUTSZQBADJNQBJ-UHFFFAOYSA-N 356.329 3.195 0 1 FGAF CC1=C[C@]2(C(=O)CN1C)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962639556 LLCIQGSPNRUKCM-ZJSXRUAMSA-N 373.500 3.047 0 1 FGAF COc1cccc(N2CCC(CNC[C@H]3COc4ccccc4O3)CC2)c1 13799902 DUTPDVWPQWRHMS-FQEVSTJZSA-N 368.477 3.341 0 1 FGAF CCOC(=O)c1c(N2CCN(c3ccccc3)CC2)[nH]c2ccc(O)cc12 14978434 QGWCKJXCAOSANX-UHFFFAOYSA-N 365.433 3.377 0 1 FGAF CN1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857639628 WFBMCRAHZICBCU-HNNXBMFYSA-N 373.403 3.191 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=CCCCC(=O)O)C[C@@H]21 2356387983 NCYSTSFUYSFMEO-NLNMYJFZSA-N 350.455 3.185 0 1 FGAF CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2CCF)cc1 117788301 KJOFQXMNMBGKHT-INIZCTEOSA-N 350.434 3.114 0 1 FGAF CNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28365225 YRXNGNOLUNOCTD-UHFFFAOYSA-N 352.365 3.356 0 1 FGAF CN(C)CCc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 27323392 KBIWZLHMPZZHBK-UHFFFAOYSA-N 365.868 3.376 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 2356536629 ZRSQRFGDQDYYGF-VHDXBSCKSA-N 350.499 3.293 0 1 FGAF CC=C1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@H]2CO[C@H]1OC 2356726389 ZIFOXHSDBNOQNJ-JIYIMXKPSA-N 352.434 3.179 0 1 FGAF CC(=O)c1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1 36380193 KNVBOZXKUXBZHJ-UHFFFAOYSA-N 368.447 3.236 0 3 FGAF O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(/C=C/C3CC3)cc12 45285546 OLLSIGPBXQELDV-XGACYXMMSA-N 367.474 3.128 0 1 FGAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)C1 82203921 ZATDNGGJPFESOO-IGKNDFSCSA-N 362.518 3.404 0 1 FGAF COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 40891948 MPWSPRAQUFVMBN-UHFFFAOYSA-N 351.280 3.323 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc4ccccc4n3)C2)cc1 142316623 APAINKVVRJWNDT-AWEZNQCLSA-N 362.433 3.095 0 1 FGAF COc1c([C@@H]2CO[C@H]3C=C(O)C=C(O)[C@H]3C2=O)ccc(O)c1CC=C(C)C 263614306 GBQGFJSECZVLKZ-ZYSHUDEJSA-N 372.417 3.475 0 1 FGAF in-vitro COc1ccc2c(=O)n(Cc3cc(OC)c(OC)c(OC)c3)ccc2c1 653771352 XJHDDLCMDGUVHL-UHFFFAOYSA-N 355.390 3.084 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cncc(C)c4[nH]3)cc12 587036909 BHBMMQWBTOWCHK-JTQLQIEISA-N 354.439 3.014 0 1 FGAF CC1=C(c2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)NNC(=O)C1 586896405 DXPYPFWGMYPJFK-UHFFFAOYSA-N 360.417 3.104 0 1 FGAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccco2)[C@@H]1c1ccc(F)cc1 587359819 ZVUOVHUSQXNBNA-XLIONFOSSA-N 368.316 3.463 0 1 FGAF Clc1cc(I)cc(-c2nc3cnncc3[nH]2)c1 587183309 CCBVXRQIYNYFCE-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF COC(=O)C(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587621346 BJNJMUWESMAZSQ-UHFFFAOYSA-N 358.142 3.380 0 1 FGAF N=c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c[nH]1 586960923 QYHMMXUISJINIK-AREMUKBSSA-N 362.458 3.409 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CO)c2)N1 587829777 YAILZIAAJZWQMV-XLFHBGCDSA-N 366.230 3.410 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587759773 MTRRPFRGGKUQPS-BMLIUANNSA-N 367.262 3.474 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(F)(F)F)n(C)n1)[C@@H](C2)C3=O 587424444 YVCHBRBLGGCGMK-QFYYESIMSA-N 352.312 3.110 0 1 FGAF C[C@H]1CN(C2CC2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587760885 MQVVCFMGRYNSMD-RVPKQNPDSA-N 353.279 3.432 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nc2)N1 587773695 RHOCWRFDDZVCJN-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 587764160 OOUZXDDDPNWRGQ-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccn3n2)N1 587796136 PIZYWPLCURQMLL-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF C=CN1CCCC[C@@H]([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587445989 ZTAVRPLOSJXRLT-YVHKJVDXSA-N 367.445 3.364 0 1 FGAF CCCn1c(=O)c2[nH]c([C@H](CC)Cc3ccccc3)nc2n(CCC)c1=O 12405516 ZYANKMSONHAKJX-MRXNPFEDSA-N 368.481 3.443 0 1 FGAF CCCCC/C=C\C[C@@H](O)[C@H](O)[C@@H](O)/C=C\C/C=C\CCCC(=O)O 12495376 GOHNIXDAQODZKP-PBJOALPWSA-N 354.487 3.353 0 1 FGAF endogenous,in-man Nc1ncnc2c1C(=O)N(c1ccc(-c3ccccc3Cl)cc1)CCO2 169324817 SSYVJWDKKDSKBE-UHFFFAOYSA-N 366.808 3.418 0 1 FGAF C[C@@H]1CCC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762667 PFDBNPNOCYZVAO-IUODEOHRSA-N 358.388 3.445 0 1 FGAF COc1ccc(-n2nc(C)n(CCSc3cccc(F)c3)c2=O)cc1 58603502 QKWNEQMTSUGFGO-UHFFFAOYSA-N 359.426 3.282 0 1 FGAF CCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216407 LBNXYRXOAIVQOR-UKRRQHHQSA-N 368.865 3.385 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C(C)(C)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 27764292 VOSRVIUBTJSQSK-DUZJROSDSA-N 367.489 3.350 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26011048 QLCCLDYVHHUAQQ-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccco1 5413999 SEUCFFWPLINLFB-WMZOPIPTSA-N 354.450 3.474 0 1 FGAF biogenic Cc1cc(-n2cc(C(N)=O)nc2C)cc(OCc2cccc(Cl)c2)n1 36352024 ZCNGUTRDVSCUJO-UHFFFAOYSA-N 356.813 3.215 0 1 FGAF COCc1c(O)cc(C)cc1Oc1c(C)c(C(=O)OC)c(O)c(C)c1O 14653303 HIIMSMBCINXEDY-UHFFFAOYSA-N 362.378 3.454 0 1 FGAF biogenic O=C(Nc1ccc2c(c1)CC[C@@H](O)[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 40861044 OPIRGJRMKUMHMK-MSOLQXFVSA-N 356.809 3.414 0 1 FGAF Cc1cc(-c2cn(C)c(=O)c3ccoc23)cc2cn(C3CCNCC3)nc12 1911572513 ZDDPECPWLZOLGO-UHFFFAOYSA-N 362.433 3.381 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@H]1CCC[C@@](C)(O)[C@H]1O3 85595072 AYNGSAXKNKEGEG-ZPDQPEGFSA-N 372.417 3.327 0 1 FGAF biogenic,in-vitro C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccc(Br)cc1 40872320 ZVYACUOAYWWOQQ-VFZGTOFNSA-N 371.300 3.259 0 1 FGAF O=C(Cc1ccccn1)N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 95592409 VCOQFJAAFNPRJD-ROUUACIJSA-N 371.868 3.135 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)NCCc3ccc(F)cc3)coc2c1 95587429 BIECKCACBIWTPK-RUDMXATFSA-N 367.376 3.313 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)no2)N1 587798338 UWUDREPKRGAEFC-MLXNANBUSA-N 369.190 3.072 0 1 FGAF CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1OC 587809807 JLTGLOVCIBHIEC-JSTZJWCRSA-N 358.251 3.142 0 1 FGAF Cc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br 586967302 WWBGBVGKLFJIFH-UHFFFAOYSA-N 367.228 3.127 0 1 FGAF COC(=O)[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596151 UVKJTXCKIQKNLU-SLSDUTBNSA-N 354.358 3.066 0 1 FGAF Nc1ncc(Br)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495972 HHPUSBQMKSVKOA-ZDUSSCGKSA-N 374.238 3.407 0 1 FGAF O=C(CCc1nc2cc3c(cc2[nH]1)OCCCO3)Nc1cccc(F)c1 587163184 NYNZCFGISAMAIO-UHFFFAOYSA-N 355.369 3.435 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCOCC4)nc1)[C@@H](C2)C3=O 587434747 ARFKVMPFTCLDFK-HRAATJIYSA-N 367.401 3.137 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963603989 CUZAGQKYZUNOIN-YEJXKQKISA-N 373.449 3.336 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1 1772649374 LMNPVLPTMHQXMA-CYBMUJFWSA-N 350.426 3.441 0 1 FGAF CN(C)Cc1ccc(-c2cnc(NCc3ccccc3)n3cnnc23)cc1 1772573855 OUYFEHCZNNETPR-UHFFFAOYSA-N 358.449 3.465 0 1 FGAF COCCCOc1cccc([C@@H]2NC(=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726017 IBKMWBNOXGSSRZ-MSOLQXFVSA-N 364.401 3.168 0 1 FGAF COc1ccc2c(Cc3cncc(C(=O)O)n3)c(-c3ccccc3)nn2c1 205658715 OVLDKUXVQHVONU-UHFFFAOYSA-N 360.373 3.089 0 1 FGAF FC(F)(F)c1cccc(-c2nc(N=c3cc[nH]cc3)c3cccn3n2)n1 1857763316 XAYJYEKCJLSWSF-UHFFFAOYSA-N 356.311 3.371 0 1 FGAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N(C)CCc1ccccn1 2356350377 BBXZOFXEHGDZEN-GFCCVEGCSA-N 357.435 3.166 0 1 FGAF CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)OCCN1CC1)c1ccc(O)cc1 27901500 JHHLJBWTEKQBOL-UXHICEINSA-N 355.434 3.234 0 1 FGAF Cc1nc2ccc(N3C(=O)CS[C@H]3c3ccc4c(c3)OCO4)cc2[nH]1 28652019 ZIIUEMRMAXUCQW-SFHVURJKSA-N 353.403 3.379 0 1 FGAF C[C@H](NC(=O)c1cccn1C)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356301689 CHEDBIUAYVUIEJ-JTQLQIEISA-N 357.341 3.008 0 1 FGAF CCn1c([C@@](C)(O)CS(=O)(=O)CC)nc2cc(Cl)c(Cl)cc21 28890412 MSOUOPCNXONPMC-AWEZNQCLSA-N 365.282 3.005 0 1 FGAF Nc1ncnc2c1c(Cc1cccc3ccccc13)nn2CC1CCNCC1 58655566 MMRLNUFECMEMSQ-UHFFFAOYSA-N 372.476 3.152 0 1 FGAF in-vitro COC(=O)c1ccc(N(C)C(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)cc1 26832595 BQYAQGCZKXUPDS-UHFFFAOYSA-N 367.449 3.499 0 1 FGAF CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCC[C@H](C(=O)O)C3)n2n1 79025893 ZNSFOUVIQWOBLK-JTQLQIEISA-N 370.375 3.347 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2O[C@@H](CCCCC(=O)O)C[C@@H]12 39343918 RJADQDXZYFCVHV-CXUCIQJCSA-N 354.487 3.283 0 1 FGAF C[C@@H]1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc2n(c1=O)CCS2 1911570828 XMNPMQXHPBJBLZ-QMTHXVAHSA-N 353.447 3.250 0 1 FGAF O=C(Nc1ccc2c(c1)CC[C@H](O)[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 40379837 OPIRGJRMKUMHMK-ROUUACIJSA-N 356.809 3.414 0 1 FGAF COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(F)cc2C1 40933809 XGZZOAPITWLKJY-AWEZNQCLSA-N 367.380 3.414 0 1 FGAF CC(=O)N1CCn2c1c(C(=S)Nc1ccccc1)c1ccccc1c2=O 40891670 CCHDESUTGQYANU-UHFFFAOYSA-N 363.442 3.156 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@@H](c1cccc(F)c1)N1CCN(C)CC1 95603436 YZXYBTBCFQTDMP-HXUWFJFHSA-N 355.457 3.370 0 3 FGAF C[C@@H]1[C@@H](NC(=O)Cn2ncc3c4ccccc4nc-3c2O)CCC[C@H]1C 299872702 PBQMNORLDQPJJW-WWGRRREGSA-N 352.438 3.183 0 1 FGAF C[C@H](OCn1c(COCc2ccccc2)cc(O)nc1=O)c1ccccc1 653852819 KTONSKZSYAGEDQ-INIZCTEOSA-N 366.417 3.401 0 1 FGAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(I)cc2[nH]1 587963948 WPRQDOJCUUIJJZ-RKDXNWHRSA-N 354.191 3.325 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587044253 YGEJBMIATWOMRB-NSHDSACASA-N 351.403 3.020 0 1 FGAF O=C(O)c1cc(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c12 587085747 FJQKGCTVHSCGLV-UHFFFAOYSA-N 353.563 3.134 0 1 FGAF CN[C@@H](c1cccnc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587224265 RAJUNOLEAMNVNB-VIFPVBQESA-N 352.623 3.078 0 1 FGAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCCC1 587567808 AEDOWDLNNJXVJT-QZTJIDSGSA-N 367.401 3.029 0 1 FGAF C=C(NC(C)=O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587203297 KQAFVAXTTMCOII-UHFFFAOYSA-N 364.121 3.331 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)cc1 586908380 ACHDWUISECVNFF-INIZCTEOSA-N 368.389 3.100 0 1 FGAF COc1cccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652495 SRRWLXHFDAMYFD-NSHDSACASA-N 358.781 3.166 0 1 FGAF Nc1cccc2c1CC[C@@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962671713 SHLIEOYRGHEWJY-PKTZIBPZSA-N 373.456 3.105 0 1 FGAF CC(=O)SCCC[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978486 RICNZWQHIXEHJX-RYUDHWBXSA-N 363.813 3.318 0 1 FGAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cncnc3)cc2)cc1 100094175 GAQUOOAXIFHTKV-JKHIJQBDSA-N 372.472 3.092 0 1 FGAF Cc1cc(O)ccc1[C@@H](O)[C@H](C)N1CCC(O)(c2ccc(F)cc2)CC1 28952037 VCXGYXJYTWDMJS-YWZLYKJASA-N 359.441 3.245 0 1 FGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccnc2)O3)cc1 61904477 XCGWKHKTDMQTQI-IBGZPJMESA-N 374.400 3.044 0 3 FGAF CCCCc1c(OCCCO)c2cccnc2n(-c2ccccc2)c1=O 26266492 LMRGSYZCFMKCEZ-UHFFFAOYSA-N 352.434 3.490 0 1 FGAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C(=O)O)[C@]12C 2356746457 XYVWVOQDJAKFEB-GSJUVLCZSA-N 362.422 3.317 0 1 FGAF COc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1 33362328 XKXNGIOQBWJAIR-UHFFFAOYSA-N 364.449 3.050 0 1 FGAF Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1 212145202 OIUHWXLQCQXZRR-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF COc1cc(-c2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)ccc1O 14647583 DHMDSOOMIYBNSO-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC(=O)c1ccoc1 15193770 RXMKNHZLQNBAPQ-ITNCUTESSA-N 372.417 3.321 0 1 FGAF biogenic CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 74378656 RQGGXXANGATZCL-RBUKOAKNSA-N 370.474 3.063 0 3 FGAF CC(C)(C)n1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N 221703456 NPQIPWMDLIWSMO-UHFFFAOYSA-N 365.437 3.076 0 1 FGAF COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc2nc(N)oc12 96934806 UZBGNFJRRXGMOV-MRXNPFEDSA-N 350.378 3.116 0 1 FGAF O=C(c1nc2ccc(F)cc2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1 140192749 AIGNMUVMERTZNP-UHFFFAOYSA-N 373.391 3.399 0 1 FGAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(OC)cc2)C1=S 95872981 ACPQNDNNEWQNLD-UHFFFAOYSA-N 362.451 3.488 0 3 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253634582 GIZCUFCOBVPITN-DUNUVARXSA-N 355.478 3.062 0 1 FGAF CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870098 MIXZPWBCEXVAQM-WNOVBMAMSA-N 357.494 3.360 0 1 FGAF in-vivo O=Cc1cc(Br)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1 586982975 SUFWHCZJYKVDAU-UHFFFAOYSA-N 367.253 3.172 0 1 FGAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587637277 ZNCVOKXDQOFFLR-UHFFFAOYSA-N 372.352 3.056 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccnc1Cl)[C@@H](C2)C3=O 587423301 WMSWWUDDOIXVBK-VQGQRTBRSA-N 370.836 3.462 0 1 FGAF COc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cn1 587013733 AKYRSUIMJKTXJY-UHFFFAOYSA-N 361.427 3.115 0 1 FGAF COc1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587197212 LXYMHKNGFYIPRH-ZDUSSCGKSA-N 361.442 3.488 0 1 FGAF Fc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)nc1Br 587155424 LPAKVEFMURQAIY-UHFFFAOYSA-N 362.084 3.287 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc(OCCF)cc1)NCC2 962934160 VFVHQYCKHBFNOB-NRFANRHFSA-N 356.441 3.146 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](C(C)(C)NC(=O)OC(C)(C)C)c3cccc1c32 963023309 JSBXSDIUBRHSJJ-PXAZEXFGSA-N 359.470 3.084 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 5023914 XEYBRNLFEZDVAW-LLYNYNPOSA-N 352.471 3.251 0 1 FGAF in-vitro CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Br)cc2)C(=O)O1 5885017 PJQMGNCJOYTUEZ-GFCCVEGCSA-N 353.212 3.347 0 1 FGAF CC[C@@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3sccc32)c1=O 5108544 UZAQXIQMWSCUAT-AWEZNQCLSA-N 372.494 3.373 0 1 FGAF CC[n+]1c(C)ccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651183 GARHFFMYHNNGDB-OAQYLSRUSA-N 361.465 3.406 0 1 FGAF CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1 13677259 BOYXDPQRSRPWEE-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF CN1Cc2c(C(=O)OCC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O 13826463 FIDOPDPUPDIIFO-UHFFFAOYSA-N 361.829 3.314 0 1 FGAF O=c1cc(Cc2ccc(Cl)cc2)nc2nc(Cc3ccc(F)cc3)[nH]n12 1857581856 PIGOOLRMYFLPBB-UHFFFAOYSA-N 368.799 3.392 0 1 FGAF COc1ccc2c(c1)-n1ncc(C(=O)OCc3ccccc3OC)c1NC2 1857628272 YRIUGFAXOVZZCF-UHFFFAOYSA-N 365.389 3.172 0 1 FGAF COc1cccc(OCc2cnccn2)c1-c1ccc2c(c1)CCNCC2 205435560 QHZAYRPEVPAPOV-UHFFFAOYSA-N 361.445 3.419 0 1 FGAF OCc1ccc(-c2cccc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)cc1 220705040 RVCALTVKVWDATG-QFIPXVFZSA-N 360.461 3.371 0 1 FGAF CN(C)CCOC(=O)c1ccc(COc2ccccc2Br)o1 2463954 SPQYDVLJYUDNTA-UHFFFAOYSA-N 368.227 3.340 0 3 FGAF Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 4238107 HGQGUMCIENCSPZ-UHFFFAOYSA-N 374.510 3.266 0 1 FGAF CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2cccc3nonc23)C1 20996501 JDBMNVLHHJGFAI-GOSISDBHSA-N 351.454 3.104 0 1 FGAF COc1ccnc2c1[C@@H](SCCN1CCOCC1)c1ccccc1O2 25969141 POOKJTLVZNHYJY-SFHVURJKSA-N 358.463 3.351 0 1 FGAF CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 27988180 XASSMBFXZQAJHZ-UWJLIRLQSA-N 370.530 3.355 0 1 FGAF C[C@@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 28824015 NRFWFEMHRJCYJM-QGZVFWFLSA-N 363.461 3.285 0 1 FGAF CCc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1 33670430 JIWDTCKLBWBZRL-UHFFFAOYSA-N 354.269 3.490 0 1 FGAF C[C@@]1(NC(=O)CCc2ccccc2)CCN(CCCc2ccccc2)C1=O 36389159 JXNAISREMCUIPH-HSZRJFAPSA-N 364.489 3.359 0 3 FGAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1 222717402 GUKYWSVRGDINLN-UHFFFAOYSA-N 367.457 3.161 0 1 FGAF COCCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21 82190239 ZUHBFIMFNCEVCZ-UHFFFAOYSA-N 366.450 3.208 0 1 FGAF CCOC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 299859073 VQZJPVVVSPPHMW-UHFFFAOYSA-N 353.422 3.217 0 1 FGAF Cc1ccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc1N 299820204 CIICNHRCNBMXPR-UHFFFAOYSA-N 356.403 3.229 0 1 FGAF OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 653825922 OULZDKXPNGIVQB-LBPRGKRZSA-N 361.858 3.444 0 1 FGAF Cn1cc(-c2ncc(-c3nc4ccc(Br)nc4[nH]3)s2)cn1 587021700 NUEDEEGDTYNDJY-UHFFFAOYSA-N 361.228 3.244 0 1 FGAF CC[C@@H](c1nc2cccnc2[nH]1)n1cc(I)c(C)n1 587184245 GTIOOFOOJZKEEM-NSHDSACASA-N 367.194 3.067 0 1 FGAF O=C(O)c1cccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)c1 587561453 RBYHRSGCNRXREI-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(Cl)c[nH]c-4n3)cc2N1 587126848 NKHGXGOKTPVSSK-VDTYLAMSSA-N 357.727 3.129 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 587490915 SUOMFWPGLYKKOT-RVHYNSKXSA-N 372.417 3.139 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)O)c3ccccc13)O2 587391957 UUBIYIJWWKHKMR-GOSISDBHSA-N 350.374 3.323 0 1 FGAF COc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 587168100 SFVWRIHPKHDGFH-CQSZACIVSA-N 355.373 3.475 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1-n1cccn1)[C@@H](C2)C3=O 587433001 UNLKPYBTMZQLAZ-KKSFZXQISA-N 362.385 3.378 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CC2)OCCO1 587612503 VHTUUIOHQQISHN-QGZVFWFLSA-N 368.385 3.410 0 1 FGAF O=C(O)c1cc2n(n1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521464 BJETXKQIGXHRBX-HXUWFJFHSA-N 352.390 3.115 0 1 FGAF Cc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c(C)n1 587119293 VPTIWDHFSPJKJN-UHFFFAOYSA-N 362.315 3.493 0 1 FGAF COc1ccc(CCC(=O)c2c(OC)cc(OC)cc2OC(C)=O)cc1 685935671 HGDHVAZCQRCGFB-UHFFFAOYSA-N 358.390 3.453 0 1 FGAF biogenic,in-vitro O=C(N1CCCC[C@H]1Cc1ccccc1)n1ncc(C2(O)CCCCC2)n1 1772574627 FHOSPQWDBMNNDC-SFHVURJKSA-N 368.481 3.495 0 1 FGAF Nc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(F)cc1 5034539 FPRRLGNJYPEGLX-UHFFFAOYSA-N 351.790 3.162 0 1 FGAF CNC1=Nc2ccc(Cl)cc2C(c2ccccn2)=N[C@H]1CCC(=O)OC 13860479 XNEFJYNPWYKTNA-INIZCTEOSA-N 370.840 3.157 0 1 FGAF COc1ccc(Cc2nc3ccc(C(=O)NC4CCOCC4)cc3o2)cc1 15073858 VZMIZLNWUZFBNA-UHFFFAOYSA-N 366.417 3.336 0 1 FGAF O=C(Nc1ccc(F)c(C(F)F)n1)c1cc(Oc2cncnc2)ccn1 167529445 KCGNNFFJDKDVBL-UHFFFAOYSA-N 361.283 3.388 0 1 FGAF Cc1ccc(NC(=O)NC(=O)c2c(-c3snnc3C)noc2C)cc1 1047783 WZZSBLNURWHZKA-UHFFFAOYSA-N 357.395 3.080 0 1 FGAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(N[C@H](C)CC)c2c1C 753841 UDOIGBQRDZACNC-SECBINFHSA-N 365.455 3.102 0 1 FGAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCO 4212783 MFLZKAQZBGEHEE-RTBURBONSA-N 362.470 3.208 0 1 FGAF CCN(CC)CCN[C@@H]1c2cc(OC)c(OC)cc2OCc2ncccc21 26833584 SUKVAHFKUDBLDH-NRFANRHFSA-N 371.481 3.012 0 1 FGAF COC(=O)[C@@H]1CC2=C3C=C[C@H]4C(=O)N(C[C@H]4C)C[C@@H]3CCC3=C2[C@@H]1CC3 2356559412 ASXMVBHXTSDEQQ-XYLZBAIXSA-N 353.462 3.257 0 1 FGAF C[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@H](c3ccc4c(c3)OCO4)OC[C@@H]21 2356627575 NFHFNBFYZIJLKZ-LATRNWQMSA-N 368.385 3.393 0 1 FGAF O=C(c1cccc(F)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74378426 HZUHGERMGNYSMC-WFASDCNBSA-N 362.763 3.493 0 3 FGAF Nc1cccc(S(=O)(=O)Nc2ccc(N)c(-c3ccccc3O)c2)c1 35000913 WJKGWHKLHMNZRK-UHFFFAOYSA-N 355.419 3.024 0 1 FGAF CNCCNc1nc(-c2ccncc2)nc2c(Br)csc12 223675619 WMGRZGOHWUAMAS-UHFFFAOYSA-N 364.272 3.147 0 1 FGAF COC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 222324812 ZJCUHWZIOCMBJQ-UHFFFAOYSA-N 362.393 3.197 0 1 FGAF O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)c1ccn[nH]1 145990869 ZBSJZJNZMSDZNC-GQCTYLIASA-N 353.403 3.447 0 1 FGAF Fc1ccccc1Oc1cc(N2CCN(c3ccccn3)CC2)ncn1 82067370 LHIKKXYAYFCRNN-UHFFFAOYSA-N 351.385 3.130 0 1 FGAF CCOC(=O)CSc1nc2ccc(C)cc2c(=O)n1-c1ccccc1 98084860 DRIMJVQYVHPBSY-UHFFFAOYSA-N 354.431 3.349 0 1 FGAF CCCNC(=O)N(C)C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1 95600202 DNZCAJZFONMYBT-QHAWAJNXSA-N 371.525 3.112 0 1 FGAF O=C(c1ccc[nH]1)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 379420238 OSUHMUYHEGKKJO-UHFFFAOYSA-O 372.364 3.082 0 1 FGAF COc1cc2c(cc1O)O[C@@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)[C@@H](O)C4 43013067 SEIHXYPYVZURAM-CAYVGHNUSA-N 370.401 3.085 0 1 FGAF biogenic C[C@H](Oc1ccc(Cl)cc1F)C(=O)NCc1ccc2c(c1)OCO2 299856926 LAMXCKPWKIAILH-JTQLQIEISA-N 351.761 3.292 0 1 FGAF NS(=O)(=O)c1ccc(N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 653810076 UAGNZJQVLGANQH-HNNXBMFYSA-N 373.459 3.344 0 1 FGAF COC(=O)c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cn1 587160732 CDSKMSBVVGXTCA-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596347 NSMPTUDIQILCCQ-XLIONFOSSA-N 356.374 3.456 0 1 FGAF CCOC(=O)[C@@H]1CN(CC)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518039 ZBVRVOGKBCCZFS-AVRDEDQJSA-N 371.477 3.174 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(=N)[nH]2)N1 587855565 WQIICUYSKQIBBE-UOWDBTKRSA-N 356.264 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1nccn1C)(c1ccccc1)[C@@H](C2)C3=O 587431587 PGFDNNVZOJTQKC-HTAPYJJXSA-N 360.413 3.314 0 1 FGAF COc1ncc(CN2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)cn1 11947649 BPEPSPSDMXCIDH-NRFANRHFSA-N 358.530 3.353 0 1 FGAF COc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 12711157 YLLBJZGYHDHUHM-GFCCVEGCSA-N 360.360 3.104 0 3 FGAF CCNc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709881 ZYZORVLZYVXANO-HNAYVOBHSA-N 368.481 3.368 0 1 FGAF CC(C)C[C@@H]1NC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727261 IZDXXXQMBXLHDT-ZWKOTPCHSA-N 356.466 3.403 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccccc2Cl)nn1 201478896 DOJPZTDTDOMOQV-UHFFFAOYSA-N 370.840 3.449 0 3 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H]3CCO3)c2cn1)c1ccccc1 209390575 MHBJFUNUBNCZNK-TZMCWYRMSA-N 367.409 3.008 0 1 FGAF CN[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)O 1857566656 HYRFDXVUPZBGGM-SFHVURJKSA-N 370.449 3.331 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc(O)c2c1OC(C)(C)[C@H](O)C2 1857609255 JOHYUZMLQPSYER-QGZVFWFLSA-N 356.418 3.038 0 1 FGAF Nc1ccc2oc(N3CCN(c4ccc(Br)cc4)CC3)nc2c1 1857613127 YWLNNRGBGJWZNN-UHFFFAOYSA-N 373.254 3.499 0 1 FGAF COc1ccc(-c2cnn3ccc(NCc4cccnc4)nc23)cc1OC 145844464 QINJARWVAYXSLF-UHFFFAOYSA-N 361.405 3.421 0 1 FGAF C[C@@H](CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12 2493975 PSOMLXHKCGSJDS-AWEZNQCLSA-N 370.474 3.361 0 3 FGAF CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 6892696 PLTFDSUXGCWPFW-UHFFFAOYSA-N 362.476 3.254 0 3 FGAF CCc1c(C(=O)c2cccc3ccccc23)n(CC2CC=CC2)c(=O)[nH]c1=O 28652497 CBARMKGMQRLYDO-UHFFFAOYSA-N 374.440 3.449 0 1 FGAF COC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1[S@]2=O 28644838 NKUSUAHXFNBDLN-PCQFYBIWSA-N 357.269 3.005 0 1 FGAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC(F)F)cc1 103539259 UNLMXJCHPZIQKA-NXXVSJRMSA-N 350.325 3.381 0 1 FGAF COc1ccc2c(c1)C(=O)c1c-2c(N2CCN[C@H](C)C2)nc2ccccc12 29055594 LQLWDSCKCPHKMO-CYBMUJFWSA-N 359.429 3.253 0 1 FGAF CCN1CC[C@H](OC(=O)c2[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c2C)C1 26253561 DICFAXZCXKVYRH-KBPBESRZSA-N 350.459 3.166 0 1 FGAF CN(Cc1ncc[nH]1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64587579 NDCWSHMFDBDIQV-UHFFFAOYSA-N 359.389 3.385 0 1 FGAF CC1(C)[C@@H](O)CC[C@]2(C)OC(=O)C(=CCc3cc(O)ccc3O)CC[C@@H]12 2356842080 MKQIFVOOVMGNKO-WFXMLNOXSA-N 360.450 3.460 0 1 FGAF COc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@H](O)[C@H](c1ccc(O)cc1)O2 14648175 UZKPAEYMUOTYEF-UFYCRDLUSA-N 372.417 3.143 0 1 FGAF biogenic COCCOc1cccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 72120324 VAJZXPZDWFRVPP-UHFFFAOYSA-N 357.439 3.186 0 1 FGAF COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c1 221950448 MYMNSDVPJBOICZ-KRWDZBQOSA-N 366.200 3.415 0 1 FGAF O=P(O)(O)O[C@@H]1CC(c2ccccc2F)=Nc2cc3c(cc21)OCO3 49067501 PPSJOHMGLWYWEX-CQSZACIVSA-N 365.253 3.229 0 1 FGAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 45388967 GAPMIGVZZJVPIM-HXUWFJFHSA-N 369.852 3.350 0 1 FGAF COc1cc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc(OC)c1O 238787256 FOXNADJYBCBRFG-LBPRGKRZSA-N 360.362 3.144 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@@H](CCC[C@H]2C)C1 253634646 IDNZRSXQOGDYGG-UPJWGTAASA-N 351.878 3.066 0 1 FGAF Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261102316 GPSCHCFBKYKZKJ-KPFFTGBYSA-N 357.498 3.176 0 1 FGAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)NC(C)(C)C)C2 33572949 VXTJFOBUKFUVAA-UKRRQHHQSA-N 361.482 3.423 0 1 FGAF biogenic COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1 653721448 ZWXKFXXHYPFGIN-UHFFFAOYSA-N 355.390 3.429 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCOCC2)N1 587766886 OTTKZKHBPSIJNH-BDJLRTHQSA-N 371.294 3.274 0 1 FGAF COc1ccc(C)cc1NCCCc1nc2c(S)nc(S)nc2[nH]1 587229545 YQYPOLADXVUHEN-UHFFFAOYSA-N 361.496 3.292 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587799231 RHFJJZGTUOREKP-JDSYJXLJSA-N 356.235 3.363 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccnn3c2)N1 587796838 QTYPIJDCXYMDQW-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)O)(c1ccccc1)CC2=O 587488958 LNRXVNBVGSCCRY-NRFANRHFSA-N 368.385 3.249 0 1 FGAF O=C(O)c1cccnc1SCc1nc2ccc(Br)nc2[nH]1 586966649 HRWUGQVRRTYRPC-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF NC(=O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511413 PUJJWERTZGNWKU-IBGZPJMESA-N 351.402 3.136 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2nc(Cl)c[nH]c-2n1 587043127 ORXHWYUDZUGPCR-VIFPVBQESA-N 366.233 3.267 0 1 FGAF Cn1cc(Br)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587871857 FEZDHJOFJKISPG-UHFFFAOYSA-N 363.146 2.979 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1 587190120 GNTKNINMWYYPNW-CQSZACIVSA-N 355.398 3.015 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)C(=O)OCC)C(F)F 963244618 WXHHWFPZNQMLCW-ORAYPTAESA-N 353.409 3.326 0 1 FGAF O=C(O[C@@H]1CCCN(CCCF)C1)C(O)(c1ccccc1)c1ccccc1 13835335 ONNZSVCCYCIMBH-HXUWFJFHSA-N 371.452 3.290 0 1 FGAF Cc1cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 16042117 MWMWHWSGVQYGCM-GFCCVEGCSA-N 361.394 3.228 0 1 FGAF biogenic CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 1656442 ODUPYNQIZWDIOB-UFYCRDLUSA-N 373.456 3.113 0 1 FGAF COc1cccc([C@@H]2C[C@@H](c3cccc(OC)c3OC)n3ncnc3N2)c1 2916020 KJJPULLLRRJHLC-IRXDYDNUSA-N 366.421 3.450 0 1 FGAF CCOc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246858 WETDHKDELFACOV-AVIQBBFDSA-N 362.495 3.089 0 1 FGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100106523 MEUJYFJALRYJNZ-UDIUIVOJSA-N 362.429 3.028 0 1 FGAF CCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568682 ZQUXDOJBDFPTDM-KMLWUQHESA-N 357.494 3.362 0 1 FGAF in-vivo COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2[C@H](C)CCC[C@@H]2C1 26282519 IDNZRSXQOGDYGG-FRRDWIJNSA-N 351.878 3.066 0 1 FGAF Cc1cc2nc(CO[C@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2cc1C 2356322750 AOOXTWWNRCUSQZ-BBRMVZONSA-N 360.458 3.375 0 1 FGAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cnc(C(F)(F)F)cn1 117728399 IVECQXBPQCCNPZ-GFCCVEGCSA-N 350.344 3.215 0 1 FGAF Cc1cc2c(c(O)c1C=CC(C)C)C(=O)[C@H](O)[C@H](c1ccc(O)cc1O)O2 2356464634 QKFCFTIQHYXZRG-SFTDATJTSA-N 370.401 3.458 0 1 FGAF COC(=O)[C@@H]1CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@]12C 2356587145 AGTVKDDCBZAARB-KDXWQOGXSA-N 374.433 3.314 0 1 FGAF O=C(c1ccc(Cl)cc1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26162657 CWOZOZHJFRWAFJ-GOSISDBHSA-N 354.837 3.312 0 1 FGAF CC(C)=CCc1cc(CC2=C(c3ccc(O)cc3)C(=O)NC2=O)ccc1O 2356868345 XAOPEJSHYOUMNB-UHFFFAOYSA-N 363.413 3.259 0 1 FGAF C[C@@H]1C[C@H](O)CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 40424008 OCPFYXZMGXRXHZ-GHMZBOCLSA-N 370.829 3.123 0 1 FGAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CC3CCCCC3)c(=O)n21 82211850 KYMNRCGCGPRBMV-CQSZACIVSA-N 362.518 3.425 0 1 FGAF CCOc1cc(CCNc2nc(N3CCCC3)ncc2C)ccc1OC 82202703 FJPDYMVYMZATKV-UHFFFAOYSA-N 356.470 3.447 0 1 FGAF CCCCC/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 45789060 RZCPXIZGLPAGEV-YKPSUEFWSA-N 354.487 3.043 0 1 FGAF Cn1cc(C2(Cn3cc(O)c(=O)c(C(=O)O)c3)CCCC2)c2ccccc21 144219286 WMAMXKQVCBKJQF-UHFFFAOYSA-N 366.417 3.256 0 1 FGAF O=c1c2cccnc2ncn1Cc1noc(/C=C/c2ccc(Cl)cc2)n1 653746588 FNDVNJLIBJSDBE-VMPITWQZSA-N 365.780 3.047 0 1 FGAF COc1cc2c3c(c1)O[C@H](C1(CN4CCOCC4)CCCCC1)[C@@H](C2)C3=O 587444240 NXHZZUUSDHUPJT-UWJYYQICSA-N 371.477 3.094 0 1 FGAF CCOCCOCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587779280 XPSITCNLAXUAMR-UHFFFAOYSA-N 371.231 3.055 0 1 FGAF O=C(/C=C\c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccc(F)cc1 587167002 MKCMFVXMLXZJRM-VURMDHGXSA-N 350.353 3.239 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N(C)C)n2)N1 587739420 BDSKDQFOVLGHQJ-PSLIRLAXSA-N 365.250 3.068 0 1 FGAF COc1ccc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427801 GDZFGJOZMNELHI-BDWJNYAHSA-N 365.429 3.422 0 1 FGAF COc1nccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587060851 OITHJBYOJDRJSX-UHFFFAOYSA-N 352.785 3.156 0 1 FGAF CCc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127420 UGZKDWPCZZFRDH-UHFFFAOYSA-N 355.341 3.481 0 1 FGAF N[C@H](c1ccsc1)c1nc2cccc(I)c2[nH]1 587024651 DFAPJBWMYRTTBP-SNVBAGLBSA-N 355.204 3.277 0 1 FGAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397814 BQBMNNFKJBLNHC-QKKBWIMNSA-N 353.418 3.333 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1N[C@@H]1c1ccccc1 587592838 HOBKURAGIIAXMJ-LMVRJCEZSA-N 359.381 3.436 0 1 FGAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)C1=O 169720226 JVOIFHQOWOVREC-MPBGBICISA-N 353.443 3.232 0 1 FGAF C=CC(=O)Nc1ccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cc1 1857564845 FKDUGAYPUOUVOI-UHFFFAOYSA-N 361.409 3.111 0 1 FGAF Cn1c(=O)c(-c2ccc(F)cc2)nc2cnc(OCc3ccccc3)nc21 4238660 VVRZVXAKSQWGIO-UHFFFAOYSA-N 362.364 3.109 0 1 FGAF COc1cccc(CN2CC[C@@H]3COC(=O)N3c3ccc(OC)cc3C2)c1 2356293285 FPDOMCKSXVTCSH-QGZVFWFLSA-N 368.433 3.435 0 1 FGAF O[C@H](CNCCc1cc2ccccc2[nH]1)COc1cccc2ncccc12 26250675 FJRXKQVZVFKLJP-GOSISDBHSA-N 361.445 3.288 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)cc1O 2356466696 PQFNGONRIQPGDV-WZBLMQSHSA-N 358.390 3.190 0 1 FGAF CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1Cl 38895521 SDMWXMWDWBUWSJ-UHFFFAOYSA-N 365.867 3.022 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 14494419 GUGLXICOVCCFRU-GBESFXJTSA-N 370.401 3.113 0 1 FGAF biogenic O=C(c1ccc(Cl)cc1Cl)c1cccn1-c1ccc2c(c1)B(O)OC2 221693231 UDLOSYCZRDWSDC-UHFFFAOYSA-N 372.016 3.233 0 1 FGAF Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1Cc1cccs1 95603119 AAPNBJMAZSVBPZ-IBGZPJMESA-N 367.478 3.378 0 3 FGAF Cc1cccc(N2CCN(Cc3cccnc3-c3ccnn3C)CC2)c1C 621476444 YOSJPQRUYOUSFY-UHFFFAOYSA-N 361.493 3.421 0 1 FGAF N=c1[nH]c2nc(-c3cc(Br)ccc3Cl)nc-2c(Cl)[nH]1 586980261 MBFISZGSMAYKGD-UHFFFAOYSA-N 359.014 3.453 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)[nH]2)N1 587793612 ROAOZZBEZHITKI-JKYUHCHBSA-N 353.191 3.238 0 1 FGAF NS(=O)(=O)c1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 587921537 CTWWPEOWGFDLNX-UHFFFAOYSA-N 352.387 3.403 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Cl)c(C)c2[nH]1 586950713 BDNQOWANYYFWCS-UHFFFAOYSA-N 356.860 3.328 0 1 FGAF CC[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583384 VUNXEPHNEJHNRR-FXAWDEMLSA-N 350.374 3.393 0 1 FGAF CCOC(=O)C1(CCOC)CCN(C/C=C/c2ccccc2OC)CC1 11956561 QLHAOODESNWFFL-VQHVLOKHSA-N 361.482 3.390 0 3 FGAF COc1cc(OC)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c1OC 14645300 GDJHJQDNVRPLKB-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic,in-vitro COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](N)C4)cc3n2)cc1Cl 1857581316 AQLOANHSBZMOKO-LBPRGKRZSA-N 372.856 3.209 0 1 FGAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Br)cc1F 681713 CCSMAGQESJJQCT-HTEOGMQZSA-N 356.191 3.274 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)C2CCC(C)CC2)c1 3895885 OIQCLWPJSKLLIN-JMLCCBQJSA-N 374.481 3.460 0 3 FGAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCC(C)(C)CO 4273893 LPXBRSVJBNUEOQ-IRXDYDNUSA-N 350.459 3.428 0 1 FGAF CCCN[P@](=O)(OCCOC)[C@@H](C)NC(=O)OCc1ccccc1 101600853 BHXWCTKGYOCFLI-LFPIHBKWSA-N 358.375 3.115 0 1 FGAF Nc1nc2c(ncn2Cc2ccccc2Cl)c2nc(-c3ccco3)nn12 28877492 HZVIDEOYIWWZEF-UHFFFAOYSA-N 365.784 3.018 0 1 FGAF COc1ccccc1CNC(=O)c1ccc2c(Br)nccc2n1 29242809 TXFOPQMQGKCQKL-UHFFFAOYSA-N 372.222 3.331 0 1 FGAF COC(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N1CCOCC1 29128588 ADWAUCMXNMRZRE-FNORWQNLSA-N 372.446 3.023 0 1 FGAF CC(C)[C@]1(c2c[nH]c(-c3ccc4ccccc4c3)cc2=O)OC(=O)NC1=O 71333782 TZOZLXCJBIJCEG-OAQYLSRUSA-N 362.385 3.313 0 1 FGAF CC(C)n1ncnc1-c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2 95581640 DJWGTNCIAUYYCQ-UHFFFAOYSA-N 354.435 3.288 0 1 FGAF in-vitro COc1cc(C(=O)O)c(Oc2cc(C)cc(O)c2C(=O)O)c(O)c1Cl 238771131 NKLDEZFNTHSPHS-UHFFFAOYSA-N 368.725 3.257 0 1 FGAF CCCn1c(=O)c2nc([C@H]([C@H]3C[C@@H]3C)[C@@H]3C[C@@H]3C)[nH]c2n(CCC)c1=O 253850956 HMVSPWMLAUTJBO-BTFPBAQTSA-N 358.486 3.102 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2/C(=C/CCCC(=O)O)CO[C@H]2C[C@H]1O 618012603 QYRCPOHMWROZQI-ZZFCSGJUSA-N 352.471 3.061 0 1 FGAF Cc1ccc(CSCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586970240 CFSVPLYDNSGFLY-UHFFFAOYSA-N 350.451 3.323 0 1 FGAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1Oc1ccccc1 587440684 CHMNBYZJYXARFH-IIPCHUTBSA-N 366.413 3.438 0 1 FGAF CC(C)[C@]1(Cn2cncn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587760022 NSKVALDQNIYNGN-BZNIZROVSA-N 367.266 3.265 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2N)N1 587748567 XSBIFLITMGCSMW-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF CC(C)Oc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 587223324 BWHMNLPFZGYUME-CQSZACIVSA-N 353.422 3.434 0 1 FGAF COc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1C 587582956 RZYIQOVAMPUEBP-APWZRJJASA-N 366.373 3.146 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=S)N(C)C)c1)[C@@H](C2)C3=O 587454157 WLTDMRZWTSVSOD-HNAYVOBHSA-N 369.442 3.409 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437987 MPFOIGVLHOCXJN-CDNVCLAFSA-N 359.422 3.068 0 1 FGAF CC(C)[C@]1(Cn2cncn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587761506 UZUSYXAYQLMNMD-ZBEGNZNMSA-N 367.266 3.265 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c(=N)c2)N1 587748149 VCHHBMLHTFYKRC-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3=C2COCO3)N1 587838784 PDONWICCWUIJAJ-FVMDXXJSSA-N 354.219 3.370 0 1 FGAF CCOC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593102 CDIKPOLZPJKXKV-DBCMNUGHSA-N 354.358 3.066 0 1 FGAF Nc1cccc2c1CC[C@@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671707 SHLIEOYRGHEWJY-DHIUTWEWSA-N 373.456 3.105 0 1 FGAF O=c1cc(Cn2cc(-c3cc(F)cc(F)c3)nn2)c2ccc(O)cc2o1 1772592277 MGIOHBCYQAEYNF-UHFFFAOYSA-N 355.300 3.084 0 1 FGAF COc1ccc(-n2nccc2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772613170 YWBNYQFPQBSZHV-UHFFFAOYSA-N 356.378 3.279 0 1 FGAF Cc1cccc(N2CCN(CCCCN3C(=O)CSC3(C)C)CC2)c1 13759355 HQOFCIQVUAGMFI-UHFFFAOYSA-N 361.555 3.209 0 1 FGAF CONC[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13809010 HFZVPQQBNSBRKW-OJCIERFFSA-N 351.531 3.272 0 1 FGAF COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCCO)C2)cc1 169323375 RYGFSCZRXJYPCD-NRFANRHFSA-N 354.494 3.154 0 1 FGAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3ccc(F)cc3)cn21 169330958 YHZYNNQYZPVEPM-MRXNPFEDSA-N 357.429 3.131 0 1 FGAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)cc1 169360744 SUQNPPWHLMFZBZ-IXRMJJIHSA-N 362.267 3.488 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)OC 169692169 WNBMQMMGBBWUOZ-HPQWVTLMSA-N 366.498 3.340 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2ccc(F)cc2)nc2ccccn12 1857595186 JZCVFHWMECTBPT-UHFFFAOYSA-N 354.385 3.256 0 1 FGAF O=C(O)c1ccc(-c2csc(=N[C@H](Cc3ccccc3)C(=O)O)[nH]2)cc1 1857754420 FAVCWUBUAAOMOC-OAHLLOKOSA-N 368.414 3.038 0 1 FGAF COc1cccc(CN=c2nc3sc(-c4cccs4)nc3c(N)[nH]2)c1 1857759803 DZBPQTHYQQLPHZ-UHFFFAOYSA-N 369.475 3.440 0 1 FGAF COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 6006744 WZRGMGURBHWPOY-FUHWJXTLSA-N 356.418 3.287 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2cnc3ccccc3c2)CC1 6385405 SYQITLQHUPVPJU-UHFFFAOYSA-N 361.449 3.024 0 1 FGAF CC(=O)O[C@H]1C[C@H]2/C=C/CCC[C@H](C)OC(=O)/C=C/[C@@H](OC(C)=O)[C@@H]2C1 101392714 ILLPGJFSCLASDH-SVJSBHBHSA-N 364.438 3.104 0 1 FGAF COc1cc(O)cc([C@H]2OC[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)c1 59588570 RLPSCTFWRRFZRG-XNFNUYLZSA-N 358.390 3.190 0 1 FGAF biogenic,in-vitro COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 62224609 MBVCPTLFUYAOKI-KRWDZBQOSA-N 359.422 3.142 0 1 FGAF COc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1C 29476142 MDUIGRQLYRDVOI-UHFFFAOYSA-N 365.359 3.276 0 1 FGAF COc1c(C(C)(C)C)cc(Cc2c(N)nc(N)nc2N)cc1C(C)(C)C 27625909 HUVWDHPIQDZITF-UHFFFAOYSA-N 357.502 3.418 0 1 FGAF C[C@H](N)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27322319 GRYGUIJVGCWQDJ-LBPRGKRZSA-N 351.841 3.161 0 1 FGAF CCOC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@@]34C 2356519557 HORWUZVIXQFJDV-XJMDJMRVSA-N 371.477 3.259 0 1 FGAF Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(=O)O)on1 27212900 KWADUSKGDDXVGN-UHFFFAOYSA-N 358.394 3.250 0 1 FGAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1sc(C)nc1C 2356763849 VBPWYAZDDLZORQ-IAGOWNOFSA-N 365.543 3.113 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)cc1OC 14727144 DJGIRFSHDONNME-LHHVKLHASA-N 358.390 3.190 0 1 FGAF biogenic CC(=O)N1CCSc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 34145534 KTZCDJNOHSLCSB-UHFFFAOYSA-N 362.476 3.254 0 1 FGAF C[C@H](NCc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl 49112371 QICFULGAOAYEPU-LBPRGKRZSA-N 355.825 3.298 0 1 FGAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccc(F)c2c1=O 45374316 MAGPUOJRROCFJS-UHFFFAOYSA-N 363.348 3.073 0 1 FGAF COCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2F)n1 82150494 BLOBSCSCARSIKN-UHFFFAOYSA-N 374.460 3.459 0 1 FGAF CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 84653079 HHMMWLFGLPCCFN-SFHVURJKSA-N 369.396 3.096 0 1 FGAF O=C(CNC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCCc2ccccc21 149172104 HJPHLOJFTJJAGL-NRFANRHFSA-N 362.473 3.489 0 1 FGAF C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 473101877 KXLCPBBAUBBGQU-GFCCVEGCSA-N 370.359 3.357 0 1 FGAF N=C(N)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217781 FTKKBUVWHQZWEW-LJQANCHMSA-N 369.428 3.366 0 1 FGAF CN(C)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336917 MYVUTTVPRJFYJF-AZUAARDMSA-N 357.381 3.127 0 1 FGAF CN1CC[C@@](C)(O)[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586987723 DDRSANMOJCEYAW-WAIKUNEKSA-N 374.440 3.322 0 1 FGAF NC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167620 PAQHLFKTQROXKP-MRXNPFEDSA-N 367.384 3.170 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587441650 GOPSYKISYXSSSL-LHSJRXKWSA-N 370.401 3.384 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 586952339 ISOAZOOAPINEEA-UHFFFAOYSA-N 355.891 3.444 0 1 FGAF Cc1ccc(-n2ccnc2SCc2nc3cc(=N)[nH]cc3[nH]2)c(C)c1 586966134 GUTUHGHOMMJULW-UHFFFAOYSA-N 350.451 3.465 0 1 FGAF Cc1ccc2c3c(cc(CC(=O)N4CCOCC4)nc13)-c1ccccc1C2=O 587096687 JMPZLUFNQIXIQB-UHFFFAOYSA-N 372.424 3.156 0 1 FGAF CC[C@@H]1Cc2ccccc2[C@@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269336 IMJLRAWMYALBDD-WAIKUNEKSA-N 361.441 3.225 0 1 FGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(C)C)c2cn1)c1ccccc1 1772617423 RMHDZPSOGNJKGI-MRXNPFEDSA-N 368.441 3.287 0 1 FGAF COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c([C@H](C)O)c1)c1ccccc1 1772570560 QXZSUWTXBMUNHX-VBKZILBWSA-N 365.433 3.248 0 1 FGAF O=C1NC(=O)c2cc(Nc3ccc(O)cc3)c(Nc3ccc(O)cc3)cc21 12352703 TYLKNORJFZPIPX-UHFFFAOYSA-N 361.357 3.469 0 1 FGAF Cc1noc(C[S@@](=O)C[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 13584894 DYTIBVLSVQCIHS-ROYPQONJSA-N 367.902 3.016 0 1 FGAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 169332170 SWMLFRMOWVYIDT-ATCBYQLMSA-N 362.510 3.135 0 1 FGAF COC(=O)c1cc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@@]3(C)O2)ccc1Cl 169689367 XDVWRPVMYPJFNI-QZTJIDSGSA-N 361.781 3.359 0 1 FGAF COc1cc(C(=O)c2cnn(-c3ccccc3C)c2N)cc(OC)c1OC 1857767230 CWTWYMHCNBSPSV-UHFFFAOYSA-N 367.405 3.020 0 1 FGAF COc1cc(C[C@H](CO)[C@H](CO)Cc2ccc(C)c(OC)c2)ccc1C 2356395963 XZMJVNBHYBOCGF-BGYRXZFFSA-N 358.478 3.323 0 1 FGAF COc1ccc2nc(CO[C@H]3CN(Cc4ncccc4C)C[C@@H]3F)[nH]c2c1 2356354153 GKRHDPVBSULECK-KXBFYZLASA-N 370.428 3.014 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 3955763 QMEYCXUCDBZCSF-UHFFFAOYSA-N 368.481 3.205 0 1 FGAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049483 OHBLQSBEZLPOMK-TZIWHRDSSA-N 360.413 3.040 0 1 FGAF Cc1cc(F)ccc1O[C@H]1C=C[C@H](c2ccc3c(c2)OCO3)O[C@@H]1CO 7992609 CBOKKADTZKMXAM-IMFGXOCKSA-N 358.365 3.299 0 1 FGAF OC[C@@H]1O[C@H](/C=C\c2ccccc2)C=C[C@H]1Oc1ccc2c(c1)OCO2 7992642 XABUZAPEWOEFMZ-VXHDRTHRSA-N 352.386 3.192 0 1 FGAF COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc4c(c3)OCO4)[C@H]1CC2 28635553 LFAKMAIBFALIPG-KKSFZXQISA-N 364.401 3.294 0 1 FGAF COc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937899 WCIMNWWUWRWLBO-IFMALSPDSA-N 370.468 3.021 0 1 FGAF COC1=C(OC)c2ccccc2[C@@H](C(=O)O)N/C1=C(/C)Nc1ccncc1 101617664 DGWOUMZJKNXNIN-WBILKINKSA-N 367.405 3.116 0 3 FGAF CN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3ccccc3n2CC(=O)O)C1 118882195 HEICYROHWOITJG-ZDUSSCGKSA-N 370.840 3.163 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C1(c2ccccc2)CC1 61929383 SRFNRXHNKYBGEX-NRFANRHFSA-N 374.444 3.224 0 3 FGAF O=C(C1CCCC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010697 WCMIQMUWHYYLEZ-MRXNPFEDSA-N 354.237 3.232 0 1 FGAF COc1cc(C[C@@H]2NCCCc3cc4c(cc32)OCO4)cc(OC)c1OC 29544814 HIVKUXKVHRDNOA-INIZCTEOSA-N 371.433 3.261 0 1 FGAF CSc1nc2ccc(Cl)cn2c(=N)c1S(=O)(=O)c1ccccc1 34065654 AODZKPOTUZKQMH-UHFFFAOYSA-N 365.867 3.022 0 1 FGAF CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823669 WVXIQKKXCSCGNB-FQEVSTJZSA-N 365.477 3.122 0 1 FGAF CC(C)(C)OC(=O)NC[C@@H](NO)c1c[nH]c2cccc(Br)c12 71340905 FBRMFEDCACINLR-GFCCVEGCSA-N 370.247 3.475 0 1 FGAF S=C(NNCc1ccccc1)Nc1ccc(-c2nnc(S)o2)cc1 72173185 ZRBYAJZNSWYGCJ-UHFFFAOYSA-N 357.464 3.017 0 1 FGAF Nc1ncc(-c2ccccc2)nc1N1CCC[C@H](OCc2ccccn2)C1 32561808 VLPZIFMAKDGRDW-SFHVURJKSA-N 361.449 3.306 0 1 FGAF COc1ccc(C)c2c1N[C@@](C)([C@@]1(C)Nc3c(O)ccc(C)c3C1=O)C2=O 14649920 UKGKNTJQIKSVFU-LEWJYISDSA-N 366.417 3.452 0 1 FGAF biogenic C[C@@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)c1ccccc1 36388150 ZHSPLWWVRAZRSC-OAHLLOKOSA-N 374.444 3.099 0 3 FGAF c1cnc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1 40917362 PEPMTRGKCCXQQJ-UHFFFAOYSA-N 371.535 3.391 0 1 FGAF in-vitro COCCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181020 OMTOCMSGXHFXAI-UHFFFAOYSA-N 355.417 3.144 0 1 FGAF CCCCOCCCNc1cncc(Oc2ccc(-n3cncn3)cc2)n1 82068568 JJQWDXZUJYLWQN-UHFFFAOYSA-N 368.441 3.468 0 1 FGAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC(C)C)cn1 142847428 LSDZJHMGHXEJKA-UHFFFAOYSA-N 352.394 3.157 0 1 FGAF COc1cccc2c1N(C(C)=O)C13CCC4(CCCN5CC[C@@]21[C@H]54)CC3 143871185 PGRMOTGVMPDJPT-XBCQCDMNSA-N 352.478 3.480 0 1 FGAF COc1ccc([C@@H]2NC(=O)Nc3c2c(=O)oc2ccc(C)cc32)cc1OC 96931698 KYCLISLDKGLXMZ-KRWDZBQOSA-N 366.373 3.343 0 1 FGAF N[C@@H](Cc1ccc(Cl)cc1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 95589821 XOXMVRWFWDMQLD-INIZCTEOSA-N 365.824 3.209 0 1 FGAF [C-]#[N+]c1ccc2ncc(-c3noc4cc(C(=O)N5CCOCC5)ccc34)n2c1 145630058 IXNICTFAAMRHNZ-UHFFFAOYSA-N 373.372 3.166 0 1 FGAF C[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cn1 96167834 IMONTZJUVXIAPV-JTQLQIEISA-N 364.388 3.123 0 1 FGAF CCCN1C(=O)N(c2ccc(CC)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 653851554 NBRQZHMZQCICPS-OAQYLSRUSA-N 364.401 3.451 0 1 FGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587075133 CIJUPCFDTILGNR-UHFFFAOYSA-N 360.208 3.185 0 1 FGAF CCCCOc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br 587247322 PFGVBQTWWXJMCX-OAHLLOKOSA-N 354.248 3.079 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2sc(=O)oc12 587415201 QLMMZRQRAIRONT-ZDUSSCGKSA-N 357.387 3.460 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N(CC(=O)O)N=O)cc1)O2 587388293 ZRQCDCBPATVFSH-IBGZPJMESA-N 369.377 3.030 0 1 FGAF COc1cncc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c12 586965695 OVHJFUQUISKGLC-UHFFFAOYSA-N 366.450 3.363 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587400070 OVNORJYBMVENQJ-UWWPHRKUSA-N 358.438 3.024 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C(=O)O)ccc2OC1(C)C 587414991 XGTSOGYGMUSHTB-HXUWFJFHSA-N 353.374 3.307 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2O)N1 587774592 WVVSXAWYEYBXET-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF CCOC(=O)c1ccc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2c1 586921421 HYLWMLHDCZZJMV-UHFFFAOYSA-N 372.446 3.124 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587441736 ILCNJQQOZQNMEO-VBKZILBWSA-N 354.358 3.118 0 1 FGAF COc1cncc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587203953 RFKPDOFWAVAAAB-UHFFFAOYSA-N 367.409 3.484 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1c[nH]c(C(=O)O)c1)C(C)C 963030822 FLKDVVXOSZJUIO-OAQYLSRUSA-N 365.433 3.315 0 1 FGAF C[C@H]1[C@@H](OC(=O)NCc2cccnc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711781 FWEKWNKMHPBLFA-CNTRQJEFSA-N 371.481 3.268 0 3 FGAF COc1ccc(NC(=S)N2CCN(C(=O)CC(C)(C)C)C[C@@H]2C)cc1 1857591637 NZJGALLFFADIPQ-AWEZNQCLSA-N 363.527 3.361 0 1 FGAF COC(=O)c1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 103538842 JLBNYYRKHIQYMG-CQSZACIVSA-N 358.785 3.390 0 1 FGAF O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 101678514 GKAZBENQAFJSMI-QZCPTFHJSA-N 358.397 3.250 0 1 FGAF CC(C)(Cc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28567311 UPRJPIRTNDDJLV-UHFFFAOYSA-N 363.505 3.436 0 1 FGAF COC(=O)[C@@H](C)NC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 8489843 QWCOMTOEAHIEGB-GFCCVEGCSA-N 366.373 3.143 0 1 FGAF biogenic CC1(C)O[C@H]1Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 14819507 YJILLRPKQUAGBQ-INIZCTEOSA-N 354.358 3.297 0 1 FGAF biogenic CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC5(CC5)C4)ncn3)c2c1 221157435 FCIAFJJSYNLEDK-UHFFFAOYSA-N 365.437 3.176 0 1 FGAF COc1ccc(C[C@@]2(C(=O)OCc3ccccc3)CCCN2C(C)=O)cc1 49087660 QWUPCCXKZNXDBJ-JOCHJYFZSA-N 367.445 3.362 0 1 FGAF O=C(NOCCO)c1oc2ccncc2c1Nc1ccc(C2CC2)cc1F 98208434 QSUMKWLIKRKVBF-UHFFFAOYSA-N 371.368 3.242 0 1 FGAF in-vitro O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccccc2[nH]1 586952842 IMRPVANJHZPQJO-UHFFFAOYSA-N 356.432 3.487 0 1 FGAF Cc1nn(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c(C)c1Cl 587065695 VMPINPWQBYRDCS-UHFFFAOYSA-N 372.841 3.470 0 1 FGAF COc1ccc2[nH]c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2c1 587653683 DIHDPQOJNORHIQ-UHFFFAOYSA-N 353.765 3.228 0 1 FGAF COc1cc2c3c(c1)O[C@@](C[C@@H](C)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446642 CTPHVZFOKCNBER-PKQAIAMASA-N 352.386 3.449 0 1 FGAF Fc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)nc1Br 587154658 CSEZQDIEARGAKU-UHFFFAOYSA-N 350.147 3.298 0 1 FGAF CN1C=C[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587335683 HZPXFBIPWXYFLF-UYAOXDASSA-N 353.349 3.005 0 1 FGAF CC1=C[C@@]2(C=C(C(=O)O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587833445 NFRXAASWLLLPQA-PWJLMRLQSA-N 368.202 3.220 0 1 FGAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 586909674 ZZLDLIQFNGQMQN-NSHDSACASA-N 350.353 3.469 0 1 FGAF COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1 587868077 FWFNMEOLVIEOAU-UHFFFAOYSA-N 350.300 3.365 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(C4OCCCO4)cc3)c3cccc1c32 963035583 RYKQEKHBIKYBPY-KKSFZXQISA-N 364.445 3.265 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CC(C)(C)Cc2c1cnn2C 963636163 PZUXRRJGTXVZSN-LRTDBIEQSA-N 355.482 3.188 0 1 FGAF CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cc1 218248428 QGXZMULGONVASD-SFHVURJKSA-N 369.442 3.405 0 1 FGAF COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)O)sc(C)c1C 169689755 CTESPVHSEOQRTH-OIMNJJJWSA-N 363.435 3.003 0 1 FGAF CO/C(O)=C1/C(C)=Nc2nc(SC(C)C)[nH]c(=O)c2[C@H]1c1cccnc1 7990962 BJGJMLRXKNMCAO-IGWPVBGESA-N 372.450 3.319 0 1 FGAF COc1ccc([C@@H]2NC(=N)NC(c3ccc(C)cc3)=C2CC(=O)O)cc1 103262474 GYSQWKCKIPBCDM-IBGZPJMESA-N 351.406 3.058 0 1 FGAF O=C(OCCF)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 101017219 VLIANQRCIMWNHF-ZQDZILKHSA-N 356.235 3.186 0 1 FGAF COc1ccc2c(c1)O[C@H](CNCCc1c[nH]c3ccc(F)cc13)CN2 28571004 NPMDTHGHENPBAJ-MRXNPFEDSA-N 355.413 3.321 0 1 FGAF COC(=O)[C@@H]1CC2=C3C=C[C@H]4C(=O)N(C[C@@H]3CCC3=C2[C@H]1CC3)C[C@@H]4C 2356559413 ASXMVBHXTSDEQQ-YXZFYNSTSA-N 353.462 3.257 0 1 FGAF CCCNC(=O)c1cc([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)on1 61926815 VNJMQGRWSYOBHT-AWEZNQCLSA-N 373.428 3.282 0 3 FGAF CO[C@@H]1C=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](O)CC[C@]1(C)O 2356751172 MSXZCYVPXWHMLP-RMVXJAJNSA-N 366.498 3.292 0 1 FGAF O=C(Nc1ccccc1-c1nnn[nH]1)c1cccc2c1C(=O)c1ccccc1-2 35791912 BLELSELIFOYDOU-UHFFFAOYSA-N 367.368 3.330 0 1 FGAF CN1CCC[C@@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 36289027 PZWKLTYXDORWCQ-OAHLLOKOSA-N 364.449 3.434 0 1 FGAF C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccccc2)C1=O 72107004 OJVAEMSSXYGJMZ-HNNXBMFYSA-N 362.183 3.065 0 1 FGAF CCCCN(C)C(=O)CSc1nnc2c3ccccc3n(CC)c2n1 7096719 RITBJQWWUZTTFX-UHFFFAOYSA-N 357.483 3.350 0 1 FGAF biogenic O=P(O)(O)COc1ccc(-c2ccncc2)c2c1-c1ncsc1C2 45374916 IWDOFBSAXXYNKB-UHFFFAOYSA-N 360.331 3.290 0 1 FGAF CCCS(=O)(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1 40504269 CUURNOVXZSVESJ-UHFFFAOYSA-N 359.451 3.304 0 1 FGAF CCNC1=N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1C 199432111 PKYYJBCMUKRHCY-CQSZACIVSA-N 355.360 3.104 0 3 FGAF COc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1OC 82204207 JMRLWEKKLBFODX-HUUCEWRRSA-N 372.469 3.028 0 1 FGAF COc1cc2nc(N3CCOCC3)nc(NCCC(C)(C)C)c2cc1OC 82129634 DLEUNMVJOPJWLP-UHFFFAOYSA-N 374.485 3.332 0 1 FGAF COc1ccc(-c2[nH]nc(N)c2-c2cc3c(c(OC)c2OC)OCO3)cc1 96921442 ORXYSOGQVLJLHM-UHFFFAOYSA-N 369.377 3.080 0 1 FGAF NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2CS1 96929121 PXQWSONWLAAKGA-APPDUMDISA-N 358.854 3.264 0 1 FGAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 142974856 XBSGAUCAECNNOD-LSDHHAIUSA-N 359.437 3.140 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCNc3nc(OC)ccc31)CC2=O 587478639 BDEBUNLFKIIRQB-HXUWFJFHSA-N 354.406 3.425 0 1 FGAF CC(C)(C)[C@]1(CS(C)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587529931 CPYZGRWUWRSHFE-LJQANCHMSA-N 350.480 3.360 0 1 FGAF CCOC(=O)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383197 YUYRTMPBCJSHCH-LJQANCHMSA-N 361.344 3.279 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)o1)CC2=O 587476404 SWZXUKCWMKRZRE-GOSISDBHSA-N 357.406 3.481 0 1 FGAF CCOC(=O)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796464 KHTDNVOBKGOILX-XXFAHNHDSA-N 356.235 3.291 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCN(C)C)cc1)[C@@H](C2)C3=O 587430472 UEDCPIMNHDUOGP-AVRDEDQJSA-N 367.445 3.298 0 1 FGAF CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382653 NJJVGXDPXOUVCA-DVESRUBUSA-N 369.364 3.030 0 1 FGAF C[C@H]1CCC[C@H](NC(=O)COC(=O)CCC(=O)c2cccs2)[C@@H]1C 5078745 JKLZLEHKDMFFMK-MJBXVCDLSA-N 351.468 3.195 0 1 FGAF OCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)[nH]cnc-3n2)cc1 1857745474 DUJFULDKIMTVNA-LJQANCHMSA-N 360.417 3.214 0 1 FGAF CC(C)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C 100831460 NJORTSQFZWUIIE-ROUUACIJSA-N 370.541 3.049 0 1 FGAF CC(=O)c1c(C)[nH]c2ccc(OC[C@H](O)CNCCc3ccccc3)cc12 21167870 ZMSLYCQAKZPYMI-GOSISDBHSA-N 366.461 3.251 0 1 FGAF CC(=O)OCC[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2CC(C)(C)C[C@H]21 2356284224 SKPUHXLYHIKKLH-NMDDUFOESA-N 368.470 3.265 0 1 FGAF Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C(=O)N2)cc1 26572580 BLMREXKWWLHUKZ-HNNXBMFYSA-N 350.827 3.104 0 1 FGAF CCc1c(O)n([C@H](C)CC)c(SCC(=O)Nc2ccccc2)nc1=O 100506827 IFUSDQNKCDLSJO-GFCCVEGCSA-N 361.467 3.213 0 3 FGAF N[C@@](CC1c2ccccc2Sc2ccccc21)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27184240 RCZCOJYFXWJEMJ-XBHMSOGKSA-N 369.442 3.176 0 1 FGAF O=C(O)COc1c(O)cc(Br)cc1OCc1ccccc1 28825953 QGXDUZLGFCHZQT-UHFFFAOYSA-N 353.168 3.197 0 1 FGAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@@H]3C=C12 504399401 IQLCNKFYAQMXOI-ZDWTUXFCSA-N 373.493 3.060 0 1 FGAF biogenic C[C@@H](O)c1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380679 JSCKNKLLUFQKEX-SNVBAGLBSA-N 357.410 3.190 0 3 FGAF CCCCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272624 WYINIEHHKOBOQL-MRXNPFEDSA-N 366.849 3.235 0 1 FGAF CN1CCO[C@@](O)(c2ccc(-c3ccc(Br)s3)cc2)C1 40861817 QCTLNONBTPJDIT-OAHLLOKOSA-N 354.269 3.285 0 1 FGAF CC(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 143662512 SEBIPHAOUSNXEJ-UHFFFAOYSA-N 367.434 3.485 0 1 FGAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 238742698 OSTWBWVLHIOYRT-VQTJNVASSA-N 370.401 3.292 0 1 FGAF O=Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)n1 653740684 MZWFSHNLGOBBSZ-HNNXBMFYSA-N 350.378 3.219 0 1 FGAF CCOC(=O)CC[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393814 NDJNRXAGHKQXHC-FQEVSTJZSA-N 354.406 3.176 0 1 FGAF CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCCCO4)n1 586966231 BOFRXQKLMHSSFL-UHFFFAOYSA-N 358.423 3.075 0 1 FGAF CCOC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587438421 ODONEDGDMYSIBY-SPLOXXLWSA-N 369.417 3.480 0 1 FGAF NC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512564 YPKPDFVZLDLTBQ-LJQANCHMSA-N 351.402 3.136 0 1 FGAF C[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)C=C(c2ccccc2F)NO1 587155049 HOSROMPBKKTDMK-GOSISDBHSA-N 351.341 3.075 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cn2)N1 587770313 IOPHVOAYHSRBHC-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF COC(=O)CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517378 MDAKBOSPBLKZDA-GOSISDBHSA-N 354.406 3.032 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587435750 JIIUMAZUINXGIK-FLYNJVNLSA-N 371.433 3.211 0 1 FGAF Oc1nc(O)c2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587152167 XBAMFARUKBSRFG-AWEZNQCLSA-N 370.315 3.211 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)CCC(=O)O)N1 587827309 KIDNDKLOXZYINB-FVMDXXJSSA-N 372.234 3.162 0 1 FGAF O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1 586924242 MOWBZFZUKOJKNM-SREVYHEPSA-N 353.325 3.421 0 1 FGAF O=C([C@H]1CCOC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655905 HNNWJDQBRMQZOQ-LBPRGKRZSA-N 356.328 3.018 0 1 FGAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587388430 BTVWRDXBFKNEEC-IBGZPJMESA-N 358.394 3.118 0 1 FGAF CS(=O)(=O)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587209928 XJUWJGTYZAWRHY-LBPRGKRZSA-N 363.438 3.348 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(C)nccc2[nH]1 586985691 ZUJOUZVTSLUNLX-HNNXBMFYSA-N 373.254 3.449 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1nccnc1-c1ccncc1 963256141 AMYHWCGTIMJHLM-SFHVURJKSA-N 352.825 3.436 0 1 FGAF C[C@H]1C[C@@H](C)C[C@@H]([C@@H]2C[C@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H]1O 5539500 GZWODCBDYVQTID-SOFGRSAHSA-N 365.514 3.190 0 1 FGAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3ccccn3)sc2c1=O 1857595412 CURVGAIAJAOZCD-UHFFFAOYSA-N 369.837 3.365 0 1 FGAF CCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C(CC)CC)C1=O 1857599958 LCIQRHBREJGTNJ-UHFFFAOYSA-N 353.466 3.446 0 1 FGAF CS(=O)(=O)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)n[nH]1 1857751744 NZKCPGPUDOSFCE-UHFFFAOYSA-N 358.206 3.442 0 1 FGAF COc1ccc(-n2c(SC)nc(=O)c(Cc3ccccc3)c2O)cc1 100507149 UWJLBQHBUVBKMX-UHFFFAOYSA-N 354.431 3.259 0 3 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 27640022 XEYBRNLFEZDVAW-MEWMNREUSA-N 352.471 3.251 0 1 FGAF Cc1ccc(C2=NN(c3nnc(S)n3-c3ccccc3)C(=O)CC2)cc1 66102973 ZQMAKJBRFWNDTK-UHFFFAOYSA-N 363.446 3.396 0 1 FGAF COc1cc([S@@](C)=O)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3 29307977 QWQSYPLDOIAGAG-SANMLTNESA-N 369.446 3.206 0 1 FGAF Cc1cc(NC(=O)c2cccs2)ccc1OC[C@@H](O)CNC(C)(C)C 25982533 RLCYCODCOCEIAK-HNNXBMFYSA-N 362.495 3.437 0 1 FGAF CC(C)=CCc1ccc2c(C[C@@H]3NC(=O)[C@H](CC(C)C)NC3=O)c[nH]c2c1 2356698129 IQXLYGNDMKLCLM-PMACEKPBSA-N 367.493 3.248 0 1 FGAF Cc1nn(Cc2ccc([C@@H](O)Cc3ccccc3)cc2)c(C)c1CC(=O)O 113988357 HXQOAXDZKXEBII-NRFANRHFSA-N 364.445 3.451 0 1 FGAF COc1cc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)[nH]n2)cc(OC)c1 61927028 GWTUJJBRICSTAY-UHFFFAOYSA-N 369.396 3.471 0 3 FGAF N#Cc1cccc(-c2c(C(F)F)[nH]c3ncnc(N4CCOCC4)c23)c1 216471746 ONPUDLCOMXVDQL-UHFFFAOYSA-N 355.348 3.271 0 1 FGAF CN1[C@H]2O[C@H]3Cc4cc5c(cc4[C@@H]1[C@@]3(C)c1ccc3c(c12)OCO3)OCO5 33830333 MARJZNJEWWKEKF-CZGNIMDHSA-N 365.385 3.042 0 1 FGAF biogenic,in-vitro CCCCCN1C(=O)[C@@](CO)(c2ccc3c(c2)OCO3)c2ccccc21 71335451 OKBTXGHJHQFMET-NRFANRHFSA-N 353.418 3.231 0 1 FGAF Cc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 72123248 CLDGOUPTBINSFX-UHFFFAOYSA-N 361.449 3.385 0 1 FGAF NCCC(=O)N1CCc2c([nH]c3c(Cl)cccc23)[C@H]1c1cccc(O)c1 49589023 YKGYNBPZQNNYOZ-HXUWFJFHSA-N 369.852 3.350 0 1 FGAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](OC(=O)[C@@H]4CC4(F)F)CC3)c12 1911570982 BIIGDQLBRHHTPY-NHCYSSNCSA-N 351.353 3.197 0 1 FGAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(C)c3)ncn2)c1 198437491 WJHKUMPTDFBBGR-UHFFFAOYSA-N 369.450 3.180 0 1 FGAF CN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N 95605866 NDXIZMXUTQMJAP-HXUWFJFHSA-N 368.868 3.356 0 1 FGAF COC(=O)CCC(=O)c1cnc2c(c1)[C@]13C[C@@H](C)C[C@H](C2)[C@@H]1CCCN3 238732441 AYWQLULMTJAHKZ-WMGWYHAVSA-N 356.466 3.015 0 1 FGAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@@H]2F)c(O)nc1=S 253708568 VGHNMFKDHUBHJR-ORIJERBGSA-N 368.405 3.417 0 1 FGAF CCCCCNc1nc(N)nc2c1cc(-c1ccc(F)cc1)c(=O)n2C 653715020 YGIXPTSHTCXJAT-UHFFFAOYSA-N 355.417 3.319 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc([C@H](O)C(C)(C)CO)[nH]c3c2)cc1 586900259 CAYKEBBPPIVANU-KRWDZBQOSA-N 370.405 3.194 0 1 FGAF COC(=O)[C@H]1CCc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440665 AIKRSOGAEPQUPX-YVHKJVDXSA-N 364.397 3.074 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2O)N1 587771574 MMPZGPAJQNASST-JDNHERCYSA-N 351.219 3.487 0 1 FGAF CCOC(=O)C1(C)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593870 FOYPIHPKUISQJB-YMTQGWHGSA-N 368.385 3.456 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587229916 DKQWXWYPVFKKST-GHMZBOCLSA-N 370.375 3.013 0 1 FGAF COc1ccc(C=O)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587787309 NJHFWFYRCDIBGJ-UHFFFAOYSA-N 356.691 3.465 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(F)(F)F)nn1C)[C@@H](C2)C3=O 587423224 SHJQXWYDNMEZNO-QFYYESIMSA-N 352.312 3.110 0 1 FGAF CCOC(=O)c1ccccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963020200 GAIUTXSYBXDPIZ-ZUOKHONESA-N 350.418 3.006 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@](C)(c3cc(F)c(N)c(F)c3F)c3cccc1c32 963022921 HWJONLYMTCEAHL-ZRNGKTOUSA-N 361.367 3.003 0 1 FGAF CC(=O)N[C@@H]1CCCc2c1cncc2N1CCc2cc(Cl)ccc2C1=O 224482272 ZDOJNHDMMPGPCQ-GOSISDBHSA-N 369.852 3.451 0 1 FGAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(OC)nc3)nc21 5841899 NCVOSWVSMRJCQB-UHFFFAOYSA-N 361.405 3.295 0 1 FGAF Cc1cc(Br)ccc1NCc1cnc2nc(N)nc(N)c2c1C 5892189 WZNLTWJDSXSIHR-UHFFFAOYSA-N 373.258 3.181 0 1 FGAF Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc(C)n1 12203583 ZLOKMVYLBQNNBQ-MRXNPFEDSA-N 365.412 3.226 0 3 FGAF COc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528584 OIHJIUCRCIYZJQ-UHFFFAOYSA-N 356.399 3.386 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Sc1cccc(F)c1)C(=O)CC2 13744792 DGOKANWSGARZDT-UHFFFAOYSA-N 351.424 3.477 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN1[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]3[C@@H]3C[C@H]5[C@H]([C@H]32)[C@]41O 169290558 WSCFZTLXQHUMEA-OTZYVUFCSA-N 354.538 3.029 0 1 FGAF COc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C 169687180 IGXVWJWCUSMRHI-RTBURBONSA-N 365.429 3.303 0 1 FGAF COCCCOc1cccc([C@@H]2NC(=O)N=C3c4ccccc4C(=O)[C@H]32)c1 169726019 IBKMWBNOXGSSRZ-ROUUACIJSA-N 364.401 3.168 0 1 FGAF COc1cc2onc(C3CCN([S@@](=O)C(C)(C)C)CC3)c2cc1OC 206029402 TXHXPEVUICFBPM-VWLOTQADSA-N 366.483 3.487 0 3 FGAF O=C(NCc1nc2ccccc2[nH]1)Nc1nc(-c2ccncc2)cs1 167385920 JCXSZGXNYONMDO-UHFFFAOYSA-N 350.407 3.403 0 1 FGAF NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1 1483643 UFJILQXRMNERCL-UHFFFAOYSA-N 374.396 3.405 0 1 FGAF in-vivo CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049108 JXNYBDJEZKUIEO-PZJWPPBQSA-N 365.477 3.236 0 1 FGAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1ccc(O)nn1 101125250 SBQXHJZXGWOSEK-WKILWMFISA-N 355.438 3.188 0 1 FGAF Fc1ccc(/C=C2\CNC[C@H]3[C@@H](c4ccc(F)cc4)NC(=S)N[C@@H]23)cc1 103231038 JBCXXGLQQIFZNP-JRSOVWTGSA-N 371.456 3.155 0 1 FGAF Nc1nnc2c3ccccc3c(Oc3ccc(Br)cc3)nn12 64447077 RNLSQZLQJQNNHL-UHFFFAOYSA-N 356.183 3.415 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@H]1C 2356456247 WKZIMJTUNFMKDY-GAVMYAFLSA-N 360.450 3.498 0 1 FGAF CCN(CC)C[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356746272 JEHHSBMABMVSQZ-BJLQDIEVSA-N 362.445 3.274 0 1 FGAF CC(=CCc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 2356762396 WTAGIHGECXTWAX-YCRPNKLZSA-N 368.385 3.212 0 1 FGAF COCCNc1nc(NCc2cccc(OC)c2OC)c2sccc2n1 61902761 GLADHPVTYPSQOL-UHFFFAOYSA-N 374.466 3.379 0 3 FGAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219950501 XUGAOOQYBZSMCP-ZXSNAGKJSA-N 358.475 3.010 0 1 FGAF in-vitro COc1cccc(S(=O)(=O)c2c(C)n(CC(=O)O)c3ccc(C)cc23)c1 34096431 LTZIPSVUUPYNGF-UHFFFAOYSA-N 373.430 3.184 0 1 FGAF NCc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 40862059 SZUBOQCWAJPLAO-UHFFFAOYSA-N 374.190 3.233 0 1 FGAF C[C@H](Nc1ncc2nc(NCc3ccccc3Cl)n(C)c2n1)C(C)(C)O 40567750 VVNVDLSBGDBNRW-NSHDSACASA-N 374.876 3.200 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 221130419 UPFJYINMUCLZAF-CYBMUJFWSA-N 353.426 3.032 0 1 FGAF Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3)nn2c(=O)c1C 147352879 OZDDUPDYJMPJLC-KRWDZBQOSA-N 350.422 3.007 0 1 FGAF CCOC(=O)c1ncn2c1CN=C(c1ccc(OC)cc1)c1ccccc1-2 95555301 JQUMJPWOJLCRNJ-UHFFFAOYSA-N 361.401 3.409 0 1 FGAF Cc1cccc(N2CCC(Nc3ccc(C(N)=O)c4ncncc34)CC2)c1 147641016 VHEVQXUDWIFLKB-UHFFFAOYSA-N 361.449 3.118 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c([C@](C)(O)C(C)C)nc2c1 586888722 LVHIXESMTQOUIP-OAHLLOKOSA-N 355.232 3.366 0 1 FGAF COC(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587765738 DDLNPCHOFYCBOH-JTQLQIEISA-N 371.250 3.180 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2cc1OC 587137104 SZYSLBDQDNHGEF-UHFFFAOYSA-N 351.284 3.025 0 1 FGAF Clc1cccc2nc(-c3nccnc3I)[nH]c12 587186641 MNAUDEHSRKRXIF-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1nccn1C)(C1CCOCC1)CC2=O 587470826 MJKYYVLWENTFHX-OAQYLSRUSA-N 370.449 3.366 0 1 FGAF C=C1NC(=O)C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)=C(C)N1 586990602 ZPYSOFUTGSMMDR-UHFFFAOYSA-N 369.380 3.073 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C=C[C@H]2C[C@H]1C(=O)O 587829071 VUDUDLWDINMVOO-FSSZQWERSA-N 366.230 3.224 0 1 FGAF COC(=O)c1ccc2c(c1)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772621107 QEUWJQXZXZICOI-OAHLLOKOSA-N 366.461 3.229 0 1 FGAF Cc1coc(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)c1 1772579402 QYROUEPGMALNNI-UHFFFAOYSA-N 364.405 3.083 0 1 FGAF COCCCNC(=S)N1CCC[C@@H](c2nc3cc(C)c(C)cc3[nH]2)C1 13556116 DMMZBVMRVHFAGC-OAHLLOKOSA-N 360.527 3.270 0 3 FGAF CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2sccc2C)C1 15077529 KONXYJMNOMURIU-CYBMUJFWSA-N 361.467 3.051 0 1 FGAF CS(=O)(=O)c1ccc(-c2nc3cnc(Nc4ccccn4)cc3[nH]2)cc1 1857763071 CYSSINZATSSUEN-UHFFFAOYSA-N 365.418 3.167 0 1 FGAF CCCOc1ccc(-c2nc(N)c(Cc3ccccc3F)c(N)n2)nc1 116191273 YSMGQFWDABHTGT-UHFFFAOYSA-N 353.401 3.222 0 1 FGAF CCC[C@H](C)NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 753834 MKJVCTQFIXPQPV-NSHDSACASA-N 362.499 3.063 0 1 FGAF CC(=O)Nc1ccc(C(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 3253538 NWXXDFOOEHAFBN-DYESRHJHSA-N 372.465 3.229 0 1 FGAF CC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2F)CC1 6746949 VKFPNXYBDQLUBD-UHFFFAOYSA-N 361.438 3.137 0 1 FGAF CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)O1 52912461 AXOOAYBWBNKSBJ-UHFFFAOYSA-N 356.825 3.270 0 1 FGAF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CN 114099596 ZZNYJVPPIKMXAB-ZDUSSCGKSA-N 354.878 3.081 0 1 FGAF CCCCCC(=O)CC[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356410673 APHSFGGFXCDPTM-JPLJXNOCSA-N 370.486 3.202 0 1 FGAF Cc1cnsc1[C@H](c1ccc(C(C)C)cc1)N1CCN(CCO)CC1 28254327 WMCUNZCYNOEMSE-IBGZPJMESA-N 359.539 3.274 0 1 FGAF NCc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1 36161249 DAXOGPJPUPPMHH-UHFFFAOYSA-N 357.369 3.036 0 1 FGAF COc1cc(-c2cc(=O)c3ccc(OC(C)=O)cc3o2)cc(OC)c1O 40950086 QKUBDHPBLXARRP-UHFFFAOYSA-N 356.330 3.108 0 1 FGAF CCC(=O)N[C@@H](C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1 222608220 JUCLNABQMVKVJB-LBPRGKRZSA-N 370.478 3.184 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(OC2=O)Oc2cc(C(C)C)ccc2C1=O 95586937 JPWFZHJOEKRNJJ-FQEVSTJZSA-N 354.358 3.426 0 1 FGAF Cc1ccc2oc(CSc3nc4nc(C)cc(C)n4n3)cc(=O)c2c1 96910575 AADNDRIZUDLFRZ-UHFFFAOYSA-N 352.419 3.448 0 1 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 102932215 FFVRRQMGGGTQRH-FXMYGGSYSA-N 354.450 3.042 0 3 FGAF biogenic CCc1cc(O)nc(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)n1 299825004 ULDVDULVYHEREY-UHFFFAOYSA-N 371.846 3.029 0 1 FGAF COc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2OC)cc1 653702447 RVAZGTQAXYKGHW-UHFFFAOYSA-N 351.406 3.128 0 1 FGAF COC(=O)C[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990745 DLUVXUCKKADAHS-LLVKDONJSA-N 359.381 3.430 0 1 FGAF COC(=O)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 587004049 QCFQMRRHYYUMRV-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587225260 OZRIAMSPMBHDDX-UHFFFAOYSA-N 357.341 3.042 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CO)c1 587606720 FLYBSLGBOAZBBC-WIYYLYMNSA-N 364.353 3.293 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586898960 UDAGKMOEBCIQTK-UHFFFAOYSA-N 365.414 3.250 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cnc3ccccc3c2[nH]1 587231348 NPTPNXDXZMMLFW-ZIAGYGMSSA-N 352.438 3.148 0 1 FGAF NC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573342 VXXOLZFBIPJQPZ-GHTZIAJQSA-N 365.360 3.347 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncnn3c2)N1 587789575 ACKDYYIDSBNOSM-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF N=C(N)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587002969 IQTVLLWGTSIYDU-UHFFFAOYSA-N 355.199 3.153 0 1 FGAF O=C(O)CCN(CCc1nc2cc(Cl)cnc2[nH]1)Cc1ccccc1 587193984 VRSMYPCJQPCWHV-UHFFFAOYSA-N 358.829 3.131 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1CCSCC1)[C@@H](C2)C3=O 587451817 KYIGPQOSEUICRN-RIFZZMRRSA-N 359.491 3.173 0 1 FGAF CC1=C[C@@]2(C=C(C(=O)O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587833442 NFRXAASWLLLPQA-BCTVWOGZSA-N 368.202 3.220 0 1 FGAF CC(C)(O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963215551 BRENETWAUHAATC-PMACEKPBSA-N 362.429 3.151 0 1 FGAF Cc1ccc(OC2CN([C@H](C)c3nc(O)c4cnn(C(C)C)c4n3)C2)cc1 1772642860 WFAYHUYBSMWTJA-CQSZACIVSA-N 367.453 3.245 0 1 FGAF COc1ccc(-c2ccnn2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772600966 XCIOVMXVUVYTTP-UHFFFAOYSA-N 356.378 3.279 0 1 FGAF CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1 12301774 KPVCVIZNBWYLHJ-UHFFFAOYSA-N 364.396 3.280 0 1 FGAF CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1 13589435 OVNAALASBQXMOG-ZDUSSCGKSA-N 354.472 3.017 0 1 FGAF O=C(c1cc(C(F)(F)F)no1)N1CC[C@H](c2cc3ncccc3[nH]2)C1 1857545369 DEPQGJPHXLAVKL-VIFPVBQESA-N 350.300 3.199 0 1 FGAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2ccc(F)c(F)c2)nn1 1857562659 TXFARQPKOGAUMN-VQHVLOKHSA-N 355.344 3.361 0 1 FGAF COc1c(O)cc([C@@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)cc1O 1857652304 PKQKRLPQTWWLMY-AWEZNQCLSA-N 360.362 3.144 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 6031870 GRTOGORTSDXSFK-BMHLXIAXSA-N 352.434 3.179 0 1 FGAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100276058 RDDSSNCMUUKINF-IRXDYDNUSA-N 365.410 3.493 0 1 FGAF O[C@@H](CCN1CCN(c2ccccc2)CC1)COc1ccc(Cl)cc1 29481067 MFKNKGAKZRYZEU-IBGZPJMESA-N 360.885 3.292 0 1 FGAF CCCCCOc1ccc([C@H](CO)NC(=O)c2cc(CC)nn2C)cc1 103169995 ZHDZVJPNDUTPHB-SFHVURJKSA-N 359.470 3.015 0 1 FGAF CCN(CC)CCN(C(C)=O)[C@H]1c2ccccc2OCc2ncccc21 27877956 XVYMBVCFYNMSTC-OAQYLSRUSA-N 353.466 3.254 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2[C@@H](O)C(=O)O 2356488426 MBFXNYXLPHWLJQ-UNBAYPBJSA-N 350.499 3.452 0 1 FGAF O=C(O)c1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356508757 PJWVAAKQVGEWFF-MAUKXSAKSA-N 369.396 3.000 0 1 FGAF O=C(c1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356542586 YBSLQXRHDUPOIN-RHSMWYFYSA-N 357.360 3.081 0 1 FGAF CC(=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12)CO 2356614879 MEADLGUPYQNUNF-UHFFFAOYSA-N 354.358 3.058 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356657016 QWSTXDYLWYYYTH-HWCCDPAYSA-N 355.482 3.348 0 1 FGAF CN1CCC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862375 YDMXRHFTXAEAFG-HNNXBMFYSA-N 373.453 3.275 0 1 FGAF COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C)NC2(C)C)c2ncccc2c1 45289560 KJTHKMJERXZIQY-HUUCEWRRSA-N 370.497 3.380 0 1 FGAF Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCO)c1-c1cc(F)cc(F)c1 43011706 YECGWTLQNHYAPE-CJNGLKHVSA-N 353.388 3.109 0 1 FGAF Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 49048180 MHQPSTJMZXNOSA-UHFFFAOYSA-N 371.318 3.234 0 1 FGAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(=O)[nH]cn3)c2F)cn1 224562965 SRGKNOMPPUXLSZ-UHFFFAOYSA-N 353.357 3.008 0 1 FGAF C[C@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 49938532 SSEQCILHYYXXBA-WLRWDXFRSA-N 369.852 3.348 0 1 FGAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82203956 LRBWOJKYPLHTQM-XJKSGUPXSA-N 359.518 3.113 0 1 FGAF O=C(Nc1ccc2[nH]c(Cc3c[nH]c4ccccc34)nc2c1)[C@H]1CCCN1 96906790 FSUGJBWDOIVSMH-GOSISDBHSA-N 359.433 3.326 0 1 FGAF COc1ccc2c(c1)[n+](=O)c(C(F)(F)F)c(C(=O)c1ccccc1)n2O 377836372 QBMATZDFALBLQU-UHFFFAOYSA-N 365.287 3.052 0 1 FGAF COc1ccc([C@]2(O)COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1 40873961 NHWGLCDIXCJLLD-OAQYLSRUSA-N 354.402 3.408 0 1 FGAF biogenic COc1cc(Cl)cc(C=O)c1OCc1nc2c(Cl)ncnc2[nH]1 587065456 QZNDALKZJXSXCQ-UHFFFAOYSA-N 353.165 3.060 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](N=O)C(=O)Nc1ccccc1)O2 587392327 XYGVKYIZACDUMO-PKOBYXMFSA-N 353.378 3.075 0 1 FGAF COc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc(OC)c1O 587784474 HKOUQMLHFQUWRE-UHFFFAOYSA-N 364.199 3.419 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc3c(C)cc(=O)oc13)O2 587409664 SFJTXWZWVJAZPQ-MRXNPFEDSA-N 351.358 3.404 0 1 FGAF CCc1cc(O)nc(SCc2nc3c(Br)ccnc3[nH]2)n1 586968073 LJGCFMJMVSCHJQ-UHFFFAOYSA-N 366.244 3.071 0 1 FGAF COC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 587008532 XWZWKDXTWJKALB-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 587095286 ZWDXGMXGNBHRFR-LURJTMIESA-N 363.723 3.133 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cnc4ccc(Cl)nn14)[C@@H](C2)C3=O 587420852 MIVMLXGHRNWYLD-VOJFVSQTSA-N 355.781 3.054 0 1 FGAF COc1cc2c(cc1OC)C1(CN(Cc3ccccc3)C1)N(C)[C@@H](C)C2 962640718 WZENJSHMODFMMY-INIZCTEOSA-N 352.478 3.291 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(C)c1c[nH]c(C(=O)NC[C@H]2CCCO2)c1 963010281 NAAGEFWMNSBDHA-QRWLVFNGSA-N 373.522 3.011 0 1 FGAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)[nH]1 962630064 HGQNEMURVYASQN-IUODEOHRSA-N 354.328 3.218 0 1 FGAF CCN1Cc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1 1772610873 FDJPILDJDUAJCG-UHFFFAOYSA-N 364.858 3.480 0 1 FGAF O=C(NC1CCCC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135457 QMYLVAIHJYUFNR-UHFFFAOYSA-N 371.506 3.450 0 1 FGAF CCCn1c(=O)c2nc(C([C@@H]3C[C@@H]3C)[C@@H]3C[C@H]3C)[nH]c2n(CCC)c1=O 13889617 HMVSPWMLAUTJBO-PFNKYVCDSA-N 358.486 3.102 0 1 FGAF CC(C)n1cnc2c(Nc3ccc(F)c(Cl)c3)nc(NCCO)nc21 15974678 UAXQDGFGXCUETP-UHFFFAOYSA-N 364.812 3.348 0 3 FGAF CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 205183159 WDIPOFXLEMHBJM-UHFFFAOYSA-N 354.450 3.179 0 1 FGAF CNC(=O)Nc1cc(Oc2cncc(C)c2)c([C@H]2CCC[C@H](O)C2)cn1 1857601059 HYCSKZFLJZABFW-KBPBESRZSA-N 356.426 3.347 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2cccc(F)c2)C[C@@]1(O)C(F)(F)F 1857752008 ONNGADYKLJNXST-QGZVFWFLSA-N 366.314 3.256 0 1 FGAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 1618032 QVECYZNLDSHKCT-NMIHRBCNSA-N 366.461 3.429 0 1 FGAF O=C(c1cc2ccccn2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4057156 AIZJCFATYUAPTF-UHFFFAOYSA-N 374.366 3.316 0 3 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC[C@@H]2C=CCC2)c(=O)[nH]c1=O 6425240 HLEGFMMPJFQDLU-MRXNPFEDSA-N 366.461 3.303 0 1 FGAF Cn1cc(C(=O)NC[C@H]2CCCO2)c(Oc2cccc(C(F)(F)F)c2)n1 103294683 MZXQHGBRVXLHGS-CYBMUJFWSA-N 369.343 3.140 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)O 100399272 CIMMACURCPXICP-VXXRCUPHSA-N 354.487 3.475 0 1 FGAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)CCCN 29051828 CNMPLLIERZWKRQ-DJTSXAEDSA-N 363.542 3.039 0 1 FGAF O[C@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 28013274 FVDZPSYIYQITNI-OAHLLOKOSA-N 355.463 3.297 0 1 FGAF CCCNc1nc2c(s1)C(=O)N(c1cc(C(=O)NCC)ccc1C)C2 29041461 JZAVADFQZOENPI-UHFFFAOYSA-N 358.467 3.184 0 1 FGAF CC(C)(C)NC(=O)N[C@@H]1[C@@H](O)c2cc(C(F)(F)F)ccc2OC1(C)C 29392892 ACNCDPILCKUBPL-QWHCGFSZSA-N 360.376 3.376 0 1 FGAF O=C1c2cccc3c2c(nn3Cc2ccccc2)CN1[C@H]1CN2CCC1CC2 66101780 QOGFHRRNPRRNAI-NRFANRHFSA-N 372.472 3.135 0 1 FGAF COC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21 28528397 XFHYENOGWKYKLE-UHFFFAOYSA-N 370.493 3.120 0 1 FGAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1n[nH]c(SC)n1 26675480 SKERMQYSWYALNL-UHFFFAOYSA-N 369.472 3.316 0 1 FGAF O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cccnc1 39353701 MHIDWCCONTUAPS-JOCHJYFZSA-N 373.456 3.334 0 1 FGAF O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2 34094824 BUOWEYLLAFLKCW-FQEVSTJZSA-N 350.422 3.125 0 1 FGAF in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82069206 CYVPKBKJAXKHOX-KRWDZBQOSA-N 364.401 3.164 0 1 FGAF CNc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 40849110 QZQSJZJJAOMHNA-UHFFFAOYSA-N 351.341 3.157 0 1 FGAF CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)C1 84712750 UOLBAUIULVEMBR-UHFFFAOYSA-N 358.344 3.241 0 1 FGAF CCOc1cc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)ncn1 96173030 BPQZOZJLUKGNJT-CQSZACIVSA-N 355.438 3.226 0 1 FGAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC1CCCCC1 95568691 OAHWRCXNKMILJZ-HXUWFJFHSA-N 353.470 3.139 0 3 FGAF c1cc2c(c(OC3CCOCC3)n1)C(c1cnn(C3CCCC3)c1)=NC2 96175974 AIIBRSLHPMWKCZ-UHFFFAOYSA-N 352.438 3.302 0 1 FGAF O=C(Nc1ccccc1)C1=Cc2cc(Br)ccc2S1(=O)=O 473154789 LUCJKXZDLBUEID-UHFFFAOYSA-N 364.220 3.216 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H](C2)C3=O 587439888 XEFVRGLTJDDXMN-PYDTXJQDSA-N 373.449 3.458 0 1 FGAF CN(C)/C=C\[C@@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587516748 VXHQYDPJEKVOMC-BUVUWQSRSA-N 351.450 3.235 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3C)N1 587761010 SAPKVSRYHFTJFG-QGHHPUGFSA-N 364.262 3.436 0 1 FGAF CC1(C)[C@H](C(=O)O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607924 IVNUJOPEJJODEO-NRKGENKXSA-N 354.358 3.223 0 1 FGAF CC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579502 OKVCYNZIECGRAK-TUVDCLKLSA-N 367.401 3.171 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3CCN(CC3)C2)N1 587795542 YEHSATUUTCTLPG-APPDUMDISA-N 353.279 3.433 0 1 FGAF N=c1[nH]ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985258 SSZSDEXHMJRHHE-OAHLLOKOSA-N 372.270 3.318 0 1 FGAF NC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006766 RQHULXCKNJPOEO-UHFFFAOYSA-N 355.195 3.344 0 1 FGAF CS(=O)(=O)c1ccc(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874766 BJMWIYDRZGYWFN-UHFFFAOYSA-N 373.365 3.279 0 1 FGAF CN(C)CCOc1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587161725 BRGOSCLARORFAU-UHFFFAOYSA-N 355.413 3.458 0 1 FGAF Clc1ccc2c(c1)C[C@@H](c1nc3nc(Br)c[nH]c-3n1)O2 587081104 SDHXRHVJBPMZKI-VIFPVBQESA-N 351.591 3.397 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963603217 BOTSZXKCGYOAGA-MPBGBICISA-N 371.433 3.123 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(Cl)cc(C(=O)O)c3)c3cccc1c32 963039586 YMMDROWKNAEWNT-SGTLLEGYSA-N 356.809 3.181 0 1 FGAF CCOC(=O)c1csc(-c2csc(-c3csc(CO)n3)n2)n1 1772629019 WHAPWOBVYADBIE-UHFFFAOYSA-N 353.450 3.059 0 1 FGAF CCCCN=c1[nH]c(=N)[nH]c2cccc(C(=O)N[C@H](C)c3ccccc3)c12 1857645710 WDFAZLUMAXOURM-CQSZACIVSA-N 363.465 3.167 0 1 FGAF Nc1ccccc1NC(=O)c1ccc(/C=C/C(=O)NCc2cccnc2)cc1 29133443 GUGKGOAKALMJOV-FMIVXFBMSA-N 372.428 3.246 0 1 FGAF N=C(N)c1ccc(-c2ccc3nc(-c4ccc(C(=N)N)cc4)cn3c2)cc1 29124325 BUIKEENCDOCRGC-UHFFFAOYSA-N 354.417 3.236 0 1 FGAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CSCC3 218325112 KYOYTGGOMCXSQC-MRXNPFEDSA-N 367.474 3.458 0 1 FGAF COc1cc(C(=O)c2csc(-c3ccncc3)n2)cc(OC)c1OC 40392693 BIAAGVDPQHUSCN-UHFFFAOYSA-N 356.403 3.462 0 1 FGAF NC(=O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 49033881 ODASQDXOQDGVNN-UHFFFAOYSA-N 371.384 3.309 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]2C1 40466786 DZQHCYXCIBSBAB-CHWSQXEVSA-N 351.878 3.068 0 1 FGAF COC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1cccs1 84526847 GYMVPSPYGOGQDI-VZVUQDNOSA-N 374.462 3.382 0 1 FGAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1ccco1 199224426 OMIBWYURGRFADJ-IBGZPJMESA-N 371.400 3.060 0 3 FGAF CCc1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565716 PEHKEWNEXIDIDA-UHFFFAOYSA-N 360.816 3.417 0 1 FGAF COCCN(C)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 96171512 XRELUBWLPZIXSQ-OAQYLSRUSA-N 363.461 3.032 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1 586941904 YCZQDTPLXPIING-CLFYSBASSA-N 362.842 3.010 0 1 FGAF CC(C)[C@@H](c1nc2c(O)ncnc2[nH]1)N(C)C(=O)OCc1ccccc1 587198496 HDNNMDDVQJCEOX-AWEZNQCLSA-N 355.398 3.024 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(N)c(N)cc3[nH]2)cs1 587020339 NXIDOSFMAHHBBS-UHFFFAOYSA-N 360.443 3.122 0 1 FGAF N=c1cc[nH]cc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578105 MFPXZOKIUQWWLI-SIKLNZKXSA-N 374.396 3.467 0 1 FGAF NC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580986 UNGUKAKEZYJFFU-PXNSSMCTSA-N 361.353 3.194 0 1 FGAF COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587596452 VRGREYSFRAHWRJ-CQURBHOASA-N 368.385 3.312 0 1 FGAF N=c1[nH]c2nc(-c3ccccc3C(=O)c3ccc(F)cc3)nc-2c(Cl)[nH]1 587162892 KRYCKYMJHPMIJP-UHFFFAOYSA-N 367.771 3.408 0 1 FGAF FC(F)(F)c1nn(Cc2nc3nc(Cl)c[nH]c-3n2)c2c1CCCC2 587120110 RLHXAXGVMLYXHB-UHFFFAOYSA-N 356.739 3.100 0 1 FGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)OC)nc2[nH]1 587926850 LLPPKMZCCOJLRR-LBPRGKRZSA-N 355.394 3.304 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCCOC 587860168 NPBQXJMDFJUOME-UHFFFAOYSA-N 358.225 3.460 0 1 FGAF COC(=O)c1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1OC 587934123 BEMZYRBLNNGJDN-GTNSWQLSSA-N 370.405 3.204 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)C2(C)C)N1 587824677 CLCQSCNOSCKXBN-IJJSKAQYSA-N 356.235 3.448 0 1 FGAF CCOc1ccc(OCC)n1-c1cc(C(=O)O)ncc1Br 587939607 JUHVOWZOHPGNGU-UHFFFAOYSA-N 355.188 3.130 0 1 FGAF CCOc1c(Cl)cccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511870 VRVYTPNADPLRFZ-RDJZCZTQSA-N 361.825 3.441 0 1 FGAF CCOC(=O)[C@]1(c2ccc(SC)cc2)NCCc2c(C(=O)O)cccc21 963120422 HOHMHFPLVBFTCA-HXUWFJFHSA-N 371.458 3.059 0 1 FGAF COC(=O)[C@@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 137724527 KZZJIEHIKZJMSF-YUNKPMOVSA-N 350.455 3.302 0 1 FGAF O=C(Nc1cc2nc(-c3ccc(F)c(F)c3)cn2cn1)N1CC[C@H](F)C1 1772615419 AGWLAOLPCWZIGV-NSHDSACASA-N 361.327 3.250 0 1 FGAF CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 5996562 LEHPVQYYMXMDNK-OAHLLOKOSA-N 373.884 3.395 0 1 FGAF O=c1n2c(c(O)n1[C@H]1C[C@@H]1c1ccccc1)CN(CC1CCCCC1)CC2 169724972 GALAGQJETCEXBC-MOPGFXCFSA-N 367.493 3.480 0 1 FGAF CCc1ccc(N=c2[nH]c3nonc3[nH]c2=Nc2ccc(CC)cc2)cc1 1857607083 JGWBYEPIZNFVSA-UHFFFAOYSA-N 360.421 3.469 0 1 FGAF CC1CCN(C[C@@H](NC(=O)[C@@H]2CCc3cc(O)ccc3C2)C(C)C)CC1 1857745090 PJLARZZUVVIIHR-TZIWHRDSSA-N 358.526 3.370 0 1 FGAF N=c1[nH]c2cc(-c3cccs3)ccc2c2nc(CN3CCCC3=O)[nH]c12 1857766624 KRIXKRZTVXIJMD-UHFFFAOYSA-N 363.446 3.375 0 1 FGAF COc1ccc(C[C@H]2C(=Cc3ccc4c(c3)OCO4)CO[C@H]2O)cc1OC 2356417356 YXNHNPCOSSOQPL-HRAATJIYSA-N 370.401 3.023 0 1 FGAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@@H](OC(C)C)N1C 103217837 YAVYJNPMLOVTSN-MRXNPFEDSA-N 368.865 3.479 0 1 FGAF COc1ccc(CN(CCCN)Cc2ccc(OC)cc2OC)c(OC)c1 27704581 PPNSWHNGFUZYPV-UHFFFAOYSA-N 374.481 3.072 0 1 FGAF CSc1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2C)cc1C 29555155 QYHBCLAFOBTOAT-UHFFFAOYSA-N 369.446 3.360 0 1 FGAF CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1=O 117694070 HAAFWNXQOYAZML-LJQANCHMSA-N 355.394 3.416 0 1 FGAF CC(C)OC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F 28638214 YTKOXCUVRRISFJ-OAHLLOKOSA-N 359.394 3.137 0 1 FGAF Fc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1 34138403 ZVUOFBMWZWCKCS-UHFFFAOYSA-N 352.413 3.180 0 1 FGAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCN)[C@H]3c1cccc(O)c1 34524478 ZHXBYINMTVWXRO-QFIPXVFZSA-N 363.461 3.395 0 1 FGAF CCS(=O)(=O)Nc1cc2c(cc1C)[C@H](S(=O)(=O)CC)C1=C2CCC1 40834155 AOMKCRJMSDVDNG-QGZVFWFLSA-N 369.508 3.184 0 1 FGAF CCS(=O)(=O)Nc1cc2c(cc1C)[C@@H](S(=O)(=O)CC)C1=C2CCC1 40834153 AOMKCRJMSDVDNG-KRWDZBQOSA-N 369.508 3.184 0 1 FGAF CCOc1ccc2cc(-c3nn([C@H](C)C4CC4)c(N)c3C(N)=O)cnc2c1 221816155 XOYALPHJTHBLCG-LLVKDONJSA-N 365.437 3.149 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(COC1=O)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 143179209 QNKSEHIPPBVETG-MZTJMCQTSA-N 358.434 3.468 0 1 FGAF CN1C(=O)N(CC2CCC2)C[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565852 JLVXSPYZZXOVMU-OAHLLOKOSA-N 370.280 3.146 0 1 FGAF COc1cc2c(cc1OC)[C@]1(OC2=O)Oc2cc(C(C)C)ccc2C1=O 95586938 JPWFZHJOEKRNJJ-HXUWFJFHSA-N 354.358 3.426 0 1 FGAF CCC[C@H](NC(=O)OC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95589347 YSCYMSMZXRNWTI-SKDRFNHKSA-N 353.419 3.137 0 1 FGAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)[C@H]4CCCO4)n3)ccc21 95755256 IHGIDRIRPXEZGH-MRXNPFEDSA-N 371.462 3.227 0 3 FGAF Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc1 257266131 MBSNJWHJVBCWNV-QGZVFWFLSA-N 351.410 3.064 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586951121 ILDLHXLCSCPKEB-UHFFFAOYSA-N 365.484 3.059 0 1 FGAF COC(=O)[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349555 ITUALFFPAHEIRE-DHFGEULSSA-N 358.365 3.458 0 1 FGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncccc2[nH]1 586999448 AGYUQSCMLGHMNY-UHFFFAOYSA-N 358.151 3.199 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2ccc(O)cc2[nH]1)C(F)(F)F 587091517 FBSVPPPLMPTPQX-INIZCTEOSA-N 351.328 3.432 0 1 FGAF CC(C)(C)OC(=O)N[C@H](c1nc2c(O)nc(S)nc2[nH]1)C1CCCC1 587225488 KZILFQNAZFANMX-VIFPVBQESA-N 365.459 3.103 0 1 FGAF CCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596348 NSMPTUDIQILCCQ-YLJYHZDGSA-N 356.374 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(OC)nc1)[C@@H](C2)C3=O 587429847 DJSZWQLOGFFDNW-YCRPNKLZSA-N 362.385 3.378 0 1 FGAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587960730 APHGHYUUIOIQIJ-YUMQZZPRSA-N 351.200 3.181 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ncccn12 587588673 UKOTZRXPNAXBNL-APWZRJJASA-N 359.341 3.138 0 1 FGAF O=C(CN1CCCCCC1)NCCNc1ccnc2cc(Cl)ccc12 1772570211 DETAQRJNNMCGCW-UHFFFAOYSA-N 360.889 3.292 0 1 FGAF CC(C)NC(=O)[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681763 MIXZPWBCEXVAQM-DIRCKHNBSA-N 357.494 3.360 0 1 FGAF COc1cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)ccc1O 13760659 JAFQEKAQGSQGTM-UHFFFAOYSA-N 358.781 3.035 0 1 FGAF Cc1nc([C@@H](NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 150247804 LIVIAQCOPGNLQD-KRWDZBQOSA-N 368.437 3.320 0 1 FGAF Cc1cccc(NC(=O)c2ccc(N3CCc4nc(N)ncc4C3)cc2)c1 169710051 NUJFJWDTKNZHCI-UHFFFAOYSA-N 359.433 3.182 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C(=O)[C@@]4(C)OC(=O)C[C@@]342)C1(C)C 1857609543 IIERRZAEKZBIPV-KQICIXRFSA-N 362.466 3.435 0 1 FGAF Nc1nc(-c2cccc(Cl)c2)nc2sc(CN3CCOCC3)cc12 118595878 JBHMYMIUMBHKCC-UHFFFAOYSA-N 360.870 3.426 0 1 FGAF CC[C@H](C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 27557885 RATDZOGGTIZXPX-WMZOPIPTSA-N 361.486 3.168 0 1 FGAF CC(C)COC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1F 28637859 KELFSGJXSPYNIW-INIZCTEOSA-N 373.421 3.385 0 1 FGAF CC(=O)Oc1ccccc1C(=O)Nc1nc(C)c(Br)s1 64499327 GQPSMLYJOHUGMB-UHFFFAOYSA-N 355.213 3.392 0 1 FGAF CCCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28525402 BEOATIXNXFYMJU-WOJBJXKFSA-N 350.462 3.488 0 1 FGAF COC(=O)[C@@H]1C[C@H]2C=C(c3ccsc3)[C@H]1N(Cc1ccccc1)C2=O 2356638608 KXHRTGDAVADPBE-KBAYOESNSA-N 353.443 3.352 0 1 FGAF CCCCO[C@H]1c2c(cc(OC)c(C(C)=O)c2OC)OC(C)(C)[C@H]1O 13305697 JMGXWHJPYZENAF-ROUUACIJSA-N 352.427 3.296 0 1 FGAF biogenic CCN1CC[C@@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)C1 31840908 KMCQMCWQIHWGTK-IFMALSPDSA-N 369.461 3.116 0 1 FGAF COc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1Br 40430617 UXZIOQCGIFBABV-UHFFFAOYSA-N 353.220 3.328 0 1 FGAF COc1cc(-c2oc3cc(F)cc(F)c3c(=O)c2O)cc(OC)c1OC 84758580 YVCRZXONVVOHBI-UHFFFAOYSA-N 364.300 3.470 0 1 FGAF O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2cccc(F)c2c1=O 45337411 VYOPTTPVGNYJFL-UHFFFAOYSA-N 363.348 3.073 0 1 FGAF CCn1c([C@@H](C)NS(=O)(=O)C2CC2)nc2ccc(C(F)(F)F)cc21 144609611 MMQJRQKIIOSHQH-SECBINFHSA-N 361.389 3.218 0 1 FGAF C[C@@H]1C(=O)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@@H](C4)[C@H]3[C@H]1C 148272447 HWXCULOUOMXWMG-QWVRMHMPSA-N 367.489 3.293 0 1 FGAF Clc1ccc(-n2ccc(OCCCN3CCOCC3)n2)cc1Cl 95555507 YACRZYIQUBCSTQ-UHFFFAOYSA-N 356.253 3.280 0 1 FGAF Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)c1Cl 91915197 GIZLPLBEOWVOED-QWHCGFSZSA-N 362.788 3.123 0 1 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2OC(C)=O 238772925 RIAASXVFZZPXSS-NYGSYELISA-N 354.450 3.185 0 1 FGAF O=C(Nc1cccnc1)C(Br)(C(F)(F)F)C(F)(F)F 68573991 MSQXNTJCSPKKOB-UHFFFAOYSA-N 351.044 3.278 0 1 FGAF biogenic COc1cc(CN(C)[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc(OC)c1OC 299845771 ZFZXJOHWFSRUAO-RUXVUGBRSA-N 355.478 3.291 0 1 FGAF COc1cccc([C@@]2(OCC(F)(F)F)SC=C(C)n3c2noc3=O)c1 653905307 ZPIYDWZFLJYSJT-OAHLLOKOSA-N 374.340 3.190 0 1 FGAF COc1cc2ncnc(-n3nc(-c4ccc(C)cc4)cc3N)c2cc1OC 653706313 HOWAWXNZKZCZFE-UHFFFAOYSA-N 361.405 3.390 0 1 FGAF CCN(Cc1cc(=O)n2c([C@@H](C)O)c(C)sc2n1)c1ccc(F)cc1 653851001 RCIWECPOSMIWGD-LLVKDONJSA-N 361.442 3.283 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(c1)OCO3)O2 587410171 VRLPPOSRJHMDIB-MPBGBICISA-N 355.390 3.497 0 1 FGAF Cc1ccc(-n2ccnc2SCc2nc3cc[nH]c(=N)c3[nH]2)c(C)c1 586967172 YPTLRDUVGIAWIN-UHFFFAOYSA-N 350.451 3.465 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587448239 BEPJOURXLQXLMI-KAIZKOENSA-N 356.418 3.482 0 1 FGAF O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 586877856 SIIROOHBYJKQTF-UHFFFAOYSA-N 361.401 3.323 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]nc2ncccc12 587596757 RSTXUBVBHVISQT-DNVCBOLYSA-N 359.341 3.366 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(F)c3[nH]2)CCC(O)CC1 587237844 ZQUKRUDOUXLPOA-UHFFFAOYSA-N 367.396 3.496 0 1 FGAF Fc1ccc(-n2nnc(-c3nc4c(Cl)ncnc4[nH]3)c2C2CC2)cc1 587168350 IKWISTZFSCUAAZ-UHFFFAOYSA-N 355.764 3.271 0 1 FGAF COCC(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587563694 WRWSHSCYDLGCBD-UHFFFAOYSA-N 351.122 3.102 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586880690 BCEOATYLOSIAPG-UHFFFAOYSA-N 363.417 3.193 0 1 FGAF O=C1C[C@H](CN2C(=O)COc3ccccc32)Oc2c1ccc1c2CCCC1 587518363 GQOMMNPSUBEICQ-OAHLLOKOSA-N 363.413 3.325 0 1 FGAF Cc1cc(F)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587203467 QMNCHDKOMOWHSK-OAHLLOKOSA-N 371.368 3.453 0 1 FGAF Fc1cc2c(c(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c1)OCOC2 587171583 PACGBJJGUILLJT-UHFFFAOYSA-N 356.353 3.321 0 1 FGAF O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 586884466 NMNIYHKBGIAJKF-SECBINFHSA-N 360.357 3.473 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)cc(F)c3[nH]2)CC1 586952465 GIYORSDFHSQPEH-UHFFFAOYSA-N 359.854 3.354 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc3ccc(F)c(F)c3n2)N1 962896280 BLJZUJVIBASXJT-YJBOKZPZSA-N 358.319 3.340 0 1 FGAF CN(C)c1ncc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)n1C 961615542 PFGGBRMBUIDHBH-OAHLLOKOSA-N 361.287 3.016 0 1 FGAF Cn1cncc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957456 NLQOBXUCXKOYAO-INIZCTEOSA-N 351.372 3.180 0 1 FGAF COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(C)cc1 13864750 NYUGRZAAEIFCKO-UHFFFAOYSA-N 372.490 3.299 0 1 FGAF O=C(O)Cn1c(=O)c(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc21 169342612 JDQHALPJZCIXBG-XVNBXDOJSA-N 358.756 3.444 0 1 FGAF Cc1cccc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4ccncc4)(CC2)C3)c1 169710857 ROVACBZWABKJSI-YADHBBJMSA-N 363.461 3.395 0 1 FGAF CCCn1c2nc(C34C[C@@H]5CC3C[C@H](C5)C4)nc-2c2n(c1=O)C[C@@H](CC)N2 169712117 KSNFSPWAGPTPTM-CGIAKECWSA-N 367.497 3.236 0 1 FGAF C[C@H]1[C@@H](OC(=O)NCc2ccco2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711761 GTLUBPRHEODQDA-HSSOGYSNSA-N 360.454 3.466 0 3 FGAF Cc1ccc(-n2cc(Cn3cc(CO)nn3)c(-c3ccccc3)n2)cc1C 1857641763 CFXFBLUWCKRNSH-UHFFFAOYSA-N 359.433 3.288 0 1 FGAF COc1cc(N=c2[nH]c3c(s2)[C@H](OC)CCC3)cc(OC)c1OC 1857769924 APTVFMSEOLFRRE-GFCCVEGCSA-N 350.440 3.358 0 1 FGAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1ccccc1F 771734 DSEDIJITTBBGPV-OAQYLSRUSA-N 370.424 3.324 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@@H]3OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356383081 ZHTPTXDAVDVETG-BOOQFDHHSA-N 360.450 3.234 0 1 FGAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCSCC4)cc3n21 27526134 XYTMNDVPURKIKW-QMMMGPOBSA-N 366.439 3.016 0 1 FGAF COc1cnc2c(c1)[C@@H](SCCN1CCOCC1)c1ccccc1O2 25970401 KWPUQJQDZLEXBK-SFHVURJKSA-N 358.463 3.351 0 1 FGAF O=C1Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1 22941357 SILRNATUEGXXED-UHFFFAOYSA-N 369.896 3.047 0 1 FGAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccnc2)O3)cc1 61904476 XCGWKHKTDMQTQI-LJQANCHMSA-N 374.400 3.044 0 3 FGAF COc1ccccc1[C@H]1COC[C@@]2(C1)OCCN[C@H]2c1ccc(F)cc1 26500970 QWWRETCIYVIZSF-TYCQWZJGSA-N 357.425 3.438 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 14613192 CWGQQELECQFCDS-CWVNLOTRSA-N 368.385 3.099 0 1 FGAF biogenic COc1cc(C(=O)N[C@H]2COc3ccc(F)cc32)ccc1-n1cnc(C)c1 84619068 ZCPRNLYQXDMLFX-INIZCTEOSA-N 367.380 3.192 0 1 FGAF COc1ccc2cc3[n+](c(C)c2c1OC)CCc1cc2c(cc1-3)OCO2 40866619 DNDKVHOMIJKCEX-UHFFFAOYSA-N 350.394 3.405 0 1 FGAF N[C@H](Cc1cccc(Cl)c1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 95586022 RUADOXJFDNTWNZ-MRXNPFEDSA-N 365.824 3.209 0 1 FGAF COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)C[C@H](C(C)(C)O)O2 95099526 SJDHFQFQYUEPRC-VZSQWMKGSA-N 356.418 3.437 0 1 FGAF biogenic,in-vitro O=C(N1CCC2(CCCC2)CC1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 96283269 WGSYAZICWYDFSE-HDICACEKSA-N 354.498 3.226 0 1 FGAF COc1cc2nc3occc3c(OC)c2cc1OC[C@@H](O)C(C)(C)OC 34505490 WVKRJHMXOXJMFW-MRXNPFEDSA-N 361.394 3.163 0 1 FGAF biogenic O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 587168500 YIIDPTMNCBWLGP-LLVKDONJSA-N 360.780 3.466 0 1 FGAF CC[C@@]1(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC(=O)c2ccccc2C1 587962308 XDMHQBXLFPCYSM-SFHVURJKSA-N 355.829 3.138 0 1 FGAF COC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587106196 GWOZFISKZNFJNH-NSPYISDASA-N 371.392 3.464 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccnn1 587655952 DUAQHCJMMLQMDO-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 587168501 YIIDPTMNCBWLGP-NSHDSACASA-N 360.780 3.466 0 1 FGAF CCN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348367 WKBFLUMYESTFNS-FPOVZHCZSA-N 369.392 3.271 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)cc1)O2 587397879 CEBGFLDTNYMBLF-OAQYLSRUSA-N 352.434 3.294 0 1 FGAF C[C@@H]1CN(C[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C[C@@H](C)O1 587876194 PLYXUUGTPKZQPE-JHJVBQTASA-N 359.401 3.180 0 1 FGAF Cc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1C 587201723 BRWKZFGZKDMHTA-INIZCTEOSA-N 367.405 3.102 0 1 FGAF COc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cn1 587220410 BHOJSCYKPPZHDA-LJQANCHMSA-N 358.401 3.486 0 1 FGAF COCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440660 HMRYWGBKIZNGNI-UTKZUKDTSA-N 354.402 3.383 0 1 FGAF CCOC(=O)C(=O)C[C@]1(c2ccccc2C)NCCc2ccc(F)c(C)c21 962094850 TWMHVLHHHXZKGP-JOCHJYFZSA-N 369.436 3.354 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(O)cc3Br)c3cccc1c32 963017496 BSRGIVBJOVOXQG-YPMLDQLKSA-N 373.250 3.297 0 1 FGAF O=C1CCc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 1772640911 HYAIMXUXPGDVLP-UHFFFAOYSA-N 354.837 3.431 0 1 FGAF CC(C)(O)c1cc2cc3c(cc2o1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31 5357595 FLURXOFTUKXKQN-AZUAARDMSA-N 354.358 3.080 0 1 FGAF endogenous,in-man CN1CC[C@@]2([C@@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 13385666 GSQUXSFTXJRLQJ-SSGKUCQKSA-N 360.505 3.061 0 1 FGAF endogenous,in-man CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 169697001 NWXLNEMDCWELOX-HDICACEKSA-N 370.497 3.035 0 1 FGAF O=C(c1c(F)cccc1F)N1CCn2nc(COc3ccccc3)cc2C1 168075245 AWQLLPVALMFTAN-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3c(c2)C[C@@H](N)C3)n1 203008563 HIDFZYJSOGLSBB-HNNXBMFYSA-N 361.453 3.299 0 1 FGAF CNC(=O)c1cnc(Nc2ccccc2)cc1Nc1ccccc1C(N)=O 1857607318 VDIHJVWGVICRIL-UHFFFAOYSA-N 361.405 3.027 0 1 FGAF COc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857769388 XTNNVIOETPFONE-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF O=C(Cc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356319779 FPCOELUMWCHCBN-QGZVFWFLSA-N 354.381 3.126 0 1 FGAF CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 6358639 HGADNQLEUZSUEJ-OAHLLOKOSA-N 355.442 3.169 0 1 FGAF in-vivo Cc1nccc2c1[nH]c1cc([C@@]34CC[C@](C(=O)O)(OC3=O)C4(C)C)ccc12 101551156 GOEJYGFKWDCKIU-LEWJYISDSA-N 364.401 3.463 0 1 FGAF CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@@H]1c1ccccc1OCCC 103633931 AEJPPHOEENFKNC-CFBLSMTOSA-N 357.414 3.354 0 1 FGAF Cn1cc(CN2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)cn1 55036544 GVOHYDWVDMUMJE-OAQYLSRUSA-N 355.482 3.428 0 1 FGAF CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)C[C@@H]1C 27105758 BVJYTMBJKHKHNE-QKKBWIMNSA-N 369.896 3.476 0 1 FGAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C(=O)OC)CC(=O)CCC1=O 2356616219 TVBNXKCHPMCKON-FQEVSTJZSA-N 364.438 3.094 0 1 FGAF O=C(c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26013273 WXRJLXCQSPSTBY-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF Cn1cc([C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)nn1 45365555 KJXJHGUHVNUTEK-FJWRRNOESA-N 353.466 3.265 0 1 FGAF Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccc3c(c2)OCO3)CC1 40762608 FWIDGHODYJHCJV-UHFFFAOYSA-N 363.421 3.288 0 1 FGAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCC[C@@H]2CO)cc1OC 146419069 MDBIKEYWTAYHSB-GUDVDZBRSA-N 363.498 3.031 0 1 FGAF Cc1c(OCCN2CCOCC2)nn(-c2ccc3ccccc3c2)c1C 95557384 KAKHLTWJKWFVNT-UHFFFAOYSA-N 351.450 3.353 0 1 FGAF O=C1CC[C@@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1 143335477 TVQVOQYCUOVNMU-VOJFVSQTSA-N 363.335 3.123 0 1 FGAF O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OC[C@H]2C1CC1 95553960 YFSXRZIBARSKDN-KRWDZBQOSA-N 352.434 3.408 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(Cc3cccnc3)CC1)O2 587396475 SRPCHYNFHJSYAZ-FQEVSTJZSA-N 351.450 3.218 0 1 FGAF COC(=O)c1ccoc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615772 HEZAHEPVGUIYCS-KXBFYZLASA-N 366.325 3.475 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C1CC1)CC2 587581641 IPGKSPFWBOMXCX-GOSISDBHSA-N 351.402 3.351 0 1 FGAF Cc1nonc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345421 JAGLTKCIFNIPJV-APWZRJJASA-N 354.337 3.497 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nccn1C 587865621 DODXUOTVEFPKJF-UHFFFAOYSA-N 364.327 3.390 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587432294 KIOKAKXZPQTICV-TUXXCZFBSA-N 359.422 3.259 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587784241 GJRWMWOHRQHWMV-RYUDHWBXSA-N 354.337 3.344 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CSC1=NNC2=NCCCN21 963237716 ZCOMFPGIRKEVPG-MGPUTAFESA-N 371.554 3.228 0 1 FGAF Cc1cc2c(cc1O)[C@@]1(C[C@H](C)Sc3sccc31)N[C@H](C(=O)O)C2 963465301 BKAVTZSOUCLMFE-KCJDHBRGSA-N 361.488 3.489 0 1 FGAF C[C@@H]1[C@H](C)N(Cc2ccccc2)C[C@@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@@H]1C 963289924 RVGYCISFLWEWFG-JSNXDTLUSA-N 361.489 3.164 0 1 FGAF COc1cccc2cc3c(nc12)[C@@]1(CCCc2sc(N)nc21)NCC3 963050959 DFSZSCUVAVPDLR-LJQANCHMSA-N 352.463 3.008 0 1 FGAF CC(C)N1CCC(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 1857569371 SSOCGQBBOOZHBW-UHFFFAOYSA-N 373.541 3.154 0 1 FGAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)CS(=O)(=O)O2 1857608897 AEXYREZPBIKLBC-MRXNPFEDSA-N 358.394 3.174 0 1 FGAF CO[C@H]1C[C@H]2C(=C[C@@H]1c1ccc[nH]1)[C@H]1CN2Cc2cc3c(cc21)OCO3 1857648017 XRHNBEIGPAFZEM-NEPXVJNWSA-N 350.418 3.154 0 1 FGAF O=C1COC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1 1201596312 DHIDSSXNRVGMDP-UHFFFAOYSA-N 350.462 3.127 0 1 FGAF Cc1ccccc1Nc1nc(N)nc(COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 100607304 DQSLDMQPJAEKCK-KFWWJZLASA-N 367.453 3.375 0 1 FGAF Cc1c(NC(=O)COc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12 25971281 AINSZNFNMYXHPS-UHFFFAOYSA-N 373.416 3.273 0 1 FGAF COC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1Cl 103185369 ZVSOEVFKYNKINZ-UHFFFAOYSA-N 354.193 3.439 0 1 FGAF CN(C(=O)c1ccno1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403221 IDGAWOHGRIKCMX-ISTRZQFTSA-N 363.408 3.154 0 1 FGAF Cc1cscc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 61930964 SXNSCUZVMJBSBH-UHFFFAOYSA-N 362.524 3.396 0 3 FGAF O=C(O)c1ccc(COc2cc(O)cc3oc(=O)c4c(c23)CCC4)cc1 64560393 XLBXITIJRKLVMO-UHFFFAOYSA-N 352.342 3.265 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](Cc2ccc(O)cc2)O3)S1 26957068 FWRGMNJCWPVFBZ-AEFFLSMTSA-N 369.442 3.223 0 1 FGAF CC=C(CO)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356515899 FRUFGLJBMBUARK-QFBILLFUSA-N 352.434 3.083 0 1 FGAF CC=C1CN2C[C@H]3c4c([nH]c5ccc(OC)cc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356696561 FXRTWGGDNHIYAH-PBYMTVQHSA-N 352.434 3.386 0 1 FGAF COc1ccc(-n2cnnc2-c2cc(OC)c(OC)c(OC)c2)cc1F 35259116 KPALBYUSMCLKDD-UHFFFAOYSA-N 359.357 3.108 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C\Br)cc1)N2 36093115 PETAHELMBJGYJY-KFZXCZATSA-N 350.256 3.449 0 1 FGAF COc1cc(-c2ccc(F)nc2F)nn(Cc2ccc(Cl)cc2)c1=O 1911571325 IUGFPYAWNBJHOM-UHFFFAOYSA-N 363.751 3.294 0 1 FGAF CC(C)NCC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823681 UAEKMXKJCGTAPN-FQEVSTJZSA-N 365.477 3.120 0 1 FGAF CNC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 1911586357 XUFQGSCSSYRXLU-UHFFFAOYSA-N 374.868 3.216 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 49792744 HAKUBDUVAGUCGC-UHFFFAOYSA-N 350.426 3.232 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(C)c1C)C2 225945504 UVTFUAIMFMKTMF-CYBMUJFWSA-N 361.449 3.379 0 1 FGAF O=C(CCc1nc2ccc(F)cc2[nH]1)N[C@H](c1cccs1)C1CC(O)C1 230485417 FLDXUDYZNCTINQ-MHTRZOGVSA-N 373.453 3.325 0 1 FGAF O=C(Cc1ccccc1)Nc1[nH]nc2sc(C(=O)NC3CCCC3)cc12 230562845 XTUNAMMVUMOWCF-UHFFFAOYSA-N 368.462 3.478 0 1 FGAF CC(=O)Nc1nc(C)c(-c2cnc(Cc3cccc(C(=O)O)c3)o2)s1 95558626 SGOYYGCKJKJAJU-UHFFFAOYSA-N 357.391 3.354 0 1 FGAF C[C@]1(O)C[C@@](c2ccc(OC(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 653823125 COMFVLOAIUCJPR-ZACQAIPSSA-N 353.340 3.496 0 1 FGAF CC(=O)N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(C)cc1 587205851 GLZJVVSMPJFPRU-CQSZACIVSA-N 373.254 3.449 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1CCF 587552741 BYJXKVNGGYXQLF-QFBILLFUSA-N 354.337 3.261 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NC1CCCCCC1)[C@@H](C2)C3=O 587431879 IKJVXSNDEWDJDH-KKSFZXQISA-N 357.450 3.430 0 1 FGAF Nc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1N 587167267 KDWNIOUOBVYUNX-MRXNPFEDSA-N 354.389 3.235 0 1 FGAF COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587596459 VRGREYSFRAHWRJ-UYTHQXMGSA-N 368.385 3.312 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(CO)c3)nc2c1 586895261 VLOBSUWMLUGORF-UHFFFAOYSA-N 361.195 3.271 0 1 FGAF NC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512563 YPKPDFVZLDLTBQ-IBGZPJMESA-N 351.402 3.136 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)O 587820205 AMKFFVYRWKYSMJ-KXSVJGSUSA-N 366.230 3.224 0 1 FGAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(F)c1 587145017 QOAVPOBFIIRVCZ-UHFFFAOYSA-N 363.352 3.197 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587229484 BBPMNIUEBRGVDV-KBPBESRZSA-N 352.438 3.148 0 1 FGAF COc1cc2c3c(c1)OC1(CC(OC(=O)c4ccccc4)C1)[C@@H](C2)C3=O 587440653 CCYVBORZHXJIJE-TZQQIIETSA-N 350.370 3.201 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)nc(Cl)c2[nH]1 587225104 NKCNAIZVXHJXAQ-SECBINFHSA-N 365.220 3.348 0 1 FGAF CC[C@@H]1OC=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587830031 DIAWEZYROLGJII-OELKAKTESA-N 354.219 3.209 0 1 FGAF CC(=O)Nc1ccc([C@]2(CCC(=O)O)NCCc3ccc(F)c(C)c32)cc1 962094651 UGXRPRVLXSOGJH-NRFANRHFSA-N 370.424 3.347 0 1 FGAF COc1ccc(F)cc1[C@]1(C(=O)O)c2ccc(F)cc2C[C@@H]2CCCN21 963096293 DDTWTNMISIFAST-YWZLYKJASA-N 359.372 3.322 0 1 FGAF CCCCC[C@@H](O)/C=C\[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 11592551 PXGPLTODNUVGFL-HBPAUCIHSA-N 354.487 3.043 0 1 FGAF O=C(NC[C@H]1CCCN(C2CSCCSC2)C1)c1cccs1 12431755 KGCAOECGXYSNAI-CYBMUJFWSA-N 356.582 3.039 0 1 FGAF COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H](O)C2)c(F)c1 12713519 VTICWFGYWQNUKJ-QGZVFWFLSA-N 367.424 3.254 0 1 FGAF CCCCN1C(=O)c2cccc3c(CNCCCNCCCN)ccc1c23 1857536261 CHVUCRFSGCTOML-UHFFFAOYSA-N 368.525 3.018 0 1 FGAF Cc1ccc(CNC(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857639315 HKQGQAOEAPANAK-OAHLLOKOSA-N 363.461 3.259 0 1 FGAF CCCN(CCC)C(=O)Cn1nc(CC)n2c(cc3sc(C)cc32)c1=O 6749425 OHVQQSULGDLRJZ-UHFFFAOYSA-N 374.510 3.230 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@@H]1[C@H]2C[C@@]2(C3=Nc3cc(OC)ccc32)[C@@H]1OC(C)=O 2356304712 CJRRQMKNRICNIF-HNMNHFHGSA-N 364.445 3.003 0 1 FGAF O=c1[nH]c2ccc(Br)cc2n1-c1cc(Cl)c(O)cc1O 63539329 WHZLLHZNOLGRGE-UHFFFAOYSA-N 355.575 3.146 0 1 FGAF C[C@@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 20387417 RMDHLNCVMLJHSG-AVRDEDQJSA-N 370.493 3.072 0 1 FGAF CCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 64527660 NZFUCYDGINQVLA-LJQANCHMSA-N 359.376 3.090 0 1 FGAF CCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948152 LOQLIYCILQUEKV-QVLKYBFXSA-N 367.493 3.284 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2O[C@@H](CCCCC(=O)O)C[C@H]21 39343917 RJADQDXZYFCVHV-MHZGRXROSA-N 354.487 3.283 0 1 FGAF COc1cc2c(c(OC)c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C(=O)C2 96929799 BVEWFDTVVISXIV-UHFFFAOYSA-N 365.307 3.452 0 1 FGAF Nc1ncnc2c1CN(c1ccc([C@H]3CC[C@H](CCO)CC3)cc1)CCO2 261131164 LECMHICNSGWRQV-WKILWMFISA-N 368.481 3.114 0 1 FGAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)NC1CCCCC1)C(C)(C)C 299868963 SVRCLSWDDDBWEP-LJQANCHMSA-N 358.482 3.448 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCSCC4)o1)[C@@H](C2)C3=O 587451863 LCBZFHVLMDDUMU-YWZLYKJASA-N 371.458 3.326 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)ncnc2[nH]1 586984457 QJORAERMNOKDTF-VIFPVBQESA-N 352.623 3.011 0 1 FGAF Brc1cc2nc(CC3OCCO3)[nH]c2cc1Br 586909292 WTUIVSJDIFEKAN-UHFFFAOYSA-N 362.021 3.003 0 1 FGAF COc1cc(Cl)ccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587066070 GCVRMFGNCYKBFV-UHFFFAOYSA-N 365.842 3.142 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CO)c2)N1 587829779 YAILZIAAJZWQMV-XYZCENFISA-N 366.230 3.410 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3cncc32)N1 587770299 ILGQWXNHIGNNJB-QFYYESIMSA-N 350.235 3.356 0 1 FGAF COc1ccc(CCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC 587924749 DWTPVHZLRAOJAA-UHFFFAOYSA-N 352.394 3.337 0 1 FGAF Cn1cnc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587580136 XBSUNXOGPKJJOE-FXAWDEMLSA-N 373.368 3.377 0 1 FGAF COc1ccc2c(c1)NC(=O)CN2c1nc(NC2CC2)nc2ccccc12 1772634497 FRPPIQVXSWLPGY-UHFFFAOYSA-N 361.405 3.303 0 1 FGAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2 169373290 XSCLLXQHZKNMDH-KNCOVGOOSA-N 369.246 3.494 0 1 FGAF COc1ccccc1C[C@H]1C(=O)OC[C@@H]1Cc1ccc(OC)c(OC)c1 203676871 JFKPJJUJGFTDSA-DLBZAZTESA-N 356.418 3.287 0 1 FGAF CC(C)[C@H](CO)NCc1nc(-c2cccc(-n3cccn3)c2)ccc1F 204416969 VPVXLPPWBBHSND-FQEVSTJZSA-N 354.429 3.180 0 1 FGAF COC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(C)cc(C)c1)OC 3032186 BFJIVQYNHBUDTQ-UHFFFAOYSA-N 367.449 3.299 0 3 FGAF Cn1cc(-c2nc3cncnc3n(-c3ccccc3)c2=O)c2ccccc21 4238668 JOCJGCWDGDIUSL-UHFFFAOYSA-N 353.385 3.334 0 1 FGAF CC(=O)c1ccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1 6782184 SAQYVYRLQGMEDL-UHFFFAOYSA-N 359.385 3.096 0 1 FGAF COc1ccc(-n2c(=O)[nH]c3c(-c4ccccc4C)ncnc32)c(OC)c1 28642830 GXRPUEASZPEWHC-UHFFFAOYSA-N 362.389 3.101 0 1 FGAF CCOC(=O)n1c2cc(C)ccc2c2oc(C(=O)N3CCOCC3)cc21 26379893 WUJLPEDUEMKTNP-UHFFFAOYSA-N 356.378 3.173 0 1 FGAF S=C1NCCN1CC1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 61936164 CRPVJTXZOZNHFP-UHFFFAOYSA-N 361.599 3.495 0 3 FGAF O=c1[nH]c(C[C@H](c2ccccc2)N2CCOCC2)nc2ccc(Cl)cc12 29414431 DLZGUXAJVHFVFN-GOSISDBHSA-N 369.852 3.193 0 1 FGAF N=C(N)c1ccc(OCc2cccc(COc3ccc(C(=N)N)cc3)c2)cc1 28972348 OHCPXJHKRQZPCL-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72107927 MXFWDQZDPKSJQR-CQSZACIVSA-N 374.462 3.497 0 1 FGAF CCc1nc(C)cn1Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 72181195 NSPMBUSCCTZDJN-UHFFFAOYSA-N 357.410 3.483 0 1 FGAF CNCCN1CCC(c2ccc3[nH]c(-c4cccnc4OC)nc3c2)CC1 36475216 OTBWCISHRYYXTG-UHFFFAOYSA-N 365.481 3.032 0 1 FGAF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(OC)c2)c1 84714410 JUMYKADZKCEBOD-UHFFFAOYSA-N 356.447 3.120 0 1 FGAF O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ccccn2)C1)c1cccc(Cl)c1 95589664 WMKYZRPEGSISJA-HZPDHXFCSA-N 357.841 3.206 0 1 FGAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccccc2F)C(=O)O)cc1OC 95592797 FEZMNPXILMKQSD-LNENJAERSA-N 374.364 3.095 0 1 FGAF Cn1ccnc1SCc1cc(=O)n2c(-c3ccccc3)csc2n1 621429899 GAEDNTXQFODAGR-UHFFFAOYSA-N 354.460 3.449 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017684 OQPGFHVLGZETOW-UHFFFAOYSA-N 369.431 3.073 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](S(C)(=O)=O)C1)CC2=O 587488217 PJTCGIADGMHVFP-SGTLLEGYSA-N 352.452 3.036 0 1 FGAF CCOC(=O)[C@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444229 YNDVRJPADCFBEH-VGOFRKELSA-N 366.413 3.377 0 1 FGAF C[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc(Cl)cn1 587078709 ADXKNWANUWUTKR-BYPYZUCNSA-N 351.119 3.436 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(C(F)(F)F)ccc21 587382914 PQVUNMQUHDQDFE-KRWDZBQOSA-N 362.307 3.409 0 1 FGAF CCOC(=O)C(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864228 HULQCUTUNGQNIC-UHFFFAOYSA-N 356.300 3.171 0 1 FGAF CCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593673 MPHDWKZAXSVQDW-PXNSSMCTSA-N 356.374 3.456 0 1 FGAF CC(=O)SCc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587945414 DUXQLUWNLCDFDY-UHFFFAOYSA-N 373.409 3.188 0 1 FGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccccc2[nH]1 586945734 LPPKOEPFNNEFCK-UHFFFAOYSA-N 359.432 3.363 0 1 FGAF O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605076 XDRKJMDPJZQZIP-YHPQYGKZSA-N 350.370 3.482 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)C)nc2)N1 587754010 ISBZGRWKDXJETD-BJOHPYRUSA-N 365.250 3.068 0 1 FGAF COc1cccc2c1OC[C@H](N)[C@]21NCCc2cccc(-c3ccccc3)c21 962666657 KXURGQYBXKMLTM-XUZZJYLKSA-N 372.468 3.471 0 1 FGAF N[C@@H]1C[C@H]2COc3ccc(-c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C1 206223996 USPGYCNUDIUUHZ-CABCVRRESA-N 362.351 3.307 0 1 FGAF Cc1c2c(OC[C@@H]3CCCCO3)nn(C)c(=O)c2c(C)n1-c1ccccc1 5596678 XNMSDAOXPBMREX-KRWDZBQOSA-N 367.449 3.289 0 1 FGAF CSc1nsc2nc(=O)c(/C=C3\C(C)=Nc4ccc(C)cc43)c(N)n12 15962428 GIHBZAMJFMGKFQ-JXMROGBWSA-N 369.475 3.410 0 3 FGAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCc3nnn[nH]3)CC2)c1 19742437 STHDMMPKIKIDFU-UHFFFAOYSA-N 373.464 3.107 0 1 FGAF COC(=O)C1=C(C)N=C(C)[C@@H](C(C)=O)[C@H]1c1cccc(-n2ccnc2)c1 169714473 UJAHDTMHZHCWSM-PKOBYXMFSA-N 351.406 3.083 0 1 FGAF C[C@H]1[C@@H](NC(=O)NCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044745 YKUMXOWJXIDNCQ-PGVBMLAISA-N 369.509 3.446 0 3 FGAF Cc1cn([C@H]2C=CCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc12 1857564308 JHTBXYQIHWCGPI-HNNXBMFYSA-N 358.463 3.453 0 1 FGAF COc1ccc2c(-c3ccnc(Nc4cccnc4)n3)c(C3CC3)nn2n1 1857589709 GAWNSPUHSSQUTM-UHFFFAOYSA-N 359.393 3.211 0 1 FGAF CC(C)NC(=O)c1c(NC(=O)c2cc(F)ccc2F)nc2ccccn12 1857610343 SXHNIPCFFVPJJG-UHFFFAOYSA-N 358.348 3.003 0 1 FGAF CNc1cc2c(cc1S(=O)(=O)Nc1ccc(C)c(C)c1)CCC(=O)N2 64581748 RDJVVXIZIXTZEL-UHFFFAOYSA-N 359.451 3.031 0 1 FGAF COc1cc(C(=O)c2c(N)c3c(C)cccc3n2C)cc(OC)c1OC 29136275 UEIYDYDIZORSCZ-UHFFFAOYSA-N 354.406 3.326 0 1 FGAF CO[C@@H]1c2ccccc2O[C@H](c2ccc(OC(C)=O)cc2)[C@@H]1OC(C)=O 2356416266 NWSFMWPYMFJSED-AQNXPRMDSA-N 356.374 3.365 0 1 FGAF C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)c1cccc(Cl)c1 26377896 PBKVLEACLGKCJH-ABAIWWIYSA-N 368.886 3.068 0 1 FGAF CC(CO)=C1CC[C@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@H]1CCC(=O)O 2356770384 OCOLGWGUVNBXLA-FVINJOMDSA-N 362.422 3.474 0 1 FGAF COc1cc2c(cc1OC)[C@H]1[C@H](O)c3ccc4occc4c3O[C@H]1CO2 15150785 ZVEDKPGZOXEGTK-IPMKNSEASA-N 354.358 3.421 0 1 FGAF biogenic COC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 74374942 QCBYKWQFADFWDS-UHFFFAOYSA-N 351.402 3.413 0 3 FGAF CN1O[C@](C)(CC(=O)Nc2cccc(O)c2)N=C1c1ccccc1Cl 74373594 LSGVKJCYLJPYFI-GOSISDBHSA-N 359.813 3.414 0 3 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 43028294 LMKMYJGZBLESNG-NOLJZWGESA-N 362.495 3.277 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@H](O)[C@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 14494416 GUGLXICOVCCFRU-FHWLQOOXSA-N 370.401 3.113 0 1 FGAF biogenic NS(=O)(=O)Oc1ccc2c(ccn2C(=O)C23CC4CC(CC(C4)C2)C3)c1 1911573617 XNZNQZHHNKOEMX-UHFFFAOYSA-N 374.462 3.080 0 1 FGAF NC(=O)c1ccc[n+](CCCCCCCCN2C=CC(=CN=O)C=C2)c1 137754809 DCZROGRLYCNJFT-UHFFFAOYSA-O 355.462 3.407 0 1 FGAF Cn1ccnc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224560776 CONXMVQDLDNFFY-UHFFFAOYSA-N 353.401 3.445 0 1 FGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1 224698114 PRUMAIOGTOABIW-UHFFFAOYSA-N 369.421 3.468 0 1 FGAF COCCN(C)C(=O)CO[C@@H](c1cccs1)c1cccnc1Cl 45302552 FPJPYJUCSGHFAF-OAHLLOKOSA-N 354.859 3.007 0 1 FGAF NC(=O)c1cc(F)cc2[nH]c(-c3ccc([C@H]4CCCCN4)cc3F)nc12 49067848 IKMSCTKNIPLUAO-OAHLLOKOSA-N 356.376 3.422 0 1 FGAF C=C(c1ccccc1OC[C@H](O)CNC(C)C)n1cnc2ccccc21 40632044 FLEMQGFHIVRJLM-QGZVFWFLSA-N 351.450 3.293 0 1 FGAF Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 95576944 FPMBUTWGTHHSLU-UHFFFAOYSA-N 359.393 3.192 0 1 FGAF c1ccc(COCc2nnc(S[C@H]3CCOC3)n2-c2cccnc2)cc1 618017256 JOEXTVRICIMSAL-KRWDZBQOSA-N 368.462 3.260 0 1 FGAF COc1ccc(C=O)c(-c2nc3ncc(Br)cc3[nH]2)c1OC 587787732 XNMDIHWLSXFIPE-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@H](Cc1c(Cl)ncnc1Cl)[C@@H](C2)C3=O 587420911 MYMNVAHZGLBXML-MWLCHTKSSA-N 351.189 3.151 0 1 FGAF O=C1COc2cc3[nH]c([C@@H]4C=C(c5ccc(Cl)cc5)NO4)nc3cc2N1 587076639 NEBLYACUQOZLNW-INIZCTEOSA-N 368.780 3.164 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(F)c2[nH]1 587194270 BNCAUBRNIAZLQD-UHFFFAOYSA-N 350.195 3.296 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(F)cc1 587568982 GTEFXAFNDPFZQG-NQIIRXRSSA-N 366.344 3.381 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ncccn12 587588677 UKOTZRXPNAXBNL-VQIMIIECSA-N 359.341 3.138 0 1 FGAF COC(=O)c1cc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c2cn1 587930230 RDKDYHPOSAQANB-PLNGDYQASA-N 353.378 3.018 0 1 FGAF CC(=O)N[C@@H](Cc1nc2ccc(C)nc2[nH]1)c1ccc(Br)cc1 586984269 DMWDCOTWOYGIIL-HNNXBMFYSA-N 373.254 3.449 0 1 FGAF COc1c(F)cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1F 587134609 RADTYQVZQHYNEE-UHFFFAOYSA-N 370.359 3.272 0 1 FGAF Cc1ccc2c(ccc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c32)n1 586963004 WEZCMKYDMJKJRW-VIFPVBQESA-N 352.423 3.351 0 1 FGAF COc1cccc(C2(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CCCC2)c1 587933463 PAFWXCUKGDYRAQ-UHFFFAOYSA-N 371.462 3.079 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CN3CCC2CC3)[C@@H]1c1ccc(F)cc1 587343366 BDDNEVIURXGBAZ-CTNGQTDRSA-N 353.393 3.355 0 1 FGAF O=C1COc2cc3[nH]c(-c4ncoc4CCC(F)(F)F)nc3cc2N1 587092519 QNMXUFRYXAMWIJ-UHFFFAOYSA-N 352.272 3.044 0 1 FGAF COC(=O)c1cc([C@@H]2NCCc3cc4cccc(OC)c4nc32)cs1 963051795 ZHWFCEPWYOZNDB-KRWDZBQOSA-N 354.431 3.327 0 1 FGAF COc1cc(C2=NN(C(C)=O)[C@H](c3cccc(F)c3)O2)cc(OC)c1OC 15861227 IYRFQJXITMUVHX-IBGZPJMESA-N 374.368 3.091 0 1 FGAF CCCCOc1cc(C(=O)N(C)CCN(CC)CC)nn1-c1ccccc1 169328754 CHLBWOWBLVHZBC-UHFFFAOYSA-N 372.513 3.465 0 1 FGAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2nc[nH]c2c1 1857744478 MMYBATTUOJHTMH-UHFFFAOYSA-N 353.813 3.356 0 1 FGAF COC(=O)c1[nH]cc(-c2ccc(Br)cc2)c1N1CCOCC1 600433 VIWMXLPFMKLOCQ-UHFFFAOYSA-N 365.227 3.067 0 1 FGAF investigational O=c1[nH]c2ccc(N3CCc4ccccc4C3)nc2nc1Cc1ccccc1 2500125 JDFSXFMLQKLVEE-UHFFFAOYSA-N 368.440 3.472 0 1 FGAF COc1cccc(-c2nnc3n2N=C(c2ccccc2OC)CS3)c1 9290205 DFGOHYXSXDNUQO-UHFFFAOYSA-N 352.419 3.320 0 1 FGAF CC[C@@H]1CN2CC[C@]3(CNc4ccccc43)[C@@H]2C[C@@H]1C(=COC)C(=O)OC 2356661014 PZTSJGMDSOZBEK-JRFJLEBRSA-N 370.493 3.174 0 1 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(COC)c12 210720400 IPDMYHPSRPNPNO-GFCCVEGCSA-N 368.441 3.419 0 1 FGAF COc1cccc(OC)c1OC(=O)[C@@H](CCSC)N1CCCCC1 36080031 QNJNXVVAVDQRTA-CQSZACIVSA-N 353.484 3.217 0 1 FGAF CNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 39235812 SIUDLAKKBRIKKR-BTJPGNQNSA-N 360.461 3.384 0 1 FGAF COc1cc2c(cc1O)C(=O)[C@H]1c3cc(OC)c(OC)c(OC)c3CC[C@@H]21 40862363 RATWHIYIFBMLOS-XTZNXHDOSA-N 370.401 3.437 0 1 FGAF CN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ccc3n2)CC1 40380521 BKGSNELMPDFQCW-UHFFFAOYSA-N 357.845 3.240 0 1 FGAF CCCN[P@](=O)(OCCOC)[C@H](C)NC(=O)OCc1ccccc1 40879891 BHXWCTKGYOCFLI-JBEBIEQOSA-N 358.375 3.115 0 1 FGAF O=C(NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1 653697129 SYCXBNVADKDOKX-UHFFFAOYSA-N 374.488 3.177 0 1 FGAF Nc1ccc(C(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587251367 FCMAMTGKDFEYSY-UHFFFAOYSA-N 369.734 3.374 0 1 FGAF CCCc1sc(=N)[nH]c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587013483 PCJDOEUSWKSZNL-UHFFFAOYSA-N 362.768 3.465 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)O)c3ccccc13)O2 587391959 UUBIYIJWWKHKMR-SFHVURJKSA-N 350.374 3.323 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899494 YVKLAURWJLGMEW-UHFFFAOYSA-N 365.414 3.250 0 1 FGAF CC1(C)O[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2O1 587606428 CJYSPNDFCJXLKZ-NVEXJGOOSA-N 368.385 3.407 0 1 FGAF Cc1nc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2cc1Br 587961095 ITMGNKFBPXLHHY-UHFFFAOYSA-N 360.211 3.247 0 1 FGAF Nc1cc(F)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1N 587136010 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CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@H](O)[C@H](C)C(=O)OC 2356349896 PZMGZXATJGSIDQ-OGQIGFOHSA-N 370.530 3.377 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCCN2C(=O)CO 26965400 LIKBOJNXLDAXPE-JRYMJUHKSA-N 363.542 3.353 0 1 FGAF CNC[C@H](CC1CCCCC1)NC[C@H](NCCC1CCCC1)[C@H](C)O 22938867 IHZXPILJAGSBJO-YYWHXJBOSA-N 353.595 3.054 0 3 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 28766429 RWBGTUPTUTZUOU-NTLKZJPLSA-N 369.505 3.452 0 1 FGAF COc1ccccc1CNC(=O)c1cc(-c2cc(F)ccc2OC)[nH]n1 61930141 NXMQDSJMJDRLRB-UHFFFAOYSA-N 355.369 3.163 0 3 FGAF COc1ccccc1-c1cn2c(n1)CO[C@H](CNCc1ccc(F)cc1)C2 2356506490 LELYRTBJRWRPSQ-QGZVFWFLSA-N 367.424 3.386 0 1 FGAF COC[C@H](C)NC(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987724 HTRXXSQYQPXLSJ-VIFPVBQESA-N 370.272 3.414 0 1 FGAF Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccc3)nn12 213528376 QNEMGQQTVGOFIC-UHFFFAOYSA-N 363.425 3.446 0 1 FGAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1CCOCC1 1911572804 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UMPVAACZJNCZQK-JLTOFOAXSA-N 350.374 3.478 0 1 FGAF O=C(N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)O)OCc1ccccc1 587202711 KYHAFACXHAKUAR-OAHLLOKOSA-N 373.796 3.138 0 1 FGAF CSc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 586952967 OOJNFQCRPKEHQB-UHFFFAOYSA-N 353.513 3.283 0 1 FGAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426729 PMVMMGAWRKMGOV-QVKFZJNVSA-N 370.376 3.349 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncncc12 587585954 IZFFAUAOECWLAP-WIYYLYMNSA-N 360.369 3.376 0 1 FGAF C[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C=C(c2ccccc2F)NO1 587157850 UISNDXRPYRHCGY-HXUWFJFHSA-N 364.380 3.378 0 1 FGAF CCOc1c(F)cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1F 962759022 AHSMLXJJQBAVTE-GOEBONIOSA-N 351.324 3.191 0 1 FGAF Cc1oc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962714911 RQTVIJHVWHTLBS-CXAGYDPISA-N 367.323 3.195 0 1 FGAF C[Si](C)(C)c1cc2ncc([C@H]3c4ccsc4CCN3C(N)=O)cc2o1 962719443 WRNXDVAASJAYFI-KRWDZBQOSA-N 371.538 3.461 0 1 FGAF Clc1ncc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)s1 1772611433 XUZXYEBCRSNLCA-UHFFFAOYSA-N 373.873 3.095 0 1 FGAF O=C1Nc2cc(-c3ccccc3)ccc2/C1=C/c1[nH]cc2c1CCNC2=O 12355014 XAOYZCFECWOXGY-BOPFTXTBSA-N 355.397 3.460 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]341 169295031 HZCJHCKFTKJLFP-ZPGKAZOCSA-N 353.462 3.104 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169342518 UHWPQNIXJFNMHO-YXCKHXJMSA-N 364.482 3.466 0 1 FGAF Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2c1[nH]c(=O)c1ccccc12 169352958 OOXIMZVAIVZRCI-UHFFFAOYSA-N 369.490 3.217 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1CCCC(=O)O 169622141 ZOCFIYOANZRNDX-DDEBSAQFSA-N 354.487 3.043 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C(C)=O)c12 209363152 VSTATXGOPJIXIJ-SNVBAGLBSA-N 353.382 3.052 0 1 FGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6416642 OKCMHICLASMMRR-WOSRLPQWSA-N 353.846 3.203 0 1 FGAF CCCn1c(C)nc2c(N(CCN(C)C)Cc3ccccc3)nc(C)nc21 7991908 CEGWGCWLMYDGOI-UHFFFAOYSA-N 366.513 3.421 0 1 FGAF COc1ccc2c(c1O)C[C@@H]1C=C[C@@]2(c2cc(OC)c(OC)c(OC)c2)O1 103247657 KTRJSWWSZPHHGM-ZSEKCTLFSA-N 370.401 3.181 0 1 FGAF CC(C)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 26466403 NJORTSQFZWUIIE-AYHJJNSGSA-N 370.541 3.049 0 1 FGAF COc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2ccc(Br)cc21 29308961 YTXQRQMSYHJJSQ-HNNXBMFYSA-N 368.614 3.299 0 1 FGAF Cn1nc(NC(=O)Cn2ccc(-c3ccco3)n2)c2c(Cl)cccc21 20166534 RGYADFBEEYCMMQ-UHFFFAOYSA-N 355.785 3.322 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@@H]3CN4C[C@@H](C)[C@H](CC[C@@]31CO)[C@H]42 28969666 QXIYBJSJMAMZDQ-XWRBFHOASA-N 373.537 3.395 0 1 FGAF Cc1n[nH]c(C)c1CCN(C)Cc1cccc(-c2nc(C)c(C)c(=O)[nH]2)c1 23339387 RVQOBEUTLGKHRC-UHFFFAOYSA-N 365.481 3.068 0 1 FGAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@H]3C1 2356721330 AXKLAIMNMYFDSU-CLSDPWILSA-N 359.510 3.406 0 1 FGAF CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 36330636 LNKIYLPMEGNRBY-UHFFFAOYSA-N 361.530 3.293 0 1 FGAF COc1cc([C@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc(O)c1OC 14641575 KBHNNERSMMYNCG-CYBMUJFWSA-N 360.362 3.144 0 1 FGAF biogenic COc1ccc([C@@]2(CCN(C)C(C)=O)CCc3ncccc3C2)cc1OC 14768398 UMUMEGIWYBLJKH-JOCHJYFZSA-N 368.477 3.394 0 1 FGAF biogenic CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1NC1CCOCC1 42922421 GSFZXNAIDBEEOZ-UHFFFAOYSA-N 366.421 3.188 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 40723245 XNCWDLBBWYSKHK-KIFDEWJASA-N 367.489 3.206 0 1 FGAF CCN1C(NCC(C)C)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C 195474138 IFSYXAWGAODQOG-BHIYHBOVSA-N 359.514 3.103 0 1 FGAF CCC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O 95561783 IZBPDMCAROTAKB-INIZCTEOSA-N 358.346 3.128 0 1 FGAF Cc1nc2sc([C@H](c3cccs3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 618006795 UNVUVWBTODINCS-KWBADKCTSA-N 364.496 3.065 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(Cc2ccccc2)nn1 299856413 BUWMPLNPXDEXSK-CSKARUKUSA-N 365.389 3.012 0 1 FGAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccco4)cc3)ccc12 299820651 ICRVSTBUSGAZHE-UHFFFAOYSA-N 354.391 3.206 0 1 FGAF COC(=O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590631 CVULDARNIGAMKI-MAUKXSAKSA-N 356.374 3.456 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905569 UHHTYTHTFDCOIE-UHFFFAOYSA-N 359.451 3.342 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCOCC1 587868644 NVUUIZALLGMSHD-UHFFFAOYSA-N 355.316 3.039 0 1 FGAF CC(C)(C)OC(=O)N1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)CC4 587213607 XZIMECDNUUVHLW-MRXNPFEDSA-N 354.406 3.080 0 1 FGAF O=C(O)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F 587005641 OBAPLECWEKILCV-UHFFFAOYSA-N 371.553 3.273 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586961552 KCSWVKSDFLFCRD-BYPYZUCNSA-N 357.226 3.196 0 1 FGAF N=c1[nH]c2nc(-c3cccc(Nc4ccc(O)cc4)c3)nc-2c(Cl)[nH]1 587242540 PEOQJGNXIUUWSO-UHFFFAOYSA-N 352.785 3.487 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1cccn(C(F)F)c1=O)N(C)[C@@H](C)C2 962633303 VDAODCZJAZCDOO-ZBEGNZNMSA-N 364.392 3.226 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1ccc(C(=O)O)c(O)c1)N(C)[C@@H](C)C2 962629483 PDVFCEIJNPZCHG-BBATYDOGSA-N 357.406 3.073 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCOC3)c2cn1)c1ccccc1 1772658127 UREHHTBQCIPCLV-TZMCWYRMSA-N 367.409 3.008 0 1 FGAF Cc1cn2cc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)nc2c(C)n1 1772630831 VKUYFMSZGKFZMH-UHFFFAOYSA-N 363.465 3.408 0 1 FGAF COCCCOc1cccc([C@H]2NC(=O)N=C3c4ccccc4C(=O)[C@H]32)c1 169726020 IBKMWBNOXGSSRZ-ZWKOTPCHSA-N 364.401 3.168 0 1 FGAF O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(/C=C/c1ccccc1)c1ccccc1 1640716 ZNJFSXPVEZDYHT-ODLZEIOTSA-N 363.457 3.225 0 1 FGAF NC(=O)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)ccc1O 1857599611 QOZHJSOZPJZYAW-UHFFFAOYSA-N 360.360 3.260 0 1 FGAF CCCN(CCOC)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2497993 CFEIXNWVUOTADH-UHFFFAOYSA-N 352.438 3.184 0 1 FGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049106 JXNYBDJEZKUIEO-FPOVZHCZSA-N 365.477 3.236 0 1 FGAF CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1 104040897 LJPBYSLOMPAOKJ-UHFFFAOYSA-N 366.421 3.026 0 3 FGAF CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)n1 101929557 HHSMVTBXPRFIKH-IFXJQAMLSA-N 363.527 3.242 0 1 FGAF COc1ccc(C[C@@H](CO)n2cc(-c3ccccc3)c3c(N)ncnc32)cc1 27994944 CTAZKUKBHBXUFJ-KRWDZBQOSA-N 374.444 3.465 0 1 FGAF CO[C@]1(C)CC[C@@H](O)[C@@]2(C)CCC3=C(C)C(=O)O[C@H]3C=C(C)CC[C@H]1O2 2356795902 MPOJJBAWHONZTN-QOLKULSZSA-N 364.482 3.452 0 1 FGAF CC(=O)N(C)c1cccc(Nc2ncnc(N3CCc4ccccc4C3)n2)c1 72108578 IFGPSBNNXHIVBK-UHFFFAOYSA-N 374.448 3.161 0 1 FGAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 36384362 RBYGVCYGHKLZPD-BLLLJJGKSA-N 362.376 3.000 0 3 FGAF C[C@@H](N=c1[nH]c2c(cnn2C2CCCC2)c(=O)n1C)c1ccc(Cl)cc1 1911572017 JUJQNPDYNQYEEF-GFCCVEGCSA-N 371.872 3.494 0 1 FGAF CCOC(=O)/C=C/CN[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 49115372 SGMIKGKYHBSLCM-PCLFDXGNSA-N 367.445 3.050 0 1 FGAF CCCCC[C@@H]1[C@H](/C=C/[C@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 44608723 MZYZWZXTHYCVHQ-VCKDCIDJSA-N 354.487 3.043 0 1 FGAF Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)C)CC2)ncc1Cl 142480005 BXHFCZLCYKOSOW-UHFFFAOYSA-N 358.873 3.410 0 1 FGAF C[C@@H]1C(=O)[C@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@@H]1O[C@@H]3C[C@@H]24 95918724 KMPKDIXKHRSLMM-IYNHJGCDSA-N 357.494 3.201 0 1 FGAF biogenic,in-vitro COc1ccc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3N)c2c1 653711566 SBFUQZIRRDKNPO-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ncnc4[nH]3)cc2N1 587126643 LSMOXIDIWUPGFA-IYSWYEEDSA-N 357.727 3.177 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 586949939 IEGTUYHUWPHUJC-UHFFFAOYSA-N 371.249 3.227 0 1 FGAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccco2)[C@H]1c1ccc(F)cc1 587359816 ZVUOVHUSQXNBNA-FXAWDEMLSA-N 368.316 3.463 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)cc(F)c3[nH]2)cc1 586941143 OPMBKIUTDCWCAS-FPLPWBNLSA-N 359.426 3.409 0 1 FGAF N[C@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1F 587144175 IXZIHHNWROGYJU-LLVKDONJSA-N 353.170 3.241 0 1 FGAF COc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cn1 587143595 AJQNLTKFBOGRBC-NSHDSACASA-N 365.206 3.111 0 1 FGAF Clc1nccc2nc(-c3cncc(I)c3)[nH]c12 587185293 RDCDNOBPVDBBAI-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587445962 ZNHZOQSZFFFTEN-IPSQOMKASA-N 371.433 3.068 0 1 FGAF Cc1nccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655955 DZVVVPFRGQAOCQ-UHFFFAOYSA-N 350.328 3.429 0 1 FGAF COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398672 GFPITSOGNCJFCM-GOSISDBHSA-N 357.406 3.318 0 1 FGAF COC(=O)c1cc([C@]2(c3ccccc3C)NCCc3c(C)ccnc32)c[nH]1 963078153 XKUYTCUJOJNUQJ-JOCHJYFZSA-N 361.445 3.251 0 1 FGAF Cc1cnc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963033874 VLOJHDCBKKJTGK-VOJFVSQTSA-N 372.266 3.295 0 1 FGAF COc1cccc(OC)c1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772592660 MJEWCPGPIITFHU-CQSZACIVSA-N 369.377 3.064 0 1 FGAF CCOc1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1 5004016 HSUJMGSSLALNBI-UHFFFAOYSA-N 363.373 3.180 0 1 FGAF CC1CCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1 168460973 OHMOEIZZRQGSGH-UHFFFAOYSA-N 351.494 3.471 0 1 FGAF O=C(c1ccc2c(c1)OCCO2)N1CCC2(CC1)OCCc1sccc12 1857648824 BKBGQBVNAZVZCT-UHFFFAOYSA-N 371.458 3.224 0 1 FGAF O=C(CSc1nnc(COc2ccccc2)o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 2881100 XWHDROLVRNMLEI-GZBFAFLISA-N 359.451 3.046 0 1 FGAF CO[C@@H]1C[C@@H]2[C@H]3CCC(=O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 2356332596 GLJYOQVDANSTQF-IUKXRXRFSA-N 352.386 3.115 0 1 FGAF COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 4161513 WQOBILQXDQMODH-UHFFFAOYSA-N 368.528 3.050 0 3 FGAF CN(C)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661918 FBZYFCZRLIJXDQ-UHFFFAOYSA-N 356.447 3.424 0 1 FGAF CC1(C)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 27842044 JIVXKAOAGSRRKK-DUZJROSDSA-N 367.489 3.437 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3C[C@H](C2)N1C 28880505 RZLQUOVZAKJBFU-LRXVAGHRSA-N 350.462 3.042 0 1 FGAF CC(C)(O)CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356596922 WIAKEFSWIGFRRS-QGZVFWFLSA-N 358.390 3.213 0 1 FGAF C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=O)O 40867343 XFAJVRZWASBIBG-MLOLEURXSA-N 368.518 3.077 0 1 FGAF CC1(C)C[C@@]2(CN(C(=O)c3ccccc3)C(=O)CO2)c2ccccc2O1 45315763 SCWGSTIHXPXOCH-OAQYLSRUSA-N 351.402 3.142 0 1 FGAF CC(=O)O[C@@H]1C=CC(C)(C)[C@H]2CC[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@H]4[C@]12C 96085459 IWHCUIYQYFOMEF-FBERYXRISA-N 372.461 3.330 0 1 FGAF in-vitro COc1cc(C)ccc1Oc1cccc(Cl)c1CN=c1[nH][nH]c(=N)[nH]1 473112957 DVYLSJAJEFZENH-UHFFFAOYSA-N 359.817 3.014 0 1 FGAF O=C(NCc1ccsc1)N1CC[C@H](c2nc(Cc3ccccc3)no2)C1 299824483 HHVNXALXKDOOTQ-INIZCTEOSA-N 368.462 3.421 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587156787 PVEJIFDNWCKSNS-VLIAUNLRSA-N 353.397 3.149 0 1 FGAF COCC(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587562840 GRFYRTZQCZEFFO-UHFFFAOYSA-N 351.122 3.102 0 1 FGAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(F)cc1 587637133 CLYPZESTMIWLMB-UHFFFAOYSA-N 355.321 3.413 0 1 FGAF O=S(=O)(/C=C\c1nc2ccc(Br)nc2[nH]1)c1ccccc1 586924693 UEYAESHXNWSWFD-HJWRWDBZSA-N 364.224 3.165 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)c(F)cc2[nH]1 587248480 QSZRFRDVRZBAJW-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc(OC)c1O 587873072 BTNIZQHGDAHWFB-UHFFFAOYSA-N 356.309 3.206 0 1 FGAF O=Cc1ccc(OCCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587566639 WTWAGQJZKZZCRL-UHFFFAOYSA-N 364.174 3.294 0 1 FGAF O=C(O)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604273 RVJBUWPXIJGNPT-TUIFFPIZSA-N 354.358 3.367 0 1 FGAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@@]1(C)c1ccc(F)c(F)c1 218702826 OQQHIFZVKVYHNB-KRWDZBQOSA-N 363.389 3.134 0 1 FGAF O=c1ccc(S(=O)(=O)c2oc3ccccc3c2-c2ccccc2)n[nH]1 11536189 YWFVMRGAGDNRMA-UHFFFAOYSA-N 352.371 3.016 0 1 FGAF O=C(C[C@@H](c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1 13490227 DYSJRNDWTMFCAH-KRWDZBQOSA-N 354.841 3.339 0 1 FGAF CC(C)(C)n1ncc2c(=O)n(Cc3c(F)ccc(F)c3Cl)cnc21 13831258 LZODDJUXJPCWCT-UHFFFAOYSA-N 352.772 3.328 0 1 FGAF O=C(Cn1cc(CCc2ccccc2)nn1)NC12CC3CC(CC(C3)C1)C2 169310916 RDWPBDOFOYAQOU-UHFFFAOYSA-N 364.493 3.148 0 1 FGAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3O)c2)nn1 1857588529 HVJYOGYWWCFYPM-UHFFFAOYSA-N 372.450 3.116 0 1 FGAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(Cl)cc1)C(=O)O 13758132 ISBUGRLVEGVIRZ-KRWDZBQOSA-N 374.886 3.467 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 3874791 DZUXGQBLFALXCR-UMWXLBHNSA-N 356.503 3.267 0 1 FGAF Cc1ccccc1-c1n[nH]c(SCc2cc(=O)n3ccsc3n2)n1 7007179 NBIDXSDUWMTRQS-UHFFFAOYSA-N 355.448 3.142 0 1 FGAF c1ccc(CN2CCN(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1 22941860 SPNLGNNYKMFNSO-UHFFFAOYSA-N 373.504 3.373 0 1 FGAF Cc1c(O)ccc2cc(-n3cc(-c4ccc(N(C)C)cc4)nn3)c(=O)oc12 53243076 QSBRXMYPIPYRGS-UHFFFAOYSA-N 362.389 3.121 0 1 FGAF O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1c1ccccc1 26656672 ZHORTEWAIPPSEA-ZDUSSCGKSA-N 373.217 3.025 0 1 FGAF CN1C(=O)[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21 22945187 UFFVYLYYQFBQCZ-HXUWFJFHSA-N 369.896 3.045 0 1 FGAF Cc1ccc(N2CCN(CC[C@H](O)COc3ccc(F)cc3)CC2)cc1 29484910 YLKZRBJJSDIAQM-FQEVSTJZSA-N 358.457 3.086 0 1 FGAF CCCn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccccc2)cc1 28523515 AMQJGWYOHFKADK-UHFFFAOYSA-N 359.476 3.477 0 1 FGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCF)[C@@H](c1ccc(Br)cc1)C2 28387188 OGMONSYQNAKIFE-JJXSEGSLSA-N 369.278 3.101 0 1 FGAF COc1cc(O)c(C=CC(C)C)c2c1C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 2356782240 DGBPCJYIKYLCQB-VQTJNVASSA-N 370.401 3.453 0 1 FGAF O=C(Cc1ccc(C(=O)O)cc1)NCc1ccccc1N1CCCCC1 27559584 OWQINDSGRLHZLU-UHFFFAOYSA-N 352.434 3.234 0 1 FGAF COc1ccc2c(c1OC)C(=O)[C@@H]1c3c(cc4c(c3-2)OCO4)C=CN1C 2356819075 DYTIEHIRXBMULE-KRWDZBQOSA-N 351.358 3.253 0 1 FGAF O=C1C[C@@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 66078297 NIZDXKKKAUREEY-WXOXAHCZSA-N 354.494 3.067 0 1 FGAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1 71333967 VMUQWDZAQHHYDS-UHFFFAOYSA-N 374.336 3.239 0 1 FGAF COc1ccccc1-n1c(C)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 37867130 WIRMHGGRDZOGIT-INIZCTEOSA-N 365.433 3.251 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 34008213 BHMBVRSPMRCCGG-CMLJBQNQSA-N 352.471 3.251 0 1 FGAF COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c(OC)c1 40918124 YJMGNXOUERDWGA-INIZCTEOSA-N 369.425 3.155 0 1 FGAF CS(=O)(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1F 40873436 ZRWABHYRUCRKHV-UHFFFAOYSA-N 358.398 3.398 0 1 FGAF CCc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1 84730684 CNWJZVFJMFMGFH-UHFFFAOYSA-N 374.246 3.275 0 1 FGAF C[C@@H](c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1 198475696 GAARDPHDHJVKSJ-AWEZNQCLSA-N 355.419 3.075 0 1 FGAF C[C@](N)(CO)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 40897660 FZQIESUNBLIFFX-NRFANRHFSA-N 356.466 3.127 0 1 FGAF COC(=O)[C@H]1CCC[C@H]2[C@@H]3C(=O)O[C@@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238784576 AGTVKDDCBZAARB-OLAZOIGQSA-N 374.433 3.314 0 1 FGAF CO[C@H]1C[C@H](CC[C@H]2C(=O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C(=O)O1 95913560 CYEDQJFHAOSLCB-YINDKQICSA-N 366.454 3.179 0 1 FGAF biogenic,in-vitro CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)C(C)(C)C 587204810 LUUMQQZGTCQNET-SECBINFHSA-N 353.854 3.488 0 1 FGAF CO[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358098 PIOMXQFGGWYRCQ-GGPKGHCWSA-N 358.365 3.064 0 1 FGAF COC(=O)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586996221 BOSLKKBBZXPHKA-CQSZACIVSA-N 361.195 3.194 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(=N)[nH]c2)N1 587742566 ASJIYEBXBKPCBG-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF CCCc1nc(-c2nc3cc(C(N)=O)ccc3[nH]2)nn1-c1ccccc1F 587155247 CBQRYQGHYBBQJA-UHFFFAOYSA-N 364.384 3.001 0 1 FGAF CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCC(=O)N1 587106750 NVEVFOXPGBWSEY-RXVVDRJESA-N 370.408 3.397 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C(=C\N(C)C)C(=O)OC)(C1CC1)CC2=O 587469593 NXHQOHDFJIARJQ-JQFUVSSDSA-N 373.449 3.077 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3ccc(C(=O)O)cc3[nH]2)C(F)(F)F)n1 587094130 KPAFIBDDGAFSDS-AWEZNQCLSA-N 371.340 3.019 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554494 IEVZHEBKWRUVHR-FNHZYXHNSA-N 360.337 3.014 0 1 FGAF CC(C)c1nn(C)c2c1[C@](C)(Cc1ncccc1Br)NCC2 962907698 IIBKGDDOOKBMQU-KRWDZBQOSA-N 363.303 3.305 0 1 FGAF Cc1cc(=O)c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2[nH]1 1772631702 FBWXXOXWOHFOKG-UHFFFAOYSA-N 351.425 3.298 0 1 FGAF Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)s1 12091925 WGGRMTHKRDAQML-HNNXBMFYSA-N 360.454 3.251 0 3 FGAF COc1ccccc1[C@H]1N(c2cccc(S(C)(=O)=O)c2)C(=O)C1(C)C 169324193 JTEHJTAGXBHCOJ-QGZVFWFLSA-N 359.447 3.213 0 1 FGAF CN1[C@@H](c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O 201590797 KROMBOYJTQZMDC-KRWDZBQOSA-N 361.373 3.205 0 1 FGAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(F)c1)CS(=O)(=O)O2 1857589976 VQKGCFOMIAUJJP-MRXNPFEDSA-N 358.394 3.174 0 1 FGAF NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1 1857628848 LCSHFPQAQGETQQ-JOCHJYFZSA-N 374.532 3.490 0 1 FGAF OCc1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26848772 WFMKOULAYUNIIA-HSZRJFAPSA-N 371.440 3.374 0 1 FGAF Cn1c(N2CCC[C@@H]2Cc2ccccc2)nc(-c2ccncc2F)cc1=O 114416866 ROEXPGOKMVNMLS-MRXNPFEDSA-N 364.424 3.193 0 1 FGAF CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3ccc[nH]3)c2)nc1N 103267347 STJOHENLXLTDDZ-UHFFFAOYSA-N 367.409 3.496 0 1 FGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)C[C@H](O)CC(=O)O 2356562326 QVYJIEVLAGBEIH-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF CC1(C)[C@H](O)CC=C2C[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]21 2356867094 VRNLFGHQVVPEKR-FPDPHYFHSA-N 374.433 3.259 0 1 FGAF O=C(O)c1cn(Cc2c(F)cccc2F)c2c(F)ccc(F)c2c1=O 43169346 QNJKXQPNYLFHHO-UHFFFAOYSA-N 351.255 3.304 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 40895634 FKMTZJPWARGCCN-OAHLLOKOSA-N 353.447 3.262 0 1 FGAF COC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1OC 85996453 IWYVMUDIEOXASM-VLGSPTGOSA-N 352.342 3.105 0 1 FGAF CN(C)c1cc(O)cc(OCCCCOc2cc(O)cc(N(C)C)c2)c1 40420707 QDEOTCOPLCBEON-UHFFFAOYSA-N 360.454 3.468 0 1 FGAF C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211064 QAVYOBOYYIBVDZ-CYBMUJFWSA-N 374.510 3.250 0 1 FGAF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 142312384 ZLYQZAXQLQPNPE-HNNXBMFYSA-N 369.465 3.335 0 1 FGAF CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)[C@H]2CCCC[C@@H]21 144443922 FPZJORKHWVTQBR-ROUUACIJSA-N 350.397 3.199 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(Br)[nH]nc3c2)cc1 95559975 GWLJQDPAILMSJL-UHFFFAOYSA-N 366.240 3.435 0 1 FGAF CC[C@@]12CCCN3C[C@H](OC)[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 238752271 BPDKTQZPNORXPH-MVWVFHAYSA-N 368.477 3.070 0 1 FGAF CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](O)[C@]1(C)CO)[C@@H]3CC2 238763026 PHVBYKAXONRGRQ-SGHQEVDSSA-N 362.510 3.460 0 1 FGAF Cc1sc2ncnc(N3CCC(CNC4CCN(C)CC4)CC3)c2c1C 146585631 OVHKUCAOQFNLCM-UHFFFAOYSA-N 373.570 3.208 0 1 FGAF CN1C(=O)[C@@](O)(c2cn(C)c3ccccc23)c2cc(Br)ccc21 95570121 UMGWHCLLORNXIV-SFHVURJKSA-N 371.234 3.153 0 3 FGAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Nc1ccccn1 98083683 URMNJKFZZCEBLA-ZAYGCWILSA-N 367.408 3.301 0 1 FGAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)C[C@@H](C(C)(C)O)O2 95591631 FWTSPMKFNWEBKW-YJBOKZPZSA-N 370.401 3.182 0 1 FGAF Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C 253650445 BAZQBEOFVYAFHT-CALCHBBNSA-N 371.460 3.143 0 1 FGAF COc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1C 586940868 IQFBCORIHQMVQR-HJWRWDBZSA-N 371.462 3.279 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586915066 ABYYZGGJRQLDKJ-FKIZINRSSA-N 362.389 3.361 0 1 FGAF Cc1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)co1 587656451 KSZXKRXCJJNXAF-UHFFFAOYSA-N 367.311 3.327 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587784239 GJRWMWOHRQHWMV-NEPJUHHUSA-N 354.337 3.344 0 1 FGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(N)c(N)cc3[nH]2)c1 587202945 JAECANIVVLWXGI-UHFFFAOYSA-N 366.425 3.244 0 1 FGAF COC(=O)CC[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525020 PBNXBDCCXAGYES-HRAATJIYSA-N 374.433 3.032 0 1 FGAF COC(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592183 IUPLEDONKNLDOG-OXTHUFEASA-N 368.385 3.456 0 1 FGAF Brc1cc(/C=C/c2nc3cncnc3[nH]2)cc2c1OCCO2 587002178 UUKCCJYSEYLULP-OWOJBTEDSA-N 359.183 3.057 0 1 FGAF COCn1ncc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763866 NASKDHHOHFHLRR-BONVTDFDSA-N 368.250 3.321 0 1 FGAF COC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587835540 PKIMPDAZYABGNG-BONVTDFDSA-N 358.251 3.359 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cccn2-c2cccc(F)c2)N1 962924724 UTIRDCTWKJKQKR-QFBILLFUSA-N 354.356 3.444 0 1 FGAF Cc1ccsc1[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCCN13 12449422 ISEFSCYFNKZOOS-ZWOKBUDYSA-N 353.491 3.390 0 1 FGAF O=c1c2ccccc2c(-c2cccnc2)nn1CCSc1ncccn1 13600577 FQXIKALNXKCYKQ-UHFFFAOYSA-N 361.430 3.041 0 1 FGAF CC(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2)C3)c1 101260775 OCCYGENKRRZWOM-OALUTQOASA-N 365.433 3.331 0 3 FGAF COc1ccc([C@H]2C[C@H]3C(Br)=C[C@H]2C(=O)[C@]32CO2)cc1OC 100264420 IROOANWXDOXFOH-RHPZDQPFSA-N 365.223 3.054 0 1 FGAF C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@H]12 100812292 QPJBHOWYFWNMHQ-ZYSHUDEJSA-N 366.461 3.404 0 1 FGAF O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3)CC2)o1 26294396 LSBZROOSVVDZOK-UHFFFAOYSA-N 367.424 3.139 0 1 FGAF CCCNc1c(C(=O)OCC)cnc2nc(SCc3ccccc3)nn12 27430323 KKPWMCQYUQAVOP-UHFFFAOYSA-N 371.466 3.415 0 1 FGAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@@H](CC4)[C@@H](C(=O)O)C[C@]54C(=O)[C@@]12CC[C@@]34C 2356647790 VZUWYTVCXIXPRR-GRGPEOFGSA-N 355.478 3.267 0 1 FGAF CC[C@H](C)C=CC=CC=C(C)[C@@H]1Oc2ccn(OC)c(=O)c2[C@H](O)[C@H]1C 2356717531 ASUFHYQPEHRMRK-NBPAUJCUSA-N 359.466 3.442 0 1 FGAF COC(=O)/C=C(\c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 73160182 AAWQSTSALDJMOQ-ATVHPVEESA-N 358.390 3.326 0 1 FGAF COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)(C)OC)ccc12 5380176 UPLMFBXLYYAFTF-AWEZNQCLSA-N 361.394 3.163 0 1 FGAF biogenic Cc1cc(OCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1 35996510 HZJLMGJUIYTSMU-UHFFFAOYSA-N 369.296 3.114 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)c1 35950212 IPFZKDYPXYBFPN-RBUKOAKNSA-N 355.869 3.170 0 1 FGAF F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174972 ZXQIHLJIAWEHOF-GDBMZVCRSA-N 363.396 3.023 0 1 FGAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(C)cc2)ON1C 95589724 DBZFIKFTEDSEIC-CABCVRRESA-N 356.359 3.161 0 1 FGAF COc1ccc(-c2cnn3c2nc(OCCN(C)C)c2ccccc23)cc1 96933159 QPGANJSNDJAYQK-UHFFFAOYSA-N 362.433 3.499 0 1 FGAF CC(C)C[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(C)CC1 299839004 PGWISHNVYNBZHY-IBGZPJMESA-N 374.916 3.489 0 1 FGAF COC(=O)[C@@H](C)[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587397816 BQBMNNFKJBLNHC-SPLOXXLWSA-N 353.418 3.333 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587440837 QVXLCKMZKRQSFI-DBLBYYFGSA-N 368.385 3.210 0 1 FGAF CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587400538 QPIMSPAGLAHZCH-OAQYLSRUSA-N 373.449 3.384 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(CO)cc3[nH]2)C(F)(F)C1 587132105 KAUKUMRDTOGEBP-NSHDSACASA-N 353.369 3.025 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(c4cccc(F)n4)CC1)[C@@H](C2)C3=O 587430213 ZISNTDQDAMBEPE-AWEZNQCLSA-N 354.381 3.016 0 1 FGAF CN1CCC([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587584442 YBRHPJDHSFXLLW-WIYYLYMNSA-N 353.418 3.454 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1)(c1ccc(F)cc1)O2 587385100 RDNLWBISUUJSTR-FQEVSTJZSA-N 351.381 3.474 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@@H]32)[C@@H]1c1ccc(F)cc1 587343631 CWBHLAOLDOKFIL-SBHAEUEKSA-N 353.393 3.497 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccccc12 587797341 WJTGQDRLWORQBQ-HUTHGQBESA-N 361.214 3.318 0 1 FGAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587526224 SHRDRXCMDXIXLP-OAQYLSRUSA-N 358.434 3.448 0 1 FGAF CN(C)CCOc1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176193 HBAUELLQXQGYLW-UHFFFAOYSA-N 365.412 3.440 0 1 FGAF COC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1OC 587127336 XHGLCGNPHMYNLG-UHFFFAOYSA-N 372.343 3.298 0 1 FGAF COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587398020 ZVOJFAGSYILJHZ-OAQYLSRUSA-N 364.401 3.401 0 1 FGAF Cc1c(O)ccc2c1[C@@](Cc1ccsc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963527885 RCHSEKFXWGBUBC-LRDDRELGSA-N 371.380 3.361 0 1 FGAF C[C@@]1(c2cncc(F)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978048 QOWYKKFZQILJBM-LRDDRELGSA-N 356.731 3.015 0 1 FGAF NCc1cccc(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)c1 218769282 SIVJHWHJXZXTCO-UHFFFAOYSA-N 360.841 3.230 0 1 FGAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2 1772605975 KSAOHIRQOBNYGF-RYUDHWBXSA-N 367.371 3.381 0 1 FGAF COc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C 169687181 IGXVWJWCUSMRHI-MOPGFXCFSA-N 365.429 3.303 0 1 FGAF CN(C)CC(C)(C)CN(C)c1nc(-c2ccncc2)nc2cnccc12 1857564765 DZFPOKOZZUSCGA-UHFFFAOYSA-N 350.470 3.111 0 1 FGAF Cc1ccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 1857567963 FBNGNCCFMDAVLZ-QGZVFWFLSA-N 354.431 3.343 0 1 FGAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1ccccc1F 1857620463 ZEALJXGAOBWJEA-UHFFFAOYSA-N 366.396 3.398 0 1 FGAF COc1ccc(OC)c([C@H]2CC(=O)c3c(O)cc(OC)c(OC)c3O2)c1 2356369009 OOLKJWIQJUZEKI-OAHLLOKOSA-N 360.362 3.133 0 1 FGAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1cccs1 7005146 HXJJXAZUAUNSKO-UHFFFAOYSA-N 364.448 3.199 0 1 FGAF C[C@H](C(=O)NCc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 103200941 JZKPFZNWHKYLLF-CQSZACIVSA-N 358.397 3.141 0 1 FGAF COC(=O)[C@H](C)Oc1ccc(N(C)c2nnc3cc(Cl)ccc3n2)cc1 29307862 KRPORSDDZYKAJO-NSHDSACASA-N 372.812 3.386 0 1 FGAF CN(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 38156021 QYKBEJIHKYFJQV-OAHLLOKOSA-N 359.369 3.282 0 1 FGAF O[C@H](c1nnc(N2CCCCC2)s1)c1c(F)c(F)c(F)c(F)c1F 82079047 BXEOQTNEYZOKKA-LBPRGKRZSA-N 365.327 3.306 0 1 FGAF CCOC(=O)c1cnc2c(ccn3cc(-c4cccc(OC)c4)nc23)c1O 84616363 MPYNNEUGIMKSKP-UHFFFAOYSA-N 363.373 3.440 0 1 FGAF COc1ccc(CCNc2nc(N3CCSCC3)ncc2C)cc1OC 82202827 FOFVILCRUZEMQN-UHFFFAOYSA-N 374.510 3.010 0 1 FGAF CC(C)(C)C(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377836344 VKCGDCRGMNACRZ-UHFFFAOYSA-N 351.251 3.319 0 1 FGAF C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)C2=C(C)CCN2C1=O 85647396 GLVRWKXCUGFBKO-KRWDZBQOSA-N 363.461 3.179 0 1 FGAF biogenic O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccc(Br)cc21 386979064 ZEYPYYXWRIPCET-UHFFFAOYSA-N 361.151 3.087 0 1 FGAF CN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(c5nn[nH]n5)CC[C@]4(C)[C@H]3CC[C@@]21C 653714291 VSQWRSWTFXPDHE-OZMCLOMFSA-N 367.497 3.367 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCc3[nH]ccc32)N1 587804011 QMASTNUJEDOVFE-ABKXIKBNSA-N 351.219 3.224 0 1 FGAF O[C@H](c1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 586997683 QJZHHQBBMUNYMP-OAHLLOKOSA-N 361.195 3.178 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cnc(=N)[nH]c1)[C@@H](C2)C3=O 587434442 VLOHYDCKOFYAMT-JXFKEZNVSA-N 359.385 3.053 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nn[nH]n3)cc1)CC2=O 587488164 YOZZGTLXHFMMDQ-QGZVFWFLSA-N 350.378 3.231 0 1 FGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cnccc41)[C@@H](C2)C3=O 587435938 KPHGGGSKUIRPHG-MBSDFSHPSA-N 369.376 3.326 0 1 FGAF C[C@H](n1cncn1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760786 QQSQIMUDAQQBQH-HFBDOXOYSA-N 353.239 3.190 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)c(C)c3[nH]2)cc1 586941421 STBCLLDVLSUKIY-KTKRTIGZSA-N 359.426 3.409 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnncc3[nH]1)N2 587033058 XPFVJLJAFLTGBH-DKBJHAQFSA-N 372.479 3.480 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cnc2[nH]1 587040707 ANOONVXFQUKBTJ-SNVBAGLBSA-N 369.288 3.341 0 1 FGAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(O)nc(O)nc3[nH]2)c1 587159239 NVJKZIUSQYIVGJ-UHFFFAOYSA-N 366.352 3.170 0 1 FGAF CC(C)[C@@H](c1nc2cnnc(O)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198779 OQPZBQXNXBBQMW-HNNXBMFYSA-N 355.398 3.024 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3nc(Br)c[nH]c-3n2)CC1 587952162 MBKXNPOIGPIRMF-WHXUTIOJSA-N 369.263 3.145 0 1 FGAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587794514 VLDBZIKGUBFRHC-GLEZIHRCSA-N 367.218 3.327 0 1 FGAF O=C(CCc1nc2ccnc(Br)c2[nH]1)Nc1cccc(F)c1 587162127 HOSZQVYVHUPBBC-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF Cc1noc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587793826 LKSXKLDFXQLADH-VXJOIVPMSA-N 354.223 3.272 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CN3CCOCC3)c1)O2 587401620 ULXQIXRXTLLYTF-HXUWFJFHSA-N 352.434 3.116 0 1 FGAF COc1cccc2cc3c(nc12)[C@]1(CCN2Cc4ccccc4N[C@H]21)NCC3 963049826 AYJUKSZCQQDXAG-PKTZIBPZSA-N 372.472 3.242 0 1 FGAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2cccnc2)OCO3)cc1 13530463 GDMJCMXVTCYKRJ-UHFFFAOYSA-N 367.426 3.472 0 1 FGAF CCOC(=O)[C@H]1Oc2ccccc2C(c2ccc(C)cc2)=C1C(=O)OC 13814269 QLXOXOOFYXFIBE-IBGZPJMESA-N 352.386 3.294 0 3 FGAF COC(=O)c1ccc2cc(C(=O)Nc3c(O)cccc3C(=O)O)ccc2c1 200775036 KCSXRMABVASOGR-UHFFFAOYSA-N 365.341 3.283 0 1 FGAF CCCCNc1nc(N)nc2ccn(Cc3ncc(C)c(OC)c3C)c12 208961694 NEOQGEIGQJXUML-UHFFFAOYSA-N 354.458 3.294 0 1 FGAF O=c1cc(Cc2ccccc2)nc2nc(Cc3ccc(Cl)cc3)[nH]n12 1857542689 QXRKKYPVOYSNFS-UHFFFAOYSA-N 350.809 3.253 0 1 FGAF COc1ccccc1C1=Nc2c(n[nH]c2C)N=C2NC(SC)=NC=C21 1857764759 SIJQHUZIRWDQLA-UHFFFAOYSA-N 352.423 3.097 0 1 FGAF CNC(=O)c1ccccc1[S@](=O)c1cccc2cccc(C(=O)O)c12 1039008 BAABZTNPWXJYDI-RUZDIDTESA-N 353.399 3.064 0 1 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@H]1c1ccc(OC)c(OC)c1 102740473 DWRNGVRNMLCPKO-UYTDBDHRSA-N 358.398 3.105 0 1 FGAF CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC 28009607 JJYVIROBSIPCFM-UHFFFAOYSA-N 360.458 3.208 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN[C@H]2[C@H](C(C)C)[C@H](O)C[C@@]13C 2356558412 YULGNBRYMYBJBM-DXOAHKCDSA-N 373.537 3.297 0 1 FGAF COc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2N)cc1 96905653 FUXCFWOOTWABSN-UHFFFAOYSA-N 351.435 3.441 0 1 FGAF COc1cc(Oc2oc3c(C)c(O)c(C)c(O)c3c(=O)c2OC)ccc1O 95486283 WBBWHVAVJHTHKC-UHFFFAOYSA-N 374.345 3.336 0 1 FGAF biogenic,in-vitro CCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565712 BOTGHLOGJRXAHL-UHFFFAOYSA-N 358.751 3.169 0 1 FGAF CN(C)/C=C/[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517888 WSYANCNEBJNHKF-RQWLHQTBSA-N 351.450 3.235 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]nc3ncccc23)N1 587792205 HDGYDZXQTNFYNZ-XLKFXECMSA-N 361.218 3.483 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587437620 KOMFECGGBVNVJL-AWEZNQCLSA-N 359.422 3.212 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(C)=O)cc3[nH]2)c1 586929944 DMCBXVLEJUQLPS-UHFFFAOYSA-N 371.462 3.463 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(OC)n1C)CC2=O 587460820 KETAVFXHTWNRDV-CYBMUJFWSA-N 350.802 3.447 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587230523 HLULRFWQMKMLJK-RKDXNWHRSA-N 373.350 3.156 0 1 FGAF Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(N)=O 586988029 VWZGBPNYBVXQMR-UHFFFAOYSA-N 369.380 3.256 0 1 FGAF N=c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c[nH]1 586984894 PYCRDTFCTGHFJP-MRXNPFEDSA-N 372.270 3.318 0 1 FGAF COc1c(F)ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1N 587133641 XFTAZMXTCNYGAM-UHFFFAOYSA-N 355.142 3.256 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 587236015 VMXWVYQNDLGJKJ-DGCLKSJQSA-N 374.441 3.295 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1cc4ccccc4o1)(C(=O)O)[C@@H](C2)C3=O 587455154 JXODOFAFKNLWKH-YCRPNKLZSA-N 364.353 3.255 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCC1CCC1 587869589 NAPYLAPRFCAEFX-UHFFFAOYSA-N 370.400 3.495 0 1 FGAF O=C(CNC(=O)c1ccc2ncccc2c1)Nc1cccc2c1CCCC2 149431664 ZSKBCMNMNDGHSY-UHFFFAOYSA-N 359.429 3.482 0 1 FGAF CCOC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599118 VOIGRLJEWBEGHA-PXNSSMCTSA-N 356.374 3.456 0 1 FGAF CC[C@]1(c2cc(N)ccc2C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228915 OTTJZBHCVWPPBH-RBBKRZOGSA-N 361.445 3.378 0 1 FGAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 5920286 QZIGLSSUDXBTLJ-DISONHOPSA-N 352.452 3.085 0 1 FGAF endogenous,world O=P(O)(O)Cc1cc(-c2ccc(Cl)cc2)cc2nc(O)c(O)nc12 13440448 BOHNVYNMBZWQNB-UHFFFAOYSA-N 366.697 3.039 0 1 FGAF CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)cc1 13472847 LYJQTSVEQCIDJT-UHFFFAOYSA-N 363.822 3.445 0 1 FGAF CN(C)Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCC2)o1 13602087 YRZUZQXXSISAKV-OAQYLSRUSA-N 357.450 3.462 0 1 FGAF Cc1cccc(C(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc2)c1 13760218 RFYOTUSBGCSEJO-QGZVFWFLSA-N 351.324 3.478 0 1 FGAF COc1ccc(-c2cnc3sc(NCc4ccncc4)nn23)cc1OC 117603413 VIGSQEUKTGDVBE-UHFFFAOYSA-N 367.434 3.482 0 1 FGAF O=C(O)C[C@@H]1CCN(CC2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356302741 XFSXVQNLQCHQKW-DLBZAZTESA-N 370.497 3.494 0 1 FGAF Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1 3299654 USCSGFLVXLAPQD-UHFFFAOYSA-N 361.810 3.121 0 3 FGAF CNC(=O)c1ccccc1[S@@](=O)c1cccc2cccc(C(=O)O)c12 4300968 BAABZTNPWXJYDI-VWLOTQADSA-N 353.399 3.064 0 1 FGAF NCCCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1 28523229 BVXNJSBORGGKPJ-SFHVURJKSA-N 357.841 3.462 0 1 FGAF C[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 2356657672 PQDLJCPCZJBEBP-ABZIQXBNSA-N 368.470 3.011 0 1 FGAF NCCCC[C@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O 29133331 YJDGJKULBWAHHK-QGZVFWFLSA-N 371.868 3.114 0 1 FGAF CCc1cnc(N2CCN(Cc3ccccc3Br)CC2)nc1 66075962 LVHVFOPULZGQOF-UHFFFAOYSA-N 361.287 3.124 0 1 FGAF CO[C@H](/C=C/c1ccccc1)C[C@@H](C/C=C/[C@H]1C[C@H](O)CC(=O)O1)OC 36441138 COSPBJKXLJQUJI-ZZYYCSFKSA-N 360.450 3.133 0 1 FGAF COC(=O)[C@]12C=C[C@@H]3O[C@H](O)[C@@]4(CCc5ccoc5)[C@@H]3[C@@]1(CC[C@H]4C)C2 15146379 BRSFRAPHIHWJKB-UHJGFZQTSA-N 358.434 3.081 0 1 FGAF biogenic OC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1 40934014 QWCBCDWVFAMHOI-UHFFFAOYSA-N 354.406 3.456 0 1 FGAF CN(C)CCSC1=Cc2nc3ccc(O)cc3c3c2C(=NCC3)C(O)=C1 14767198 RIWPEDWXGKLNDP-UHFFFAOYSA-N 367.474 3.377 0 1 FGAF biogenic O=C(COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144831701 GPUGGRPTSUSZPB-SFHVURJKSA-N 363.335 3.076 0 1 FGAF COc1ccc(C[C@H](C)[C@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 238781665 XCMBSKCLDDUGOR-YOEHRIQHSA-N 358.434 3.462 0 1 FGAF CCCCSC(=S)N1CCN(C(=S)NCc2ccccc2)CC1 299865365 NODLMBZGYKJIQX-UHFFFAOYSA-N 367.609 3.497 0 1 FGAF N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 586996243 CCPJDBOVBLPLDJ-GFCCVEGCSA-N 360.211 3.266 0 1 FGAF NC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580540 SBKHAYKKYYLMMC-FXAWDEMLSA-N 361.353 3.194 0 1 FGAF COc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C 587760318 XRMCCGUROBKVSB-VXJOIVPMSA-N 368.250 3.262 0 1 FGAF CCOC(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587043848 NYJXPNALUQEQOK-UHFFFAOYSA-N 353.403 3.451 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1OC 586918290 NVSNIKSLRLCLTN-UHFFFAOYSA-N 350.330 3.132 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2CNC=O)N1 587742193 JWJWIASSNNICEA-CJBNDPTMSA-N 369.278 3.254 0 1 FGAF CS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036928 PMIAVIBASIZGSW-CQSZACIVSA-N 350.490 3.407 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ncccn1)CC2=O 587478371 SCULQXMKSMJSII-QGZVFWFLSA-N 350.378 3.027 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587234011 VANJXYRJHSGOTK-ZOWXZIJZSA-N 359.430 3.447 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)c1 586922758 SHFFKGXUZMTJEG-UHFFFAOYSA-N 354.353 3.365 0 1 FGAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)NCCc2ccc(F)c(C)c21 962094857 TWMHVLHHHXZKGP-QFIPXVFZSA-N 369.436 3.354 0 1 FGAF N[C@H](Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1 13223128 PQGHNFKUZUGOKQ-OAQYLSRUSA-N 362.429 3.274 0 1 FGAF Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1 13582646 NKTGKAVJSAUPCX-UHFFFAOYSA-N 360.377 3.010 0 1 FGAF CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1cccc(Cl)c1)CC2 169325641 FYEBGZDULBQGEW-UHFFFAOYSA-N 359.861 3.218 0 1 FGAF Cc1ccccc1Cn1cc(COC(=O)NCCc2ccccc2)nn1 203462671 RYKJKGMPGOHZTQ-UHFFFAOYSA-N 350.422 3.104 0 3 FGAF NCc1cc(N2C(=O)CCc3c(OCc4ccccc4)cccc32)ncn1 1857574967 ZITNYCWNMVSHCI-UHFFFAOYSA-N 360.417 3.125 0 1 FGAF NC(=O)c1c(F)ccc2nc([C@H]3CCCN(Cc4ccccc4)C3)[nH]c12 1857618459 IAIGAHAVIQMTKW-AWEZNQCLSA-N 352.413 3.181 0 1 FGAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)N1CCOCC1 768663 YVWUQMNTNLMPEJ-HKUYNNGSSA-N 370.836 3.291 0 1 FGAF COc1ccccc1CC(=O)N1CCN(CCCc2ccccc2)CC1 27555815 ALTBSOACCKXMHT-UHFFFAOYSA-N 352.478 3.015 0 1 FGAF CCNC(=O)[C@]1(C)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61907302 YVYLBBZOPMJCOH-JOCHJYFZSA-N 350.462 3.193 0 3 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CCN4CC[C@]12[C@@H]3CC5 2356783678 LWTSCZYWXUUJKI-GFOJFJKKSA-N 352.434 3.086 0 1 FGAF O=C(NC1CCNCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(O)cc1)(C3)C2 1911582918 LFUKESFYALJSBD-MBWAJUJLSA-N 354.494 3.098 0 1 FGAF COc1cc(C(=O)n2ccc3cc4c(cc32)OCO4)cc(OC)c1OC 34647663 ZSOOHIKZXYGWCQ-UHFFFAOYSA-N 355.346 3.084 0 1 FGAF COc1cc(NC[C@H](CN)Cc2ccc3c(c2)OCO3)nc2ccccc12 45321826 UKICNZMIGIMRIU-HNNXBMFYSA-N 365.433 3.202 0 1 FGAF Cc1cc2c(-c3cncc(C)c3C)cnc(NC3CCNCC3)c2nc1O 473120154 CEQLQUDAUGBFDP-UHFFFAOYSA-N 363.465 3.487 0 1 FGAF C[C@]1(c2csc(=N)[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609729 DCMLBCRSKOJIBQ-KBXCAEBGSA-N 354.387 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(Br)cc1)[C@@H](C2)C3=O 587417496 LFLPEQDAOHXYBA-UGSOOPFHSA-N 373.202 3.457 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc12 587197757 MPCXEBHCIDQSMR-CYBMUJFWSA-N 362.430 3.309 0 1 FGAF O=c1c2cc(Cl)ccc2cnn1Cc1cncc(Br)c1 587650685 BKXWOUUPIYXBDC-UHFFFAOYSA-N 350.603 3.256 0 1 FGAF O=C1C[C@H]2CC[C@@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605067 XDRKJMDPJZQZIP-LJVSWFSJSA-N 350.370 3.482 0 1 FGAF NS(=O)(=O)c1ccc(CCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586930436 SXSNMCCYCAVEGN-UHFFFAOYSA-N 369.368 3.014 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CN3CCC2CC3)[C@@H]1c1ccc(F)cc1 587343371 BDDNEVIURXGBAZ-TZIWHRDSSA-N 353.393 3.355 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1C 587831220 HKOKNKRZLHPJGI-GCSBXEPTSA-N 356.235 3.289 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3n[nH]cc32)N1 587795157 NNQPMRSXUKRICW-FVMDXXJSSA-N 350.235 3.425 0 1 FGAF CNC(=O)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510511 HQPIWKHISTWLBA-HXUWFJFHSA-N 365.429 3.397 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cccnc3n2)N1 587776551 XYDWZSFOQNRZNB-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](C(C)(C)NC(=O)OC(C)(C)C)c3cccc1c32 963023316 JSBXSDIUBRHSJJ-YVEFUNNKSA-N 359.470 3.084 0 1 FGAF Cc1nc2sc3c(=O)n(-c4ccccc4Cl)nnc3c2cc1[C@H](C)O 1772576195 URGOKKQHJBMJAD-VIFPVBQESA-N 372.837 3.406 0 1 FGAF NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3 13532307 YKFDGWCTDGRKMH-LQBOVUBWSA-N 352.478 3.284 0 1 FGAF CN1CC[C@]2([C@@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 14923150 UEOHDZULNTUKEK-WAPCQROESA-N 374.532 3.085 0 1 FGAF endogenous,in-man Cn1cc(CN2CCNC(=O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 15064780 FECADBWCQXVWNE-UHFFFAOYSA-N 352.482 3.067 0 1 FGAF CCNC(=O)Nc1ccc2ncc(Nc3cnc4ccccc4c3)nc2n1 165271650 GTXHPXZGOMSYCS-UHFFFAOYSA-N 359.393 3.458 0 1 FGAF CC(C)[C@H](CO)NCc1nc(N2CCc3ccc(F)cc3C2)ccc1F 204407481 ISEOPFQIWYCKFR-IBGZPJMESA-N 361.436 3.029 0 1 FGAF OCc1cn(Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)nn1 1857639238 KDQZKBGAJBQDSR-UHFFFAOYSA-N 365.824 3.325 0 1 FGAF COc1ccc(-n2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)cc1 4238459 YFGLPENTQJMNTL-UHFFFAOYSA-N 359.389 3.236 0 1 FGAF CC[C@H]1C[C@@H](OC(C)C)N(C)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103215070 WOXIFYBESQTQTO-DZGCQCFKSA-N 368.865 3.383 0 1 FGAF CCCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O 27756027 UAOVIMNIJNDDNZ-ZDUSSCGKSA-N 354.878 3.221 0 1 FGAF Cc1cccc2c1nc1n2[C@H](CNCc2nc3ccccc3n2C)COC1 2356522745 RCOXGQSJLFQHHN-OAHLLOKOSA-N 361.449 3.093 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2356660147 GFUASHMLKMINGK-DYKFCPGESA-N 374.433 3.170 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45CCCN4CC[C@@]12[C@@H]3CC5 2356785029 RCUHTDKXOOGICH-PMXSJFBMSA-N 354.450 3.310 0 1 FGAF CC(C)C[C@H]1NC(=O)c2ccccc2-n2c1nc1cc(F)ccc1c2=O 36389162 LZDRRDSMIDPCJH-MRXNPFEDSA-N 351.381 3.355 0 3 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CCCC(=O)C[C@H]4O[C@H]3[C@H]2[C@H]41 13457093 ARTZUUBHXRPSMO-UTVLJRSKSA-N 364.482 3.142 0 1 FGAF biogenic Cc1cc(-c2ccc3nc(=NC(=O)c4cccs4)[nH]n3c2)cc(C)c1O 1911583540 MEIUUTQJPQBJPZ-UHFFFAOYSA-N 364.430 3.454 0 1 FGAF CC(C)CCNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 82205257 YYIWWKPHKGOEDL-KRWDZBQOSA-N 370.497 3.086 0 1 FGAF CC(C)(C(=O)O)[C@H]1CC[C@]2(C)O[C@@](C)([C@@H]3CO3)CC[C@H]2[C@]1(C)CC(=O)O 95911470 OQHHMEQHMAJSTD-NTSZXJHNSA-N 368.470 3.331 0 1 FGAF biogenic,in-vitro COc1ccc2c(=O)c(/C=C/C(=O)NCCc3cccc(F)c3)coc2c1 95589264 VCDYIAASQPANET-VMPITWQZSA-N 367.376 3.313 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]341 253806733 PAXDZHPBDVTZOB-ZLMBUJAHSA-N 367.489 3.350 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)([C@@H](C)CC(=O)O)O2 587388405 BRWYAZWSFSTNIN-YUNKPMOVSA-N 354.406 3.131 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cnc4c(F)cccc4c3N)nc2cc1OC 587177026 ZTJONYKXOHFWLC-UHFFFAOYSA-N 366.352 3.295 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCC(=O)N4CCc5cccc1c54)[C@@H](C2)C3=O 587437565 GYAGORHXJGXTGE-KSFYIVLOSA-N 361.397 3.021 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnccc3[nH]2)cc1 587041584 ZIXYUJROAYRDJO-MRXNPFEDSA-N 354.435 3.244 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586911740 MEVKDEBJZMOIQS-UHFFFAOYSA-N 371.462 3.150 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587738449 OMQSKUDFDDWGMW-JKYUHCHBSA-N 356.214 3.393 0 1 FGAF COc1cc(OC)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005772 REEQKIBXGPHXTR-UHFFFAOYSA-N 369.606 3.453 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 587151662 UMARXXFFEMFCNJ-ZDUSSCGKSA-N 351.740 3.329 0 1 FGAF O=[S@](CCCc1nc2cccnc2[nH]1)c1ccc(Br)cc1 586957656 AJNWSKZMORPCTA-OAQYLSRUSA-N 364.268 3.461 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(=O)O)ccn1 587868910 WUVVPMHOTQEUFH-UHFFFAOYSA-N 364.283 3.055 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586963598 OZYZBGKFGAZHNQ-NSHDSACASA-N 362.386 3.448 0 1 FGAF COc1cc(OC)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587084590 DGICVLFKQHVFJP-UHFFFAOYSA-N 373.844 3.408 0 1 FGAF Oc1ccc2c(c1)[C@H](c1c[nH]c(Br)c1Br)NCC2 963342684 RUGIVTRXBMVKEE-GFCCVEGCSA-N 372.060 3.480 0 1 FGAF CCOC(=O)C[C@]1(c2ccccc2F)NCCc2c1c(C(C)C)nn2C 962904094 BFKHEKNVHNCRBV-HXUWFJFHSA-N 359.445 3.025 0 1 FGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)cc1CO 962618785 DVDVPZCJSACBFO-LRTDBIEQSA-N 357.450 3.171 0 1 FGAF CN1CCc2c(Br)cccc2[C@@]12C[C@H](O)c1cccc(N)c12 963271946 YICHJJMJDJAXSE-FUHWJXTLSA-N 359.267 3.200 0 1 FGAF CCc1ncc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)s1 962966882 AZYBVNDJBDYFIE-YMTOWFKASA-N 358.797 3.325 0 1 FGAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccc(F)cc2)cc1 169693069 ZGOWFDNGFMMSOX-ZWKOTPCHSA-N 370.380 3.419 0 1 FGAF Cc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 206408822 LIXMKQTZSBXWIH-UHFFFAOYSA-N 373.388 3.181 0 1 FGAF CCC1=C(C(=O)OCc2ccc(OC)cc2)[C@@H](c2ccccc2)NC(=O)N1 205384107 CYSQLQKIDRFREY-LJQANCHMSA-N 366.417 3.457 0 1 FGAF NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1 1857759822 KFPMIJKGKHDSQV-XMMPIXPASA-N 374.532 3.490 0 1 FGAF Cc1ccc(CCCCCCSC[C@@](O)(CC(=O)O)C(=O)O)c(C)c1 13758316 VMBSPNUADFUOJZ-IBGZPJMESA-N 368.495 3.430 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCC1=CCCCC1 103536054 HARCJVGOFNKYQK-UHFFFAOYSA-N 350.422 3.248 0 1 FGAF CN1CCC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862373 YDMXRHFTXAEAFG-OAHLLOKOSA-N 373.453 3.275 0 1 FGAF O=C(Nc1cccc(F)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28522584 SRERTUCRFYUTPW-RTBURBONSA-N 354.429 3.048 0 1 FGAF CCCNc1cccn(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1=O 43014922 LRKZWDSGZDFRGJ-UHFFFAOYSA-N 368.264 3.293 0 1 FGAF COc1cc([C@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O 238737471 VBIRCRCPHNUJAS-SMHQJORMSA-N 356.374 3.205 0 1 FGAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OC3CCCCC3)c12 96911652 OABOPOOZMPYNPK-UHFFFAOYSA-N 372.465 3.270 0 1 FGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)NCCF)[C@@H](c1ccc(Br)cc1)C2 253975501 OGMONSYQNAKIFE-XUWVNRHRSA-N 369.278 3.101 0 1 FGAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2cccc(F)c2)c1O 587939880 DXYWXPGDMCYSOD-UHFFFAOYSA-N 365.158 3.145 0 1 FGAF COc1cccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652493 SRRWLXHFDAMYFD-LLVKDONJSA-N 358.781 3.166 0 1 FGAF COC(=O)C1=C[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587809448 RLZKBWRBXXZVLP-XXFAHNHDSA-N 354.219 3.211 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806082 JBNHWLKBTACQLC-YRXQGLPXSA-N 356.235 3.291 0 1 FGAF CCOc1ccccc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772633760 YIDJOZVPPSJUNK-INIZCTEOSA-N 353.378 3.445 0 1 FGAF O=c1[nH]c(=O)n(Cc2ccccc2)c2nc3cc(-c4ccccc4)ccn3c12 13475097 WYLMIXDGNXKIMI-UHFFFAOYSA-N 368.396 3.053 0 1 FGAF NC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 13680214 RLBJUMUHKDTSCO-UHFFFAOYSA-N 362.389 3.404 0 1 FGAF in-vivo O=C(O)COc1c(C(=O)O)sc(-c2ccc(O)cc2)c1Br 14955095 QZWUMLLRAVGBHC-UHFFFAOYSA-N 373.180 3.045 0 1 FGAF in-vivo Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12 204953703 AKGKAUQMOQCXDE-UHFFFAOYSA-N 365.452 3.390 0 1 FGAF COCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2ncccc21 205624611 NETGQGUFXRUGFA-AWEZNQCLSA-N 367.232 3.327 0 1 FGAF COc1ccc(N(C(=S)NCCCn2cncc2C)C2CC2)cc1OC 1857613719 NVANYJLERFSCHL-UHFFFAOYSA-N 374.510 3.142 0 1 FGAF OB1OCc2ccc(NC(=S)Nc3ccc(Cc4ccccc4)cc3)cc21 1857633145 UUKUJUWSPSBELY-UHFFFAOYSA-N 374.274 3.304 0 1 FGAF C[C@H]1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1 3050749 RRVSPDDSBFXOAM-AWEZNQCLSA-N 352.438 3.228 0 3 FGAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 3955875 FWQAEFUWPIQCEW-QFIPXVFZSA-N 365.477 3.219 0 1 FGAF O=C(CCC(=O)N1C[C@H]2CCCN2c2ccccc21)NCc1ccccc1 6914675 UZEFOPLJTWQRAH-GOSISDBHSA-N 363.461 3.099 0 1 FGAF Cc1ccc([C@@H](OC[C@H](O)CN2CCCC[C@@H]2CO)c2ccccc2)cc1 7239040 JIYCCBNQEPXSNK-ZLNRFVROSA-N 369.505 3.309 0 1 FGAF CNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1 58650484 LASGWNJRSNLLFV-UHFFFAOYSA-N 364.449 3.416 0 1 FGAF in-vitro CCN(C)C(=O)[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568266 UVOQIEBXUFHOKA-HYYMAHQNSA-N 357.494 3.314 0 1 FGAF in-vivo CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356494901 WOBJBCXZAWGJTK-LNLFQRSKSA-N 360.571 3.025 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc1 64526809 UFBRQERFYMHTLN-VSZNYVQBSA-N 361.438 3.462 0 1 FGAF O=C1C[C@@H](NC(=O)Nc2nc(-c3ccccc3)ns2)c2ccccc2N1 32517947 RNBNDNMNPFMACV-CQSZACIVSA-N 365.418 3.410 0 1 FGAF NC1=N[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)C2=NCCCN12 34659644 MVTVKWUNLOATLP-SFHVURJKSA-N 358.367 3.382 0 1 FGAF CCOc1ccc(-n2nc3c(N4CC[C@H](F)C4)nnc(C)c3c2C)cc1 72108986 YOXMEVDONXENBC-AWEZNQCLSA-N 355.417 3.379 0 1 FGAF O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccco2)ccc1=O 25429202 LTPDDKULTFIGLH-KGLIPLIRSA-N 366.442 3.429 0 1 FGAF biogenic COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@]1(C)c1ccccc1 299833286 KLRNYDZORGIYJJ-NHCUHLMSSA-N 354.402 3.259 0 1 FGAF C[C@@H](OCn1c(COCc2ccccc2)cc(O)nc1=O)c1ccccc1 653852820 KTONSKZSYAGEDQ-MRXNPFEDSA-N 366.417 3.401 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587780820 JHHDINAWYLNBLG-TWGQIWQCSA-N 371.462 3.043 0 1 FGAF Fc1cc2c(c(Cc3nc4cc(Br)cnc4[nH]3)c1)OCOC2 587171247 KAHSRRNPSRESOA-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cnccc21 587393933 BVPKZZWINKPGQD-JOCHJYFZSA-N 356.381 3.426 0 1 FGAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587196133 RGUCLTYFJSZJLI-ZDUSSCGKSA-N 372.494 3.031 0 1 FGAF Cc1sc2c(c1C)CCN[C@]2(Cn1nnc(N2CCCC2)n1)C(C)(C)C 963024352 MYWFLTXFTZGFPZ-IBGZPJMESA-N 374.558 3.039 0 1 FGAF COc1ccc2c(c1OC)[C@](C)(c1ccc(CC(=O)O)cc1)N(C)[C@H](C)C2 962628775 QFSVPHAXWSSCBV-PEBXRYMYSA-N 369.461 3.471 0 1 FGAF COCOc1cccc([C@@]2(c3ccccn3)NCCc3ccc(O)cc32)c1 963342658 RGRXGVVBEWSMFC-JOCHJYFZSA-N 362.429 3.208 0 1 FGAF CCC[C@@H](OC(C)=O)C1=C(Br)/C(=C/Br)OC1=O 6381248 ZHKRZTOJPXQAJI-BESBCXERSA-N 368.021 3.160 0 1 FGAF COc1ccc2cc(C(=O)NC3CC4(C3)CC(C(C)(C)O)C4)cnc2c1 1857541289 GJHQHRCEMFXWRQ-UHFFFAOYSA-N 354.450 3.303 0 1 FGAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@@H]1N=CN2Cc1ccc2ccccc2c1 1857545244 XZEKVKMBTWCCOJ-FCHUYYIVSA-N 368.440 3.149 0 1 FGAF CN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1 602685 OLWWIAFRNOFHTL-UHFFFAOYSA-N 353.397 3.456 0 3 FGAF in-vitro O=C(NC1CCCCC1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356321322 GSQMPDJGCJQDAW-RHSMWYFYSA-N 360.433 3.144 0 1 FGAF COc1c(O)c2c3c(c(O)c(CC=C(C)C)c(C)c3c1OC)C(=O)C(=O)O2 2356395308 OWDXYRKDUWGQAM-UHFFFAOYSA-N 372.373 3.187 0 1 FGAF C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)C1 20575546 OHPVSYMCQRIIFZ-GASCZTMLSA-N 350.466 3.424 0 1 FGAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 103347573 YYIBAMLKEKEKTB-ARSNJYAISA-N 372.402 3.305 0 1 FGAF COc1ccc(-c2ccnn2-c2cc(OC)c(OC)c(OC)c2)cc1N 29413202 VEGVQAZWJYWJRM-UHFFFAOYSA-N 355.394 3.156 0 1 FGAF Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCOCC3)cc12 118598463 RLAIROREOVIRRA-UHFFFAOYSA-N 366.393 3.303 0 1 FGAF COc1ccc(C=CC[C@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1 2356702644 NECYZFRKTWYGPO-DYESRHJHSA-N 358.434 3.458 0 1 FGAF O=C1NCCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 72107512 KTLIHDIRSACIQO-UHFFFAOYSA-N 366.826 3.027 0 1 FGAF CCCCN1C[C@H](CSC)[C@H](CC(=O)Nc2ccc(OC)cc2)C1=O 72136690 UUGHQANEKWDSNT-PBHICJAKSA-N 364.511 3.262 0 1 FGAF CCCCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1 43025019 SCNMSNVYVPITRM-UHFFFAOYSA-N 353.894 3.315 0 1 FGAF COC[C@H](C)OC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N 96929328 QMBCBWXRDZUQKO-JTQLQIEISA-N 351.424 3.206 0 1 FGAF COc1cccc([C@@H](c2cc3c4c(c2)CCN4C(=O)CC3)n2ccnc2)c1 95553573 QWICOJSARXCURX-NRFANRHFSA-N 359.429 3.365 0 1 FGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)Nc1ccsc1 43527063 WTRXSGKWQSGMQB-SOLBZPMBSA-N 362.543 3.066 0 1 FGAF biogenic COc1cc2c3c(c1)O[C@](C)(c1sc(=N)[nH]c1C(F)(F)F)[C@@H](C2)C3=O 587420991 JDYUCCYBMMUFJI-AYVTZFPOSA-N 370.352 3.246 0 1 FGAF O=C(/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1ccc(F)cc1 587166766 IOLBEQZZWGSQIL-WAYWQWQTSA-N 351.263 3.114 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587059284 NPAQIEHTEGOYCS-HNNXBMFYSA-N 350.827 3.092 0 1 FGAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(O)c2[nH]1 586952841 IMMFUISUSQTSET-UHFFFAOYSA-N 372.431 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc4ncnc(Cl)c4n1C)[C@@H](C2)C3=O 587419542 GUAZITGLTBAARB-BTDLBPIBSA-N 355.781 3.119 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCc3[nH]ccc32)N1 587803327 PBUJSICNTDSERZ-ABKXIKBNSA-N 351.219 3.224 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cnccn2)N1 587774668 NKDLXTSBNBDQTL-QLJPJBMISA-N 350.235 3.370 0 1 FGAF COc1cccc(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587931041 LFLUQGHBNOQKLU-UHFFFAOYSA-N 351.450 3.189 0 1 FGAF O=C1C[C@@H](c2nc3cc(Cl)ncc3[nH]2)CN1Cc1ccc(F)cc1F 587148637 JEDFSPOOAUUEFD-SNVBAGLBSA-N 362.767 3.406 0 1 FGAF Cc1c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cnn1C 587639259 YJDNCMKFHKJZPN-UHFFFAOYSA-N 351.284 3.320 0 1 FGAF CCOC(=O)/C(=C/N(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513783 UIHRCWFDUXHPFR-WYPWOVKWSA-N 357.450 3.298 0 1 FGAF N[C@H]1CC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587247039 SRGXLPJXOIBLBN-XPUUQOCRSA-N 350.138 3.429 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COCOC2)N1 587836685 XGWHKUPMOOAMDO-QFYYESIMSA-N 358.251 3.348 0 1 FGAF O=C(CSCc1nc2cnncc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114449 UJXQYQDAXVCYJP-UHFFFAOYSA-N 367.356 3.244 0 1 FGAF Cc1nc(Br)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587011369 NYYNAQMEEQLVTG-UHFFFAOYSA-N 365.256 3.459 0 1 FGAF COC(=O)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705714 NZKNSWVAPMHPRR-SREIQFSDSA-N 370.140 3.053 0 1 FGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cccc4c[nH]nc34)N12 962662947 JCVCUJJNZOTWPH-UGKGYDQZSA-N 372.428 3.299 0 1 FGAF C[C@]1([C@H]2COCCO2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644134 RATLADLQDPEMDQ-MDNUFGMLSA-N 364.489 3.064 0 1 FGAF CCOC(=O)c1cnn(C)c1[C@@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962953913 WRMLAZQGWLDOFI-KZULUSFZSA-N 352.438 3.092 0 1 FGAF C[C@]1(c2cc(-c3ccccc3)no2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905189 YOGTZOPYFMUGFI-PXNSSMCTSA-N 352.365 3.343 0 1 FGAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)[nH]1 962630061 HGQNEMURVYASQN-DOMZBBRYSA-N 354.328 3.218 0 1 FGAF CCC(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 167844244 XVEVTFRDAHRZJF-SFTDATJTSA-N 352.478 3.191 0 1 FGAF CC1(C)Cc2n[nH]c(=O)c3cccc4c3c2c(n4CCN2CCCCC2)C1 150191147 LNWPRZVIPZXIHL-UHFFFAOYSA-N 364.493 3.489 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H]2O[C@@H](CCCCC(=O)O)C[C@H]21 169692162 RJADQDXZYFCVHV-QRUWJSAHSA-N 354.487 3.283 0 1 FGAF COc1cccc(Cn2c(=O)cnc3cnc(Oc4ccccc4)nc32)c1 4239024 YGZREONIMCYPEH-UHFFFAOYSA-N 360.373 3.036 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2nccc(Nc3ccc(F)cc3)n2)c1 4257416 SQVNZKXRVBAUTH-UHFFFAOYSA-N 358.398 3.398 0 1 FGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ncccc4C)C[C@@H]3F)[nH]c2c1 2356354152 GKRHDPVBSULECK-HNAYVOBHSA-N 370.428 3.014 0 1 FGAF COc1cc(O)ccc1-c1c(C=O)c(O)cc2c(OC)c(O)c(OC)cc12 2356284368 YIKXOGPQEIHSIZ-UHFFFAOYSA-N 370.357 3.462 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCCC(C)C)N(C)[C@H]31 103675352 DYGXQRQTIDQEEG-SNRMKQJTSA-N 354.498 3.190 0 3 FGAF C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CCN(C)CC1 28816378 SJMBEOUPGLPONN-PMACEKPBSA-N 366.505 3.187 0 1 FGAF Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cncnc3)cc2)c1 100106754 QVVADCIQRXNSKX-ZBYYUNFXSA-N 360.436 3.223 0 1 FGAF CCCCc1ccc(-c2cc(CC)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29315361 CQFYDAWUAKNBHF-UHFFFAOYSA-N 350.426 3.419 0 1 FGAF Cc1nc(N)nc(-c2c(Nc3ccc4ccncc4c3)nc3ccccn23)n1 114523644 JBJBXMVUMJDDMK-UHFFFAOYSA-N 368.404 3.369 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@H]3C[C@@H]12 2356469693 XXZJUUFVWAGZEG-FWYGIPPASA-N 366.461 3.487 0 1 FGAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3ccccc32)CC1 27764181 DBJUQQIMRVGVCC-UHFFFAOYSA-N 351.425 3.104 0 1 FGAF COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1OC)c1ccccc1OC 2356726084 WGZKMINRLLRJPF-UHFFFAOYSA-N 366.369 3.194 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3ccc(C)cc3)CN1CC2 28821838 GERWSPQMPFXVPW-AQNXPRMDSA-N 352.478 3.426 0 1 FGAF Cc1ccc(OCCN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 61907305 YRCTWBDQTCSQNO-OAQYLSRUSA-N 368.433 3.206 0 3 FGAF COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@@H](NC(C)=O)C2)c1 214242873 FUMJKSZLZJFCAQ-GDBMZVCRSA-N 371.412 3.140 0 1 FGAF Nc1nc(N)nc(CN2c3ccccc3Sc3ccc(Cl)cc32)n1 49785951 QEXQZWNRCYXEBK-UHFFFAOYSA-N 356.842 3.492 0 1 FGAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCC3CCCCC3)co2)cc1 82073727 NVGHGACMALJVHI-UHFFFAOYSA-N 369.465 3.419 0 1 FGAF NCCOc1c(-c2ccc(N3CCCC3)cc2)[nH]c(=O)c2cc(F)ccc12 149138635 QVLGTURZQKWUBL-UHFFFAOYSA-N 367.424 3.272 0 1 FGAF CCOC(=O)[C@@H]1[C@H]2[C@H](O)C[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)N2C 253694903 WPSZKOIIDITBPV-APVVIDPYSA-N 358.265 3.094 0 1 FGAF COC(=O)[C@@]12C[C@H](C)[C@H]3[C@H](C)[C@@H](c4ccccc4[C@H]31)N2C(=O)C(F)(F)F 299813612 CTAGORHSTSPKPD-YAFCLRDYSA-N 367.367 3.433 0 1 FGAF NS(=O)(=O)c1ccc(F)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587142374 XHWFOFRCCGYLCH-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(OC)nc1)[C@@H](C2)C3=O 587429838 DJSZWQLOGFFDNW-BTYIYWSLSA-N 362.385 3.378 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncnn2c1 587586563 KRLHHPZZYUSKAF-XLIONFOSSA-N 359.341 3.138 0 1 FGAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H]1CCC(=O)N1 587106751 NVEVFOXPGBWSEY-WIYYLYMNSA-N 370.408 3.397 0 1 FGAF Sc1nc(S)c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587077579 WZVFMFSYXAXFEJ-VIFPVBQESA-N 363.855 3.201 0 1 FGAF COC(=O)c1cc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2cc1OC 587968408 CUKGIHADTWUEPA-BFHOYBQZSA-N 354.406 3.005 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCOCC2)N1 587834005 JOXGMDDLQSEOCU-QFYYESIMSA-N 358.251 3.359 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)C(C)(C)C 587205801 UGLPVNPMGJVJRE-JTQLQIEISA-N 353.854 3.440 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O 587418941 FIRRFRKXHWCQIY-XTZNXHDOSA-N 355.781 3.234 0 1 FGAF c1csc(-c2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)s2)n1 587023453 BHUXJJMAQRORMS-UHFFFAOYSA-N 351.420 3.391 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586947783 FTWJMPJQNKFTCU-UHFFFAOYSA-N 350.831 3.428 0 1 FGAF Cc1c(O)ccc2c1[C@@H](c1coc(-c3ccccc3)n1)N[C@H](C(=O)O)C2 963513130 YWMKYPDVUKKWPW-KBXCAEBGSA-N 350.374 3.044 0 1 FGAF C[C@]1(c2ccnc(Cl)n2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962772294 VRCCQBHPJXKLMY-NHYWBVRUSA-N 355.747 3.039 0 1 FGAF Fc1cccc(Cl)c1Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 919981 ICIHMOBVNKEIBQ-UHFFFAOYSA-N 373.819 3.018 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)O 13339102 CIMMACURCPXICP-JKRPIVRWSA-N 354.487 3.475 0 1 FGAF Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccc(Br)nc1 13560805 GCESCLVBELOUPK-JTQLQIEISA-N 354.635 3.300 0 1 FGAF COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc1OC 14645296 HIUKQMVQSJHRNC-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF endogenous,in-man COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\Br)cc1)N2 169300898 PETAHELMBJGYJY-MBAAJOFPSA-N 350.256 3.449 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](CCCC(=O)O)[C@@H](O)C[C@H]1O 169622200 ZOCFIYOANZRNDX-XPTHDSNDSA-N 354.487 3.043 0 1 FGAF COc1ccc(/C=C/[S@@](=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857648499 HZVCACSHIRILJU-LAUDKDLHSA-N 364.419 3.205 0 1 FGAF Nc1nc(N)c2c([S@](=O)c3ccc(Cl)c(Cl)c3)cccc2n1 25965011 MIZPOFIVXQCJFE-QFIPXVFZSA-N 353.234 3.268 0 1 FGAF COc1ccc(C(=O)N2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 2356316325 WNDQHRYADHQENV-YJBOKZPZSA-N 370.380 3.216 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@]3(CCN1CC2)CN(C(C)(C)C)C(=O)O3 29216314 UAYMKQDDOUCHPS-HRAATJIYSA-N 374.481 3.386 0 1 FGAF O=S(=O)(c1ccc(Cl)s1)c1cn([C@@H]2CCNC2)c2ncccc12 64479857 MRPLGTPQSAURRZ-SNVBAGLBSA-N 367.883 3.118 0 1 FGAF CCN(CC)CCCN1C(=O)C[C@@]2(CCCc3ccc(Cl)cc32)C1=O 27617826 MBDTZZFYWBBPEB-HXUWFJFHSA-N 362.901 3.405 0 1 FGAF COC(=O)C[C@@]12C[C@@H](O[C@@H]1C=C(C)CCC=C(C)C)[C@H](OC)CC2=O 2356512065 UQMNIDMLSKXSQI-QQTQMKHKSA-N 350.455 3.374 0 1 FGAF CO[C@]1(C)CC[C@@]23O[C@H]1C[C@]2(C)CC[C@@H]3[C@@H](C)CO[C@@H]1CCC(=O)O1 2356684022 JZLCLJJMCZVNMU-ZONMUQKMSA-N 352.471 3.445 0 1 FGAF C[C@@H]1NC(=S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1 29328431 CLTOUVBTMGFGES-BONVTDFDSA-N 360.870 3.086 0 1 FGAF CN1C[C@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 2356842114 MKWPNAPQANSTHU-MSOLQXFVSA-N 362.433 3.161 0 1 FGAF CC(C)CO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272657 LFHLKJQNWLMRJB-MRXNPFEDSA-N 366.849 3.091 0 1 FGAF O=C1N(Cc2ccccc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71331960 GIIGKQNSUMHKGM-JOCHJYFZSA-N 359.381 3.198 0 1 FGAF O=C(N[C@@H](CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 73314567 OEEGUWWPGAZRIJ-IBGZPJMESA-N 362.433 3.095 0 1 FGAF C[C@@H]1/C=C\CC(=O)NCc2cccc(c2)CNC(=O)N[C@@H]1c1ccccc1 73105843 KSBGAXIOHACUNA-ZTUKQDRRSA-N 363.461 3.439 0 1 FGAF Nc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3 43019075 SCOXJZOFKSYLHB-UHFFFAOYSA-N 371.429 3.168 0 1 FGAF CCOC(=O)c1cc(COc2cc(C(=O)OCC)nc3ccccc23)on1 40914296 NVPIKFGRPHLPEK-UHFFFAOYSA-N 370.361 3.155 0 1 FGAF O=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccn1 198486070 BMXVPWUWCSXCOL-UHFFFAOYSA-N 361.810 3.026 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 40651162 PAXDZHPBDVTZOB-BXRAYQFGSA-N 367.489 3.350 0 1 FGAF CC(=O)NC[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45370938 ZNNRUQNYKOFUES-INIZCTEOSA-N 353.447 3.442 0 1 FGAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCOC 82226278 KAYJMNJLHVGCPS-UHFFFAOYSA-N 355.442 3.447 0 1 FGAF COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3Cc2ccccc2)cc1 40422196 TZVJOPQQTYXFME-CTNGQTDRSA-N 350.462 3.113 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3[C@@]45C[C@@H](c6ccoc6)O[C@@H]4O[C@@H](O2)[C@]13CC[C@@H]5C 195502862 GRJSIUBKDJRQIL-XQSPBHTRSA-N 374.433 3.424 0 1 FGAF COc1ccc([C@@H]2C/C=C\C[C@H](C(C)C)NC(=O)CCC(=O)N2)c(OC)c1 95662287 JAOFQJJSSPFZCZ-WIJVFFIESA-N 374.481 3.132 0 1 FGAF CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(O)cc1 95604696 SZZAAWVRLZXTND-UHFFFAOYSA-N 367.405 3.258 0 1 FGAF COc1cc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)ccc1O 653715436 DEAPMBNLKWZAPS-ZRDIBKRKSA-N 354.450 3.052 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587236317 UOOYXNBOUGELBU-VHSXEESVSA-N 366.259 3.210 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437800 LKUIWSWDVDJKIC-FYYVMTAXSA-N 359.422 3.211 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccccc1F)(c1nccn1C)[C@@H](C2)C3=O 587428266 YPRJGXFKVSYCAN-BTYIYWSLSA-N 364.376 3.259 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1nccn1C)O2 587384024 JAYQXLIGSHKYFI-HXUWFJFHSA-N 351.381 3.359 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccnn3c2)N1 587790529 CKDCFXBMVFTLIX-JDNHERCYSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)nc(N4CCCC4)c1)[C@@H](C2)C3=O 587429354 UKUKJUJBHALNMJ-YCRPNKLZSA-N 368.408 3.492 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586890910 PQMBQMDSWQRMGL-WFTHSTBKSA-N 359.495 3.281 0 1 FGAF O=C(O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086944 JTPVYXCBPSKVQY-UHFFFAOYSA-N 351.957 3.131 0 1 FGAF COc1cc(C(C)=O)c(OC)n1NCc1ccccc1Br 587941514 SDVAWMNZTSXCEY-UHFFFAOYSA-N 353.216 3.214 0 1 FGAF COC(=O)[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441436 SZNWYDMKSBDGLX-VATIQMLTSA-N 368.385 3.124 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccccc1 587604333 STLHKQMTYRCALX-LAUBAEHRSA-N 362.337 3.334 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc[nH]c2=N)N1 587707296 VGQXOJOIAFLKTD-INWYIAFRSA-N 371.641 3.068 0 1 FGAF COc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774487 VQQMQHXOAIFWTH-VXJOIVPMSA-N 352.207 3.010 0 1 FGAF COC(=O)c1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)ccn1 961613233 HISUCEFMTXLRTJ-MRXNPFEDSA-N 373.250 3.398 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H](COc2ccccc2[N+](=O)[O-])COC1(C)C 219806194 RJEVHVDCQCLFSM-LBPRGKRZSA-N 352.387 3.346 0 1 FGAF biogenic CCOP(=O)(CC(=O)Nc1ccc2c(C)cc(=O)oc2c1)OCC 1772657451 TYQKKTVJJOWODO-UHFFFAOYSA-N 353.311 3.306 0 1 FGAF CCC(CC)OC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2 13741328 WPFLSCIXFFLQNF-UHFFFAOYSA-N 361.829 3.457 0 1 FGAF CC[C@H]1C[n+]2ccc3c([nH]c4cc(OC)c(OC)cc43)c2C[C@@H]1CCO 14722640 GCKWCJLBFDTZBI-KBPBESRZSA-O 355.458 3.207 0 1 FGAF Cc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 17222169 SZTDKVJTFXOKQW-MRXNPFEDSA-N 363.446 3.366 0 1 FGAF COc1cc(C[C@@H]2NCC[C@@H]3C(F)=C(O)C(O)=C[C@@H]23)cc(OC)c1OC 169306297 IUCYJGARTZONQF-XQQFMLRXSA-N 365.401 3.044 0 1 FGAF O=C(Cn1cc(-c2ccc(F)c(F)c2)nn1)NC12CC3CC(CC(C3)C1)C2 169310929 KIHNTCMWMHKLEM-UHFFFAOYSA-N 372.419 3.308 0 1 FGAF CCOc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709170 JJACLFZMIBPYLO-YWZLYKJASA-N 369.465 3.335 0 1 FGAF Cc1ccc(Cl)cc1-n1cc(-c2ncnc3[nH]ccc23)cc1C(N)=O 208314528 OYFHYNGYRZEOJP-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC(F)(F)C3)[C@@H]2CC1 254074092 CAYQPNQWOLHPCM-YXISZKLHSA-N 355.425 3.163 0 1 FGAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3CCC(C)CC3)sc2n1 752885 TUGDBEPDSKGGIE-UHFFFAOYSA-N 374.510 3.017 0 1 FGAF COc1ccc2nc3[nH]nc(NC(=O)Cc4ccccc4OC)c3cc2c1 4950604 CAHKMYAOLODAOM-UHFFFAOYSA-N 362.389 3.310 0 1 FGAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(F)ccc32)CC1 22940741 XISRGFHXAPVIRZ-TZIWHRDSSA-N 358.432 3.151 0 1 FGAF CCC(=O)O[C@H]1CC=C(C)CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C1C 2356563372 ZHSMTXSVUWPNHP-ZWKOTPCHSA-N 362.422 3.170 0 1 FGAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H](O)CC=CCCCC(=O)O 2356564656 WPLPEZUSILBTGP-GBESFXJTSA-N 354.487 3.353 0 1 FGAF CO[C@@H]1C[C@]23COC(=O)C2=CCC[C@@H]3[C@](C)(CC[C@@H]2COC(=O)C2)[C@H]1C 2356589089 SCUXVSVJZSSYMR-DWLRGLKESA-N 362.466 3.270 0 1 FGAF C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 29237931 BIZMIUGITFUEIN-QUYXGAPMSA-N 353.462 3.047 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@@H](O)[C@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2 14494422 GUGLXICOVCCFRU-OTWHNJEPSA-N 370.401 3.113 0 1 FGAF biogenic COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@@H](C2)N(C)CC4)OCO3 14858719 SIUUPYUVEJGARI-CQSZACIVSA-N 369.417 3.193 0 1 FGAF biogenic CCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1 95601906 WFIDVFYVUZUUSK-UHFFFAOYSA-N 357.435 3.476 0 1 FGAF Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(O)cc5[nH]4)c3N)ccc2[nH]1 149983640 SMAHSHLEAZMURC-UHFFFAOYSA-N 372.388 3.057 0 1 FGAF CCCCN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 98083992 VBVLDHQWGISOJW-MOPGFXCFSA-N 373.474 3.221 0 1 FGAF CCC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O 95561784 IZBPDMCAROTAKB-MRXNPFEDSA-N 358.346 3.128 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)s1)[C@@H](C2)C3=O 587453686 YLTVXLNWTHXPOU-DJJJIMSYSA-N 357.431 3.082 0 1 FGAF CCOC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595998 MMTVXSUYWLNUQL-LFRPXUGBSA-N 368.385 3.456 0 1 FGAF N[C@@H](N=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586997806 VFYHEWNCNGVYAF-KGLIPLIRSA-N 361.199 3.131 0 1 FGAF FC(F)(F)Oc1ccc2c(-c3nc4nc(Cl)c[nH]c-4n3)n[nH]c2c1 587126425 AUKIZCQKRVIHRE-UHFFFAOYSA-N 354.679 3.400 0 1 FGAF FC(F)(F)c1ncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 587040362 HJSHGQCUFNOAGC-NEPJUHHUSA-N 365.384 3.270 0 1 FGAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1OC 587216930 QXXPWLJKOBFIIR-OAHLLOKOSA-N 353.422 3.308 0 1 FGAF CC[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576223 IDRDXHHDBYYQCH-UZLBHIALSA-N 350.374 3.393 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)cc1O 587870459 JUDMFAVSZRPVBU-UHFFFAOYSA-N 356.353 3.491 0 1 FGAF CN1C=CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587338930 OZGMKYLUJRIKGS-YLJYHZDGSA-N 353.349 3.005 0 1 FGAF C[C@@]1(c2cn3cccnc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590874 ZSGKCKLOQDDQNW-UTKZUKDTSA-N 373.368 3.312 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(NCCc4ccc(O)cc43)[C@H]2C1 963351783 IUAGCTPVGUYYJU-UQASEVPWSA-N 358.482 3.400 0 1 FGAF OCC1(C[C@H]2CCCCO2)CCN(Cc2cccn2-c2cccnc2)CC1 12434961 BFAFHMHDPFHILB-OAQYLSRUSA-N 369.509 3.406 0 1 FGAF O=Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1O 169699683 HUKZJGIBVZQYMU-UHFFFAOYSA-N 352.434 3.087 0 1 FGAF COc1cc(Oc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC 1654704 LAFXCDLLFAXILV-UHFFFAOYSA-N 356.334 3.146 0 1 FGAF O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042084 SZGIPMPFZJEUPT-UHFFFAOYSA-N 356.422 3.357 0 1 FGAF CCCCCC(=O)CC[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356410672 APHSFGGFXCDPTM-DMUMMCEESA-N 370.486 3.202 0 1 FGAF CCc1ccccc1NC(=O)c1nnn(Cc2ccc(Cl)cc2)c1N 4933962 BLAXJKRHTDOHKM-UHFFFAOYSA-N 355.829 3.377 0 1 FGAF CC(C)Cn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643294 WSZXSZFRGVOFAU-HOTGVXAUSA-N 368.477 3.440 0 1 FGAF CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 29324440 OPAKKEAZIKVTMS-UHFFFAOYSA-N 357.450 3.289 0 1 FGAF COC(C)(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 115626101 AJHOTWRKECWBMP-UHFFFAOYSA-N 364.449 3.451 0 1 FGAF Cc1c(CC(=O)O)c2ccsc2n1S(=O)(=O)c1ccc(F)cc1 66098450 QYKDKHYDSONTKB-UHFFFAOYSA-N 353.396 3.014 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2CCOc2ccccc2)c1 61926155 OKBBNDRNXDDHOW-OAQYLSRUSA-N 370.449 3.186 0 3 FGAF COc1ccc2oc(=O)c3c(c2c1)CCN(CCN1CCCCCC1)C3 27740238 RTYCZOFAXFTMQL-UHFFFAOYSA-N 356.466 3.036 0 1 FGAF Cn1c(NCCN2CCCC2)nc2cc(-c3ccsc3)sc2c1=O 61930772 VCXMMBRDGHGJTK-UHFFFAOYSA-N 360.508 3.231 0 3 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@@H]1O 2356549675 DIYWZICECWKTIT-JPLJXNOCSA-N 372.502 3.402 0 1 FGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2CNC1CCCCC1 2356557607 UXYDDBLZCKSNAL-TZCGYRKZSA-N 366.505 3.082 0 1 FGAF Nc1nc(O)c(N=O)c(NCCCOc2ccc(C(F)(F)F)cc2)n1 27738617 JQAKHIWDSZZVRL-UHFFFAOYSA-N 357.292 3.062 0 1 FGAF C[C@@H]([C@H](C)Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 2356611174 MUMFFBHTQFUOMR-XAAFQQQXSA-N 358.390 3.398 0 1 FGAF CCNC(=O)[C@H]1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 61927461 ZFSXVLJIWJJACY-INIZCTEOSA-N 355.438 3.028 0 3 FGAF N=C(N)c1ccc(-c2ccc3cc(-c4cnccc4C(=N)N)[nH]c3c2)cc1 71294731 SZECCNIYJCUPQP-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@@H]1CN(CC3CC3)CC[C@@H]1N=C2 36088253 QCNXINIQJHEAHO-SJORKVTESA-N 356.857 3.232 0 1 FGAF Clc1nc(I)nc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2 72141369 XWERGTLMFCGDDO-XLPZGREQSA-N 374.613 3.445 0 1 FGAF COCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82146711 LFVXSMKGYNIBHE-UHFFFAOYSA-N 354.454 3.136 0 1 FGAF O=C(C[C@H](C(=O)Nc1ccccc1)N1CCOCC1)c1ccc(Cl)cc1 45365236 GQGOVJBXGDMDQN-GOSISDBHSA-N 372.852 3.252 0 1 FGAF Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3N)nc2n1 48656722 XKMXZCIBNOSUMO-UHFFFAOYSA-N 350.451 3.216 0 1 FGAF COc1cc(OC)c2c(OS(=O)(=O)c3ccc(C)cc3)ccnc2c1 45314766 PWXMUVMCTNTJBE-UHFFFAOYSA-N 359.403 3.328 0 1 FGAF O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@H](Nc1ncc(Cl)cn1)CC2 144983529 HXXQHUYXYGOSTC-GFCCVEGCSA-N 374.803 3.278 0 1 FGAF COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCCO2 238775827 OLIRVMPRFWLUGS-UHFFFAOYSA-N 365.385 3.013 0 1 FGAF O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OS(=O)(=O)C=C2 96914375 ADCUURKSMOIEGE-UHFFFAOYSA-N 350.779 3.181 0 1 FGAF COc1ccc(CNC(=O)c2ccc(OC)c(OCC3CC3)c2)cc1OC 473146887 DQAKFRGUNFBNBE-UHFFFAOYSA-N 371.433 3.431 0 1 FGAF CC(C)NC(=O)[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 299870095 MIXZPWBCEXVAQM-PTKIEIBWSA-N 357.494 3.360 0 1 FGAF in-vivo NC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587090868 ATVDARANBWPWOK-UHFFFAOYSA-N 352.341 3.378 0 1 FGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O 587096073 FHRZLMJLSUNPPB-PXARDIRTSA-N 370.408 3.067 0 1 FGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(C)(C)C)cc2[nH]1 586930503 QKGBTGZMCOBGIB-UHFFFAOYSA-N 373.478 3.395 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2cc1OC 587111180 AGDDJOMRDGMADV-UHFFFAOYSA-N 353.300 3.382 0 1 FGAF O=C1C[C@@](C(=O)O)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1 587526334 QSFGXVFCIZKKJO-NRFANRHFSA-N 362.385 3.387 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ncccn1)[C@@H](C2)C3=O 587435335 DWSKQGIZVYEDHW-JTSKRJEESA-N 358.397 3.485 0 1 FGAF COc1cncc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c12 587245269 SGRRFGJJKSBTQW-UHFFFAOYSA-N 363.377 3.106 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@@H](C)C(N)=O)c1)CC2=O 587469645 JIPNEPQVJMSZLC-BUXKBTBVSA-N 369.417 3.304 0 1 FGAF COc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587125781 UTBHGUOCPDXFJC-CPCISQLKSA-N 352.320 3.138 0 1 FGAF O=C(O)C[C@@H](O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888562 IOUOTOZDKZPOIW-NSHDSACASA-N 353.403 3.218 0 1 FGAF c1cncc(-c2noc(SCc3nc4cc5c(cc4[nH]3)OCO5)n2)c1 586967371 VIUKFSVELZUIAA-UHFFFAOYSA-N 353.363 3.029 0 1 FGAF Cc1cc2c(cc1O)[C@](c1cc(F)ccc1F)(C(C)C)N[C@H](C(=O)O)C2 963474127 USELMXCHLSNMRX-PXNSSMCTSA-N 361.388 3.477 0 1 FGAF Cc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1Br 5892532 GVGLMKYOVMDTIH-UHFFFAOYSA-N 373.258 3.181 0 1 FGAF COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832042 VYUJEBMBEWTQDD-UHFFFAOYSA-N 364.445 3.279 0 1 FGAF O=C(NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1 1857536858 IUFPMVNQGWCISR-UHFFFAOYSA-N 374.488 3.177 0 1 FGAF O=C1[C@H]2CC[C@@H](C2)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857763063 BEERPRMSTNISRY-RCBQFDQVSA-N 370.399 3.445 0 1 FGAF O=c1cc(-c2ccc(Br)cc2)sc(N2CCOCC2)c1 1492321 QZUNAXHRXHKZRZ-UHFFFAOYSA-N 352.253 3.374 0 1 FGAF O[C@@]1(c2ccc(Cl)cc2)c2ccc(CN3CCCC3)cc2C2=NCCN21 1662066 GVDCZRJSTYCQKW-NRFANRHFSA-N 367.880 3.205 0 1 FGAF C[C@@H](c1ccccc1)N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 2117212 VJKHLBNQKFPUQD-VBKZILBWSA-N 359.429 3.025 0 1 FGAF biogenic Cc1c(Cl)ccc(O)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2356336511 NYMYHEPTIAYLKM-HNNXBMFYSA-N 372.808 3.261 0 1 FGAF CCOc1ccc(-n2nc(C(=O)N3CCCC3)c3ccccc3c2=O)cc1 2942835 XABRAGVZHBOVSW-UHFFFAOYSA-N 363.417 3.020 0 1 FGAF Cc1nc2ccc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)cc2o1 115730409 YLZNJMYVEIDADZ-UHFFFAOYSA-N 351.366 3.238 0 1 FGAF C[C@@H]1C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H]1O2 2356657674 PQDLJCPCZJBEBP-ORPLQGLHSA-N 368.470 3.011 0 1 FGAF C[C@@H]1C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H]1O2 2356657675 PQDLJCPCZJBEBP-VMAIWCPRSA-N 368.470 3.011 0 1 FGAF CC(=O)CC[C@H](C=C[C@](C)(O)C[C@H](O)C=C(C)CCC(=O)O)C(C)C 2356744013 UUPXPGYKZYACRW-GGPKGHCWSA-N 354.487 3.497 0 1 FGAF Cc1[nH]ncc1-c1nc(NC[C@@H](N)Cc2ccccc2)c2sccc2n1 223665632 MCZSYSLIGBKUDS-AWEZNQCLSA-N 364.478 3.372 0 1 FGAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(CCN)C3)cc12 226074936 GODULGZLTRGVQA-ZDUSSCGKSA-N 354.429 3.126 0 1 FGAF O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95568398 DJWOYQIVAOPRML-HXUWFJFHSA-N 368.433 3.191 0 3 FGAF c1ccc2c(N3CC(Oc4nccnc4C4CCOCC4)C3)nccc2c1 96168954 SDSHDTHCFLJYHT-UHFFFAOYSA-N 362.433 3.186 0 1 FGAF COCOc1ccc(OC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444238 SHJZDOKVCYZYCL-QRWLVFNGSA-N 356.374 3.175 0 1 FGAF Oc1nc2cc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3cc2[nH]1 587007836 SSQUBTONJOFEGY-UHFFFAOYSA-N 369.182 3.451 0 1 FGAF FC(F)(F)c1cc(Br)cc2nc(CC3OCCO3)[nH]c12 586908626 OXJYQLYQQHFYPH-UHFFFAOYSA-N 351.122 3.260 0 1 FGAF CCOC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033940 CQDDKERVKXWQHK-UHFFFAOYSA-N 369.446 3.220 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587163659 UCAJUPOBAPODKU-UONOGXRCSA-N 359.426 3.223 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cc(F)c2[nH]1 587257013 XGPDTXQTMSCCME-SNVBAGLBSA-N 372.238 3.066 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(O)cc2[nH]1)C(F)(F)F 587091518 FBSVPPPLMPTPQX-MRXNPFEDSA-N 351.328 3.432 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ccnc3[nH]2)CCC(O)CC1 587236634 BWVIVWAEMUNCIR-UHFFFAOYSA-N 366.849 3.266 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@H](C)C(N)=O)c1)CC2=O 587469646 JIPNEPQVJMSZLC-CWTRNNRKSA-N 369.417 3.304 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCOCC2)N1 587836479 VSAOTICHOBNOTE-QMTHXVAHSA-N 358.251 3.359 0 1 FGAF Cc1c(-c2nc3ccc(C(N)=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075141 CLEOLEWXBMHYPA-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF COc1cc(Br)cn2ncc([C@@H]3NCCc4ccc(O)cc43)c12 963350462 BZAXHDBHYOBZIV-MRXNPFEDSA-N 374.238 3.046 0 1 FGAF COc1cccc2c1NC(=O)[C@]21c2cccc(Br)c2CCN1C 963279623 HNWUMKFYNATGGX-SFHVURJKSA-N 373.250 3.141 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(CCCC[C@@H]1C(=O)C(C)(C)C)N[C@H](C(=O)O)C2 963527572 PSCIXYKAIQKXGV-WIEQDCTASA-N 359.466 3.300 0 1 FGAF OCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(F)cc1F)[C@@H]23 1772635184 VMRXMBFTWJHIOM-ZSXHRAQDSA-N 350.453 3.022 0 1 FGAF C[C@H](O)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651113 DWMZMKQTXRLFTM-LPHOPBHVSA-N 362.429 3.238 0 1 FGAF CN1CCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2)CC1 169322297 NKIPRTCLKNFPJA-INIZCTEOSA-N 351.288 3.396 0 1 FGAF CCCN1C(=O)C[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1OC 206020818 HYWBTJQQRAWYSP-AZUAARDMSA-N 373.474 3.221 0 3 FGAF CN(C)Cc1ccc2nc(-c3ccc(F)cc3)c(-c3cc[nH]c(=N)n3)n2c1 1857586973 XZHZCDVNZVDFBB-UHFFFAOYSA-N 362.412 3.072 0 1 FGAF C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)cc2)C1 3327126 GADQNENXJPHFCR-SOUVJXGZSA-N 365.905 3.103 0 1 FGAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)N1CCOCC1 4056078 YVWUQMNTNLMPEJ-IEBWSBKVSA-N 370.836 3.291 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(COc3ccccc3-c3ccno3)nn1)C2 100597501 UBUFLYLYWLTPCL-BJWYYQGGSA-N 365.437 3.310 0 1 FGAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@@H]12 58550492 SEVLWERLWNROPL-RTBURBONSA-N 369.534 3.206 0 1 FGAF C/C=C1\CN2[C@H]3C[C@H]1[C@@H](C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 101269032 ZGOAABQSDQXUOB-URQQVPEVSA-N 366.461 3.224 0 1 FGAF c1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1 27562399 KPSXDGNFHFHNQT-UHFFFAOYSA-N 374.488 3.479 0 1 FGAF CC(C)CCN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 28957763 VPVVRFCKEBXXMA-MRXNPFEDSA-N 372.918 3.046 0 1 FGAF Cc1c(NC(=O)CCc2ccc(Cl)cc2)ccc2nc(N)nc(N)c12 25967863 WYAMVBVFLMIWRM-UHFFFAOYSA-N 355.829 3.327 0 1 FGAF CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1F 113490728 XNCUTAOOUAZFRX-UHFFFAOYSA-N 371.821 3.278 0 1 FGAF CC[C@@H]1CN2CC[C@]3(CNc4ccccc43)[C@H]2C[C@@H]1C(=COC)C(=O)OC 2356661013 PZTSJGMDSOZBEK-FLUSEDSTSA-N 370.493 3.174 0 1 FGAF c1cc2c(c([C@H]3OC[C@H]4[C@H](c5cccc6c5OCO6)OC[C@H]34)c1)OCO2 2356725858 MHWKVSWLLYGYHT-PURYLZLUSA-N 354.358 3.219 0 1 FGAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1 22450886 SGSNUYVZXCAQRH-OAQYLSRUSA-N 351.494 3.163 0 1 FGAF CS[C@H]1NC(=O)n2cnc(CCCCCOCc3ccccc3)c2N1 27108098 MPWBAWOTSFJNPY-QGZVFWFLSA-N 360.483 3.443 0 1 FGAF COC(=O)[C@H]1[C@@H](OC)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 34383284 OSHUAWJIVOSKAB-ZQCVIMGFSA-N 368.477 3.301 0 1 FGAF CCCCNc1ncc(C(=O)NCCCOC)c(-c2cccc(C)c2)n1 82145143 XMZKKVGIZWDVIL-UHFFFAOYSA-N 356.470 3.430 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)CC4)c3)c2c1 225674294 WMIJTBQNMQKKOA-UHFFFAOYSA-N 351.454 3.164 0 1 FGAF CC(C)(O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147542335 ZSKVDZRVDFNRJH-UHFFFAOYSA-N 371.458 3.139 0 1 FGAF Cc1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)on1 146168088 APXCHRRPLFZFMP-IXBGWNDUSA-N 365.405 3.296 0 1 FGAF CC1=C2CC[C@](C)(O)[C@@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 238778993 ZDOSZWDCFGTWLV-YWQQVWADSA-N 374.477 3.432 0 1 FGAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232710 JIVMNDWCIUEOIG-APWZRJJASA-N 371.440 3.170 0 1 FGAF biogenic COc1cc2c(cc1O)O[C@@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)[C@H](O)C4 43013064 SEIHXYPYVZURAM-SMHULIPUSA-N 370.401 3.085 0 1 FGAF biogenic Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C 473101604 KBOUWVHHHCCMNQ-ZDUSSCGKSA-N 361.369 3.312 0 1 FGAF O=C(Cc1ccccc1)NCCc1nc2ccc(Br)cc2[nH]1 587228437 LTYRUEPIUCPCAG-UHFFFAOYSA-N 358.239 3.227 0 1 FGAF Cc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 587037343 HTTJQECJXAHRLQ-SNVBAGLBSA-N 354.439 3.014 0 1 FGAF N=c1[nH]ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587184114 NYTKENYQFDFJGJ-PLNGDYQASA-N 362.174 3.145 0 1 FGAF N=c1[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc-2c(Cl)[nH]1 587006181 JOKGWHURMZRECX-UHFFFAOYSA-N 363.606 3.053 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]nc3ncccc23)N1 587797453 SPBZSLYBFKOZCP-ANRSDYALSA-N 361.218 3.483 0 1 FGAF O=C([C@@H]1CCOC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655903 HNNWJDQBRMQZOQ-GFCCVEGCSA-N 356.328 3.018 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)s1)([C@@H](C)O)[C@@H](C2)C3=O 587449220 BSNVTWMFFLFOAN-AVDZXXLSSA-N 350.823 3.434 0 1 FGAF CCOC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439152 JUGZTFRTLAGCRW-IIBYNOLFSA-N 368.385 3.126 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(C)cc1 587206005 IUBMQJLJGBPDOC-CQSZACIVSA-N 373.254 3.449 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2CNC=O)N1 587742198 JWJWIASSNNICEA-ZUCKAHLUSA-N 369.278 3.254 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncnc1C 587862688 VZXKJBFMXOTAFI-UHFFFAOYSA-N 362.311 3.364 0 1 FGAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cs1 587022282 WTITVGZYJPKGEB-UHFFFAOYSA-N 358.448 3.393 0 1 FGAF Cc1nc(Br)sc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587014013 GBEIAEAUYMZXMG-UHFFFAOYSA-N 372.269 3.161 0 1 FGAF O=C(C[C@]1(c2cccs2)NCCc2nc3ccccn3c21)C(F)(F)F 962981940 IGAKTZOKQWHFPO-MRXNPFEDSA-N 365.380 3.307 0 1 FGAF Cc1cn(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(=O)nc1O 1772648886 XOTWWJDXLBQJLM-UHFFFAOYSA-N 368.264 3.401 0 1 FGAF CCCCC[C@@H](O)[C@H](O)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 12496432 YCFPVUKKIWMCJK-YBNIRDONSA-N 354.487 3.353 0 1 FGAF endogenous,in-man COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CCOC(=O)CC1 13488539 DBATVNQYVGHPQA-OAQYLSRUSA-N 353.418 3.090 0 1 FGAF CC1(C)C[C@@H](C(=O)NC[C@H]2Cc3cccc(-c4ccncc4)c3O2)CCO1 14882274 IMWGMFCLKRLJIQ-ZWKOTPCHSA-N 366.461 3.374 0 1 FGAF O=C(CCc1ccccc1)Nc1cccnc1C(=O)Nc1nccs1 14965657 FCLYVBVBFFGRLY-UHFFFAOYSA-N 352.419 3.362 0 1 FGAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1cncc(F)c1)c2=O 1857619915 CSLYFAYWJTVTMO-UHFFFAOYSA-N 362.792 3.140 0 1 FGAF COc1nc2ccc(CSc3ccc(C(=O)O)cn3)cc2nc1OC 1857634393 UREPZWSDNOHLTL-UHFFFAOYSA-N 357.391 3.033 0 1 FGAF O=C1C[C@@H]2C[C@@H]2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857753837 KVGPSRLMTHROPM-ZENOOKHLSA-N 370.399 3.302 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccn4)C[C@@H]3F)[nH]c2cc1C 2356387853 JPNCARVVMIBOBS-QFBILLFUSA-N 354.429 3.314 0 1 FGAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCO 4212853 BYUGBUMUARIWMO-RBUKOAKNSA-N 362.470 3.208 0 1 FGAF C[C@@H]1CCC[C@H](NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)[C@@H]1C 4992543 AWEVTXRSEHXXIP-IOASZLSFSA-N 353.422 3.084 0 1 FGAF O=C(Nc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12 27651876 XLGVZHGBHDQYQM-UHFFFAOYSA-N 357.373 3.238 0 1 FGAF COc1cc(C(=O)c2[nH]c3cccc(OC)c3c2N)cc(OC)c1OC 29135649 MKSOHAFKYMFZOB-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 111920475 HJAWKNBVIUDPFZ-WBVHZDCISA-N 353.330 3.076 0 1 FGAF CC(C[C@@H]1OC(=O)C2=CCCC(=O)[C@]21C)=C1C[C@@H](c2ccoc2)OC1=O 2356708687 YSMKTAQFAWMSRW-KNBMTAEXSA-N 356.374 3.195 0 1 FGAF CCO[C@H]1c2ccc(OC)c(O)c2[C@@]23CC=C(OC)C[C@H]2[C@H]1N(C)CC3 2356782160 CYZDIDKGWZLCHU-DZLUEKEQSA-N 359.466 3.374 0 1 FGAF OC[C@@H]1C[C@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 2356855502 REAIVFLMPYAPSK-QYZOEREBSA-N 364.493 3.366 0 1 FGAF CNC(=O)/C=C\c1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12 84596666 JSDGKSMNPHJDFK-HYXAFXHYSA-N 353.403 3.033 0 1 FGAF c1cc(-c2nc(N3C[C@@H]4C[C@H]3CN4)c3c4c(sc3n2)CCCC4)ccn1 223659128 DVVLDQCXKWTHGM-KBPBESRZSA-N 363.490 3.183 0 1 FGAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)C1 82142534 BMHRIJWDJVUXSK-HUUCEWRRSA-N 354.454 3.455 0 1 FGAF CN1CCc2c(n([C@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc23)C1 238772856 NDSLNSBNOXPRGO-GOTSBHOMSA-N 358.489 3.460 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 253918454 SLKDSLAWMQSCJY-OSZUESSQSA-N 369.527 3.134 0 1 FGAF CC(C)Nc1nccc(-c2cc3n(c2)CCN(Cc2ccccc2)C3=O)n1 473129033 DXLFCNCRKRXJJA-UHFFFAOYSA-N 361.449 3.421 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN[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 299815019 QQXUUMQSOLWVHI-GNJMAEOTSA-N 354.538 3.341 0 1 FGAF CN1CCN(CCOc2nn(-c3ccccc3F)c3ccc(F)cc23)C1=O 653848727 MFXGWJILJOSHLE-UHFFFAOYSA-N 372.375 3.050 0 1 FGAF CCn1cc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587389708 IRTCXXOVYUVXHS-DUIUGDAFSA-N 354.454 3.038 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc[nH]n1 587859305 HYOOQWSRJKBDMR-UHFFFAOYSA-N 352.181 3.062 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(F)cc2)N1 587736894 VCHBGKOWUJVGOO-BTDLBPIBSA-N 368.221 3.497 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586940259 YHUXYPJLDKKNSE-LLVKDONJSA-N 373.434 3.035 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCCC[C@@H]12 587591866 XFJLJWVBZRSZPB-LVCYWYKZSA-N 351.402 3.351 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587445598 WMRFGMMWHZSRRC-LHSJRXKWSA-N 371.433 3.212 0 1 FGAF COC(=O)c1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1OC 587034458 GDHUMBACHYGWCG-OAHLLOKOSA-N 358.419 3.276 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(C1CCNCC1)[C@@H](C2)C3=O 587430047 YSZXSUTZMBEMBY-PGRDOPGGSA-N 367.420 3.477 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCO 587867946 SEGBHGNEEICORW-UHFFFAOYSA-N 357.332 3.165 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@](Cc3ccncc3)(C(F)(F)F)c3cccc1c32 963031614 REPQUALTKNDBLW-SCLBCKFNSA-N 361.367 3.135 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCCCC[C@H]2C(=O)C(F)(F)F)N1 962904920 OCRCHIBXIXTDDD-BNLOLNQZSA-N 373.346 3.332 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(C3CC3)nc1)(C1CC1)NCC2 962920668 CJHRSKJHLVGCEH-QHCPKHFHSA-N 361.489 3.460 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)c3ccoc3)ncc12 1772609245 ZJVWDWXRPRBXHW-KRWDZBQOSA-N 363.377 3.471 0 1 FGAF COc1ccc2nc([S@@](=O)Cc3c(N)cc(C)c(OC)c3C)[nH]c2c1 5891975 AQTPDRUJRKIGDI-RUZDIDTESA-N 359.451 3.087 0 1 FGAF Nc1ncc(Cc2ccc(OCCCOc3ccccc3)cc2)c(N)n1 13532891 CGTOIDPIJHADNI-UHFFFAOYSA-N 350.422 3.080 0 1 FGAF CCCCn1c(=O)cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731409 XFRTZUYXJVAJNT-ALOPSCKCSA-N 367.493 3.157 0 1 FGAF COc1cc2[nH]cc(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c2cc1OC 13737516 BVCGQEYSJSJEPY-KXBFYZLASA-N 369.446 3.167 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc([S@@](=O)c2ccc(Cl)cc2)cc1 169318955 SHRNAQHJYLQJNR-MYYSRTQBSA-N 367.898 3.244 0 1 FGAF COC(=O)[C@]12C[C@@H](C)[C@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 169352797 CTAGORHSTSPKPD-BYAFVZGASA-N 367.367 3.433 0 1 FGAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@H](c2cccs2)[C@H]1C(N)=O 169687839 KJOBGLWATYZABS-LSDHHAIUSA-N 351.435 3.112 0 1 FGAF Cc1ccccc1Cn1cc(COC(=O)N(C)Cc2ccccc2)nn1 169704557 OJTYSEJIXWWQAF-UHFFFAOYSA-N 350.422 3.403 0 3 FGAF C[C@H]1CNC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857753585 RSGGBJVXPLVEJD-SWLSCSKDSA-N 373.403 3.095 0 1 FGAF CNC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857761219 OVCWHIGLOHLLLW-ZDUSSCGKSA-N 364.833 3.047 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CC[C@H](c2ccccc2)C1 103536398 PZRQQJXBELOULL-INIZCTEOSA-N 372.428 3.258 0 1 FGAF Cc1nc(C)c(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)nc1C 103229255 IVHUDKIIJMQQPF-PXNMLYILSA-N 355.419 3.305 0 1 FGAF Cc1ccsc1[C@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1 100276012 CSSARJKEGIDOKL-LSDHHAIUSA-N 369.398 3.394 0 1 FGAF Cc1c2oc(CN3CCCC3)cc2cc2c(=O)cc(N3CCOCC3)oc12 26577588 GAHOWOFWGXOFQO-UHFFFAOYSA-N 368.433 3.280 0 1 FGAF Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 26830972 NRDJIOCQFPTJAK-YWZLYKJASA-N 367.445 3.226 0 1 FGAF CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(Cl)cc1c2=O 61921378 CYPWDQKJOFWOTQ-AWEZNQCLSA-N 354.797 3.019 0 3 FGAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccccc1F)[C@H](O)C(C)(C)O2 28770563 HEYOBJXWAYFHRR-ZBFHGGJFSA-N 363.410 3.093 0 1 FGAF COc1ccc(C=CC(=O)N(C)CCc2ccc3c(c2)OCO3)cc1OC 2356431798 GCZGBLOYAXGTBE-UHFFFAOYSA-N 369.417 3.147 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O 2356662632 ZWCXSDJYJHKYKN-IWVBUBEFSA-N 362.466 3.354 0 1 FGAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)[C@@]1(O)CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@@H]4C 2356863934 VJHKXZFTAJOMSE-LPRJHMTISA-N 373.537 3.370 0 1 FGAF Cc1ccccc1-c1cc(C(=O)O)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 36387811 KXBOVQQXCMVUCL-HNNXBMFYSA-N 362.389 3.145 0 3 FGAF Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccccc2)N(C)[C@@H]31 36378310 LEXMKBIUBIUDRP-IOMROCGXSA-N 374.488 3.345 0 3 FGAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1I 72106705 WBMPZVQIRAQADN-ONGXEEELSA-N 372.202 3.391 0 1 FGAF COc1cc(O)c(CC=C(C)C)cc1C(=O)[C@@H](O)Cc1ccc(O)cc1 42923114 XTDORSAGLFPXGX-IBGZPJMESA-N 356.418 3.401 0 1 FGAF biogenic,in-vitro COC(C)(C)[C@H]1CCCCN1C(=O)[C@@H]1CNC[C@]12CCCc1ccccc12 473182569 VZSJSTNSKJKXPA-MZKRTTBSSA-N 370.537 3.286 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@H]2C[C@H]1C(=O)O 587820209 AMKFFVYRWKYSMJ-SPMBDXOZSA-N 366.230 3.224 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587800204 VVNUIFWMLFIXAS-VATFKXGISA-N 356.235 3.363 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCOC)C(=O)OCC)CC2=O 587484542 SDBBEMDSLLEFJV-FOIQADDNSA-N 364.438 3.284 0 1 FGAF COc1cnc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1Cl 587065008 JSCFHAVOQNFLKL-UHFFFAOYSA-N 358.829 3.119 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCCC4=O)c1)[C@@H](C2)C3=O 587445745 XVUHDHZOWRBPAN-HTAPYJJXSA-N 363.413 3.485 0 1 FGAF COc1ccc(CCCc2nc3c(S)nc(S)nc3[nH]2)cc1OC 587926301 WNFVJGBLHFPKTB-UHFFFAOYSA-N 362.480 3.123 0 1 FGAF Cc1[nH]c(=NCCCC(=O)O)sc1-c1cc2c3c(cccc3n1)CC2 587359787 JGDHMRKYWBNQIF-UHFFFAOYSA-N 353.447 3.464 0 1 FGAF COC(=O)C[C@]1(Cc2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587386971 YJBJDVCOWXQBTC-FQEVSTJZSA-N 357.381 3.226 0 1 FGAF Cc1nonc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345429 JAGLTKCIFNIPJV-QFBILLFUSA-N 354.337 3.497 0 1 FGAF C[C@@H]1C(=O)OC=C[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962958984 PUJAAIOORGKHGC-XIKOKIGWSA-N 367.367 3.259 0 1 FGAF CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)NCCc2c1sc(C)c2C 963023165 LIBJWOQDTRGIDG-BEFAXECRSA-N 367.511 3.248 0 1 FGAF Cc1sc2c(c1C)CCN[C@]2(C)C[C@@](O)(c1nccn1C)C(F)(F)F 963035216 ZXKXMQGSYKBQTP-HZPDHXFCSA-N 373.444 3.300 0 1 FGAF COc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772569886 QEVWVBBDLLQTRP-UHFFFAOYSA-N 370.405 3.494 0 1 FGAF CCCn1c(=O)c2nc(C[C@@H](C)c3ccccc3)[nH]c2n(CCC)c1=O 11686881 RGQUABXNCRATEQ-CQSZACIVSA-N 354.454 3.053 0 1 FGAF C[C@H]1SCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 13759367 PYSHHWRNGOOSFR-OAHLLOKOSA-N 367.946 3.164 0 1 FGAF CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(Cl)cc1 26274558 WRRZNWPPSPLWOQ-UHFFFAOYSA-N 352.887 3.386 0 1 FGAF Cn1c(=O)sc2cc(C(=S)N3CCN(c4ccccc4)CC3)ccc21 1652421 QFYCLSYOHWWOGI-UHFFFAOYSA-N 369.515 3.098 0 1 FGAF Cc1cccc2c1nc1n2[C@H](CNC(=O)c2ccc(Cl)cc2)COC1 2356378994 DJASIEUZHWOMAO-OAHLLOKOSA-N 355.825 3.499 0 1 FGAF COc1cccc(C(=O)N2N=C3CC[C@@H](C)C[C@H]3[C@]2(O)C(F)(F)F)c1 4321062 GMGHJFBTPZFADD-ZXIHIIQKSA-N 356.344 3.194 0 1 FGAF CC(C)(C)OC(=O)n1cc(-c2ccc(NC(=O)c3ccc[nH]3)cc2)nc1N 103267309 XXEGFBYTULJGTG-UHFFFAOYSA-N 367.409 3.496 0 1 FGAF CC[C@H](C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 66167324 AJXYJYOVDYRVNK-KBPBESRZSA-N 356.869 3.485 0 1 FGAF Cn1cnc2c(NC3CCN(Cc4ccccc4)CC3)nc(Cl)nc21 26638842 WVEUAEGKCNFJDF-UHFFFAOYSA-N 356.861 3.093 0 1 FGAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2)cc1OC 36416943 FGMQIGBHXSBGMS-UHFFFAOYSA-N 356.374 3.189 0 1 FGAF in-vivo CO[C@H]1Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2C(C)(C)[C@H]1O 13459659 VOVTXFRZQXJNOQ-PMACEKPBSA-N 368.385 3.169 0 1 FGAF biogenic COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(F)c3)c2cc1OC 40919046 YFHPRHLQMZBFDQ-UHFFFAOYSA-N 359.332 3.373 0 1 FGAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCOC 82180048 WDRHQHZKBSZQFJ-UHFFFAOYSA-N 353.470 3.470 0 1 FGAF Cn1cc(-c2ccc(CN3C(=O)C(=O)c4c(F)ccc(F)c43)c(F)c2)cn1 49793581 JIIPPGCWHGFEFP-UHFFFAOYSA-N 371.318 3.234 0 1 FGAF Cc1nn(C(=O)c2ccc(N)cc2)c2c1nnc1cc(Cl)c(F)cc12 95559884 OVVDRXHNYZGIIH-UHFFFAOYSA-N 355.760 3.351 0 1 FGAF CS(=O)(=O)c1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1 299833301 RLCURGYYIWJOMO-UHFFFAOYSA-N 355.444 3.497 0 1 FGAF OC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOCC1 586913099 IEGGXWALSRARJA-UHFFFAOYSA-N 365.149 3.342 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2N)N1 587746131 LLYPZOQKOHQUBX-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF CCn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583225 UTIWCNHFJCOGMH-XLIONFOSSA-N 350.374 3.486 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1NC=Cn2cccc21 587584868 ASLPKKBVSBYDAT-UEXGIBASSA-N 360.369 3.297 0 1 FGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)C(C)C)[nH]c3c2)cc1 587259130 QGOHHEVRRAIUQH-KRWDZBQOSA-N 374.466 3.028 0 1 FGAF CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)CC4 587211117 CEZDSMKSZUKVAC-KUHUBIRLSA-N 363.413 3.016 0 1 FGAF COC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836665 XCNFDXYLNONWJY-GTNSWQLSSA-N 372.278 3.391 0 1 FGAF Cc1ccnc2c1CCN[C@@]21C[C@H](OCc2ccc(CN)cc2)C12CCC2 963071637 KGVIYKIQNZQHQS-REWPJTCUSA-N 363.505 3.349 0 1 FGAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906750 QWYIHJKCGGVAAR-LRDDRELGSA-N 356.319 3.045 0 1 FGAF O=c1c2cccnc2sn1-c1ccc(I)cc1 13738524 ZOFPPOPTRJOWCO-UHFFFAOYSA-N 354.172 3.052 0 1 FGAF Cc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)oc4C3)ncnn12 169711686 HFDPSIOPRFPKRB-UHFFFAOYSA-N 352.442 3.059 0 1 FGAF COc1ccc2cc3n(c(=O)c2c1)CCc1c-3cc(OC)c(OC)c1OC 1629164 ZMDCGCGRBISEGW-UHFFFAOYSA-N 367.401 3.259 0 1 FGAF CC1=CN2C(=O)[C@](Cc3ccccc3)(NC(=O)c3ccccc3)N=C2C=C1 6806663 JLRAZTXVFQLETF-QFIPXVFZSA-N 357.413 3.070 0 1 FGAF O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC(=O)N1Cc1ccccc1 58576524 RHQHVNCBLRJDET-KRWDZBQOSA-N 360.816 3.287 0 1 FGAF O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100293743 UIZNMIBTZJJCGV-IAGOWNOFSA-N 362.410 3.299 0 1 FGAF CC1(C)c2cc(OCC(=O)O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114800509 VBKIEGIMQUUFOU-UHFFFAOYSA-N 360.369 3.373 0 1 FGAF NC(=O)c1cccc2c(NCc3cccc(Br)c3)ncnc12 114347890 GHPPBFVKOZAUET-UHFFFAOYSA-N 357.211 3.103 0 1 FGAF CCCCCC=CC[C@H](O)[C@@H](O)C=C[C@H](O)CC=CCCCC(=O)O 2356564657 WPLPEZUSILBTGP-QYZOEREBSA-N 354.487 3.353 0 1 FGAF COC(=O)[C@@H]1CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@H](C(C)=O)C[C@]12C 2356587143 AGTVKDDCBZAARB-ADUPTKPHSA-N 374.433 3.314 0 1 FGAF O=C1c2cc(Br)c(Cl)cc2-n2c1nc1ccccc1c2=O 64448502 XONCTYXFUOIWHQ-UHFFFAOYSA-N 361.582 3.346 0 1 FGAF Cc1ncccc1-n1c(/C=C/[C@@H]2CS[C@H](C)N2)nc2ccccc2c1=O 87723042 WBWAZJZTZKCTRD-SXKCSBRWSA-N 364.474 3.153 0 1 FGAF C[C@@H]1CNc2c(sc3ccc4nc(-c5cncnc5)ccc4c23)C(=O)N1 43011202 BOGPCCOCPGCUAT-SNVBAGLBSA-N 361.430 3.450 0 1 FGAF C=C(Br)C(=O)Nc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 96905873 QCSWEIIJYLHBBR-XFFZJAGNSA-N 367.224 3.200 0 1 FGAF O=S(=O)(Oc1cc(CSc2ccccn2)[nH]n1)c1ccc(F)cc1 653889446 ACMYBKPGQBCBEM-UHFFFAOYSA-N 365.411 3.004 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](/C(Br)=C/N(C)C)CC2=O 587451713 JZQYILKYGVZXQI-LMRWQKIVSA-N 354.244 3.476 0 1 FGAF Cc1[nH]c(-c2ccco2)nc(=S)c1-c1ccc2c(O)nc(O)nc2n1 587563266 QQWRFBLHFSMWTG-UHFFFAOYSA-N 353.363 3.124 0 1 FGAF NC(=O)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005826 VIBOPBDAKVGNIR-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF FC(F)(F)Oc1ccc2c(-c3nc4ncnc(Cl)c4[nH]3)n[nH]c2c1 587126982 JMMXKSSBLGFNLI-UHFFFAOYSA-N 354.679 3.448 0 1 FGAF O=C(O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587008828 YQJREEKQGLQQCW-UHFFFAOYSA-N 357.167 3.338 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)nc2[nH]1 587194637 WOQBURGEOBWAMZ-LLVKDONJSA-N 353.854 3.129 0 1 FGAF COC1([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)CCCCC1 963240886 ZSHKSPPFIICMSB-AZUAARDMSA-N 354.450 3.398 0 1 FGAF Cc1cc2c(cc1O)[C@](COC=C(F)F)(C(C)(C)C)N[C@H](C(=O)O)C2 963549199 JCKCZCGOHWKTCQ-SCLBCKFNSA-N 355.381 3.295 0 1 FGAF CO[C@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 13411688 UUUXPUGZNDRYSV-XFQAVAEZSA-N 370.401 3.164 0 1 FGAF Cc1nc2ccccc2nc1CN1CCC(CO)(C[C@@H]2CCCCO2)CC1 13636852 HOTHVWYEEUHUJS-SFHVURJKSA-N 369.509 3.472 0 3 FGAF Cc1ncc2c(c1-c1noc(-c3ccc(-c4ncc[nH]4)s3)n1)CCNC2 19146197 JNZXWPJVUHAQIC-UHFFFAOYSA-N 364.434 3.204 0 1 FGAF Cc1ccc(-n2nc(C)c3c2OS(=O)(=O)C[C@H]3c2ccccc2)cc1 1857582309 VMYRFKADLBRGRC-KRWDZBQOSA-N 354.431 3.343 0 1 FGAF O=C1CC[C@@H]2C[C@@H]2N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857647548 JAHXCBDOLRBKOD-URFZZILJSA-N 370.399 3.445 0 1 FGAF CCCN(CC(F)(F)F)C1=C[C@H]2NC(=O)C=C(C(F)(F)F)[C@@H]2C=C1 53006963 XAYIQAIPEIDAEJ-CMPLNLGQSA-N 354.294 3.318 0 1 FGAF Cc1ccc(S(=O)(=O)NC(=O)NC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1 102952231 LDNKPWXUUQRYFH-DIOPXHOYSA-N 366.458 3.044 0 1 FGAF O=C1c2cccnc2CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050797 YDOKIGAEIAQDLH-UHFFFAOYSA-N 368.400 3.085 0 1 FGAF CCCC[C@H](CN(O)C=O)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 66099595 ZLPSXPCAFMHHBZ-HIFRSBDPSA-N 358.479 3.149 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@](O)(Cn1cnnc1)c1ccc(Cl)cc1 26007060 SORUAGPBBWGLNK-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CCNC(=O)Nc1nc2c(-n3cccn3)c(F)c(-c3cccnc3)cc2[nH]1 38318406 BIXFNTORBPCGRA-UHFFFAOYSA-N 365.372 3.091 0 1 FGAF Cc1ccc(C(=O)N2CCC[C@@H]2c2nnn(-c3cccc(Cl)c3)n2)o1 34999332 JEPGUCWIUVNQSV-CQSZACIVSA-N 357.801 3.194 0 1 FGAF CNc1nc(C)c(-c2ccnc(Nc3cccc(CNC(C)=O)c3)n2)s1 38621533 KAYOLUCDHCQCAT-UHFFFAOYSA-N 368.466 3.330 0 1 FGAF COc1cccc([C@H]2c3[nH]c4ccc(C)cc4c3CCN2C(=O)CCN)c1 45336845 CFHJUORMGKOVCS-QFIPXVFZSA-N 363.461 3.308 0 1 FGAF O=C(NCC1CC1)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82217056 OQPBGXGIQWUMDU-UHFFFAOYSA-N 354.429 3.413 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccnnc5)n4)CCC3)cc2)cn1 149724197 NQVVSGXTBPMVCG-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF COc1cc(Nc2nc(N)nc3[nH]c4ccccc4c23)cc(OC)c1OC 96923694 LEMZUALSHMQLSS-UHFFFAOYSA-N 365.393 3.463 0 1 FGAF C[C@H]1CN2C[C@@H]3CC[C@H]4CCC=C4[C@]4(CCC(=O)O)[C@H]2[C@H]1CC[C@]34CO 238769124 QFJIDODJONXZLG-IJNLCNDUSA-N 359.510 3.307 0 1 FGAF C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@@](C)([C@@H]3COC(=O)O3)CC[C@H]12 238750425 BXFOOWNZKVTNCW-GXOPVLEYSA-N 364.482 3.434 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1cccnc1 25427686 KOWJWYRAMHHKAR-UYAOXDASSA-N 365.477 3.276 0 1 FGAF biogenic COc1cccc(COC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccco2)c1 95587169 ZZRPAIYIPRFZAP-KRWDZBQOSA-N 356.378 3.002 0 1 FGAF CC(=O)N1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(OC(C)C)cc43)cc2C1 96272944 BUMVKPFMQPYNEV-NVMNQCDNSA-N 365.433 3.199 0 1 FGAF c1cc(-c2nnc3ccc(-c4ccc(N5CCOCC5)cc4)cn23)ccn1 653763894 YTZTXWPFWRAQPZ-UHFFFAOYSA-N 357.417 3.295 0 1 FGAF CN1[C@H]2CC[C@H]1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586116 HJHDLBALGQICAX-SALMDCRWSA-N 351.402 3.349 0 1 FGAF NC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167619 PAQHLFKTQROXKP-INIZCTEOSA-N 367.384 3.170 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C(=O)OC)noc1C)CC2=O 587483299 LTPQNYUCXKMPGH-IBGZPJMESA-N 359.378 3.308 0 1 FGAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775173 PHVRWZVUQYSJJU-XLKFXECMSA-N 352.207 3.010 0 1 FGAF NS(=O)(=O)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131692 RPFBWGYDOWEEMR-UHFFFAOYSA-N 363.389 3.092 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C1(CN4CCOCC4)CCCCC1)[C@@H](C2)C3=O 587444224 NXHZZUUSDHUPJT-LAUBAEHRSA-N 371.477 3.094 0 1 FGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587794512 VLDBZIKGUBFRHC-AYVTZFPOSA-N 367.218 3.327 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3CCN(CC3)C2)N1 587795545 YEHSATUUTCTLPG-PIGZYNQJSA-N 353.279 3.433 0 1 FGAF Oc1ccc(C2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CCOCC2)cc1 586914077 ZMTXQQJTVLCFAX-UHFFFAOYSA-N 364.327 3.125 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cccc(-c3cccnc3O)c2)N1 962909159 WCARJWNJAGLCPR-RBUKOAKNSA-N 364.376 3.282 0 1 FGAF Cn1c(=O)n(C)c2cc([C@@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)ccc21 963103774 OBDCPSLFYJYQPV-AOMKIAJQSA-N 365.452 3.300 0 1 FGAF COc1cccc(C2=NO[C@@H](COc3ccc4ccc(=O)oc4c3)C2)c1 1772640179 AIJOEGPNFKICRG-QGZVFWFLSA-N 351.358 3.374 0 1 FGAF CSc1ccc2nc(C(F)(F)F)nc(NN3C(=O)C=C(C)C3=O)c2c1 13587560 MGVXOSOWKSCTSQ-UHFFFAOYSA-N 368.340 3.013 0 1 FGAF O[C@@H](Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1 13682909 MWGRSUFXCMYXGU-IBGZPJMESA-N 359.433 3.215 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1 4238050 DIMGLUOKFVOFEE-UHFFFAOYSA-N 354.454 3.209 0 1 FGAF COc1cccc(Cn2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)c1 4238715 RWOVMTVXVROTLZ-UHFFFAOYSA-N 373.416 3.295 0 1 FGAF aggregator C[C@H]1CCC(=O)N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762668 PFDBNPNOCYZVAO-SWLSCSKDSA-N 358.388 3.445 0 1 FGAF CCN(CC)C(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O 1912829 ZHCUIWHRHDWWGD-UHFFFAOYSA-N 352.463 3.234 0 1 FGAF O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1 4354029 FCBIYVMKAMUMGP-UHFFFAOYSA-N 367.455 3.494 0 3 FGAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4902485 VLNKYDCKUWQXOO-YJYMSZOUSA-N 366.417 3.027 0 1 FGAF O=C(O)c1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884291 LRTQINJTMPPHSE-UHFFFAOYSA-N 361.353 3.083 0 1 FGAF CCCCC[C@H](O)/C=C/[C@]1(F)[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 26011695 KMRXCJTVFVNFRC-VTCRGFIFSA-N 372.477 3.135 0 1 FGAF c1ccc(N2CCN(CCCCNC3=Nc4ccccc4OC3)CC2)cc1 26466730 SDBPIIJMVSRHDO-UHFFFAOYSA-N 364.493 3.301 0 1 FGAF CC(=O)O[C@H](CCCCc1ccccc1)C[C@@H](O)C[C@@H]1CC=CC(=O)O1 13341420 HJUKBPHPHULBRA-AQNXPRMDSA-N 360.450 3.344 0 1 FGAF biogenic NCCCCCNc1nc(Nc2ccc(F)cc2)nc(-c2cccnc2)n1 45357570 RODSQBSSCSVAIB-UHFFFAOYSA-N 367.432 3.357 0 1 FGAF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1O 49046577 LGJLFHYLMGCVHP-OAHLLOKOSA-N 372.421 3.208 0 1 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccccc3OC)c2)n1 87612981 IKUGBQLEAHEDQB-UHFFFAOYSA-N 365.437 3.151 0 1 FGAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCC5)n4)c3c2)s1 221739386 XOVBYWVIFNEHJK-UHFFFAOYSA-N 363.450 3.326 0 1 FGAF C[C@@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)cc1 96932396 XXPJDEWLGIAQQO-SECBINFHSA-N 353.205 3.456 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587784493 HWXYRPMKRWLGOW-HZPDHXFCSA-N 363.417 3.208 0 1 FGAF Nc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1CC(=O)O 587250467 UWZGLLPNPHKBMG-UHFFFAOYSA-N 364.174 3.341 0 1 FGAF CC(C)CCOc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br 587247590 UIIWFISFFWLSIL-MRXNPFEDSA-N 368.275 3.325 0 1 FGAF Cc1ccccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCOCC1 587651780 ZLNOMQGMVUZTKT-UHFFFAOYSA-N 370.474 3.383 0 1 FGAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2cccc(F)c12 587636993 RYTNYXIOTGCHAE-UHFFFAOYSA-N 350.349 3.348 0 1 FGAF C[C@@H]1CN(C2CC2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580737 DEUPFAYYNZBYIJ-XMLVGPMBSA-N 351.402 3.207 0 1 FGAF FC(F)(F)c1cc2nc(CC3OCCO3)[nH]c2cc1Br 586908681 PZBFJHRXJFVVFY-UHFFFAOYSA-N 351.122 3.260 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)c[nH]1)O2 587387769 WPANHJGCMCAHPT-CYBMUJFWSA-N 368.174 3.216 0 1 FGAF CN(Cc1ccccc1)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@]12c1c(cnn1C)CCN2C 963954905 MZEHEYPWYONVCP-ANZJIFDASA-N 364.537 3.281 0 1 FGAF COC(=O)c1c(C)[nH]c(C)c1[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618876 FARKMMGNGBKKGG-PRWKNARSSA-N 372.465 3.401 0 1 FGAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(O)cc2)c2cccc(O)c21 13732237 QKVUGRSIFXNRPS-UHFFFAOYSA-N 360.365 3.292 0 1 FGAF CC(C)N(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O 13738798 YAQZLVBSGFGLAC-IBGZPJMESA-N 356.510 3.469 0 1 FGAF CC(C)n1nnnc1[C@@](C)(CCCCC(=O)O)NCc1cccc(F)c1 205857473 VOVVXMDWXRRKMN-GOSISDBHSA-N 363.437 3.043 0 3 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(OCC)cc2)nc2ccccn12 1857606262 HCQBTHKVITYWRI-UHFFFAOYSA-N 366.421 3.125 0 1 FGAF NC(=O)c1cc(F)cc2[nH]c(-c3cc4c(s3)[C@@H](C3CC3)NCC4)nc12 1857652468 OWOZSIHFAFXWTN-CQSZACIVSA-N 356.426 3.126 0 1 FGAF COc1ccccc1N1CCN(C(=S)Nc2cc(C)cc(C)n2)CC1 1857752170 NVXLVOCOMWNXMZ-UHFFFAOYSA-N 356.495 3.226 0 1 FGAF Cc1cc(C)c(Oc2nc(=N)[nH]c(=Nc3c(F)cccc3F)[nH]2)c(C)c1 1857769150 JQKPURXJUHHGAM-UHFFFAOYSA-N 357.364 3.445 0 1 FGAF O=C(CN(Cc1ccccc1)C(=O)c1ccco1)NCc1ccc(F)cc1 1353854 ISRUTWVVLRWTHC-UHFFFAOYSA-N 366.392 3.378 0 3 FGAF C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 3964547 JOKLLFKJXMPKTA-ZDUSSCGKSA-N 350.372 3.437 0 1 FGAF O=C(O)C[C@@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(O)c1 28648167 FCUCMIIVLCLREX-RDJZCZTQSA-N 368.433 3.345 0 1 FGAF O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC(F)(F)F)CCO3 28953759 OLZPPPLUKQGVKJ-UHFFFAOYSA-N 352.234 3.308 0 1 FGAF CCCCC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@H](O)CCCC(=O)O 2356759236 UXVRTOKOJOMENI-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF COc1ccc2c(c1OC)CN1CCc3cc4c(c(OC)c3[C@H]1C2)OCO4 2356856701 SCUIVTMUXYHVDX-OAHLLOKOSA-N 369.417 3.097 0 1 FGAF COc1cc(=O)oc2ccc(CN3CCN(c4ccc(C)cc4)CC3)cc12 40828411 MVYQHOUQVXVOPN-UHFFFAOYSA-N 364.445 3.432 0 1 FGAF c1cncc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)c1 96176070 MJJWNTVBXQKYEH-UHFFFAOYSA-N 372.428 3.447 0 1 FGAF C[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)cc1 96932395 XXPJDEWLGIAQQO-VIFPVBQESA-N 353.205 3.456 0 1 FGAF O=C(CNC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCCc2ccccc21 149171865 HJPHLOJFTJJAGL-OAQYLSRUSA-N 362.473 3.489 0 1 FGAF CC(=O)N(CC1CCC1)C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1 95895761 ROUZYGJQEJQROM-VABKMULXSA-N 368.521 3.319 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(=O)O)ccc2[nH]1 587037985 BPUONLXSVBGAQM-UHFFFAOYSA-N 361.383 3.127 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccccc2)N1 587829898 YTBLDQLOBMEBIH-APPDUMDISA-N 350.231 3.358 0 1 FGAF CC[C@]1(Cn2cncn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756390 DHXLPFRNDIINSG-ZUZCIYMTSA-N 353.239 3.019 0 1 FGAF CC[C@H]1OCCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907515 AYRGKDZNVXDBFW-ZIAGYGMSSA-N 353.426 3.295 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424792 VDKNQLNOOPSOCL-XOBRGWDASA-N 374.339 3.481 0 1 FGAF Cn1cc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516254 BIAUPLKLKCQAEM-HXUWFJFHSA-N 354.406 3.024 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)C2(C)C)N1 587826351 KNDAPVXFBAYZSZ-DOZZXWOPSA-N 356.235 3.448 0 1 FGAF O=C(O)c1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccn1 587659878 HPWZBSFUWVNVNP-UHFFFAOYSA-N 361.332 3.285 0 1 FGAF COC(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516447 XNFWXIQCIJZANL-NRFANRHFSA-N 351.402 3.384 0 1 FGAF N=c1[nH]cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc-2[nH]1 587149050 FWTYOYNYUTZBNM-OAHLLOKOSA-N 353.332 3.164 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cc(C2CC2)nn1C 961329842 ZTSOQQFGESONES-OAQYLSRUSA-N 355.482 3.290 0 1 FGAF CCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC 13644320 LHITVBUSTSCLED-UHFFFAOYSA-N 354.498 3.031 0 1 FGAF O=C(c1ccc(F)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832040 JYBCTNZEOLJGAZ-UHFFFAOYSA-N 352.409 3.410 0 1 FGAF Cc1cc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C 13975958 FCBSUZOSPAIZHX-HXUWFJFHSA-N 373.412 3.442 0 1 FGAF C=C1C(=O)C2=C[C@H]1C[C@H](O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2OC(C)=O 15116720 BPMWBOSKRGOILK-ULTNTHHESA-N 374.477 3.156 0 1 FGAF biogenic COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2N(C)C)c1 206734704 VPSDUOCIMKDJFS-UHFFFAOYSA-N 365.437 3.473 0 1 FGAF Cc1ccc2c(c1)N(CCCC(=O)N(C)Cc1ccccc1F)C(=O)CO2 203474507 ULXLACTVPQINIB-UHFFFAOYSA-N 370.424 3.298 0 3 FGAF Nc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O 3814220 PZJNCGONKIPEIG-UHFFFAOYSA-N 363.461 3.167 0 1 FGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4049422 LGUXNDBLJVKJLI-IEBWSBKVSA-N 371.506 3.298 0 1 FGAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114346456 ODIBHBBABRKJIO-INIZCTEOSA-N 369.856 3.097 0 1 FGAF COCCOc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1Cl 27518760 KNLJFMVKISMQFC-HSZRJFAPSA-N 371.871 3.006 0 1 FGAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1 34819354 ULZRRGUANDXXBI-UHFFFAOYSA-N 354.450 3.308 0 1 FGAF C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2CC(C)=C2CC[C@@H](OC(C)=O)[C@]21C 15115616 GYQAWBREILWDHZ-PLQGUWCTSA-N 374.433 3.024 0 1 FGAF biogenic C[C@]1(NC(=O)CCc2ccccc2)CCN(CCCc2ccccc2)C1=O 36389158 JXNAISREMCUIPH-QHCPKHFHSA-N 364.489 3.359 0 3 FGAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3cccc(OC)c3)c2)n1 89469298 PIHYDBWHEIVIRK-UHFFFAOYSA-N 365.437 3.151 0 1 FGAF CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 43078046 QECSLNSAYMSPEK-CYBMUJFWSA-N 351.809 3.321 0 1 FGAF in-vitro CC(C)CNc1ncnc2c1nc(C(C)C)n2CCCN1CCCC1=O 82178137 KTOKJMGETRNMCX-UHFFFAOYSA-N 358.490 3.030 0 1 FGAF CCCCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82070082 LHXATMLOPUZNDW-MRXNPFEDSA-N 359.495 3.481 0 1 FGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)COc2ccccc2)n1 142146038 FNKCBAVDKFWXMO-GOEBONIOSA-N 356.426 3.337 0 1 FGAF Cc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@H](C)CNC4=O)no1 147851992 ILBNQHVPJAPVOQ-PWSUYJOCSA-N 352.394 3.131 0 1 FGAF CO[C@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(CC[C@H]2COC(=O)C2)[C@@H]1C 238768636 SCUXVSVJZSSYMR-MPESTPMTSA-N 362.466 3.270 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2nc3cccc(C)c3[nH]2)cc(-n2nc(C)nc2C)n1 143005135 PYWIEKFTRDCAEO-HUUCEWRRSA-N 359.437 3.438 0 1 FGAF COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1 95584380 YIYCMRYEOUXQND-UHFFFAOYSA-N 359.389 3.385 0 1 FGAF COC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1 299865906 OHNLONIUYBNNFP-UHFFFAOYSA-N 371.343 3.415 0 1 FGAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473099547 GEGIAVRPQXRUNF-GFCCVEGCSA-N 370.359 3.357 0 1 FGAF COc1cc(C(=O)c2noc(-c3ccc(F)cc3)n2)cc(OC)c1OC 653774471 DABMYMOBURVHNO-UHFFFAOYSA-N 358.325 3.133 0 1 FGAF COc1cc(-c2nc3cccc(OC)c3[nH]2)ccc1OCC(=O)NC(C)C 587220274 FZAOZMNULQYNNU-UHFFFAOYSA-N 369.421 3.151 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(C(N)=O)cc3[nH]2)cs1 587020506 UFLJTKXYGYBLKJ-UHFFFAOYSA-N 373.438 3.056 0 1 FGAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587399150 ISMVIMITXOBRKQ-FQEVSTJZSA-N 357.406 3.484 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426735 PMVMMGAWRKMGOV-VFNWGFHPSA-N 370.376 3.349 0 1 FGAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587118591 RVHWNAUTFYKGSZ-UHFFFAOYSA-N 361.121 3.450 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@H](CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587451839 RRCAGDFDKYFAJZ-PKQAIAMASA-N 350.370 3.300 0 1 FGAF O=C1CSc2ccc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 587043814 NNJXGSCGFBDUCT-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF CCOCOc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963030381 NMWOSPBFNKDDJC-BTYIYWSLSA-N 352.434 3.202 0 1 FGAF O=C(O)C1=CN2CCc3cccc(c32)[C@@]12NCCc1cc(Cl)ccc12 963390332 HOQXZZDANWBJCV-HXUWFJFHSA-N 352.821 3.074 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1cccn(C(F)F)c1=O)N(C)[C@@H](C)C2 962633302 VDAODCZJAZCDOO-MEDUHNTESA-N 364.392 3.226 0 1 FGAF C[C@@H](c1ccc(-c2ccc(C(=O)O)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948225 IONZTRAOXGPUKF-AGRHKRQWSA-N 370.424 3.053 0 1 FGAF O=C(NCc1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205227283 WJYQEMKGUJAKOY-CJNGLKHVSA-N 373.815 3.424 0 3 FGAF CC[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(C)n1 207736939 BHZYUKRLIPVVFT-OAHLLOKOSA-N 356.426 3.320 0 1 FGAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(Cl)cc1)C(=O)O 13758129 ISBUGRLVEGVIRZ-QGZVFWFLSA-N 374.886 3.467 0 1 FGAF O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 3956396 VIANZNCXPSQFEG-OAQYLSRUSA-N 364.449 3.242 0 1 FGAF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049484 OHBLQSBEZLPOMK-CTNGQTDRSA-N 360.413 3.040 0 1 FGAF COC(=O)[C@@H]1[C@H](OC(=O)c2cccc3ccccc23)C[C@H]2CC[C@H]1N2C 100803215 WBVZUODNCPVLSS-AXUOBQJMSA-N 353.418 3.021 0 1 FGAF CNC(=O)[C@@H](CCSC)NCc1ccc(OCc2ccccc2)cc1 27652888 MHVRVEXZLYBNDK-LJQANCHMSA-N 358.507 3.223 0 1 FGAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)NCN2CCCC[C@H]21)C(C)C 28265172 ZURWTJLUKIDQPW-RBBKRZOGSA-N 357.542 3.375 0 1 FGAF Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F 114029082 AENATPIHQUMFQT-UHFFFAOYSA-N 360.357 3.370 0 1 FGAF COc1cccc(CN2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@@H]3C2)c1 2356461626 OAHZTBSDYBNMKS-FQEVSTJZSA-N 365.477 3.126 0 1 FGAF C[C@H](CCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356628922 LCCMRNZRAPDWCS-ZQOJQMTGSA-N 360.491 3.234 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2OC(C)=O 2356735940 RIAASXVFZZPXSS-JDCXVWCVSA-N 354.450 3.185 0 1 FGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1cccnc1 27864188 VFDFPKABMJTNBA-SFHVURJKSA-N 353.422 3.345 0 1 FGAF Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@H]1CCCN2CCCC[C@H]12 35090988 KZUBCHUSOMKNKH-SJLPKXTDSA-N 366.527 3.318 0 1 FGAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1I 72106708 WBMPZVQIRAQADN-MWLCHTKSSA-N 372.202 3.391 0 1 FGAF O=C(O)c1cccc(Nc2ncc(F)c(Nc3ccccc3C(=O)O)n2)c1 89469960 ZMDAPBTWJIUZLR-UHFFFAOYSA-N 368.324 3.499 0 1 FGAF CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]2ON1c1ccccc1 136262990 HUDWMABWHZFEIK-YTQUADARSA-N 366.417 3.174 0 1 FGAF COCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82133929 OIJRHFPZSIFZRP-HZPDHXFCSA-N 368.481 3.002 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(O)c31)[C@H]1CC[C@@H](C2)N1 96175309 FCUJWWNPRKGBPB-BLLLJJGKSA-N 368.458 3.066 0 1 FGAF Cc1ccc(F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565545 VRFDWWFHMAXFSH-UHFFFAOYSA-N 364.779 3.302 0 1 FGAF CNC(=O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299837301 OIIBDWSEYRMACX-SECBINFHSA-N 360.635 3.353 0 1 FGAF Cc1ccc(CNC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388200 XWRBDIZKOOBZJK-NRFANRHFSA-N 352.434 3.316 0 1 FGAF COC(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1OC 587088544 OIIHFQCLCZDHQU-VIFPVBQESA-N 351.353 3.108 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCN(C)C)cc1)O2 587388104 WHQBPWRWEWSGIJ-OAQYLSRUSA-N 354.450 3.398 0 1 FGAF Sc1nc(S)c2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 587006605 JEKBLFBBHHWDGN-UHFFFAOYSA-N 374.676 3.408 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587226183 WLLAKEGMDHNYKV-UHFFFAOYSA-N 367.405 3.366 0 1 FGAF C[C@@]1(CCn2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343213 SCZXFYWCSCBMRZ-ICSRJNTNSA-N 367.380 3.331 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CSC1=NNC2=NCCCN21 963237717 ZCOMFPGIRKEVPG-QRWLVFNGSA-N 371.554 3.228 0 1 FGAF Cc1scnc1[C@@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628982 GKLHUOXIWODWHQ-WCQYABFASA-N 358.341 3.038 0 1 FGAF COC(=O)C[C@@H]1CC[C@]2(NCCc3cc4cccc(OC)c4nc32)[C@@H]1C 963066989 MJNWEALRYQYWSG-YPENRWOSSA-N 354.450 3.194 0 1 FGAF Cn1ncc2c(N[C@H]3CCCC[C@H]3O)nc(Nc3ccc(F)c(F)c3)nc21 1772621916 FAEFJAXVWIDYCQ-LSDHHAIUSA-N 374.395 3.101 0 1 FGAF O=C1CN(Cc2ccccc2)c2nc(NCCc3ccccc3)ncc2N1 1772570428 IBMYCIAUPPWUOJ-UHFFFAOYSA-N 359.433 3.090 0 1 FGAF C(=C/c1cc2cc(C3=NCCN3)ccc2o1)\c1ccc(C2=NCCN2)cc1 3630703 JTSGSXZARCBENN-XVNBXDOJSA-N 356.429 3.303 0 1 FGAF O=C(c1ccccc1Cl)N1CCN(CCCOCC2CCC2)CC1 1857599079 JFVGNUMQELSTQN-UHFFFAOYSA-N 350.890 3.305 0 1 FGAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1cccc3ccccc13)CC2 1857764367 DECZMZXXYMOZHG-UHFFFAOYSA-N 361.493 3.235 0 1 FGAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)c1 100105107 OOOJVJIVPJPXDC-KOUNCHBCSA-N 362.473 3.429 0 1 FGAF Cc1c(N2C(=O)CC[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F 115765594 GLGCTWNFYQFEIR-MFKMUULPSA-N 366.261 3.304 0 1 FGAF Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCCC2)cc1 62224962 GCQNSCMXSPQKFM-LJQANCHMSA-N 351.429 3.436 0 1 FGAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]3CCCCN32)CCC1 2356655499 HTZABNNPQGCYSI-RTOMLYRKSA-N 357.542 3.240 0 1 FGAF CC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356817426 DKVJQJWFKYGCJI-IBGZPJMESA-N 355.438 3.213 0 1 FGAF CC(=O)O[C@H](CCCCc1ccccc1)C[C@H](O)C[C@@H]1CC=CC(=O)O1 13341415 HJUKBPHPHULBRA-ZCNNSNEGSA-N 360.450 3.344 0 1 FGAF biogenic NC(=O)c1cccc([C@](O)(c2cccnc2)c2ccc(Cl)cc2F)c1 72100858 CLUBDPXPDURZBY-IBGZPJMESA-N 356.784 3.257 0 1 FGAF C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2OC)CO3)O1 14825564 HRRLYEDDDAJRSW-LSDHHAIUSA-N 368.385 3.345 0 1 FGAF biogenic c1cc(CCN2CCOCC2)cc(Nc2nccc(-c3cccnc3)n2)c1 42190872 GGAABWALMSQBLW-UHFFFAOYSA-N 361.449 3.157 0 1 FGAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 225077889 AWEVTXRSEHXXIP-DVOMOZLQSA-N 353.422 3.084 0 1 FGAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C(=O)O)[C@@]12C 238735292 XYVWVOQDJAKFEB-UFUCZMFISA-N 362.422 3.317 0 1 FGAF C[C@]1(c2cccc(OCC(=O)Nc3cccc(O)c3)c2)CCSC(N)=N1 96174293 JWPVAHGVVQVNCV-LJQANCHMSA-N 371.462 3.077 0 1 FGAF CC1(C)CC(=O)N(c2ccc(NC(=O)c3ncccc3N)cc2Cl)C1 653845080 JQAIPFMSOMFXNR-UHFFFAOYSA-N 358.829 3.332 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586920165 FPZBNJFCVWZJLC-UHFFFAOYSA-N 359.451 3.238 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587784250 GLYMSMNJASCFOA-QWRGUYRKSA-N 373.210 3.011 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nn1C 587862963 NHSXBTAXESCGKE-UHFFFAOYSA-N 364.327 3.308 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)O)cc1 587873342 XLPAFSDXWMOFMD-UHFFFAOYSA-N 362.382 3.324 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(C)cc41)[C@@H](C2)C3=O 587454538 UGVLUYBIEQIOOD-LHSJRXKWSA-N 364.353 3.007 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CO)c1 587606719 FLYBSLGBOAZBBC-RXVVDRJESA-N 364.353 3.293 0 1 FGAF COC(=O)C1=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587812393 YYDBZUZVTLMGNM-FVMDXXJSSA-N 354.219 3.211 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(CCC(F)(F)F)CC1)[C@@H](C2)C3=O 587422813 UWGRGZHCJKUQBK-ZDUSSCGKSA-N 355.356 3.230 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(N)=O)cc2)N1 587749301 NLJICLAULQJXEM-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF O=C(C1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661217 UUBGGRVPHYVJBG-UHFFFAOYSA-N 352.365 3.269 0 1 FGAF Cc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2n1 586969591 NKHMWLWFDSYKDJ-UHFFFAOYSA-N 367.390 3.337 0 1 FGAF Cc1c(NC(N)=O)cccc1-c1nc2c(F)cnc(Br)c2[nH]1 587239689 NJMAXTQDURRDBW-UHFFFAOYSA-N 364.178 3.326 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253381 KBETVMJQULLXEK-UHFFFAOYSA-N 366.446 3.216 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@H]32)[C@H]1c1ccc(F)cc1 587343637 CWBHLAOLDOKFIL-ZJOUEHCJSA-N 353.393 3.497 0 1 FGAF CC[C@]1(c2c(F)cc(F)cc2F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963474513 VILQHDTYDCUXBF-LIRRHRJNSA-N 365.351 3.370 0 1 FGAF Nc1ncc(Cn2cc(-c3cccc(Cl)c3)c3cccnc32)c(N)n1 1772611201 JNDLJBSAROCWLZ-UHFFFAOYSA-N 350.813 3.359 0 1 FGAF Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1 11840336 BYIUTBBPZFVDJL-QGZVFWFLSA-N 363.465 3.338 0 3 FGAF COc1ncccc1C(=O)N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 12711160 YLLBJZGYHDHUHM-LBPRGKRZSA-N 360.360 3.104 0 3 FGAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2cccc(OC)c2)c1)C(=O)O 13525356 WCUNHWIFTCFEPT-MRXNPFEDSA-N 371.433 3.287 0 1 FGAF COc1cc(/N=c2\c(O)c(O)\c2=N/[C@H](C)C(C)(C)C)c2ncccc2c1 13806351 ZZCHZXYLQGGLLY-NSMYJGNTSA-N 353.422 3.098 0 1 FGAF O=C(OCC1CC1)c1ncn2c1[C@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13831875 CWGVFIKKGAXEFA-OAHLLOKOSA-N 371.824 3.383 0 1 FGAF CCCCOc1ccc(CNc2nc3nc4c(c(O)n3n2)CCC4)cc1 15669040 ITRHKMVMRABYME-UHFFFAOYSA-N 353.426 3.110 0 1 FGAF C[C@@H]1C[C@H]([C@@H]2C[C@@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H](O)[C@H](C)C1 17260329 GZWODCBDYVQTID-KOZSZOBCSA-N 365.514 3.190 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)OC 169692166 WNBMQMMGBBWUOZ-MSFLAYIOSA-N 366.498 3.340 0 1 FGAF COc1cc(/C=C2\C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC 1857552602 VIEPPENHRPHOFP-CHHVJCJISA-N 368.389 3.164 0 1 FGAF O=C1c2ccccc2[C@@](O)(C(F)(F)F)c2cccc(C3=CCNCC3)c21 1857547473 JKAMVVQLQDBZLM-IBGZPJMESA-N 359.347 3.406 0 1 FGAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)N1 1857583037 TUOADMCUCYIXFI-GOSISDBHSA-N 353.447 3.249 0 1 FGAF COc1cccc(-c2nc(C(=O)NCCc3ccccc3)c(C)o2)c1O 1857634906 MDKMSZUTNDZRQG-UHFFFAOYSA-N 352.390 3.337 0 1 FGAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1F 4614589 CCSMAGQESJJQCT-BCWBERDBSA-N 356.191 3.274 0 1 FGAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289025 OJMOXBLFTBFMEQ-IPJJNNNSSA-N 372.509 3.042 0 1 FGAF COc1ccc(C(=O)[C@H](NNc2ccc(F)cc2)C(=O)C(F)(F)F)cc1 103180440 BTLFMMXAJWURPY-AWEZNQCLSA-N 370.302 3.134 0 1 FGAF COc1ccc(-c2noc(CC(=O)N[C@H]3CCCc4ccccc43)n2)cc1 20516001 CAUBFNCLTKPLSU-SFHVURJKSA-N 363.417 3.482 0 1 FGAF O=C(O)c1cc(CN2CCc3c(Cl)cccc3C2)c2ccccn2c1=O 66097806 ZDHPEGSENZRJGA-UHFFFAOYSA-N 368.820 3.209 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@@H]2[C@H]1O 2356531813 MZQAWNWYBXNFSG-JRXWQFQHSA-N 362.466 3.313 0 1 FGAF O=C(O)CCCCC=CC[C@@H](O)CCC=CC=C[C@@H](O)CCCC(=O)O 2356733844 BCZGHMCTSJAJRR-QZTJIDSGSA-N 368.470 3.447 0 1 FGAF CO[C@]1(C)CC[C@H](O)[C@@]2(C)CCC3=C(C)C(=O)O[C@H]3C=C(C)CC[C@H]1O2 2356795900 MPOJJBAWHONZTN-FSAOVCISSA-N 364.482 3.452 0 1 FGAF S=C(N1CCN(c2ccccc2)CC1)N1CCC(c2ccccc2)=N1 35906550 GGPQVBKJPJNVDC-UHFFFAOYSA-N 350.491 3.204 0 1 FGAF O=C(NC[C@H]1CCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911576826 QIJHQFDCIITVAM-LLVKDONJSA-N 357.360 3.274 0 1 FGAF CCOC(=O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1cc(O)ccc1O 49803374 DDKNAVPJIFCLLJ-XCVCLJGOSA-N 366.373 3.232 0 1 FGAF CC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1 45287514 QJAZWUKISNKCCS-UHFFFAOYSA-N 359.499 3.104 0 1 FGAF COc1cc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2cc1O 40917344 POVNRFORQPMQPM-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF NCCCCCCC(=O)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 84690577 MKFVVUBNSTXUMS-UHFFFAOYSA-N 364.449 3.064 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1C(=O)NC(=O)[C@H]1C/C=C\C[C@H](C)CC(=O)O 238760091 QKFPKSFDJQKEKM-GVVOSDJISA-N 367.486 3.044 0 1 FGAF COC(=O)C[C@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401446 YFGKVXYGDSGMKW-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(C)=O)cc2[nH]1)C(C)C 586932709 IVHOYYPFPYSXJO-INIZCTEOSA-N 351.472 3.182 0 1 FGAF COc1cc2c3c(c1)OC1(CC(CNC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587431978 IWQWGSUTEAMEJA-QINJFGQTSA-N 359.422 3.116 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)o1 586930863 IRTQLKMSLZZQFC-UHFFFAOYSA-N 359.329 3.092 0 1 FGAF O=C1C[C@@](c2ccc(Cl)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587497343 AHVRPWFZKXBEEB-HXUWFJFHSA-N 358.821 3.390 0 1 FGAF CCOC(=O)Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587777371 JQHBOSQFEQHVBF-UHFFFAOYSA-N 371.368 3.338 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(Cl)c[nH]c-3n2)s1 587022964 GRLJKJQYOSXRJU-UHFFFAOYSA-N 352.807 3.428 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CO)n2)N1 587767886 BQPYAWCBUDRUDB-JDNHERCYSA-N 351.219 3.099 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H](C)Cc3ccc(OC)c(OC)c3)nc12 587927015 QQPDSTMPZKQXLR-NSHDSACASA-N 355.394 3.108 0 1 FGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(N)=O)cc2[nH]1 587201174 IUEBUBALSPLTIX-UHFFFAOYSA-N 360.458 3.243 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)c(F)c2[nH]1 587256937 WFQDBUBBSURUHT-SECBINFHSA-N 372.238 3.066 0 1 FGAF CCC1N2CC3(C)CN1CC(C)(C2)C31c2ccc(F)cc2C[C@H]2CCCN21 963106966 OLZNNMVLAIVCMH-ISYDVOLZSA-N 369.528 3.435 0 1 FGAF Cn1cccc1CN1CCc2sccc2[C@]12CCC(F)(F)C[C@@H]2N 962401175 VYRHAFPPUWUCRO-WMZOPIPTSA-N 351.466 3.487 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2ccc([N+](=O)[O-])cc2)COC1(C)C 219707106 KRNKUUFUXBBREF-CYBMUJFWSA-N 352.387 3.346 0 1 FGAF biogenic CCn1ccnc1CN(C)C(=O)CCc1nnc(CCC2CCCCC2)o1 11663514 NBNCWNMJGPJHTE-UHFFFAOYSA-N 373.501 3.390 0 3 FGAF COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1C 11998401 FSTKASPXOBKJOU-INIZCTEOSA-N 369.465 3.089 0 3 FGAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(F)cc3)ccc12 13677012 ITEKVMUWCOBBHZ-UHFFFAOYSA-N 355.365 3.348 0 1 FGAF CC(=O)N1C(=O)NC(=O)C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 169314998 WMZXQGMQIRKWED-UHFFFAOYSA-N 363.200 3.335 0 1 FGAF O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2c2ccccc2)[C@]12CO2 169370805 UOJNGNCLTBEZAO-MCYUEQNJSA-N 352.171 3.077 0 1 FGAF Cc1nc(NCc2cc(C)on2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 205803423 XGWSTNMIYQJSDN-ZBFHGGJFSA-N 351.410 3.271 0 1 FGAF Cc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1 2356300012 SDLCJZXFYUYDFU-LPHOPBHVSA-N 354.429 3.016 0 1 FGAF C[C@H](O)CCCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356340773 XZKUIIFETKOPRD-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF COCCOc1cc(Cl)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1 115889399 LWSIWBKRYSUFNC-PLNGDYQASA-N 365.817 3.046 0 1 FGAF CNC(=N)N1C=CC[C@]23[C@@H]4CC[C@@](C)(CC[C@@H]12)[C@]31CCC(C(=O)O)=C1C4 103525019 IKXSZLFDAMZVFG-JAYNPZNESA-N 355.482 3.490 0 1 FGAF biogenic,in-vitro CNC(=O)c1ccc2c(c1)C[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100621051 CWNVQGQWLLHSNN-FPOVZHCZSA-N 373.456 3.249 0 1 FGAF Cc1ccc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(=O)O)cc1 61945313 AFSIDJHHSTWJRO-HNNXBMFYSA-N 351.324 3.440 0 3 FGAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccco4)nc23)C1=O 28825876 GDOXWWFJGXVEJD-UHFFFAOYSA-N 374.400 3.134 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C2=C(C[C@@H]3CCC[C@H](C(=O)O)[C@@]31C)OC(=O)[C@H]2C 2356753857 LTLYQGXUQKXVEU-WZZGPEQGSA-N 362.422 3.222 0 1 FGAF CCCCN(C(=O)CC)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356834551 KCKSNOMISPCNHX-FQEVSTJZSA-N 353.466 3.478 0 1 FGAF CCCCN(C=O)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356852298 QOXWAQKWJLGXBF-HXUWFJFHSA-N 354.450 3.311 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)OC 33938998 WNBMQMMGBBWUOZ-NTQKUQNGSA-N 366.498 3.340 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NCCO)(C1CCCCC1)C(=O)N2 219271035 OESUQVRXTFVGDA-OAQYLSRUSA-N 369.465 3.268 0 1 FGAF CCCCN1CC[C@H](C)Oc2cc(Br)ccc2S1(=O)=O 96019169 OPLOPUWBXNMTOP-NSHDSACASA-N 362.289 3.411 0 3 FGAF CC(C)[C@H](C(=O)NCc1ccccc1)N1CCN(c2ccccc2F)CC1 95599771 FGTXPCKDGGSMCY-OAQYLSRUSA-N 369.484 3.289 0 3 FGAF Cc1[nH]c(/C=C2\C(=O)Nc3ncc(Cl)cc32)c(C)c1C(=O)NC1CC1 473248748 QHBWJEWMZFDBKC-MLPAPPSSSA-N 356.813 3.065 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)nc(Cl)c2[nH]1 587225105 NKCNAIZVXHJXAQ-VIFPVBQESA-N 365.220 3.348 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccncn1)CC2=O 587492827 XSRWAHRMQDFHOL-OAQYLSRUSA-N 361.401 3.439 0 1 FGAF O=C1c2ccoc2CC[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 586909223 WTWCDRPTTRWWLL-ZETCQYMHSA-N 364.174 3.440 0 1 FGAF CCCc1nc(-c2nc3nc(Cl)c[nH]c-3n2)nn1-c1ccccc1F 587155863 INKNKVHFOAVPKV-UHFFFAOYSA-N 357.780 3.297 0 1 FGAF CC(C)N1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580055 BDNVRGRCQLEJDV-FIKMYACPSA-N 353.418 3.453 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(Br)nc13)O2 587374398 XOYXWQJTSKVDLM-LBPRGKRZSA-N 373.210 3.318 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cncn2)(C2CC2)N1 587758272 IGYHXUZFRNPGJJ-QLJPJBMISA-N 365.250 3.019 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587201956 DMIINZUVUWTMRV-LBPRGKRZSA-N 374.784 3.054 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587025676 MLMYYQIOFZYTJT-UHFFFAOYSA-N 367.521 3.308 0 1 FGAF O=C(O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587944392 BJPFGLPDRUTJEK-OAHLLOKOSA-N 359.353 3.481 0 1 FGAF CC(=O)Nc1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(C)=O)c1 587650437 LHOXGBUUDWBWKQ-UHFFFAOYSA-N 370.430 3.399 0 1 FGAF Cc1c(F)ccc2c1[C@@H](c1cnn3cc(Br)cnc13)NCC2 962295260 CZFNQAWJCMBVRO-OAHLLOKOSA-N 361.218 3.174 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@](COCC(F)F)(c3ccccc3)c3cccc1c32 963020285 FFFGGGMYWYWXFW-SZNDQCEHSA-N 372.415 3.265 0 1 FGAF CCCCN1CC[C@H]2C=CC[C@@H](C(=O)NCCc3ccccc3)[C@H]2C1=O 12478309 QUTFIDYKUNWPDG-AQNXPRMDSA-N 354.494 3.186 0 3 FGAF COc1ccccc1N1CCN(CC[C@H]2CCc3occc3C2=O)CC1 13471708 ISMVUGWKBNSWMT-MRXNPFEDSA-N 354.450 3.246 0 1 FGAF COc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2 14436000 XVWADHIDSZCAFC-LBPRGKRZSA-N 362.378 3.199 0 1 FGAF endogenous,in-man COC(=O)c1cccc2c1Nc1c(cc(OC)c(N(C)C)c1C(=O)OC)O2 14683909 PAYFVFBGKVHIOZ-UHFFFAOYSA-N 372.377 3.184 0 1 FGAF biogenic,in-vitro COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccccc1)[C@@H](O)C2=O 14762732 UQWHUIAIZPLDDZ-RBUKOAKNSA-N 370.401 3.292 0 1 FGAF biogenic,in-vitro CCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 1857559405 CAQOJLFJCCOPDB-UHFFFAOYSA-N 350.528 3.134 0 1 FGAF CCCN(C/C=C/I)[C@H]1COc2c(O)cccc2C1 13739890 ONVPKPUWGYFERX-WXJAXGNASA-N 373.234 3.356 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356371630 NCTRVSNQAKOTOR-AGURSJMDSA-N 353.466 3.124 0 1 FGAF Cc1ccc(-c2[nH]c3ccccc3c2C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1 103300858 AJMRXXZQYLHBBR-PMACEKPBSA-N 373.456 3.175 0 1 FGAF COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102476879 KLKICFUWTXWYDA-CQSZACIVSA-N 358.785 3.390 0 1 FGAF aggregator CC1=Nc2nc(-c3cccc(C)c3)nn2[C@@H](c2cccs2)[C@@H]1C(N)=O 56913739 KJOBGLWATYZABS-CABCVRRESA-N 351.435 3.112 0 1 FGAF O=C(O)CCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c2c1C(=O)CCC2 58575896 MMGOTJIEBBQFCL-RAXLEYEMSA-N 350.374 3.044 0 1 FGAF COC(=O)n1c2cc(Cl)ccc2c2oc(C(=O)N3CCOCC3)cc21 26386209 HYQDAVJVXCOBMH-UHFFFAOYSA-N 362.769 3.128 0 1 FGAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@@H](CC4)[C@H](C(=O)O)C[C@]54C(=O)[C@@]12CC[C@@]34C 2356647785 VZUWYTVCXIXPRR-BAWYLVAKSA-N 355.478 3.267 0 1 FGAF CCNC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34801342 YJLVMNYHBPCQKV-NMLNKKDVSA-N 358.526 3.378 0 1 FGAF CCn1c(-c2ccccc2)cs/c1=N/c1ccc(S(N)(=O)=O)cc1 1911574692 QIRWYGMZHBHEBY-HTXNQAPBSA-N 359.476 3.116 0 1 FGAF OC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1 139097469 FIFPJHZEOCRFPJ-MRXNPFEDSA-N 363.421 3.369 0 1 FGAF CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3ccc(C)nc3)cc2n1 45257062 KJDNVMISTFWXEK-UHFFFAOYSA-N 373.420 3.303 0 1 FGAF CC(C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40935424 CCWMVANLNDJTSE-IUODEOHRSA-N 366.849 3.089 0 1 FGAF COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1OC)c1ccccc1OC 138029656 WGZKMINRLLRJPF-HTXNQAPBSA-N 366.369 3.194 0 1 FGAF O=C(/N=c1\cc[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1 45324119 MZWJEJCKZOAMAO-UHFFFAOYSA-N 360.461 3.443 0 1 FGAF COCOCc1cc(OC)c(OC)cc1-c1cc2ccccc2c(=O)[nH]1 40875395 LHHZIKYSCPCUCZ-UHFFFAOYSA-N 355.390 3.333 0 1 FGAF C/C=C1/CN2C[C@H]3c4c([nH]c5ccc(OC)cc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC 238759768 FXRTWGGDNHIYAH-MUZJQLGVSA-N 352.434 3.386 0 1 FGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21 143908325 YXIVCZGIYADXQC-LLVKDONJSA-N 364.858 3.144 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(C)cc1 587216588 GEMIPSNVNFMFLI-MRXNPFEDSA-N 365.433 3.453 0 1 FGAF O=C1Nc2ccccc2O[C@H]1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876696 WCVFBWVVRHXYNR-INIZCTEOSA-N 365.320 3.225 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587230561 HXVMKXWSARHPKV-UWVGGRQHSA-N 371.268 3.301 0 1 FGAF COc1cccc(CCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587931990 SJBDERBQWYQDPX-UHFFFAOYSA-N 350.466 3.109 0 1 FGAF COc1cccc(-c2cc([C@@H](O)[C@H](O)CO)nc3c2oc2ccccc23)c1 587366703 PVEXVBKKFVMBOC-YLJYHZDGSA-N 365.385 3.043 0 1 FGAF Cc1c(Br)ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c12 587256897 UCUDEYQYRTYBDH-LLVKDONJSA-N 368.275 3.235 0 1 FGAF Nc1ncc(Cl)nc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587086419 JPEOTDGFGBMHMI-UHFFFAOYSA-N 360.549 3.296 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn3ncccc23)N1 587798876 XFVSDPJUITXAMV-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF CC(C)(C)Oc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(N)cc1F 587135785 DRQMLMBZQGMKDZ-UHFFFAOYSA-N 365.459 3.496 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ncc1F)[C@@H](C2)C3=O 587429381 UVHFDPAOGLXCSQ-MGPLVRAMSA-N 364.170 3.481 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3ccc(=O)oc3c1)O2 587409594 RTQFAQIGAGYLEF-OAQYLSRUSA-N 365.385 3.487 0 1 FGAF COC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12NCCc1c(Cl)cc(Cl)cc12 963123094 PFNCIUIFSOCMTP-GOGLXCQPSA-N 356.249 3.123 0 1 FGAF COc1ccc2occ([C@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963512655 XWRFXPBQIXFWCO-KKSFZXQISA-N 367.401 3.318 0 1 FGAF O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1c(F)cccc1F 16052859 BDRDBXXWQDFXEC-UHFFFAOYSA-N 360.295 3.332 0 1 FGAF in-vivo OCCOc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 19740953 FRUPTKNZSOGSDX-QFIPXVFZSA-N 366.505 3.080 0 1 FGAF CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccncc1 1857569892 WUORAVHFKMVKFU-FQEVSTJZSA-N 361.445 3.306 0 1 FGAF C[C@H]1CNC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857753586 RSGGBJVXPLVEJD-WFASDCNBSA-N 373.403 3.095 0 1 FGAF C[C@H](NC(=O)c1ccccn1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356302331 RTUYMXZXUMTDHQ-JTQLQIEISA-N 355.325 3.065 0 1 FGAF Cc1ccc2[nH]c(N3CCC(C(=O)NCCc4ccccc4)CC3)nc2c1 3048570 SPRDVGHSNBAODM-UHFFFAOYSA-N 362.477 3.447 0 1 FGAF COc1ccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1OC 3906679 PLVIFOHGZFWSRO-UHFFFAOYSA-N 354.362 3.065 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1 3931465 PSKXJOTVPOZHPG-INIZCTEOSA-N 361.507 3.485 0 1 FGAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1ccncc1 8578817 SUYFXQWRRZSUPU-JASJWYONSA-N 358.423 3.343 0 1 FGAF O=C(c1ccc(F)cc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356421404 JCEOQKOAHCGIAK-YOEHRIQHSA-N 357.360 3.081 0 1 FGAF CCC(=O)N(C)C[C@H](O)c1cccc(OCc2nc3ccccc3n2C)c1 26181784 UYIDAVYFEXPFNX-IBGZPJMESA-N 367.449 3.054 0 1 FGAF CC(C)c1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1 118590406 CWUXDGOITNMQIO-UHFFFAOYSA-N 358.467 3.489 0 1 FGAF O[C@H](c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26010429 CSFMHUPEOLNPQD-SJORKVTESA-N 364.232 3.206 0 1 FGAF COc1ccc(-c2cc3c(OC)cc(OC)c4c3n(c2=O)CCC4=O)cc1 26569474 IDBLOWQDUQJYDQ-UHFFFAOYSA-N 365.385 3.281 0 1 FGAF COC(=O)[C@H]1C[C@H]2C=C(c3ccsc3)[C@H]1N(Cc1ccccc1)C2=O 2356638607 KXHRTGDAVADPBE-BPQIPLTHSA-N 353.443 3.352 0 1 FGAF CN[C@@](C)(c1nc2ncc(C#N)cc2[nH]1)c1c(OC)cc(C)c2[nH]ccc12 219479048 GVNPLJMRXUVHKE-HXUWFJFHSA-N 360.421 3.111 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCNC3)ncn1 146505835 SJQXWIHXKAHFHR-UHFFFAOYSA-N 365.481 3.001 0 1 FGAF CN(CCOc1ccc([C@H]2SCC(=O)N2C2CC2)cc1)c1ccccn1 96906736 ZHZZNFVUTPBVLP-HXUWFJFHSA-N 369.490 3.333 0 1 FGAF COc1cc(CCc2ccc(OC(C)=O)c(OC)c2)cc(OC(C)=O)c1 238742153 PRQNGCFPVINAFR-UHFFFAOYSA-N 358.390 3.340 0 1 FGAF C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)CO[C@H](c4c3n(C)c3ccccc43)[C@H]21 238749521 NYKBMPZVJCLGAM-IPJNNUCWSA-N 364.445 3.114 0 1 FGAF CC[C@@H]1C/C=C\C[C@H](c2ccc(OC)cc2OC)NC(=O)[C@@H](C)CC(=O)N1 95661919 AELWNOGVSMDSML-LVQKAXJZSA-N 374.481 3.132 0 1 FGAF O[C@H]1CCCC[C@@H]1N1CCC(C2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 253634672 IJSVCSABISGUBT-MYGLTJDJSA-N 364.574 3.017 0 1 FGAF CCc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1Br 586978241 XYDFWZUJFUMASD-UHFFFAOYSA-N 352.623 3.362 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C(=O)O)c3[nH]2)C(F)(F)C1 587131711 BQDZMDACAVDELK-JTQLQIEISA-N 367.352 3.231 0 1 FGAF C[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1C 587356564 KESUGBCCYLUIPJ-WHFYJANASA-N 356.349 3.210 0 1 FGAF COc1ncc(F)cc1-c1nc2c(I)cccc2[nH]1 587176393 RRWDQYSPJHZJOF-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF O=C(c1ccc(C(F)(F)F)nc1)n1ncc2ccc(Cl)cc2c1=O 587651084 BRHHDHMFAIUUSK-UHFFFAOYSA-N 353.687 3.152 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N2CCOCC2)N1 587774813 OSQBLXFOPAHPET-QSBLFJKKSA-N 369.278 3.184 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)o1 586931300 QAWSNXIEDDOVBU-UHFFFAOYSA-N 361.757 3.005 0 1 FGAF Fc1ccc(-c2cn3c(Cc4nc5cnncc5[nH]4)csc3n2)cc1 587165743 BRAPSMRNEZSTHB-UHFFFAOYSA-N 350.382 3.459 0 1 FGAF CN1CCc2cnn(C)c2[C@]1(c1ccc(CN2CCCC2)cc1)C1CC1 963955249 OMDOMAAJPFQKAZ-QFIPXVFZSA-N 350.510 3.157 0 1 FGAF CCCn1c(=O)c2[nH]c(-c3cc4ccccc4o3)nc2n(CCC)c1=O 12405320 IJQATWJGFBRCTO-UHFFFAOYSA-N 352.394 3.120 0 1 FGAF CCCCS(=O)(=O)/C=C\[C@H]1[C@@H](S(=O)(=O)CCCC)[C@@H]2C=C[C@H]1C2 13132517 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BIDISVPHVQYWLL-IBGZPJMESA-N 367.445 3.208 0 1 FGAF COc1cc(C(=O)c2c(N)c3c(OC)cccc3n2C)cc(OC)c1OC 29136215 DPCLRVUNDKDBOE-UHFFFAOYSA-N 370.405 3.026 0 1 FGAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC/C=C\CCC(=O)O 33956037 JTYIBILYKUHKTE-WLPXDPPTSA-N 368.514 3.433 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccccn4)ncc23)ccn1 219751569 OWGOOJVYKIDOSX-UHFFFAOYSA-N 359.393 3.045 0 1 FGAF C=CCc1cc(OC)c(O)c([C@H](CO)C(=O)c2ccc(OC)c(OC)c2)c1 13383572 CTKXYRVSBDSZDT-INIZCTEOSA-N 372.417 3.105 0 1 FGAF biogenic O=C(O)CCC[C@@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/CCCCCO 33838782 PTJFJXLGRSTECQ-TYANTGPESA-N 352.471 3.131 0 1 FGAF CNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 39235807 SIUDLAKKBRIKKR-WEHKRVTKSA-N 360.461 3.384 0 1 FGAF COC/C=C(C)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 136931072 KOMLQPBMYPUDGX-GPLUPSNSSA-N 352.515 3.071 0 1 FGAF in-vitro C[C@@]1(C(=O)NC2CCCC2)CCC(=O)N1CCc1c[nH]c2ccccc12 199398136 IETGJEQCUAGXDV-NRFANRHFSA-N 353.466 3.150 0 3 FGAF C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 45498491 IFOMXEHIJYZJDJ-VOJFVSQTSA-N 356.401 3.498 0 1 FGAF O=C(NC1CCCCC1)[C@@H](c1ccnc2ccccc12)N1CCOCC1 199395188 JHNGWYGTRPGKRY-HXUWFJFHSA-N 353.466 3.057 0 3 FGAF CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cn[nH]c3)cc1OCC2 96270825 GNCJJRXCELYPRJ-UHFFFAOYSA-N 361.409 3.172 0 1 FGAF c1ccc([C@]2(CCNCc3ccncn3)CCOC3(CCCC3)C2)nc1 96940349 VBTJHVMNANMMQU-HXUWFJFHSA-N 352.482 3.413 0 1 FGAF CCOc1ccc(-c2c(OC)ccc3nc(NC(=O)C4CC4)nn23)cc1 299822917 QHANQMWEZFCHMT-UHFFFAOYSA-N 352.394 3.152 0 1 FGAF COc1cc(-c2cc(=O)c3ccc4c(c3o2)OCO4)cc(OC)c1OC 299830946 ZRFBEFIVYZIINK-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)s1 299823831 BAHPMVAZGYQLKY-UHFFFAOYSA-N 364.474 3.476 0 1 FGAF COC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 653787281 CLLRKHPMBOMVBC-OAHLLOKOSA-N 368.368 3.045 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccco2)(C(=O)O)N1 587831854 YNHKEVKNMMIKJK-FVMDXXJSSA-N 368.202 3.238 0 1 FGAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)CC2 587946764 NAWSQCGPBZBTKF-ZDUSSCGKSA-N 356.447 3.248 0 1 FGAF COc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1C 587582958 RZYIQOVAMPUEBP-QFBILLFUSA-N 366.373 3.146 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cccn1 587862915 LGILNEVGFXJLPL-UHFFFAOYSA-N 350.300 3.114 0 1 FGAF CC[C@@]1(c2cncn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574907 CQXZYYYUSVUMGN-XLIONFOSSA-N 350.374 3.393 0 1 FGAF CCN(c1ccc(-c2csc(-c3ccc(=N)[nH]c3)n2)cc1)S(C)(=O)=O 587923584 YAWVKRQWNNSKDP-UHFFFAOYSA-N 374.491 3.071 0 1 FGAF O=C(c1ccc(O)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613577 ZMLRGJWNYGXMBS-UWJYYQICSA-N 362.337 3.311 0 1 FGAF Fc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)OCCO3 587157279 JYJXUIKJOLGHJT-UHFFFAOYSA-N 350.147 3.298 0 1 FGAF CC(C)(C)OC(=O)N1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)CC4 587213602 XZIMECDNUUVHLW-INIZCTEOSA-N 354.406 3.080 0 1 FGAF CC(=O)NC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574574 XLEPCYOTIKALTD-UTKZUKDTSA-N 369.417 3.417 0 1 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O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356337451 ZCTSKBWACUAFIA-FCMIUPNMSA-N 366.457 3.401 0 1 FGAF CC[C@H](O)CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356340562 SBXDKWTYHRBIPS-IPMKNSEASA-N 352.471 3.129 0 1 FGAF O=C(O)CCc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)CCC2 58575899 WMBHFEGLMDPHMG-LCYFTJDESA-N 368.364 3.183 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(C)C)c2s1 103264866 DMEUWOUOMPOIFT-UHFFFAOYSA-N 371.466 3.317 0 1 FGAF O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(Cl)c4)nn3)ccc2O1 103241883 UABQEBOHSTUENA-UHFFFAOYSA-N 359.794 3.281 0 1 FGAF CC[C@@H]1CCCCc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959218 CDHITIHANXASKS-OXFYSEKESA-N 360.450 3.323 0 3 FGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@H]2N(C)C 66263374 ZBSOWTXULBZDMS-MCSHHISBSA-N 357.494 3.369 0 1 FGAF O=C1NC[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2[nH]cnc2c1 116829107 YQYZHMRBCDCVOR-ZDUSSCGKSA-N 358.304 3.155 0 1 FGAF Cc1cccc(CN2CCN(CC(=O)NCc3ccccc3Cl)C2=O)c1 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CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)C1 299878180 IMRXPYAJPMDGTE-XYPHTWIQSA-N 359.518 3.127 0 1 FGAF CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(COC)cc(C(=O)O)c1 653699203 GTJKBLFFCRMRAD-UHFFFAOYSA-N 371.389 3.385 0 1 FGAF Cc1sc(=N)[nH]c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610410 FURVPDAKGGDYRY-AUUYWEPGSA-N 368.414 3.447 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCCCO4)C2 587246331 GKCNCMOUYMSEDC-OAQYLSRUSA-N 365.433 3.076 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nccc1C 587862773 IPABKCSFHARIPG-UHFFFAOYSA-N 364.327 3.423 0 1 FGAF O=S(=O)(CCc1nc2cc(Cl)ncc2[nH]1)c1ccc2c(c1)CCC2 586920035 DRAFEPDGLYFRDV-UHFFFAOYSA-N 361.854 3.116 0 1 FGAF CC1(C)[C@H](C(=O)O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607928 IVNUJOPEJJODEO-VHPWJVAPSA-N 354.358 3.223 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(C)cc1 587216673 JAHLVPCPHMDVLV-QGZVFWFLSA-N 362.433 3.176 0 1 FGAF CCOC(=O)Cc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170579 DGRVPIQHQPQJMJ-UHFFFAOYSA-N 370.380 3.265 0 1 FGAF Brc1ccc([C@@H](c2nc3cncnc3[nH]2)N2CCCC2)cc1 586985347 UULBWSQHDFVLKZ-AWEZNQCLSA-N 358.243 3.301 0 1 FGAF C[C@]1(c2ccnc(Cl)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216434 BSEMXXLWDLCLAH-DNVCBOLYSA-N 371.799 3.285 0 1 FGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1cccnc1 962900298 PKELSULZDZCPTF-ICSRJNTNSA-N 365.408 3.317 0 1 FGAF COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1 13493235 XGXUWJSIDSMGFX-UHFFFAOYSA-N 368.477 3.489 0 1 FGAF CNc1ccccc1C[S@@](=O)c1nc2c(n1-c1ncccc1C)CCC2 13746208 WLWLXQOUGITLBA-SANMLTNESA-N 366.490 3.414 0 1 FGAF C[C@H](C#N)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167867769 HQCPMHWICKAVEY-GFCCVEGCSA-N 352.369 3.015 0 1 FGAF CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1 1857552139 HPKQVHUQERTKKU-AWEZNQCLSA-N 352.438 3.300 0 1 FGAF CCOC(=O)C1CCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1 1857655159 NMIQNUNQVBOGLJ-UHFFFAOYSA-N 352.793 3.376 0 1 FGAF C[C@@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857755102 CSNKCLMUMSYGCB-DOMZBBRYSA-N 358.388 3.302 0 1 FGAF CCCCCCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)cc1 5523968 CFJMHEIWIQRQOI-QGZVFWFLSA-N 351.491 3.126 0 1 FGAF CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCCOC)cc1 3653599 SDQRCNDEZMTBNN-UHFFFAOYSA-N 359.470 3.440 0 1 FGAF CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1 4238806 BRXSMOWDBPZRIA-UHFFFAOYSA-N 361.380 3.048 0 1 FGAF O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)N1CCCCCC1 4593027 UYBAREIFFQWDTQ-AMBYYYRHSA-N 364.445 3.014 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 6385407 HLQKDBFAUUHNMA-UHFFFAOYSA-N 350.422 3.222 0 1 FGAF O=C(Nc1nccs1)c1ncsc1CCOC(=O)C1CCCC1 28464215 JPSWNFMXBLRSIV-UHFFFAOYSA-N 351.453 3.128 0 1 FGAF CC=CCCC(=O)C[C@H](O)CCO[C@]1(CCC=CC)C[C@H](O)CCO1 2356335090 SRMFPPPFRLKNNH-AQNXPRMDSA-N 354.487 3.293 0 1 FGAF Cc1nccn1CCC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1 26267358 CBAINXCWELALIG-UHFFFAOYSA-N 355.388 3.331 0 1 FGAF O=C(O)CCCCCC[C@@H]1SCC(=O)N1CCC1(O)CCCCC1 27093336 PWBLNYCBNMHWIC-INIZCTEOSA-N 357.516 3.398 0 1 FGAF COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1 34963166 JDYXUSPYOGWCEU-UHFFFAOYSA-N 360.377 3.229 0 1 FGAF CCCCNc1nc(NC[C@H]2CCCO2)nc2cc(OC)c(OC)cc12 82129988 YQSFRVZOLVVKJC-CYBMUJFWSA-N 360.458 3.450 0 1 FGAF O=C(c1cccnc1)n1[nH]c(COc2cc(Cl)cc(Cl)c2)cc1=O 95557493 QUGHUUSTNYEUJR-UHFFFAOYSA-N 364.188 3.146 0 1 FGAF CCc1nnc(N2CCN(c3ccccc3)CC2)n1-c1ccccc1F 96283518 IHBYPCHVQVSJOW-UHFFFAOYSA-N 351.429 3.295 0 1 FGAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCC2)cc1F 261072775 AJZBHRHVGAUWFR-UHFFFAOYSA-N 363.838 3.128 0 1 FGAF OC1CCN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)CC1 299835659 MHEFNOXDXHTRJC-UHFFFAOYSA-N 352.413 3.342 0 1 FGAF O=S(=O)(Nc1nccnc1Nc1ccnc(Cl)c1)c1ccccc1 299823718 SRRQQYLWFLWKGS-UHFFFAOYSA-N 361.814 3.069 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC1(C)OCCO1 587862710 WNZQVMRFKDKWEQ-UHFFFAOYSA-N 370.327 3.371 0 1 FGAF CCOC(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587400327 QPGFHYXHNPQHDC-NRFANRHFSA-N 369.417 3.400 0 1 FGAF COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587225129 QSEKSMSFYGLGDP-UHFFFAOYSA-N 353.422 3.450 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CC(=O)O)c1C)CC2=O 587474138 BWFJLBZHEIRSFP-FQEVSTJZSA-N 372.421 3.123 0 1 FGAF COc1nc(N2CCCC2)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397362 ZZIKOXYJZAXONW-NRFANRHFSA-N 367.449 3.462 0 1 FGAF CCC[C@@]1(/C(=C\N(C)C)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587387863 TWWUTNITYMTHKO-LFDGNKEFSA-N 360.454 3.090 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2n1 587120505 MHNXJWGYMGLKPC-UHFFFAOYSA-N 361.283 3.307 0 1 FGAF Cc1nn(C)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757215 OBTANLATZQCNKH-JDNHERCYSA-N 352.251 3.428 0 1 FGAF Clc1ncc(-c2nc3ccc(I)cc3[nH]2)cn1 587085828 JUBRABRNZZQQTJ-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF O=C(O)c1ccnc(-n2nc(C3(c4ccc(Cl)cc4)CC3)cc2O)c1 146850907 SCXPFBUUVUZXDW-UHFFFAOYSA-N 355.781 3.404 0 1 FGAF CNC(=O)c1cc(Oc2ccc3cc(C(=O)OC(C)C)n(C)c3c2)ccn1 1772642361 MKYXZCZQHWEISM-UHFFFAOYSA-N 367.405 3.290 0 1 FGAF COc1cc(NC(=O)/C=C/c2cccc(OC(C)=O)c2)cc(OC)c1OC 169312376 CZZTYNDRJIGRSJ-CMDGGOBGSA-N 371.389 3.290 0 1 FGAF COc1ccc(OC)c(-c2ccc3c(c2)[C@]2(CCO3)N=C(C)C(N)=N2)c1 169708862 OOCXJKMXIADCPK-HXUWFJFHSA-N 351.406 3.138 0 1 FGAF O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100276055 RDDSSNCMUUKINF-DLBZAZTESA-N 365.410 3.493 0 1 FGAF O=C(O)[C@H]1Cc2cc([C@@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1 26650596 GFKYAZOCXXIWHG-BXUZGUMPSA-N 352.173 3.368 0 1 FGAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)[C@H](O)C2=O 2356600523 OSTWBWVLHIOYRT-UXHICEINSA-N 370.401 3.292 0 1 FGAF CC=C1[C@H]2CCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(=O)CC)[C@H]4C2)[C@@H]13 2356677484 QZOWXKDNCYWNHV-TWNWIDSVSA-N 368.477 3.208 0 1 FGAF CC(C)(C)[C@H]1CC[C@@H](C(=O)N2CCCC2)N1C(=O)CCCc1cccnc1 35328218 XXCHZVKUHJQDTI-RBUKOAKNSA-N 371.525 3.432 0 1 FGAF O=S1(=O)C=C(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)CCC1 136183339 SMZPMKLLNJSJSF-UHFFFAOYSA-N 364.444 3.011 0 1 FGAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(Cl)cc2[C@@]3(C)O)CC1 45394318 DLBPBBLWWVRHBP-FQEVSTJZSA-N 372.852 3.089 0 1 FGAF C[C@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 142281360 JCAKIRPULCVXNW-VIFPVBQESA-N 353.407 3.317 0 1 FGAF CCN1CC[C@@H](OC(=O)c2[nH]cc(C(=O)O[C@H](C)C(C)(C)C)c2C)C1 253635256 DICFAXZCXKVYRH-ZIAGYGMSSA-N 350.459 3.166 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1 587950886 DVUQTPGJYXBKFF-HLIUYOAVSA-N 359.470 3.342 0 1 FGAF COC(=O)c1ccnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231479 BFHVULDGSSQGBW-UHFFFAOYSA-N 362.389 3.294 0 1 FGAF CCOC(=O)[C@H]1CN(CC)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518040 ZBVRVOGKBCCZFS-GCJKJVERSA-N 371.477 3.174 0 1 FGAF CCOC(=O)[C@]1(c2ccc(Cl)nc2)CC(=O)c2cc(C)cc(N)c2O1 587380334 STAAWZAMJMTBDE-GOSISDBHSA-N 360.797 3.049 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC2=O 587489941 XHUNPDVKZQYHBY-LJQANCHMSA-N 366.417 3.242 0 1 FGAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cn1 587124657 NTSQKXJIFKZQEW-RDDDGLTNSA-N 352.320 3.138 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587765024 BEOURZOGWHXKLE-DIFFPNOSSA-N 369.278 3.350 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)cs1 587022410 WURRGEPVQRFHGT-HNNXBMFYSA-N 350.407 3.490 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cnc2[nH]1 587226524 ZPPJNOMIKGDUST-SNVBAGLBSA-N 364.327 3.060 0 1 FGAF Cc1c(Br)cnc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc12 587961203 KMACOOUPNZCFGN-UHFFFAOYSA-N 360.211 3.247 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587838591 OHCQFXJNGOVZGR-DKNOUGMTSA-N 368.246 3.408 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(Cn1nnc(N2CCCC2)n1)C(C)(C)C 963024355 MYWFLTXFTZGFPZ-LJQANCHMSA-N 374.558 3.039 0 1 FGAF Cc1ccnc2c1CCN[C@@]21c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 963067743 AIYPQAZKFUIBRO-NFBKMPQASA-N 374.440 3.367 0 1 FGAF CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 13444691 KZBINGTZAGPLQP-UHFFFAOYSA-N 362.470 3.212 0 1 FGAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccncc1 169303449 KEHHAHQZUQWJSV-INIZCTEOSA-N 354.360 3.353 0 1 FGAF COC[C@H](COc1cccc2cnccc12)NCc1ccccc1OC 169329850 KEZCEPMFJNIMGR-GOSISDBHSA-N 352.434 3.427 0 1 FGAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)COC4)cc3)cc12 205306080 BAOSCKJYYGSTGB-UHFFFAOYSA-N 357.793 3.447 0 1 FGAF O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1 205319877 GKAKWEIIOGWJTD-UHFFFAOYSA-N 355.344 3.401 0 1 FGAF Cc1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857570048 ZEFYSNINSJVGJT-KRWDZBQOSA-N 354.431 3.343 0 1 FGAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C\[C@H](O)[C@H](O)CCCC(=O)O 261116952 IXAQOQZEOGMIQS-RTEQMALHSA-N 352.471 3.129 0 1 FGAF in-vitro COC(=O)/N=c1\[nH]c2cc(Cl)cc3c2n1C[C@@H](C)N(CC=C(C)C)C3 26954476 RTCDKTPPMZMKBH-GFCCVEGCSA-N 362.861 3.460 0 1 FGAF CC(=O)c1cccc2c1OC(C)(C)[C@@H](O)[C@H]2NC(=O)c1ccc(F)cc1 27520579 VQTZWZYSOPISCU-WMZOPIPTSA-N 357.381 3.031 0 1 FGAF CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(C)(C)O 28953785 WDOJWYWEVVIODK-SNVBAGLBSA-N 370.371 3.295 0 1 FGAF Nc1nc2nc(SCc3ccccc3)nc(SCC(=O)O)c2s1 28569821 UFCXVCQHZQDLAZ-UHFFFAOYSA-N 364.477 3.138 0 1 FGAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@H](O)CC=CCCCC(=O)O 2356564654 WPLPEZUSILBTGP-CEXWTWQISA-N 354.487 3.353 0 1 FGAF COc1c(C(C)C)cc(O)c2c1CC[C@]1(O)C3=C(CC[C@@]21C)C(=O)OC3 2356691178 ZUXXDOUXNWRZDC-SFTDATJTSA-N 358.434 3.106 0 1 FGAF Cc1cccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c12 73139476 QTXVDPKMJKPHPM-UHFFFAOYSA-N 363.417 3.134 0 1 FGAF CC(C)Cc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73141016 MHYXVWFPFPCNOY-UHFFFAOYSA-N 373.478 3.216 0 1 FGAF CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3CC3CC3)n2)cc1 45495757 CMZSDEFKYDBOOO-UHFFFAOYSA-N 362.437 3.162 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)co1 82068996 IGNKBBPHSRPWFI-INIZCTEOSA-N 350.374 3.076 0 1 FGAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N(C)C(=O)C(C)C)c2)cc1 142646149 QOVBGPLPADUXIA-INIZCTEOSA-N 368.477 3.391 0 1 FGAF NC[C@@H]1CCC[C@H](CNC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)C1 145117707 CSKKHGUHJKUGMM-OLZOCXBDSA-N 369.494 3.181 0 1 FGAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3cccc(C)c13)OC(=O)[C@]2(C)O 96086440 PHJXJLUAXVXKCQ-JLXOPUERSA-N 370.401 3.293 0 1 FGAF Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccncc3)ccc12 95572860 LULSEOAIFJKNBV-UHFFFAOYSA-N 353.374 3.401 0 1 FGAF Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl 95555901 MAKSTWQPSPFHFW-UHFFFAOYSA-N 356.253 3.199 0 1 FGAF CC(C)CC(=O)OC[C@@]1(c2ccc(C=O)cc2OC(=O)CC(C)C)CO1 238745117 CNCRXGPNUMFDSK-FQEVSTJZSA-N 362.422 3.265 0 1 FGAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2cccc(Cl)c2)cs1 96916358 QFEKQEKBWZPRSC-JTQLQIEISA-N 367.839 3.144 0 1 FGAF COc1cc(Oc2ccc(-c3c(C)c(O)nc(=O)n3C)c(C)c2)ncc1F 261115818 ITNHPONGIMUNBO-UHFFFAOYSA-N 371.368 3.105 0 1 FGAF COc1ccc(OC)c(S[C@H]2CC(=O)N2C(=O)NCc2ccccc2)c1 299859549 FWSIIZCBUXXJBU-SFHVURJKSA-N 372.446 3.264 0 1 FGAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 473135044 KXMHZWBPZODAEN-UHFFFAOYSA-N 362.355 3.236 0 1 FGAF CC(=O)c1cc(-c2ncc(C)cc2F)c2cc(N3CCOCC3)ccn12 653786117 XDCZGBLDCLEZKA-UHFFFAOYSA-N 353.397 3.488 0 1 FGAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1Cc1ccco1 587393125 YYFRVROMBOQQBN-HXUWFJFHSA-N 352.390 3.211 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCNCC3)c(F)c1)O2 587384189 BPICPAHOEIHETN-NRFANRHFSA-N 369.440 3.007 0 1 FGAF CSCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662198 WZANXYUGMTUSDM-UHFFFAOYSA-N 373.478 3.288 0 1 FGAF Cc1[nH]c(=N)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612234 LHVJALYGAHGBKG-LIRRHRJNSA-N 368.414 3.447 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCC2)N1 587756171 QGRQZHRHFMAFLH-PSLIRLAXSA-N 355.251 3.080 0 1 FGAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398927 GPTZSIFLJWENKN-FQEVSTJZSA-N 355.390 3.311 0 1 FGAF COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905030 WKNFAHRJENJRQL-MAUKXSAKSA-N 367.779 3.107 0 1 FGAF CCc1ccnc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962978578 RZKUYDSINXHAJV-BBRMVZONSA-N 352.768 3.264 0 1 FGAF CN1CCc2c(Br)cccc2[C@@H]1c1ccccc1OCCO 963289449 NFSKSJBAGBYFDG-GOSISDBHSA-N 362.267 3.398 0 1 FGAF COCCNc1nc(-c2ccc(C(C)=O)cc2)nc2c1ncn2C(C)C 14947361 UYNFFYNSGJDLIL-UHFFFAOYSA-N 353.426 3.335 0 1 FGAF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709153 VLORPCHYYGAWDO-YWZLYKJASA-N 369.465 3.335 0 1 FGAF O=C(Nc1cc(Br)ccn1)c1cc(Oc2cncnc2)ccn1 167548742 NDRPUFFUVSVSLV-UHFFFAOYSA-N 372.182 3.074 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cc(F)cc(F)c2)nn1 203462488 RZPKWXMVAWOPMG-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF CC(C)CCCc1c(O)ccc2c1O[C@]1(NC(=O)C(Cl)=C1Cl)C2=O 1857560684 KFMBHWBBWMOILQ-KRWDZBQOSA-N 370.232 3.461 0 1 FGAF O=C(/C=C/c1ccccc1O)Nc1cccc(OCC2CCNCC2)c1 1857569637 NKWOQKHWDUQZNV-CMDGGOBGSA-N 352.434 3.423 0 1 FGAF COc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 28523468 IPQDDDUPSPGGON-WOJBJXKFSA-N 367.449 3.344 0 1 FGAF COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1 28823967 UYUSPOUKBUGCQZ-UHFFFAOYSA-N 366.465 3.163 0 1 FGAF COc1cc([C@H]2CN=C(c3ccc4nc[nH]c4c3)O2)cc(OC)c1OC 27525957 WXBHEIWVWDNKLW-QGZVFWFLSA-N 353.378 3.107 0 1 FGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@H](C)[C@@H]2C(=O)[C@]2(O)C[C@H](CC(C)C)NC2=O)C1 2356866676 WGUBLCYMEGYPMR-QWQPUNKNSA-N 359.510 3.406 0 1 FGAF C/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc(OC)c(F)c4)ccc3c12 35279743 JCKIOPOXTGNOEZ-UHFFFAOYSA-N 355.394 3.212 0 1 FGAF Nc1ncc(-c2ccccc2)nc1N1CCC[C@@H](OCc2ccccn2)C1 32561807 VLPZIFMAKDGRDW-GOSISDBHSA-N 361.449 3.306 0 1 FGAF FC(F)(F)Oc1cccc(-c2nc3ccnc(N4CCOCC4)c3[nH]2)c1 74386695 PVEUASAGHZCAFK-UHFFFAOYSA-N 364.327 3.360 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCOC3)c2cn1)c1ccccc1 210678801 IPFGDPRGKMIVJK-TZMCWYRMSA-N 366.425 3.041 0 1 FGAF COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@H]2C)ccc1O 13340370 ATJXKALKESRMIG-LAARNHDHSA-N 360.406 3.061 0 1 FGAF biogenic COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2C)ccc1O 13400231 KVBURIUCHVKRJG-QGHHPUGFSA-N 370.357 3.417 0 1 FGAF biogenic C=CC[C@@]12C[C@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2 34065885 VMBFNOIPGQFDTB-IZYYGPHGSA-N 370.401 3.320 0 1 FGAF Cc1cc(C)c(CN2CCc3ccc(OC(C)C)c(C)c3C2=O)c(=O)[nH]1 217959714 LMEVDBXFNKOLNE-UHFFFAOYSA-N 354.450 3.286 0 1 FGAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1O 49046573 LGJLFHYLMGCVHP-HNNXBMFYSA-N 372.421 3.208 0 1 FGAF CNc1ncc2c(-c3ccc(OC)cc3)nn(CC3CCC(N)CC3)c2n1 84670412 RROWXJNEWORONQ-UHFFFAOYSA-N 366.469 3.061 0 1 FGAF CCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82070124 HPSIOZOLTCENHL-QGZVFWFLSA-N 357.454 3.321 0 1 FGAF COc1ccc(C(=O)c2c(C)[nH]c3c(OC)c(OC)c(OC)cc23)cc1O 95589115 SWMSNWXKURVIHN-UHFFFAOYSA-N 371.389 3.447 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cncnc3)cc([C@@H]3CCCO3)c2[nH]1 299839651 SWABWEQHPSEDED-HNNXBMFYSA-N 352.398 3.013 0 1 FGAF N=C(N)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217779 FTKKBUVWHQZWEW-IBGZPJMESA-N 369.428 3.366 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c(C)[nH]c3ccccc13)O2 587397137 TXBKWZULSBDSAM-FQEVSTJZSA-N 350.374 3.312 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587784242 GJRWMWOHRQHWMV-VXGBXAGGSA-N 354.337 3.344 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1ccccc1C)O2 587397500 BEFJQFBXASNPDO-JOCHJYFZSA-N 366.461 3.079 0 1 FGAF O=C(CCc1nc2ccc(Br)nc2[nH]1)Nc1cccc(F)c1 587163602 SPVXAFRMWFGFAP-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(CNC(C)=O)s1)[C@@H](C2)C3=O 587452053 QGLZWJKNFJCLLO-IFXJQAMLSA-N 357.431 3.056 0 1 FGAF CCn1cc(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587417876 MZXNIAZDWLNZLQ-HWPZZCPQSA-N 363.211 3.163 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O 587101714 OZPQAYMBMGAUOY-DYVFJYSZSA-N 373.364 3.180 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C/C(=O)O)=COc2ccccc21 587406573 CQLDJGCAUWCJEW-IRUYWQDXSA-N 363.369 3.355 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1CCF 587552742 BYJXKVNGGYXQLF-VQIMIIECSA-N 354.337 3.261 0 1 FGAF Cc1nn(C)cc1-c1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)no1 587874831 CUJCZRWOBWDBFV-UHFFFAOYSA-N 365.324 3.180 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587052637 ZFNNEUYCVOIOFJ-GFCCVEGCSA-N 356.813 3.049 0 1 FGAF O=C(O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006080 BRUUQYMXCLCWHF-UHFFFAOYSA-N 357.167 3.338 0 1 FGAF COC(=O)[C@@H]1[C@@H](C)CC(=O)C[C@]12NCCc1c(Cl)cc(Cl)cc12 963123102 PFNCIUIFSOCMTP-WIVTXXNASA-N 356.249 3.123 0 1 FGAF Cc1cc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)n(-c2ccccc2)n1 5058687 POHLMAKXYUNQQZ-IRXDYDNUSA-N 354.498 3.279 0 3 FGAF CCCCO[C@@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559510 DVJNDDVJESLJKZ-LJQANCHMSA-N 357.458 3.207 0 1 FGAF CCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(Cc2ccccc2)c1 13743786 CCFQAVYEIAXPFW-HXUWFJFHSA-N 370.493 3.364 0 1 FGAF C[C@H](CF)N1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 13835337 MSVUCHUHJRYEIG-YLJYHZDGSA-N 371.452 3.288 0 1 FGAF COC[C@@H]1CCN(C(=O)c2cc(COc3ccccc3SC)on2)C1 14970896 QENRKAVCWYUWRN-CYBMUJFWSA-N 362.451 3.084 0 3 FGAF C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)C(=O)CC2=C[C@H]1OC2=O 15263048 CROISFXTXKWWQV-XVSDVWIESA-N 370.401 3.285 0 1 FGAF biogenic C[C@@H]1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(C#N)c1 168079406 ONGKHRMQCCVSPT-MRXNPFEDSA-N 372.428 3.378 0 1 FGAF COc1cc(/C=C/C(=O)Oc2ccc3c(c2)C(=O)OC3)cc(OC)c1OC 1857585599 RHXMEHQEJVDLQY-QPJJXVBHSA-N 370.357 3.002 0 1 FGAF NC(=O)c1c(F)ccc2nc(C3CCN(Cc4ccccc4)CC3)[nH]c12 1857593264 QTZASDNURBIEOS-UHFFFAOYSA-N 352.413 3.181 0 1 FGAF COC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1 1857618816 WFKGXYJYRVHFRO-VIFPVBQESA-N 373.800 3.323 0 1 FGAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C1=C1OC(=O)C(C)=C1[C@@H]2OC(=O)C(C)C 2356417786 LTPAHBQBRCYXSN-AZJPHBLTSA-N 362.422 3.063 0 1 FGAF Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1c(C)cccc1C 6802746 DRTRRRZIRGIEQY-UHFFFAOYSA-N 355.463 3.393 0 3 FGAF FC(F)Oc1ccc(-c2nnc3cncc(OCC(F)(F)F)n23)cc1 103303148 VZIMTSNALAAOKI-UHFFFAOYSA-N 360.242 3.334 0 1 FGAF COc1cc2nc3c(O)n(CCN4CCCC[C@H]4C)cnc-3c2cc1OC 103591811 FZPNQTVZXXGFAZ-CYBMUJFWSA-N 370.453 3.133 0 1 FGAF O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1[C@@H]1CCNC1 27766469 ZFFOXMWSUPVZEM-CYBMUJFWSA-N 357.816 3.025 0 1 FGAF COc1ccc2c(c1)C(=O)C[C@H](CCN1CCN(c3ccccn3)CC1)C2 28460030 LJMYIOFXUXKQPP-QGZVFWFLSA-N 365.477 3.048 0 1 FGAF Cc1ncc(CNc2ccc(-c3ccc(C(=N)N)cc3)cc2)c(CO)c1O 28376289 UBYMXZHBZRSSRF-UHFFFAOYSA-N 362.433 3.151 0 1 FGAF COc1ccc(-c2nc3c(C(=O)Nc4c[nH]cn4)cccc3[nH]2)cc1OC 71316874 MYHLQLAFNKMQCI-UHFFFAOYSA-N 363.377 3.223 0 1 FGAF C[C@H](CC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 195505179 PGWOBVRIBXLYFJ-FHIRATQRSA-N 357.592 3.472 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CNCC(=O)O5)[C@@H]1CCC2=O 141827680 AVHXQCXDMNNIEN-QDYOMNNKSA-N 359.510 3.483 0 1 FGAF Nc1ncccc1C(=O)O[C@@H](C(=O)NC1CCCCCC1)c1ccccc1 621428615 JDDQYGIDWQPNBO-GOSISDBHSA-N 367.449 3.401 0 1 FGAF Cc1ncc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)cn1 653852830 NPWXHVJMCNCZDA-UHFFFAOYSA-N 355.785 3.460 0 1 FGAF CN1CCC(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580854 FEJGQGALIBPODP-OALUTQOASA-N 353.418 3.454 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)c2)N1 587742497 ADFDKCYBMQKPGS-JDNHERCYSA-N 350.235 3.193 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CO)ccn2)N1 587774241 USDSSTSKDUEISN-FVMDXXJSSA-N 351.219 3.099 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587098524 SEJAFAGKXZMGDW-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF CC(C)(C)OC(=O)NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570951 JYQANBPNQYFEQE-HZPDHXFCSA-N 371.389 3.247 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556145 NOTJZPOXJFYOBY-QSFXBCCZSA-N 374.364 3.404 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3ccc4ncccc4c3[nH]2)CC1 586953283 RCVXFQUJDHZKQR-UHFFFAOYSA-N 358.467 3.109 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc4c3OCC4(C)C)[nH]c12 586912493 URDRJSDTRORUNL-UHFFFAOYSA-N 371.462 3.150 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587224480 IRETZLGZYXJJRW-QMMMGPOBSA-N 367.302 3.203 0 1 FGAF NC(=O)c1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168425 VQUIEQOATBKGDN-HNNXBMFYSA-N 367.384 3.170 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587232958 GNVXXRDDQCNSPI-YUMQZZPRSA-N 367.500 3.091 0 1 FGAF Cc1cc2c(cc1O)[C@@](C)(c1cnc3ccsc3c1)N[C@H](C(=O)O)C2 963487790 DJHZTUXYDUUPCL-HNAYVOBHSA-N 354.431 3.173 0 1 FGAF COCCCON1C(=O)[C@@H](NC(=O)OCCCCC2CCCCC2)[C@@H]1C 1772610690 QUQHICOWSWGUGP-RDJZCZTQSA-N 370.490 3.031 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](CSC)c3ccccc3)ncc12 1772619900 NMHKCZKUPWFVLR-CQSZACIVSA-N 357.439 3.192 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 11592548 XEYBRNLFEZDVAW-QLSSOSBMSA-N 352.471 3.251 0 1 FGAF COc1ccc([C@H]2c3c(N)nc(SC)nc3N=C3CCCC(=O)[C@@H]32)cc1 1857588835 SBBOKOHPPVAFQV-HUUCEWRRSA-N 368.462 3.377 0 1 FGAF Brc1ccc(N(CC2CC2)C2=NCCN2)cc1Br 28229811 SNPLUWGAYQWLAV-UHFFFAOYSA-N 373.092 3.387 0 1 FGAF CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758421 RZCLZBAXRQXJNE-KRWDZBQOSA-N 367.449 3.229 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@](C)(C[C@@H](O)c3ccoc3)[C@H]3C[C@@H](OC3=O)[C@]12C 2356384832 OUDOZOWBJINZGF-BZROMVQESA-N 374.433 3.170 0 1 FGAF CC[C@@H](Sc1nncn2c1cc1occc12)C(=O)NCc1ccco1 6893981 HIBALMYBWQTFJX-OAHLLOKOSA-N 356.407 3.256 0 1 FGAF Cc1ncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O 101581804 JEYLNWQDTLWEBW-OKILXGFUSA-N 353.422 3.299 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632301 GTPXAZMVRSAQCK-GUYCJALGSA-N 370.449 3.499 0 1 FGAF CN1CC[C@]2(c3cccc(O)c3)C[C@H](NC(=O)Cc3ccccc3)C[C@@H]1C2 100725699 IRLRCXSDYSNISD-VIZSFHNOSA-N 364.489 3.246 0 1 FGAF Cc1ccc(S(=O)(=O)NC(=O)NC23C[C@@H]4C[C@H](CC(F)(C4)C2)C3)cc1 102952228 LDNKPWXUUQRYFH-JDPPGYRCSA-N 366.458 3.044 0 1 FGAF COc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1 62241976 VMQZTUVADKYPAR-UHFFFAOYSA-N 372.421 3.192 0 1 FGAF CCCCC[C@@H](O)C[C@@H](CCc1cc(OC)c(O)cc1CO)OC(C)=O 2356428163 ZZYCHYCROSQANS-QZTJIDSGSA-N 368.470 3.089 0 1 FGAF Cc1nc(N)c2ccc(-c3nn(C)/c(=N/C4CCCCC4)s3)cc2n1 28391269 OBFFFLYGIGCWNB-PYCFMQQDSA-N 354.483 3.216 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 35859117 DWBSPRNBPGOZCH-KDBJUTIMSA-N 374.433 3.459 0 1 FGAF C[C@H](C(=O)[C@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CC[C@H](O)C1 38208913 OIMXBOSCSZXRHQ-NUJGCVRESA-N 367.445 3.381 0 1 FGAF O=c1oc2ccc(-c3cccnc3)cc2c2c1[nH]c(=O)n2-c1ccccc1 210273345 OJEVNBVVJFQNBR-UHFFFAOYSA-N 355.353 3.487 0 1 FGAF CCOC(=O)c1nc(-c2ccc[nH]2)n(-c2ccc(C(F)(F)F)cc2)n1 72181376 DDSMZDLDLRYAQF-UHFFFAOYSA-N 350.300 3.458 0 1 FGAF CC(C)(C)CC(C)(C)NC(=S)OCCN1C(=O)c2ccccc2C1=O 40940101 DHQHOSRRNNJHEX-UHFFFAOYSA-N 362.495 3.389 0 1 FGAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)C1 82203994 IMRXPYAJPMDGTE-XOKHGSTOSA-N 359.518 3.127 0 1 FGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 88260831 LAJRMLHKDHAMOJ-RTWAWAEBSA-N 372.534 3.116 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587130233 QAKMUYYVQOOUDG-UHFFFAOYSA-N 367.377 3.062 0 1 FGAF COc1cc(C)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587662064 XCQJVJFHFSEZNB-UHFFFAOYSA-N 362.364 3.299 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)ccn1)CC2=O 587489326 UQZLEVIEBQGBCV-HXUWFJFHSA-N 355.390 3.407 0 1 FGAF CCOC(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597258 QJWKSRLBSJRVOE-WIYYLYMNSA-N 368.385 3.456 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](CN1C(=O)COc3ccccc31)CC2=O 587486851 MTKQIUXCLLWJOH-CYBMUJFWSA-N 367.401 3.104 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Cc1ccccc12 587602271 HHODGRZGSQGXDW-UGKGYDQZSA-N 358.349 3.375 0 1 FGAF O=C1C[C@@H](CN2C(=O)COc3ccccc32)Oc2c1ccc1c2CCCC1 587518362 GQOMMNPSUBEICQ-HNNXBMFYSA-N 363.413 3.325 0 1 FGAF C[C@@H](C#N)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167867877 HQCPMHWICKAVEY-LBPRGKRZSA-N 352.369 3.015 0 1 FGAF COc1ccc2c(c1OC)[C@@]1(C(=O)Nc3cc(F)c(F)cc31)N(C)[C@@H](C)C2 962638035 UQWKMHMTWVNGRN-FVINQWEUSA-N 374.387 3.054 0 1 FGAF CN1CC[C@](C)(O)[C@H]([C@@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962711873 QRUZAEQQJWPAPS-HSALFYBXSA-N 360.523 3.317 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cccc(-n2ccnn2)c1 963058473 OZQOARGEVLYICT-QFIPXVFZSA-N 371.444 3.233 0 1 FGAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cccnc1N1CCOCC1 963102407 KCVAOIQFNXKJMH-PXNSSMCTSA-N 353.441 3.167 0 1 FGAF CCN(C)C[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183386 IYBDCXVHIOFNHM-ABAIWWIYSA-N 364.795 3.125 0 1 FGAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)C)c1O 1772602651 QZJPRXQVLPKGFL-GFCCVEGCSA-N 372.874 3.458 0 1 FGAF CCC[C@H]1Oc2ccccc2N(Cc2cn(Cc3ccccc3)nn2)C1=O 1772570994 UGJMZQQNABJDIT-HXUWFJFHSA-N 362.433 3.421 0 1 FGAF COC1=C(OC)/C(=C/Cn2cc(-c3ccc(C(C)(C)C)cc3)nn2)OC1=O 169327689 WWYVILLMACQIJB-YBEGLDIGSA-N 369.421 3.188 0 1 FGAF CCC(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 167844033 XVEVTFRDAHRZJF-RTWAWAEBSA-N 352.478 3.191 0 1 FGAF COC1=C(CC=C(C)C)[C@@H]2O[C@@H]3c4ccc(O)cc4OC[C@@]3(O)[C@@H]2C=C1 2356386406 HUQUUOIUJGCTAS-UMSONDCASA-N 356.418 3.398 0 1 FGAF Cc1nnn(C23C[C@@H]4C[C@H](CC(CC(=O)Nc5cccc(F)c5)(C4)C2)C3)n1 101686702 MBTDZIFTBPGHFA-SNEKZUEESA-N 369.444 3.445 0 1 FGAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C(C)(C)O)C=CC=C3CO 102394349 BPZFTYYQDTYXJB-SQBLYHGDSA-N 368.473 3.476 0 1 FGAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C=O)[C@H]12 26733559 RNBMJTUDVDLVNT-ICSRJNTNSA-N 351.406 3.193 0 1 FGAF COCC=C(C)C=C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O 2356711146 KOMLQPBMYPUDGX-VQHSRYPXSA-N 352.515 3.071 0 1 FGAF CN1CCc2cn(c3ccccc23)[C@@]23CCN(C)[C@@H]2N(C1)c1ccccc13 2356737192 CFBZKRHPISLXCY-DHIUTWEWSA-N 358.489 3.312 0 1 FGAF COc1cc2c(C(=O)N3CCCCC3)cn(CC(C)C)c(=O)c2cc1OC 33834463 SLSGLWRFNDMPGX-UHFFFAOYSA-N 372.465 3.301 0 1 FGAF O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3cccc(C4CC4)c3CCN12 149155096 FJMUBIPCGBRIPD-UHFFFAOYSA-N 368.387 3.384 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CCC2)[C@H](C4)[C@H]3[C@H]1C 195179607 HWXCULOUOMXWMG-QXJIDGCMSA-N 367.489 3.293 0 1 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2[nH]ccc2c1 299825230 XRAZUPFPFRSEAN-UHFFFAOYSA-N 358.357 3.263 0 1 FGAF CN1N=C[C@H]2C(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)=CC=C[C@@H]21 299835448 WAIPIFZBMQMMTA-UAGQMJEPSA-N 370.428 3.097 0 1 FGAF CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(-c2ccccn2)n1 299833060 HHYRNIOVCYHYQO-UHFFFAOYSA-N 366.400 3.290 0 1 FGAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)s1 587015024 VWQKAWWAUNUBFG-VIFPVBQESA-N 367.452 3.339 0 1 FGAF Cc1cc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Br 586975970 HPSKJLVFAWWERN-UHFFFAOYSA-N 369.226 3.200 0 1 FGAF COCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 587409808 UKHDSZBUUOMWLX-KRWDZBQOSA-N 371.389 3.038 0 1 FGAF COC(=O)[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398103 BNACTQLKAKFKSB-KPZWWZAWSA-N 355.390 3.224 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2N)N1 587743319 CYCAOOFOYMQNQZ-JDNHERCYSA-N 350.235 3.363 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155501 MRKZHPMDGQHWIY-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]1[C@@H]5C(=O)[C@@H]42 587488552 KNWWLOZHVAIBBO-XIBRGVHPSA-N 350.414 3.006 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781200 SDHQQUPEXAKKLO-JXMROGBWSA-N 371.462 3.043 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)C(C)(C)C 587204811 LUUMQQZGTCQNET-VIFPVBQESA-N 353.854 3.488 0 1 FGAF CC1=C(c2ccc3nc(COc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587169763 JZOUZAJPNACQIG-UHFFFAOYSA-N 352.369 3.037 0 1 FGAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587950948 FJDIDZXHVKEZFF-OBJOEFQTSA-N 351.472 3.257 0 1 FGAF O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587600929 BZITYTUFYHFYFH-SNUQEOBHSA-N 350.370 3.482 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587816723 CANJKVSBYJNDPT-TVNTUTRRSA-N 368.246 3.276 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(N4CCOCC4)c1)[C@@H](C2)C3=O 587424699 SJQBUPYMAXNNOY-BTYIYWSLSA-N 369.392 3.160 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586890908 PQMBQMDSWQRMGL-MNUAXYBXSA-N 359.495 3.281 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403863 SHVCQSUCOOMBDB-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CN3CCC2CC3)[C@H]1c1ccc(F)cc1 587343367 BDDNEVIURXGBAZ-FPOVZHCZSA-N 353.393 3.355 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587059979 WZWBFCFFUFQUSS-CQSZACIVSA-N 363.870 3.252 0 1 FGAF COc1ccc2c(c1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)N(C(C)C)CC2 962085996 BHOQIFQYSUROJZ-NRFANRHFSA-N 365.477 3.242 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O 13837078 HZBQZRYBXKBYMJ-OMNKJVMTSA-N 372.527 3.038 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCC(=O)O 15060595 ZOCFIYOANZRNDX-VOMLHDSDSA-N 354.487 3.043 0 1 FGAF COc1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857566236 UPMCMHNJWBLBMF-KRWDZBQOSA-N 370.430 3.043 0 1 FGAF c1cn(-c2ccc(O[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1 3819335 WZGVPRAMPUCENN-LJQANCHMSA-N 363.417 3.254 0 1 FGAF Cc1c(N2CCC[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918390 MRLBHFVQGRTBHZ-NSHDSACASA-N 355.438 3.162 0 1 FGAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)OCC(=O)N(C)C)(C4)C2)C3)cc1 102264380 YMPGALJTIQMYBQ-UOBYYGQQSA-N 355.478 3.464 0 1 FGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21 117689340 UAYPDTAQGNMZQJ-GFCCVEGCSA-N 373.416 3.085 0 1 FGAF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O 2356600522 OSTWBWVLHIOYRT-PMACEKPBSA-N 370.401 3.292 0 1 FGAF C[C@H]1CCCCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 35930584 QRCDVMTVNXZJMW-FZMZJTMJSA-N 351.390 3.020 0 1 FGAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 5158957 AMCPULFLJZMXJI-CQSZACIVSA-N 356.374 3.377 0 1 FGAF biogenic CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OCc1ccccc12 35951009 ONGCGJBTVIZKLI-UHFFFAOYSA-N 357.498 3.046 0 1 FGAF CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2C[C@@H]1CCCO1 72110206 NWUDYGOFOPJHIU-ZDUSSCGKSA-N 350.484 3.306 0 1 FGAF CCN(CC)CC[C@H]1CN(C(=O)c2cccs2)CC[C@H]1CC(=O)O 20462911 YMJWOQAFINRAFX-GJZGRUSLSA-N 352.500 3.033 0 1 FGAF biogenic NC1=N[C@@]2(CS1)c1cc(Br)ccc1CC21CCC(O)CC1 140628887 MYWBDJIEALSXOQ-MOQPWLNLSA-N 367.312 3.183 0 1 FGAF CO[C@@H]1CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C 144047618 RORTXKIKOLHPKX-QGZVFWFLSA-N 354.381 3.371 0 1 FGAF N[C@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@H]1c1cc(F)c(F)cc1F 253660969 VMMSXEPJIRGODV-KSSFIOAISA-N 370.378 3.492 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299874512 BNDMIFGDAPNZCD-CKNFYHOISA-N 372.490 3.363 0 1 FGAF CS(=O)(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165027 JMXKEMRPTPGVPI-UHFFFAOYSA-N 370.409 3.017 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587720323 MOLLPQWJQAHUBG-MIUALZABSA-N 362.214 3.239 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2CNC=O)N1 587743084 NUKPFRADZSRXHZ-ZUCKAHLUSA-N 369.278 3.254 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCO3 587066396 BHBPKMOFEJFGTN-UHFFFAOYSA-N 360.753 3.345 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587076576 MXAIMMYOHCVRME-CYBMUJFWSA-N 356.769 3.015 0 1 FGAF O=C1C[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)CN1Cc1ccc(F)cc1F 587147964 DOZGNMVCUNRJPV-LLVKDONJSA-N 371.343 3.086 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccn1CC(=O)OCC)CC2=O 587468985 CDUXWNZGLGYCEY-SFHVURJKSA-N 357.406 3.416 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C(=O)O)ccc2OC1(C)C 587414990 XGTSOGYGMUSHTB-FQEVSTJZSA-N 353.374 3.307 0 1 FGAF OCCc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007838 SUCLULJSNUPKQS-UHFFFAOYSA-N 357.211 3.404 0 1 FGAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)CN1C 587580305 BXHGISQXQNCNQY-PHAJSTNCSA-N 353.418 3.453 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2sc(-c3ccccc3)cc12 1772620195 HHWDOWKTGCTPAP-ZDUSSCGKSA-N 352.463 3.226 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@H](=O)O 13470217 AVGLHCULUVOTRL-LYDKCQJDSA-N 374.458 3.035 0 1 FGAF COc1ccc2[nH]c([S@](=O)Cc3nccc(OC(C)C)c3C)nc2c1 13603902 MEDNYXVFCDNDOW-VWLOTQADSA-N 359.451 3.370 0 1 FGAF COC(=O)c1ccccc1-c1ccc2c(=O)cc(N3CCOCC3)oc2c1 13677146 ZGIBLVSMFOEOKY-UHFFFAOYSA-N 365.385 3.083 0 1 FGAF N[C@@](CCCC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777303 IYRWSFHVBKPEBA-CNNODRBYSA-N 367.445 3.492 0 1 FGAF CC1=NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc2[nH]ncc2c1 169685542 ANFRYCSWUISTKS-IAGOWNOFSA-N 365.368 3.182 0 1 FGAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1ccccn1 165964084 ZLBKXZIIVTYRFK-UHFFFAOYSA-N 366.465 3.097 0 1 FGAF CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758420 RZCLZBAXRQXJNE-QGZVFWFLSA-N 367.449 3.229 0 1 FGAF O=C(NC1CCCCC1)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2 58012646 JKWIZPLNSDXSNA-LJQANCHMSA-N 358.482 3.016 0 3 FGAF Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1 100896012 YNEJNUAUXPCFAS-GASCZTMLSA-N 353.401 3.204 0 1 FGAF O=c1c2ccccc2n2c(CN3CCCCC3)nnc2n1Cc1ccccc1 28648711 DQDHLWPGZYNVSJ-UHFFFAOYSA-N 373.460 3.078 0 1 FGAF CCC(C)=CC(=O)O[C@H]1[C@@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C[C@H]1O 2356460118 JYNXJPVNPSRXFL-ZDNLNTGMSA-N 362.466 3.313 0 1 FGAF CC(C)c1csc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)n1 20541177 GXYGMYVYRCYUNI-IBGZPJMESA-N 373.566 3.378 0 3 FGAF COc1cccc(CNc2ncnc3c2CN(c2ccc(C)cn2)CC3)c1 35077823 VRHHZTYCWGFIIU-UHFFFAOYSA-N 361.449 3.363 0 1 FGAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)N(CC)CC 8299882 MFJYICDXZCAPHO-GJZGRUSLSA-N 365.905 3.482 0 1 FGAF biogenic COc1ccc(OC)c(CCNc2nc(N3CCSCC3)ncc2C)c1 82202825 UNVZJBCJNAPBIW-UHFFFAOYSA-N 374.510 3.010 0 1 FGAF COC(=O)N1CC[C@@H]2Nc3c(Br)c(C)c(OC)c(C)c3[C@@H]2C1 40563833 XLFYUKCBTCDERW-MNOVXSKESA-N 369.259 3.424 0 1 FGAF Nc1nc(O[C@H]2CC[C@@H]3CCCC[C@@H]3C2)nc2c1ncn2[C@@H]1CCCO1 43129555 QGZKDFNFCTXEHY-XGUBFFRZSA-N 357.458 3.455 0 1 FGAF O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 49785677 HAOXLWHTJOXRAS-KSMMKXTCSA-N 360.413 3.406 0 1 FGAF CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C 142745702 GPSCMUMAFNLGBT-UHFFFAOYSA-N 355.829 3.275 0 1 FGAF O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(F)cccc1Cl 96929467 FUMRKDIKPPCMOS-JOYOIKCWSA-N 351.740 3.423 0 1 FGAF Cn1nccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 621431874 VWBTURLIRDUMDZ-UHFFFAOYSA-N 368.347 3.320 0 1 FGAF CCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)NC1CCCCC1 299869037 TUNIPIBAZOBFCH-UHFFFAOYSA-N 360.863 3.059 0 1 FGAF COc1ccc2c(OCCn3c(=O)oc4cc(OC)ccc43)ccnc2c1 653722884 MLDIMXUBGVKFTF-UHFFFAOYSA-N 366.373 3.239 0 1 FGAF CC[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582444 PRLQPCIVUPVTRA-FXAWDEMLSA-N 350.374 3.393 0 1 FGAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)nn1-c1ccccc1F 587155395 FVKOLFSZESUORX-UHFFFAOYSA-N 352.325 3.292 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522439 LXWYRPFMGHJKRZ-HRAATJIYSA-N 356.418 3.202 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccccc12 587797296 WEIHNQYOEAYVTR-VVVCHXIZSA-N 361.214 3.318 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(OC)cc21 587478538 AXQAWJCXMBFCDJ-OAQYLSRUSA-N 367.401 3.475 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2csc(CCN3CCCCC3)n2)cc1 587923746 JTBYUQGSGOVESS-UHFFFAOYSA-N 365.524 3.210 0 1 FGAF COc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1OC 587175886 XOCUSRWBXDPLDQ-ZDUSSCGKSA-N 354.385 3.443 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(O)CC4)cc1)[C@@H](C2)C3=O 587440979 CHALOVSBONAWEH-PGRDOPGGSA-N 365.429 3.145 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1COCCO1 587858525 ITYASYFNSQYDQM-AWEZNQCLSA-N 371.220 3.311 0 1 FGAF COc1ccc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cc1O 587786635 MUWUKEOTZFPCBA-UHFFFAOYSA-N 367.796 3.419 0 1 FGAF COC(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1OC 586878717 GXDTYJKYPLGVCL-JXMROGBWSA-N 352.346 3.227 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCN(C)N=O)(c1cccnc1)O2 587387643 QVDTZQZGSDMFIM-LJQANCHMSA-N 354.410 3.226 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NCc1ccc(F)cc1)[C@@H](C2)C3=O 587429815 XCXNHXIBUDGATG-HRAATJIYSA-N 369.392 3.047 0 1 FGAF CCOC(=O)[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597172 PXBMSIMMZANEPK-SLSDUTBNSA-N 356.374 3.312 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(O)cc3Br)c3cccc1c32 963017484 BSRGIVBJOVOXQG-MLCYQJTMSA-N 373.250 3.297 0 1 FGAF CCNc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772597498 PHZCILVCQFXDJJ-LLVKDONJSA-N 354.414 3.281 0 1 FGAF CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2cccnc21 5842332 QSEZKNHRUQRMIL-UHFFFAOYSA-N 359.433 3.405 0 1 FGAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 15848220 DLJKPYFALUEJCK-NIOSPIBVSA-N 368.514 3.433 0 1 FGAF O=C(CC1(c2ccc(F)cc2)[C@H]2CC3C[C@H]1CC(F)(C3)C2)N1CC(O)C1 202367948 UGAALVJGAGISCH-WOWGROEGSA-N 361.432 3.205 0 1 FGAF COc1cccc2c1CN(CC[C@H]1CC[C@H](NC(=O)N(C)C)CC1)CC2 1857559604 IRDMBFZIMHZPDM-SAABIXHNSA-N 359.514 3.273 0 1 FGAF CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@@H]2C[C@H]2C1=O 103260432 JFRUETNFZHUWLL-WOJBJXKFSA-N 367.493 3.285 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)[C@@H]1CC[C@@H](C2)N1 100632741 VHNJTFTZTKPJJW-SJCJKPOMSA-N 370.449 3.499 0 1 FGAF CCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1C 103178233 MHOOVMFOTFNYEF-UHFFFAOYSA-N 360.845 3.447 0 1 FGAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@](C)(O)[C@@H]12 119257103 OCPGSVYCKLXPSO-LBYVLCFASA-N 362.510 3.293 0 1 FGAF in-man CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356637946 LTCIULAHFYIQFG-KGLIPLIRSA-N 357.454 3.091 0 1 FGAF COC(=O)CCc1c(N2CCOCC2)c(-c2ccc(Cl)cc2)cn1C 27845591 SLXIXSASESZRMK-UHFFFAOYSA-N 362.857 3.288 0 1 FGAF COc1cnc2c(O)c3c(c(OC)c2c1)CN(Cc1ccc(F)cc1)C3=O 34849727 NQHLSBKNTGZGQE-UHFFFAOYSA-N 368.364 3.253 0 1 FGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1ccccc1 49036848 PHPQEIFINWDHDD-HOTGVXAUSA-N 367.836 3.123 0 1 FGAF COc1ccc(C2(C(=S)NCCCn3cncc3C)CC2)cc1OC 45318414 OGHXVAKUSIYDSB-UHFFFAOYSA-N 359.495 3.248 0 1 FGAF CCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40897714 MZLKRCNMPJIDPD-UKRRQHHQSA-N 366.849 3.091 0 1 FGAF CCOCn1c(Sc2c(Cl)cccc2Cl)c(C)c(=O)[nH]c1=O 84670430 QMNGKTDEQFOSDF-UHFFFAOYSA-N 361.250 3.297 0 1 FGAF O=C(NC1CCCCC1)[C@@H]1COC(c2ccc(OC(F)(F)F)cc2)=N1 95561586 ASTNMHDDVAHIKB-AWEZNQCLSA-N 356.344 3.180 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)cc1)O2 587398021 DICKVUDCBGRYGT-HXUWFJFHSA-N 351.450 3.036 0 1 FGAF COc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C 587760317 XRMCCGUROBKVSB-GLEZIHRCSA-N 368.250 3.262 0 1 FGAF [O-][n+]1ccccc1SCc1nc2cc(F)cc(Br)c2[nH]1 586968651 BPMGMOMGCKICDK-UHFFFAOYSA-N 354.204 3.390 0 1 FGAF O=C([C@@H]1CCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656596 NVTRHTAHNQOUJG-INIZCTEOSA-N 356.328 3.161 0 1 FGAF CCCc1c(O)ccc2c1O[C@](Cn1cncn1)(C1(Cl)CC1)CC2=O 587462024 VWBUFOBJLLNMQE-GOSISDBHSA-N 361.829 3.112 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)O)c2)N1 587791317 LKXADYVHDIXUGL-BCTVWOGZSA-N 367.218 3.412 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cnccn1 587656138 GHFDYQZNRCWXJP-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397515 BJZPLOLKAXHWEJ-LOIAUBITSA-N 372.465 3.414 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2cccs2)N1 587849120 QQLKHIKQKXUCQC-RFAUZJTJSA-N 355.276 3.386 0 1 FGAF COc1cncc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587225437 WINGKRTXMFTLOW-GOSISDBHSA-N 358.401 3.486 0 1 FGAF CCOC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516542 DATBMHBDEPICAR-SFHVURJKSA-N 354.406 3.032 0 1 FGAF O=C1Nc2cc(O)ccc2[C@]12c1ccsc1CCN2Cc1cccnc1 962996234 HUCBTOFDEUGPHM-FQEVSTJZSA-N 363.442 3.103 0 1 FGAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(OC)c1O 962622815 CIYUEHJDFVZDLN-HXPMCKFVSA-N 373.449 3.392 0 1 FGAF CCn1cnc(Cl)c1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759674 CPMPASAWYRVMQI-RYUDHWBXSA-N 357.763 3.292 0 1 FGAF COc1cc(-c2nc3c(nc(C)c4ccc(O)nc43)o2)cc(OC)c1OC 1857551296 FNFFYMXRVKTJDP-UHFFFAOYSA-N 367.361 3.478 0 1 FGAF Cc1ccc(N2C[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)CC2=O)cc1 6823025 FKGHSDHIEDDXRQ-AWEZNQCLSA-N 363.373 3.294 0 1 FGAF O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 104388082 YKFWAKMOOYQKRM-UFYCRDLUSA-N 371.396 3.133 0 1 FGAF O=C(NCc1ccccc1)[C@@H](CCO)N1CCC(Cc2ccccc2)CC1 66101131 QBXQUHDWRHHXNO-JOCHJYFZSA-N 366.505 3.009 0 1 FGAF CN(Cc1cccc2ccccc12)C(=O)[C@@H](O)[C@H](N)CCc1ccccc1 27898354 WHKJZWLPTBXGPV-YADHBBJMSA-N 362.473 3.119 0 1 FGAF COc1ccc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc1OC 27517367 BUERDDLQBFJZQM-FQEVSTJZSA-N 369.421 3.009 0 1 FGAF CCC(=O)O[C@H]1CC=C(C)CCC2=C(COC(C)=O)C(=O)O[C@H]2C=C1C 2356563371 ZHSMTXSVUWPNHP-ROUUACIJSA-N 362.422 3.170 0 1 FGAF C[C@H](O)CC(=O)c1c(O)ccc([C@H]2C[C@H](C)Oc3cccc(O)c32)c1O 2356720406 ZBJNIZLABZVQSD-GMXVVIOVSA-N 358.390 3.060 0 1 FGAF COc1ccc2cc3n(c(=O)c2c1OC)CC=Cc1cc2c(cc1-3)OCO2 72118334 QMRSBPQDFKHEBN-UHFFFAOYSA-N 363.369 3.441 0 1 FGAF Cc1cc(Nc2nn(Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)n[nH]1 35906918 FULBCSTUNJDMJE-UHFFFAOYSA-N 367.359 3.498 0 1 FGAF Cc1c([C@@H](C)OC(=O)CCC(=O)O)oc2cc(C3=CC(=O)OC3)ccc12 72266764 FEOCZXGTZPIZIQ-LLVKDONJSA-N 358.346 3.150 0 1 FGAF in-man CN(C)[C@@H]1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1 36423597 CWBIPQBBUVOYGP-MRXNPFEDSA-N 354.475 3.297 0 1 FGAF CN1O[C@@](C)(CC(=O)NCc2ccc(F)c(Cl)c2)N=C1c1ccco1 74374081 YADZKHJBORVEDH-KRWDZBQOSA-N 365.792 3.118 0 3 FGAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(Cl)nc12 139501641 AQQDLZIGRLPDMC-UHFFFAOYSA-N 371.807 3.176 0 1 FGAF CC1(C)C[C@H](C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1 40640266 OZEWZMGIBSITAA-OAHLLOKOSA-N 351.922 3.103 0 1 FGAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C 238786063 FUUBZHATRHDAMW-BZDLTFJRSA-N 350.455 3.169 0 1 FGAF COC(=O)c1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1 230567294 MZUXUSWQDWDJOK-UHFFFAOYSA-N 359.389 3.190 0 1 FGAF C[C@@H](CC(=O)O)NCCOCCN1c2ccccc2CCc2ccccc21 96929381 ZOIPJVQREOAZBU-KRWDZBQOSA-N 368.477 3.393 0 1 FGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12C1CC1 299829426 USAWBAPUMNWUSQ-HXUWFJFHSA-N 354.356 3.139 0 1 FGAF CC[C@]1(c2cncn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574908 CQXZYYYUSVUMGN-YLJYHZDGSA-N 350.374 3.393 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)(C2CC2)N1 587832327 JMFXNGUMDMUOBA-BTDLBPIBSA-N 370.262 3.491 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(C)nccc4[nH]3)cc12 587038990 WJMVDHFGVWNXII-SNVBAGLBSA-N 354.439 3.014 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccncc3)c2c1 587649211 LUELVUSJLNGTBO-UHFFFAOYSA-N 368.336 3.216 0 1 FGAF COC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990214 BDGGBDFVTHECGA-NSHDSACASA-N 359.381 3.430 0 1 FGAF CN1CCN(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512975 HDEFGZUNWDQZKJ-FQEVSTJZSA-N 356.510 3.173 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(C)cc1 587207354 RHOJOEZAKFCBKT-ZDUSSCGKSA-N 373.254 3.449 0 1 FGAF COC(=O)/C(=C1\OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccccc1 6018222 KXQKSBAGVQMQSN-VLGSPTGOSA-N 352.342 3.105 0 1 FGAF O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCSCC1 12076649 QESOVQBFJKDCAE-UHFFFAOYSA-N 372.368 3.461 0 3 FGAF CC(=O)N(C)Cc1cccc(C(=O)N(C)Cc2cc3ccccc3n2C)c1 13475039 RMNMNSNCWZYBEG-UHFFFAOYSA-N 363.461 3.429 0 1 FGAF NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1 13534218 FJIIFJMUKPRFTH-UZLBHIALSA-N 360.404 3.407 0 1 FGAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(-c3ccco3)[nH]2)cc1 169317577 PJJONAWJSHFNDB-HNNXBMFYSA-N 355.438 3.465 0 1 FGAF CCCCC[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622144 QJADFBZNTPJMDY-KYTOGMRYSA-N 352.471 3.251 0 1 FGAF O=C1N=C2/C(=C/c3ccc(F)cc3)CNC[C@@H]2[C@H](c2ccc(F)cc2)N1 169729993 HJBLYLSJADESHN-OZNDBLHSSA-N 353.372 3.473 0 1 FGAF OC[C@@H]1CCCCN1c1nc2ccccc2c(=NCCc2ccccc2)[nH]1 1857550646 FWHBMKVZCMNZSJ-SFHVURJKSA-N 362.477 3.058 0 1 FGAF COc1ccccc1CNC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1 769244 RINAZBSDTQQUKX-IBGZPJMESA-N 358.825 3.406 0 1 FGAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1ccc(F)cc1 770552 QXTYIVIYBPCQDC-NRFANRHFSA-N 370.424 3.324 0 1 FGAF CC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 1549938 BYZYEDFJORVPIA-FZKQIMNGSA-N 371.458 3.134 0 1 FGAF CCC1=NN(C(=O)c2cccnc2)[C@](O)(c2ccc(Br)cc2)C1 4201231 KZXXNPJBVAJXOU-QGZVFWFLSA-N 374.238 3.301 0 1 FGAF O=C(Nc1ccccn1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 100091479 MEFFZFPAANBURZ-HUUCEWRRSA-N 371.462 3.083 0 1 FGAF Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3ccccc23)nn1C 61926492 DWCOXAGDDVXBKY-NRFANRHFSA-N 362.433 3.125 0 3 FGAF CCOc1cccc([C@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65432047 PWCJTHVEIBHOLJ-OAHLLOKOSA-N 357.479 3.294 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@]32C 2356594222 MSKATEQDOFAFJJ-FSSWDIPSSA-N 368.477 3.127 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1C(=O)NC(=O)[C@H]1CC=CC[C@H](C)CC(=O)O 2356626947 QKFPKSFDJQKEKM-QAETUUGQSA-N 367.486 3.044 0 1 FGAF CCN1CC(C(=O)N[C@@H]2CCc3cc(-c4ccccc4)ccc32)=C(O)C1=O 219154615 BELHBDAPHQNEMY-LJQANCHMSA-N 362.429 3.131 0 1 FGAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1OC)CC2=O 14643265 HZWSAUOBLMSNPL-OAHLLOKOSA-N 374.389 3.436 0 1 FGAF biogenic O=C(O)Cn1c2c(c3cc(F)ccc31)CCN(Cc1ccc(F)cc1)C2=O 73197317 FLAUJYDYJZIENE-UHFFFAOYSA-N 370.355 3.203 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2nsnc2c1=O 49067289 NGHJNYKOMAXVNF-UHFFFAOYSA-N 363.398 3.267 0 1 FGAF CCCn1c(-c2ccccc2OC)nc2ccc(N3CCN(C)CC3)nc21 95584082 CIPPTSUPVBOLJO-UHFFFAOYSA-N 365.481 3.269 0 1 FGAF O=C1[C@@H]2[C@@H](c3ccccc3)N3CCC[C@@H]3[C@@H]2C(=O)N1Cc1ccc(F)cc1 96941628 JRWGGFAAWXEFJO-FUMNGEBKSA-N 364.420 3.146 0 1 FGAF CCOC(=O)/C=C/c1ccc(OC)c(OC(=O)c2nc(C)c(C)nc2C)c1 473135653 QWNRXCZNUSUENT-CSKARUKUSA-N 370.405 3.206 0 1 FGAF Nc1nc(N)nc(-c2ccc(Oc3ccc(Br)cc3)cc2)n1 653766389 VNNANMJCORVTFV-UHFFFAOYSA-N 358.199 3.258 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@@H]4CO4)cc1)[C@@H](C2)C3=O 587452531 DQVBWCDGLBDNET-WWMYMODYSA-N 352.386 3.136 0 1 FGAF Nc1ccnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984370 JTAVBKGYUINLHW-OAHLLOKOSA-N 372.270 3.488 0 1 FGAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587389354 KALIIJBADMICLE-FQEVSTJZSA-N 352.390 3.179 0 1 FGAF COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426488 CGGFPLMAYHAAPC-JXFKEZNVSA-N 356.349 3.040 0 1 FGAF CN(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337277 BIKFRQFESUUSSD-IBGZPJMESA-N 370.424 3.201 0 1 FGAF COc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587773435 ILSTVUVNKFQISG-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOC[C@@H]1OCc1ccccc1)O2 587411861 KXXNKDOYJRJRJW-PZJWPPBQSA-N 353.418 3.287 0 1 FGAF COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H]1N(Cc1ccccc1)C4)[C@@H](C2)C3=O 587435437 GFHIPGTVXJDALR-RHQHVJKBSA-N 361.441 3.476 0 1 FGAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530360 SYIIJEWDNQQSNL-UZQPLGKSSA-N 368.429 3.359 0 1 FGAF CC(=O)Oc1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962712998 OXCGIHXZSIAEAZ-SJORKVTESA-N 363.335 3.347 0 1 FGAF COc1ccc(CNc2nc(NC(C)=O)nc3ccccc23)cc1OC 1772615738 VKTRQOIHJBCMRN-UHFFFAOYSA-N 352.394 3.218 0 1 FGAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3CCCC3)cc21 5058533 UZYLNFKMZJSFLI-AREMUKBSSA-N 368.458 3.069 0 3 FGAF COc1ccc([C@H](F)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 13438920 HXCANBPCZKWFKE-GOSISDBHSA-N 368.408 3.442 0 1 FGAF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](C(=O)OCCF)[C@H]3[C@@H]1CC[C@@H]2O 13518413 DSAYCGAMZOGQKZ-STRCNMCHSA-N 362.441 3.348 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@H]12)[C@@](O)(CO)C3 14857740 AQBWFAPCQQHZPV-SBXZOHCASA-N 350.499 3.296 0 1 FGAF COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(F)c2)c1 1343293 GLFLQIOSZRRMMB-KRWDZBQOSA-N 357.385 3.469 0 3 FGAF C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1sc2ccccc2c1=O 6799965 AGTFMQQABKBXGB-CYBMUJFWSA-N 365.458 3.464 0 1 FGAF COc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 22937903 WCIMNWWUWRWLBO-RBBKRZOGSA-N 370.468 3.021 0 1 FGAF CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@@H]2C1=O 103260463 IZLAOVPUDFOWQL-UXHICEINSA-N 367.493 3.285 0 1 FGAF CC(=O)Nc1ccc2c3ccccc3n(CCCN3CCN(C)CC3)c2c1 26183144 MCKPSTUIJGLAEI-UHFFFAOYSA-N 364.493 3.390 0 1 FGAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cncnc3)cs2)cc1 61926876 OKVIWUNLKOXTAM-GOSISDBHSA-N 354.435 3.008 0 3 FGAF Cc1csc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)n1 29321678 WWCOYKGGJVFNGO-UHFFFAOYSA-N 354.478 3.103 0 1 FGAF COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 14639527 XTOKXEQMTBIOGT-CQSZACIVSA-N 371.433 3.179 0 1 FGAF biogenic O=C1[C@H]2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2c1 73199004 QJSTUJJZIXYCAC-LJQANCHMSA-N 351.450 3.136 0 1 FGAF CC(C)(C)NC(=O)NC(=S)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 35000964 RETQUNDTWBSXKR-IONNQARKSA-N 366.314 3.076 0 1 FGAF CCc1nnc(CN(C)C(=O)[C@@H](CC)n2c(CC)nc3ccccc32)o1 95356218 SQFTUXQXQIPXJG-CQSZACIVSA-N 355.442 3.154 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587223706 DMVMFFRFAMSUCB-UHFFFAOYSA-N 355.394 3.222 0 1 FGAF C[C@@]1(c2cn3cccnc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590875 ZSGKCKLOQDDQNW-UWJYYQICSA-N 373.368 3.312 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cccc(O)c2[nH]1)C(F)(F)F 587093017 QFIDUBMNTXAEAV-MRXNPFEDSA-N 351.328 3.432 0 1 FGAF CCn1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cn1 587862942 MIQCDISEGHQYQR-UHFFFAOYSA-N 364.327 3.482 0 1 FGAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587048950 DLEDRBUUVZSMDN-UHFFFAOYSA-N 363.826 3.245 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 587244314 OMSXQMLRPYJITC-UHFFFAOYSA-N 351.362 3.150 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587232481 XTPZXMVUOMVUCK-NEPJUHHUSA-N 353.825 3.392 0 1 FGAF NS(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894575 MTTOHXSPJBEODQ-UHFFFAOYSA-N 367.515 3.256 0 1 FGAF COC(=O)c1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1OC 587016179 HNUJTFVFDABWRG-CYBMUJFWSA-N 359.407 3.333 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)cc2[nH]1 586963203 LQMKYSNUFSBAPI-ZDUSSCGKSA-N 358.423 3.397 0 1 FGAF Brc1cnc(Br)c2[nH]c(C3CC4(COC4)C3)nc12 586915457 DGHINFNBTRFUPV-UHFFFAOYSA-N 373.048 3.377 0 1 FGAF O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)NCCc2ccc(O)cc21 963343365 URWFXGCACWPZDJ-QFIPXVFZSA-N 361.397 3.234 0 1 FGAF C[C@H]1C(=O)OC=C[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962958971 PUJAAIOORGKHGC-KPZWWZAWSA-N 367.367 3.259 0 1 FGAF O=C(Nc1n[nH]c2nc(-c3nccs3)c(Br)cc12)C1CC1 13538640 OYEBWUJVTCQTJD-UHFFFAOYSA-N 364.228 3.192 0 1 FGAF CN1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccc2[nH]cc(CCN)c2c1 13603566 AGVADLPAQQHKAL-IBGZPJMESA-N 362.477 3.148 0 1 FGAF Cc1nc2cccc(Cl)c2c(N)c1CN[C@]1(C(F)(F)F)CCC(=O)O1 13864116 DPOLCLTVYZSWIA-OAHLLOKOSA-N 373.762 3.464 0 1 FGAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1)c1ccco1 164811747 CUPPSBXHFQGTCK-UHFFFAOYSA-N 371.360 3.255 0 1 FGAF O=C(Oc1cc(=O)oc2ccccc12)N1CCN(c2ccccc2)CC1 1857592451 KKZIJPWTADLPPA-UHFFFAOYSA-N 350.374 3.114 0 1 FGAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 1656443 ODUPYNQIZWDIOB-ZCNNSNEGSA-N 373.456 3.113 0 1 FGAF CC(=O)NCCNc1nc2cc(-c3ccccc3)sc2n2c(C)cnc12 28950751 SVMJMZFRTADBDH-UHFFFAOYSA-N 365.462 3.467 0 1 FGAF O=C(CN(Cc1cccs1)C(=O)c1cccnc1)NC1CCCCC1 66148859 QVUJDKPPFHCUSF-UHFFFAOYSA-N 357.479 3.234 0 1 FGAF NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 66259570 YSXGNIUKUJNNPR-UHFFFAOYSA-N 356.861 3.049 0 1 FGAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(CCO)CC1 28005376 LHNSMNJYYGYDON-UHFFFAOYSA-N 374.485 3.195 0 1 FGAF CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1 26955536 WXNZQOBCZBIWFX-UHFFFAOYSA-N 368.458 3.478 0 1 FGAF C[C@H]1CN(c2ncccc2C(=O)Nc2cccc3c2CCCC3)CCN1 39229722 JNRNLOKSXSAISI-HNNXBMFYSA-N 350.466 3.011 0 1 FGAF CC(C)CCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 115624299 OQIVTDKLOVPFHK-UHFFFAOYSA-N 354.458 3.058 0 1 FGAF O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccs1)CC2 35966370 VXAZUHZNPMCSLD-UHFFFAOYSA-N 358.394 3.125 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C 136230136 OJRBXDNIVPJMHE-MLGOLLRUSA-N 361.463 3.496 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(O)c4)ccc31)[C@@H]1CC[C@H](C2)N1 82153368 JEYBNNVZHSMLCJ-PXAZEXFGSA-N 368.458 3.066 0 1 FGAF COc1cccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)c1 223244911 CDOOYSVGDLXLDQ-UHFFFAOYSA-N 352.346 3.369 0 1 FGAF CC[C@@H](CCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)c(Cl)c1 45228794 AEZXDRYDBUGWAL-JTQLQIEISA-N 372.300 3.490 0 1 FGAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 40421724 WOICWQUYMWGJJH-DGJFXRHUSA-N 374.433 3.037 0 1 FGAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1 84670381 SXNWYNLIUCPPSX-UHFFFAOYSA-N 357.391 3.066 0 1 FGAF CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(Cl)cc1 95894135 CSCIRBUGACPBAT-AABGKKOBSA-N 356.853 3.035 0 1 FGAF COc1ccc(-c2c(OC)oc3c(O)c(OC)c(OC)cc3c2=O)cc1 238746064 WRVJEWMTXQQCMR-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COC(=O)[C@@]12C[C@@H](C)[C@H]3[C@H](C)[C@@H](c4ccccc4[C@H]31)N2C(=O)C(F)(F)F 299813609 CTAGORHSTSPKPD-GJSSMICOSA-N 367.367 3.433 0 1 FGAF c1ccc(COC[C@H]2CCC[C@]23CN(Cc2nccs2)CCO3)nc1 299841735 DKVUBXFFNPMLEF-APWZRJJASA-N 359.495 3.126 0 1 FGAF CN1CCN(c2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)CC1 587059988 XEURDHDPCJUNML-SFHVURJKSA-N 356.857 3.050 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2cc1OC 587167824 XLXKJAMFJRSUPH-FPLPWBNLSA-N 369.352 3.149 0 1 FGAF C[C@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592406 YMHFOHLXQCELHO-OXJNMPFZSA-N 365.341 3.296 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)O)nn4ccccc14)[C@@H](C2)C3=O 587436797 UBPMUAADXATLTC-DJJJIMSYSA-N 364.401 3.059 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cnn(C)c4)s1)[C@@H](C2)C3=O 587452448 NGYSKOPZRHNMJY-SJCJKPOMSA-N 353.403 3.041 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573127 RQTVUECVZCDXRO-UWJYYQICSA-N 369.417 3.273 0 1 FGAF O=C(NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587569969 HPRMUNXIPRPAEH-WMZOPIPTSA-N 367.401 3.029 0 1 FGAF COC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614010 ZYOWOGLVDNWPCM-RXVVDRJESA-N 370.401 3.166 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)c(F)c2[nH]1 587193934 IYYZVTAGUQFLHO-LBPRGKRZSA-N 354.401 3.359 0 1 FGAF COc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2n1 587073382 HHZMWBFFTNGKRM-UHFFFAOYSA-N 354.801 3.235 0 1 FGAF CCOC(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517405 MRXJPTGABGSTQB-OAQYLSRUSA-N 368.433 3.113 0 1 FGAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C=C(c2ccccc2F)NO1 587156645 OQGMRFYPDSQAIB-LJQANCHMSA-N 353.353 3.264 0 1 FGAF COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)O)=C2 13553863 RJEKJGXVGKLMFE-SFHVURJKSA-N 372.373 3.323 0 1 FGAF O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2c2ccccc2)[C@]12CO2 169370804 UOJNGNCLTBEZAO-RTWAVKEYSA-N 352.171 3.077 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccc(Cl)cc2)nn1 203462657 QQPDMEATWUBPOX-UHFFFAOYSA-N 370.840 3.449 0 3 FGAF CNC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1 29136280 OBJGSMUQARVNEZ-UHFFFAOYSA-N 364.401 3.429 0 1 FGAF CN1C(=O)/C(=C\c2cccc(-c3cc(=O)c4ccccc4o3)c2)N(C)C1=O 103286052 SMURQXCHERUXPR-LFIBNONCSA-N 360.369 3.325 0 1 FGAF Cc1cccc(C)c1Nc1nc2ccc(N3CCNCC3)nc2n2cncc12 28459741 AVAKRECUWUXYED-UHFFFAOYSA-N 373.464 3.048 0 1 FGAF CCCCCC[C@@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356317172 UELDUQRKWMQXCM-FXAWDEMLSA-N 362.422 3.016 0 1 FGAF CCN(Cc1ccncc1)[C@H]1CCCN(Cc2cccc3nonc23)C1 20996503 JDBMNVLHHJGFAI-SFHVURJKSA-N 351.454 3.104 0 1 FGAF CCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccc(F)cc1 71318012 MIOZRZOCPYZZAN-UHFFFAOYSA-N 368.408 3.003 0 1 FGAF COc1ccc(CC[n+]2ccc3c(OC)c(OC)c(OC)cc3c2)cc1 72104588 LQQOQWNCAZQDIV-UHFFFAOYSA-N 354.426 3.404 0 1 FGAF CC(C)Cc1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231332 FNQJXOZANFNETO-KUHUBIRLSA-N 366.465 3.075 0 1 FGAF COc1cc2c(c(OC)c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 142125210 YBCSGDGYLFQPLN-INIZCTEOSA-N 369.417 3.097 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)NCc1ccccc1 25427240 GLPGMMKOWDTXKZ-MSOLQXFVSA-N 354.450 3.474 0 1 FGAF biogenic C[C@@]1(c2cccc(OCC(=O)Nc3cccc(O)c3)c2)CCSC(N)=N1 96174294 JWPVAHGVVQVNCV-IBGZPJMESA-N 371.462 3.077 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O 587438762 HRUYRIOTGNIKDI-RBXYMLTMSA-N 354.358 3.036 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)ncc2[nH]1 587224448 INIZOOCAPIJART-JTQLQIEISA-N 364.327 3.060 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1C 587616403 JNFGVMVSHBVAIA-AGOBOLRFSA-N 354.358 3.064 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CC2)N1 587753978 ILVGPCFBYYGBFK-MGPLVRAMSA-N 369.278 3.470 0 1 FGAF COC(=O)CC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587812574 ZWGZGHMRKCRZKD-CYWKSYIRSA-N 356.235 3.291 0 1 FGAF Cn1nc(C(F)(F)F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587117550 KKTAXKOQNNRHLQ-UHFFFAOYSA-N 370.644 3.396 0 1 FGAF Cn1c(Cl)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552461 ROXDLURRRSXUGN-YOEHRIQHSA-N 356.765 3.482 0 1 FGAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2nc(Br)c[nH]c-2n1 587151669 USIWRBKRCQPCQR-LURJTMIESA-N 355.142 3.485 0 1 FGAF COC(=O)c1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1 587079529 IWNGTFJSJMTOMV-GFCCVEGCSA-N 369.812 3.122 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)c(OC)c1O)[C@@H](C2)C3=O 587441627 GHWSIKRPPKMBQG-BUXKBTBVSA-N 356.374 3.215 0 1 FGAF COc1ccc(Cc2c([C@H](OC)c3ccc(OC)cc3)nc(N)n2C)cc1 1772572314 UQAOYAIPBYWBTJ-HXUWFJFHSA-N 367.449 3.346 0 1 FGAF C[S@](=N)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772600110 LHRXBZPJRMGOAL-SANMLTNESA-N 367.434 3.014 0 1 FGAF CCc1ccc(CNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1 5004845 HVMDDPIGJXINHZ-UHFFFAOYSA-N 361.401 3.022 0 1 FGAF COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1 11536247 VDFBMQAUECXNKR-OAQYLSRUSA-N 351.450 3.230 0 1 FGAF in-vivo COC(=O)C[C@@]1(C/C=C(\C)CCC=C(C)C)C[C@H](O)[C@H](OC)CC1=O 15120574 AEWXJAHAEHUTIT-UXMVLNRPSA-N 352.471 3.358 0 1 FGAF biogenic,in-vitro COc1ccc2cccc(CCNC(=O)/C(Cl)=C(\Cl)C(=O)O)c2c1 169311998 JFBDCNBRKHVFQU-CCEZHUSRSA-N 368.216 3.281 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1[C@H](CCCC(=O)O)[C@@H](O)C[C@H]1O 169622199 ZOCFIYOANZRNDX-OSKTZCGQSA-N 354.487 3.043 0 1 FGAF CN(CCCNC(=O)[C@@]1(C)CON=C1c1ccccc1)c1ccccc1 2459523 ZDFSOKNQYCZSGY-NRFANRHFSA-N 351.450 3.070 0 1 FGAF CC(=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 2356411116 IBBYPUFMXQIMFO-YCRPNKLZSA-N 368.385 3.212 0 1 FGAF CCCNC(=O)CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101487665 SPZZQXFLVUPSCH-PWOYFNODSA-N 369.527 3.241 0 1 FGAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 100031333 MSKAFRMBWXTPHY-KXGFGANYSA-N 371.393 3.423 0 3 FGAF investigational CCN1C(=O)N/C(=C/c2cccc(-c3cc(=O)c4ccccc4o3)c2)C1=O 103286054 JRRRLYSEBTUTQF-LFIBNONCSA-N 360.369 3.373 0 1 FGAF COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cnccc3[nH]2)C[C@@H]1C(C)C 2356286545 DQXCKYJJWSDQHX-YESZJQIVSA-N 370.497 3.118 0 1 FGAF C[C@H](CCc1ccccc1)NC(=O)Cn1ncc2c3ccccc3nc-2c1O 103536013 WNVJEKJVQSBYDU-OAHLLOKOSA-N 374.444 3.379 0 1 FGAF CS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 26731598 CAYKPDOPNHVIFD-UHFFFAOYSA-N 359.325 3.067 0 1 FGAF COc1ccc([C@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251500 KLFAJLHIJQPMNJ-BBATYDOGSA-N 373.405 3.151 0 1 FGAF C/C=C(\C)C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 111956576 GLVOOJKVWKZSGR-DHINHOHASA-N 358.390 3.399 0 1 FGAF C[C@@H]1C(=O)[C@@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@@H]5OCCN5[C@H]1O[C@H]3C[C@@H]24 2356444105 KMPKDIXKHRSLMM-IDYPQITJSA-N 357.494 3.201 0 1 FGAF Cc1cc(C(=O)N2CCC[C@H](CN3CCC(C(F)(F)F)CC3)C2)no1 70725306 MVEHJLDUXSJWTP-CYBMUJFWSA-N 359.392 3.110 0 1 FGAF COc1c2ccoc2c(OC[C@H]2OC(=O)OC2(C)C)c2oc(=O)ccc12 13380833 AUIKCQMXBIJVEL-LLVKDONJSA-N 360.318 3.241 0 1 FGAF biogenic COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCCC3)n2)cc1 82066770 VGFRARSZPPHENY-UHFFFAOYSA-N 367.409 3.478 0 1 FGAF CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1 82140597 NDUNNQIHQHMCJJ-CYBMUJFWSA-N 360.433 3.259 0 1 FGAF CCN(C(=O)c1cccnc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96940011 RKHGCMKKENFLMZ-ZWKOTPCHSA-N 353.466 3.393 0 1 FGAF O=C(Nc1nc2cccnc2n1CCN1CCCC1)c1ccc(Cl)cc1 299857120 COPRXHFVKPODSK-UHFFFAOYSA-N 369.856 3.433 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1 587228444 MAHYFBSFWVFUHU-UHFFFAOYSA-N 374.347 3.340 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1c[nH][nH]c1=N)CC2=O 587492996 DWXCEBAHPKVRHX-LJQANCHMSA-N 369.446 3.451 0 1 FGAF C[C@]1(c2cc(CO)on2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349535 UXHDLOODORCOQN-UYAOXDASSA-N 369.348 3.286 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCC[C@H]1C2 587589683 PMIDIVYSURHWAA-XQAUZQBESA-N 351.402 3.351 0 1 FGAF COc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(Cl)n1 587083628 CNVZPLNKUJYALQ-UHFFFAOYSA-N 369.812 3.042 0 1 FGAF C[C@@H](Oc1ccc(F)cc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651113 CXRAMORHUSTFAO-SECBINFHSA-N 364.735 3.436 0 1 FGAF Cc1c(F)ccc2c1[C@@](CC(=O)C(F)(F)F)(c1cnn(C)c1C)NCC2 962296322 FZCPSMMNUFRTER-QGZVFWFLSA-N 369.362 3.087 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)c3ccco3)ncc12 1772611815 FVRKRXNHPFBYBK-QGZVFWFLSA-N 363.377 3.471 0 1 FGAF Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2Cc2ccoc2)cc1 11664693 TWQIKKMGZPTLOC-LJQANCHMSA-N 350.422 3.377 0 1 FGAF N#Cc1ncc2nc1OCCC=CCOc1ccc(Cl)cc1NC(=O)N2 253666929 RSLOGFWUCIDPEG-UHFFFAOYSA-N 371.784 3.363 0 1 FGAF c1ccc2c(c1)CCN(CCCNc1nc3ccccc3n3cnnc13)C2 4910232 DDNCFJVDHUFTSI-UHFFFAOYSA-N 358.449 3.138 0 3 FGAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 6521897 MUWAJWNBLUDFOR-UHFFFAOYSA-N 366.461 3.474 0 1 FGAF CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 58502198 LSBBDZONKRZXGY-UHFFFAOYSA-N 365.268 3.321 0 1 FGAF O=C(CCCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ncco1 29126175 FOJVBZBEEPVYPB-UHFFFAOYSA-N 362.451 3.129 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@@H]3CN4C[C@@H](C)[C@@H](CC[C@@]31CO)[C@@H]42 101430249 QXIYBJSJMAMZDQ-KPINYMTQSA-N 373.537 3.395 0 1 FGAF Oc1cc(F)cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 103256477 CGASUNSYFCYWKB-UHFFFAOYSA-N 366.352 3.119 0 1 FGAF CC1(C)[C@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@H]21 66139884 CEQFGBDWPIJQAJ-GASCZTMLSA-N 369.808 3.133 0 1 FGAF C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)C2=C(C)CCN2C1=O 85647393 GLVRWKXCUGFBKO-QGZVFWFLSA-N 363.461 3.179 0 1 FGAF biogenic COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c1 587638875 WUSNTBCLHXCDRR-UHFFFAOYSA-N 352.346 3.213 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)c(C)nn1C)O2 587376086 GUZJGWPWLCHSES-GFCCVEGCSA-N 350.216 3.088 0 1 FGAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587789524 DQDSUFHGBOIEMW-AYVTZFPOSA-N 367.218 3.327 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ncccn2)N1 587773389 IEIZBWZSVSLSTA-QLJPJBMISA-N 350.235 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(OC)cc(OC)cc1OC)[C@@H](C2)C3=O 587442121 IMGKDAUKQLZIHW-RBZFPXEDSA-N 356.374 3.210 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cc4cn[nH]c4cc3[nH]2)C(F)(F)F)n1 587093803 HBQMUEHBJHTWGI-CQSZACIVSA-N 367.356 3.197 0 1 FGAF C[C@@H]1OC=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587350993 HMQJSGISFWIOQW-PJFOTGOESA-N 354.333 3.131 0 1 FGAF COc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(OC)c1O 587784969 GIGCYCDXKAYZMV-UHFFFAOYSA-N 350.277 3.274 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587173818 AVZSOHMFSOIMFH-NSHDSACASA-N 350.357 3.008 0 1 FGAF COC(=O)CC(=O)NCCCNCc1ccc(-c2ccccc2)c(Cl)c1 584905140 MTDVIYKGVPWNHL-UHFFFAOYSA-N 374.868 3.166 0 1 FGAF in-vitro CC(=O)N[C@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1 586986673 ZHCBIAQDLQUARW-CQSZACIVSA-N 359.227 3.140 0 1 FGAF COC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418007 GGTBDGWKUXDPQP-KUHUBIRLSA-N 358.777 3.165 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 586949999 LMNQERNZCNBFPE-UHFFFAOYSA-N 371.249 3.227 0 1 FGAF CCOC(=O)[C@@H](CC(C)(C)C)[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962891496 BPYSHFSNXOATHG-JYJNAYRXSA-N 351.418 3.081 0 1 FGAF COCC[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239493 XBJYBBDEBIXVNS-IRLDBZIGSA-N 362.429 3.114 0 1 FGAF COc1cc(C)c2c3c1CO[C@H]1OC(=O)c4c(O)c(C)c(c(c41)O3)OC2=O 1772629056 YDLWEZKWYNYYTH-IBGZPJMESA-N 370.313 3.042 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672620 LBHLXRSCRQWUHK-IWQHBPENSA-N 366.461 3.332 0 1 FGAF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](OC)(C=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)C=C3C 28467736 AFBZZDSPQOILGX-NCVNJVRKSA-N 374.433 3.000 0 1 FGAF COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1OC 1381195 QVRUCUAQJRQRPN-GOSISDBHSA-N 373.405 3.254 0 3 FGAF Cc1cc(C)c2c(=O)n(CN3CCC(O)(c4ccccc4)CC3)sc2n1 1659236 WYYPQJJTWRQMQP-UHFFFAOYSA-N 369.490 3.016 0 1 FGAF O=c1c(Sc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 6117555 WKRTUPUPZHWGOK-UHFFFAOYSA-N 354.339 3.462 0 1 FGAF O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100276049 RDDSSNCMUUKINF-IAGOWNOFSA-N 365.410 3.493 0 1 FGAF COc1cc(C[C@H]2NCC[C@H]3C=C(O)C(O)=C(F)[C@H]32)cc(OC)c1OC 100986079 ZSESSFIOOIMOHZ-HWWQOWPSSA-N 365.401 3.044 0 1 FGAF Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)cn3C)nc2n1 113422398 AAYAMRXKAQEBFT-UHFFFAOYSA-N 350.451 3.434 0 1 FGAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1 113978289 IBNOLJAQNSYNJJ-AWEZNQCLSA-N 351.328 3.014 0 1 FGAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(CN4CCC[C@H]4C[C@@H]12)NC(=O)O3 2356793982 HRECJCSQVHRITB-IMHVBNMXSA-N 351.450 3.361 0 1 FGAF O=C1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 14638038 BADTYSQKXNDGFG-RBUKOAKNSA-N 364.353 3.327 0 1 FGAF biogenic COc1cccc(C2=N[C@@](C)(CC(=O)N(C)Cc3ccccc3)ON2C)c1 74374283 UCZQYCXYKIEJPX-OAQYLSRUSA-N 367.449 3.084 0 3 FGAF CN(C)CCOCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086433 RNJUHODQKLRTNO-UHFFFAOYSA-N 354.406 3.230 0 1 FGAF Cc1ccc(CNCC2(F)CCN(C(=O)c3sccc3C)CC2)nc1 43204880 HRRFFOWQQLRRFW-UHFFFAOYSA-N 361.486 3.494 0 1 FGAF CC[C@@H](NC(=O)c1cc(C(=O)NC(C)C)n2c1COCC2)c1ccccc1 146106156 JNXBGAUPYDDSNT-QGZVFWFLSA-N 369.465 3.038 0 1 FGAF CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@]2(C(=O)OC)C[C@@H]1C3 238754887 XDALHBQULYHYQJ-XJWDEFRUSA-N 368.477 3.264 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586961378 HZOOIDASEAYDNZ-LURJTMIESA-N 371.344 3.393 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCOCC3)s1)O2 587412503 ZMQRUVXMNHTHRC-KRWDZBQOSA-N 358.463 3.177 0 1 FGAF N=c1[nH]ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921714 LOJLPVCHPJFJNK-UHFFFAOYSA-N 364.430 3.011 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncc1F 587867556 JVCPUVYVNSFXBL-UHFFFAOYSA-N 366.274 3.195 0 1 FGAF Cc1ncncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587780062 XZSZLNZMOZWPKT-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF O=C(O)Cc1c(-c2ccc[nH]2)[nH]c2c1c(Br)cc1n[nH]cc12 587624160 YSKVOGPAKOUATI-UHFFFAOYSA-N 359.183 3.429 0 1 FGAF CC1=C[C@]2(C=C(C(=O)O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587833453 NFRXAASWLLLPQA-ZKANADHPSA-N 368.202 3.220 0 1 FGAF O=C(Oc1ccccc1-c1ccc2c(O)nc(O)nc2n1)c1ccccc1 587561096 LJEAJULOEBARNW-UHFFFAOYSA-N 359.341 3.322 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1nccn1C)O2 587384022 JAYQXLIGSHKYFI-FQEVSTJZSA-N 351.381 3.359 0 1 FGAF COc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1O 587786180 IFEJSXKLXDZUEB-UHFFFAOYSA-N 363.167 3.405 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccccn1)(c1ccccn1)O2 587394458 VJODQJXKAUHADH-NRFANRHFSA-N 359.385 3.111 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CC(=O)CC3(CCCCC3)C1)NCC2 962921874 FNMFJTJQRNVPRI-JOCHJYFZSA-N 354.494 3.433 0 1 FGAF O=C([C@H]1Cc2ccccc2[C@H]([C@H]2COC3(CCCCC3)O2)N1)C(F)(F)F 962767651 PVWOIRSZWHKMDX-BZUAXINKSA-N 369.383 3.449 0 1 FGAF CC[C@@H]1Cc2ccccc2[C@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269330 IMJLRAWMYALBDD-MWTRTKDXSA-N 361.441 3.225 0 1 FGAF O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NC(C1CC1)C1CC1 12386257 OEMCZGILZZPYQN-UHFFFAOYSA-N 364.449 3.379 0 3 FGAF O=C(O)Cc1c2n(c3cc(Cl)ccc13)C[C@H](Nc1ncc(F)cn1)CC2 203538925 KBEMKCBLJVTKSU-GFCCVEGCSA-N 374.803 3.278 0 1 FGAF COc1cccc(CN=c2nc3sc(-c4ccc(C)o4)nc3c(N)[nH]2)c1 1857632896 XWYPEXLMRBPAJM-UHFFFAOYSA-N 367.434 3.280 0 1 FGAF O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1 3958688 AIFWOVDKLXJKBN-UHFFFAOYSA-N 372.808 3.295 0 3 FGAF CCCN1Cc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2C1=O 4920183 WXOPJTSPHQRQIY-UHFFFAOYSA-N 363.461 3.015 0 3 FGAF CCCn1c(-c2ccc(F)cc2)nc2c(N(C)CCN(C)C)nc(C)nc21 7991794 IDJRTZJCQYFJPZ-UHFFFAOYSA-N 370.476 3.349 0 1 FGAF Cc1ccc(C2=NN(c3nc(C)cc(C)n3)[C@](O)(C(F)(F)F)C2)cc1 103285627 VJJXDFLNLHABCQ-MRXNPFEDSA-N 350.344 3.267 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)ccc31)[C@H]1CC[C@@H](C2)N1 73198004 VNXPNBKXJFLXQN-BLLLJJGKSA-N 370.449 3.499 0 1 FGAF C[C@@H](OCc1ccccc1)[C@H](C(=O)O)N(C)C(=O)OCc1ccccc1 2356829534 IZIRUFQEIQRNBR-CRAIPNDOSA-N 357.406 3.314 0 1 FGAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCc1cccc2ccccc12 73198770 RPMGQERYOMLPAP-IBGZPJMESA-N 351.450 3.136 0 1 FGAF COC(=O)c1cncc(CC[C@H](C)c2cncc(C(=O)OC)c2C)c1C 13310789 UNAIEFOJVLAFEP-LBPRGKRZSA-N 356.422 3.403 0 1 FGAF biogenic O=C(c1ccco1)N1CCCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1 49045218 VAFJSTKTOICXIQ-CQSZACIVSA-N 357.801 3.276 0 1 FGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NC1CCC(C)CC1 82203566 VTUUFVFSAZDFOD-UHFFFAOYSA-N 366.513 3.497 0 1 FGAF c1cc(-c2nc(O[C@@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1 223667372 ZKMCVDOEATVONU-CYBMUJFWSA-N 352.463 3.373 0 1 FGAF O=C(O)c1ccc(Nc2ncc(-c3cn[nH]n3)c(Nc3ccccc3)n2)cc1 42201340 OYYCYSSMYKGEPO-UHFFFAOYSA-N 373.376 3.447 0 1 FGAF CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(Cl)ccc21 40764024 ZIFDGGPXNUPCBC-MRXNPFEDSA-N 353.809 3.139 0 1 FGAF Cn1ncc(-c2cc3c(cn2)cnn3-c2ccccc2F)c1C1=CCNCC1 224879431 DFZRBXGBXWXXGB-UHFFFAOYSA-N 374.423 3.337 0 1 FGAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1)C1=C(COC1=O)O2 84615310 CKXMTGCSFYUOHQ-OAHLLOKOSA-N 354.358 3.048 0 1 FGAF CC(=O)Oc1ccc(/C=C\C(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1 238762848 BGRJFGWDFMYSGC-JXYKKQOOSA-N 357.450 3.433 0 1 FGAF C/C(=C\CC[C@H](C)CCO)C(=O)O[C@@H]1C[C@H]2[C@@H](C)CN(C)C[C@H]2[C@@H]1C 238767966 YRZCHFOUTWAZDC-KPYLDMOFSA-N 351.531 3.497 0 1 FGAF CC(C)c1nc(C(=O)NCC2CCN(C3CCC3)CC2)c2ccccn12 653801301 MKAHOPLIAPPZBH-UHFFFAOYSA-N 354.498 3.452 0 1 FGAF Cc1ncc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 653821052 OBENUNVRWUVWNS-UHFFFAOYSA-N 355.467 3.454 0 1 FGAF Cc1ncncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587778695 OKDKCPQTMFAFKE-JDNHERCYSA-N 350.235 3.484 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cnccc21 587393934 BVPKZZWINKPGQD-QFIPXVFZSA-N 356.381 3.426 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587784251 GLYMSMNJASCFOA-WDEREUQCSA-N 373.210 3.011 0 1 FGAF Cc1ccn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661585 RLWGBFFEENXCLZ-UHFFFAOYSA-N 362.364 3.048 0 1 FGAF Oc1nc2cc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3cc2[nH]1 587075822 KTXZPOPEEGGWOF-UHFFFAOYSA-N 351.757 3.046 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3ccc4ncccc4c3[nH]2)c1 586922304 SMFCHTVRYPOBCF-UHFFFAOYSA-N 351.431 3.496 0 1 FGAF COC(=O)C1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc2O1 587384708 NLZJWFBPZILORM-FQEVSTJZSA-N 369.348 3.026 0 1 FGAF Nc1ncc(Br)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495971 HHPUSBQMKSVKOA-CYBMUJFWSA-N 374.238 3.407 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c4oc(=O)sc4c1)[C@@H](C2)C3=O 587453103 POEKFGSOPFDMPV-APPDUMDISA-N 370.382 3.360 0 1 FGAF COc1cc(-c2nc3ccc(CCO)cc3[nH]2)nn1-c1ccccc1F 587156877 VDEYNHSLGBYGGZ-UHFFFAOYSA-N 352.369 3.098 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnccn1 587864476 KMJDBMHDKITIAB-UHFFFAOYSA-N 362.311 3.446 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)O)c2)N1 587791319 LKXADYVHDIXUGL-PWJLMRLQSA-N 367.218 3.412 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@](C)(c3ccncc3Br)c3cccc1c32 963038603 ZJZCXOKDRRRMQQ-ADLMAVQZSA-N 372.266 3.161 0 1 FGAF CC(C)C(=O)CC[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962645163 VCZQWLCZAMAWAQ-SJCJKPOMSA-N 373.371 3.405 0 1 FGAF c1ccc2nc([C@H]3C[C@@H]3c3cn4nccc(N5CCOCC5)c4n3)ccc2c1 1772624861 ZGOVKVOORNBZEO-IRXDYDNUSA-N 371.444 3.385 0 1 FGAF CN1CC[C@]23c4c5ccc(Nc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 13813274 BLCLKJDNXQERRY-QHFYENJSSA-N 360.457 3.236 0 1 FGAF COc1ccc(OCc2cnccn2)c(-c2ccc3c(c2)CCNCC3)c1 205441277 FMSGHWWENVVKGG-UHFFFAOYSA-N 361.445 3.419 0 1 FGAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 2480970 ZXGHFPZNKZOYSB-UHFFFAOYSA-N 358.419 3.455 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN4C[C@H](C)[C@@H](CC[C@]31CO)[C@H]42 2356420892 QXIYBJSJMAMZDQ-USNDHSFESA-N 373.537 3.395 0 1 FGAF C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\c1ccc(C2=NCCN2)cc1 6535149 DKMOTYPZOLXDML-FPYGCLRLSA-N 355.445 3.038 0 1 FGAF C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)F)CC1 101680576 SIBOOLLVAJCRIK-UTUOFQBUSA-N 363.412 3.304 0 1 FGAF O=C(O)c1c(=O)c2cc(F)c(N3CCCCC3)c3c2n2c(csc12)CO3 101498998 HNLHNIYUIQRAJX-UHFFFAOYSA-N 374.393 3.234 0 1 FGAF NC1CCC(Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1 66166304 SEAHTYRLTWEUCM-UHFFFAOYSA-N 352.394 3.270 0 1 FGAF in-vitro COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 34054662 HFDAIKHXHSHODJ-BTHPGYMESA-N 352.434 3.154 0 1 FGAF COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)ccc1O 14644870 DTWRFKKTAKDLCF-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic O=C(Nc1cccc2c1CCCC2)c1cccnc1N1CCCNCC1 39229685 FXHOVVWYCWOFLD-UHFFFAOYSA-N 350.466 3.012 0 1 FGAF C=C[C@]1(C)C[C@@](O)([C@@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(CC)c21 15204724 CLSJUQWISAXGNX-NRSPTQNISA-N 356.418 3.448 0 1 FGAF biogenic CC(=O)c1cccc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)c1 147714151 KUXPHAWPPMQKOW-UHFFFAOYSA-N 361.401 3.230 0 1 FGAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cccc(OC)c1OCC 621474142 AVIOVZLNYBRMAI-DSDLTIFZSA-N 350.440 3.290 0 1 FGAF COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1 96905621 JXKHETFJYPCKAY-ZDUSSCGKSA-N 358.390 3.155 0 1 FGAF biogenic O=C1COc2cc3[nH]c(Cc4csc(-c5ccco5)n4)nc3cc2N1 587016986 GIMDMAQDKRQAJY-UHFFFAOYSA-N 352.375 3.201 0 1 FGAF CC(=O)N1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586987815 HFSGWOGRWLDOLL-UHFFFAOYSA-N 358.397 3.099 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)N[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587427190 CJEOXBDUBXODGQ-LEXZLQQCSA-N 365.429 3.469 0 1 FGAF FC(F)(F)c1nn(CCc2nc3ncc[nH]c-3n2)c(C2CC2)c1Cl 587116530 GGOYVAXIOKJQPH-UHFFFAOYSA-N 356.739 3.293 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cnc(=N)[nH]c1)[C@@H](C2)C3=O 587434443 VLOHYDCKOFYAMT-OXJNMPFZSA-N 359.385 3.053 0 1 FGAF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2ccc(F)c(Cl)c12 587632142 PWVPKYTYURUHGE-UHFFFAOYSA-N 363.776 3.333 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cccc3[nH]2)cc1 586936741 AEGNMJRYEPMFDR-LBPRGKRZSA-N 359.451 3.315 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N2CCOCC2)N1 587774810 OSQBLXFOPAHPET-HISRAMJSSA-N 369.278 3.184 0 1 FGAF CCC(CC)[C@@]1(c2c[nH]c(C(=O)O)c2)c2ccsc2CCN1C(N)=O 962705901 HOSMTWSAOKYESG-GOSISDBHSA-N 361.467 3.391 0 1 FGAF COc1ccccc1[C@]1(CN)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713423 RRTWQQMCMWPFSG-VFNWGFHPSA-N 372.509 3.400 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCCCC[C@@H]2C(=O)C(F)(F)F)N1 962904926 OCRCHIBXIXTDDD-ZUCKAHLUSA-N 373.346 3.332 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccn1 962646108 WLKYHEQFIFXRIJ-NVXWUHKLSA-N 366.339 3.151 0 1 FGAF CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C=O)CC2)cc1 13553809 CKWHUFUGNFXYFW-UHFFFAOYSA-N 352.438 3.372 0 1 FGAF c1ccc(-c2nnc3c4c(c(OCc5nc[nH]n5)nn23)C2CCC4CC2)cc1 13610459 CMUJABAHLCISIQ-UHFFFAOYSA-N 373.420 3.243 0 1 FGAF Fc1cccc2c1C[C@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743686 XOZNBBHOIWDEFP-HNNXBMFYSA-N 354.425 3.059 0 1 FGAF O=C(O)[C@H]1C/C(=C2\CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 150314551 DJRORXFEVGSQOR-NHRMXYMRSA-N 369.808 3.194 0 1 FGAF O=C(O)C[C@@](O)(CSCCCCCCc1ccccc1Cl)C(=O)O 13758120 HPQPNKDAUARSOP-QGZVFWFLSA-N 374.886 3.467 0 1 FGAF N=c1c2c([nH]c(=O)n1-c1ccccc1)N(c1ccccc1)C(=O)N1CCC[C@H]21 103152735 UHXRUOKNDHYYNW-MRXNPFEDSA-N 373.416 3.054 0 1 FGAF O=C(O)C[C@@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648184 OKDFDEMTBGQHLA-RDJZCZTQSA-N 353.422 3.034 0 1 FGAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1 101505839 JLNHYHADCFCEMM-KDURUIRLSA-N 358.530 3.029 0 1 FGAF O=C(c1cccc(Br)c1)N1C[C@H]2CC[C@H](C1)C2N1CCCC1 101698973 YMTXFWXRZYKGBA-HUUCEWRRSA-N 363.299 3.396 0 1 FGAF CC(C)NC(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61895807 PBEGPZLCAFIBFL-JOCHJYFZSA-N 350.462 3.412 0 3 FGAF O=C(O)c1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356508756 PJWVAAKQVGEWFF-CRAIPNDOSA-N 369.396 3.000 0 1 FGAF COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CCS3(=O)=O)cc1 34079727 IKLSCWVUBYONDR-UHFFFAOYSA-N 370.430 3.022 0 1 FGAF CC(=O)NCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163328 NBWHQBPKFQYHFI-UHFFFAOYSA-N 367.478 3.432 0 1 FGAF CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccccc2F)n1 82151143 WVRGCISNGBCPBZ-ZDUSSCGKSA-N 360.433 3.259 0 1 FGAF COCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82133530 ORZWINKKQALLKA-UHFFFAOYSA-N 354.454 3.074 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 140142206 LMKMYJGZBLESNG-INWMFGNUSA-N 362.495 3.277 0 1 FGAF COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 96914132 YNQFUUYGAXWRRY-OAHLLOKOSA-N 355.390 3.250 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1 95574009 KKHBYNBHPMWTCF-FCHUYYIVSA-N 372.472 3.065 0 1 FGAF CCCC[C@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]3C1 253663431 IJNLAPNMNMHBJS-GQRZKWLESA-N 369.505 3.452 0 1 FGAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)cc1 254004951 SUQNPPWHLMFZBZ-RYDMAMILSA-N 362.267 3.488 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC/C(=C\CCCC(=O)O)[C@H]21 618012599 QYRCPOHMWROZQI-SFDPAUHYSA-N 352.471 3.061 0 1 FGAF Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 261102317 GPSCHCFBKYKZKJ-POAQFYNOSA-N 357.498 3.176 0 1 FGAF CCN(CC)C(=O)c1cnn(-c2cccc3nc(O)ccc23)c1C1CC1 299854252 WTEPOEVTULPWLG-UHFFFAOYSA-N 350.422 3.486 0 1 FGAF Cc1c2c(n3c1C[C@H](C)Oc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O 299854703 AHEANBICJFPUJQ-NSHDSACASA-N 352.434 3.363 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(C)cc21 587408752 ODUFOXABVLKTQA-HXUWFJFHSA-N 351.358 3.107 0 1 FGAF Nc1ccccc1-c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587248808 FFUCVSLFOIVPFW-UHFFFAOYSA-N 353.389 3.455 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O 587429520 VTNARABWIVEBJH-MGPUTAFESA-N 374.339 3.481 0 1 FGAF CN(C)CCOc1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 587969592 PPZFEUZZOYVNRH-UGOYDPGYSA-N 353.466 3.150 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(C)cc1 587216871 PASHXFCMCHFXNN-HNNXBMFYSA-N 351.406 3.062 0 1 FGAF Cc1cnc(Cl)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 587193298 GTTXXWWZVIMGQD-UHFFFAOYSA-N 372.856 3.439 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccnn3c2)N1 587796840 QTYPIJDCXYMDQW-JDNHERCYSA-N 361.218 3.255 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cncc2-3)N1 587802550 MSORYVXDGZZDDG-VXJOIVPMSA-N 361.218 3.435 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]ccnc1-2 587590171 RRYJAIXGPWOZOX-BEFAXECRSA-N 359.341 3.318 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cccc(OC)c3)[nH]c2c1 587930037 COOIGCVFWGAFOB-UHFFFAOYSA-N 373.478 3.241 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[C@@H](C2)C3=O 587440459 ZUJOSFJQJSYYQC-QOKQMOMRSA-N 373.449 3.458 0 1 FGAF O=Cc1cnc2n1C=CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590375 ZQPYZWSRZSXXHM-DYESRHJHSA-N 374.352 3.133 0 1 FGAF OCCc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160802 HAMZHVJLIXLWLQ-UHFFFAOYSA-N 371.803 3.197 0 1 FGAF Cc1c(F)ccc2c1[C@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)NCC2 962295545 DYTDLBDFRVKRHV-LAUBAEHRSA-N 360.473 3.057 0 1 FGAF CCOc1cc(F)c([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(F)c1 963469898 LMNIOJIBDRKRCB-MAUKXSAKSA-N 363.360 3.066 0 1 FGAF CC(C)(CN1CCCC1)[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962765823 NOFQDCRPXSZQFC-JKSUJKDBSA-N 354.416 3.495 0 1 FGAF Cc1c(O)ccc2c1[C@@H](c1cc3cc(C=O)sc3s1)N[C@H](C(=O)O)C2 963488846 GBPOAQHXULNCCU-BLLLJJGKSA-N 373.455 3.478 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](C2CCN(Cc3cccs3)CC2)N1 962907953 SUSJJIYMKFAVAL-PKOBYXMFSA-N 374.481 3.439 0 1 FGAF C[C@H](CCc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1 12725537 MORWOEUQBSIBES-LJQANCHMSA-N 359.558 3.178 0 3 FGAF COC(=O)c1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12 13741063 MPBRBRJAEJRNMC-UHFFFAOYSA-N 360.391 3.032 0 1 FGAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 169686927 RDQBONJTCROCKO-GJZGRUSLSA-N 374.828 3.239 0 1 FGAF O=C(Nc1ccc(F)cc1F)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 100089412 AKZBTSULZPOHKI-NYYJTOMGSA-N 358.392 3.491 0 1 FGAF CCOC(=O)c1cc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc2o1 299826759 DWPCEKKVWGGHAV-UHFFFAOYSA-N 368.389 3.165 0 1 FGAF Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1 3814802 VNGQNGVIRPWFOS-UHFFFAOYSA-N 359.838 3.420 0 1 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1cnc2ccccc2c1 4919178 HXFKMJQPCYIOHW-UHFFFAOYSA-N 370.368 3.330 0 1 FGAF NC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)c2ccc(O)cc2O1 103253040 XFVAGJMRSYABLI-LJQANCHMSA-N 374.396 3.225 0 1 FGAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2cccnc2Cl)C1 102244729 BEKLIDDQMCZTNU-XIKOKIGWSA-N 350.846 3.319 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Br)cc1)CN32 100912791 SUQNPPWHLMFZBZ-YWVMLRBPSA-N 362.267 3.488 0 1 FGAF Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 22941459 FMBYZLSHWCEAOV-IBGZPJMESA-N 363.505 3.090 0 1 FGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](O)Cc3c(cc4occc4c3C)[C@]12C 2356629693 NJHFGWBKMCKISA-UGESXGAOSA-N 372.461 3.399 0 1 FGAF O=C(O)CCC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCCCCO 2356712101 PTJFJXLGRSTECQ-RTBURBONSA-N 352.471 3.131 0 1 FGAF CCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC 39263177 NUFYYDVNKHLQFS-UHFFFAOYSA-N 362.451 3.016 0 1 FGAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1 33819155 QFKKCJIHGIAESG-HXUWFJFHSA-N 355.397 3.232 0 1 FGAF COC(=O)[C@@H]1O[C@@H](OC)c2c1c(C)c1oc3c(C)cccc3c(=O)c1c2O 13378677 RSHLQJHJEKDNRR-UYAOXDASSA-N 370.357 3.158 0 1 FGAF biogenic CN1CCN(c2nc3ccccc3n2CCOCc2ccccc2)CC1 38142552 ZVPHXWZTJRHUCF-UHFFFAOYSA-N 350.466 3.005 0 1 FGAF COc1c(O)cc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](CC2)N(C)CC3 14645579 UPDCPGFCIDXGDU-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1 40892287 VTLVGUTVIWZQMF-UHFFFAOYSA-N 365.441 3.276 0 1 FGAF Cc1ccc(NC(=S)OC[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 40913677 PKYQGEBOZYYIDY-CYBMUJFWSA-N 354.431 3.393 0 1 FGAF COc1cc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc(OC)c1 82204200 MUXCOIQVZQTYFL-GASCZTMLSA-N 372.469 3.028 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3c(OC)ccc(OC)c3CN1CC2 142126896 MLYZNZVURPVMPQ-QGZVFWFLSA-N 355.434 3.377 0 1 FGAF COc1c([C@H]2CO[C@H]3C=C(O)C=C(O)[C@@H]3C2=O)ccc(O)c1CC=C(C)C 97608018 GBQGFJSECZVLKZ-MNEFBYGVSA-N 372.417 3.475 0 1 FGAF in-vitro Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144893048 BGGVVTURLWIEEZ-GOSISDBHSA-N 360.335 3.358 0 1 FGAF O=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1Cc1ccccc1 95565725 RHQHVNCBLRJDET-QGZVFWFLSA-N 360.816 3.287 0 1 FGAF COc1c(O)ccc2c1C[C@@H](C(C)(C)O)[C@@H]2CC(=O)c1ccc(O)cc1 238789016 KERBMEWZYAFFCZ-NVXWUHKLSA-N 356.418 3.406 0 1 FGAF Cc1cccc(C)c1N1CCN(Cc2ccc(F)c(F)c2F)C(=O)C1=O 95565704 WSJWOGQHZARGHW-UHFFFAOYSA-N 362.351 3.096 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(I)cc1)O2 253862734 GWGUPRNQVJIAAS-IGQOVBAYSA-N 372.202 3.115 0 1 FGAF CC(C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597144 SSNKPVQLANRZKX-PXNSSMCTSA-N 356.374 3.454 0 1 FGAF CC(=O)C[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587829127 QRJUXSABNOCTQR-JDNHERCYSA-N 372.234 3.162 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)[nH]c(=N)n1 587861347 SCJOUCLGCJBZFD-UHFFFAOYSA-N 369.734 3.423 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C1CCN(c4cccc(C)n4)CC1)[C@@H](C2)C3=O 587444843 QVZDNKHZJGNGDX-JTSKRJEESA-N 364.445 3.431 0 1 FGAF COc1cc(Br)cc(C=O)c1OCc1nc2cnccc2[nH]1 586980532 WCAKBHULTUJMQZ-UHFFFAOYSA-N 362.183 3.121 0 1 FGAF CC(=O)C(C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810102 BWHCYKYPMMDTDQ-BCTVWOGZSA-N 356.235 3.132 0 1 FGAF N[C@@H](N=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966925 LSAXRIGOQKPOMM-AWEZNQCLSA-N 367.394 3.024 0 1 FGAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774344 MRGZHIQYTMDMAV-CLAHSXSESA-N 352.207 3.010 0 1 FGAF CC(=O)SCc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587935897 RGLAXLXYKZWFDG-UHFFFAOYSA-N 360.435 3.224 0 1 FGAF Cc1nn(Cc2nc3c(F)cnc(Cl)c3[nH]2)c(C)c1Br 586978848 KSUGTKPDRDTWBZ-UHFFFAOYSA-N 358.602 3.375 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cn1 587370004 AJMQRZIVYKNJSL-CQSZACIVSA-N 363.211 3.450 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CC(=O)CC3(CCCCC3)C1)NCC2 962921876 FNMFJTJQRNVPRI-QFIPXVFZSA-N 354.494 3.433 0 1 FGAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cccnc1N1CCOCC1 963102409 KCVAOIQFNXKJMH-XLIONFOSSA-N 353.441 3.167 0 1 FGAF COC(=O)c1ncccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962696358 DJDWYHBZZULWKT-BFUOFWGJSA-N 372.465 3.460 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)ncc12 1772613541 ZAUGNPXUHCZFDH-WBVHZDCISA-N 367.409 3.008 0 1 FGAF CC(=O)N1CCC[C@H](Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)C1 1772578767 NKYHYTUGMZLDLI-AWEZNQCLSA-N 371.462 3.285 0 1 FGAF C/C=C/C(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O 1772579719 DAUQHQPCXCIZQX-IDOMTICXSA-N 370.357 3.294 0 1 FGAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)N(C)C 203539959 QIHLJTBBSVIFSD-UHFFFAOYSA-N 355.829 3.385 0 1 FGAF COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 1857637176 GVBKVMVZVSXPKI-MXKNDYIUSA-N 362.466 3.164 0 1 FGAF CC(C)CCN(C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2499797 QZFDUVVFPRJMFN-UHFFFAOYSA-N 358.935 3.471 0 1 FGAF O=C1N[C@@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21 29306328 QVEVPLLBXFALKP-IBGZPJMESA-N 355.869 3.337 0 1 FGAF CCCCC[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)C=CCC[C@@H]1OC(C)=O 2356417187 TXKKHPOCYZDCHH-QCSYZSNVSA-N 354.443 3.328 0 1 FGAF CC(C)n1cnc2c(Nc3ccccc3)nc(N3CCC[C@H]3CO)nc21 27328692 HYJLTMWQVJCIAQ-HNNXBMFYSA-N 352.442 3.112 0 1 FGAF CCN(CC)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 28240751 VMATXNORBZBLAE-UHFFFAOYSA-N 350.484 3.326 0 1 FGAF O=C(O)C[C@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(O)c1 28648170 FCUCMIIVLCLREX-WBVHZDCISA-N 368.433 3.345 0 1 FGAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1 118615530 SOMLCVOFFCJGNU-IAGOWNOFSA-N 361.380 3.094 0 1 FGAF O=C(c1cccc(Cl)c1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26173692 SGCHOJPBTAUVER-GOSISDBHSA-N 354.837 3.312 0 1 FGAF CCCOc1ccc([C@@H]2C(=O)NC(=O)N2c2ccc3nc[nH]c3c2)cc1 68200375 GTFPAKYEYXNXOT-QGZVFWFLSA-N 350.378 3.149 0 1 FGAF COc1cccc([C@@H](O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)c1 73169368 SQULJGIXJCYPFC-LJQANCHMSA-N 369.373 3.041 0 1 FGAF O=S1(=O)N(CC[C@H]2CCCNC2)c2ccccc2N1c1ccccc1 72120307 HXPJUTFPDVBIKT-MRXNPFEDSA-N 357.479 3.279 0 1 FGAF Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2F)o1 82175798 OZSKUMFTCROXPT-UHFFFAOYSA-N 354.385 3.207 0 1 FGAF COCCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181823 CCVUZEWDQJUEJG-UHFFFAOYSA-N 351.454 3.395 0 1 FGAF O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cn1 96283910 YQLODSOBLZJRDT-UHFFFAOYSA-N 355.394 3.459 0 1 FGAF CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C 146653326 VUESTDLJPDIYNK-UHFFFAOYSA-N 353.413 3.196 0 1 FGAF CCOC(=O)/C=C/c1ccc(OC)cc1OC(=O)c1nc(C)c(C)nc1C 473135929 WMXRRPKMZDAVSE-CSKARUKUSA-N 370.405 3.206 0 1 FGAF c1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCCC3)cc1 653724600 KNHZQUKSZRBCDC-UHFFFAOYSA-N 353.466 3.124 0 1 FGAF CCn1cc(Br)c(Cc2nc3cc(OC)c(F)cc3[nH]2)n1 587001101 SSLXUBIZUOSDCM-UHFFFAOYSA-N 353.195 3.280 0 1 FGAF Nc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C(F)(F)F)c1 587095477 GEHLEVVDEULOEQ-UHFFFAOYSA-N 357.313 3.078 0 1 FGAF NC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573345 VXXOLZFBIPJQPZ-RXVVDRJESA-N 365.360 3.347 0 1 FGAF C[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592410 YMHFOHLXQCELHO-UZLBHIALSA-N 365.341 3.296 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cc(C)cn4)o1)[C@@H](C2)C3=O 587431743 MAOMQONBXDMHEL-MGPUTAFESA-N 350.374 3.330 0 1 FGAF CCCCc1cc(=O)oc2cc(OCc3nc4cncnc4[nH]3)ccc12 586918600 OTOUUORSVSOTHT-UHFFFAOYSA-N 350.378 3.381 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc3c(c2[nH]1)CCCC3 586951783 ZKHIVHUIPMWLEW-UHFFFAOYSA-N 362.480 3.245 0 1 FGAF COCn1ncc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763676 LEGSMURGUNBZJF-BMIGLBTASA-N 368.250 3.321 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 586915758 HNKXLKVNPNXFLI-BMLIUANNSA-N 372.475 3.147 0 1 FGAF COC(=O)C[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587513683 DUUGNALCUVFSTC-OAQYLSRUSA-N 351.402 3.384 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CCN(CC(F)(F)F)C1)N(C)[C@@H](C)C2 962637199 VXWSILSFSKKIDB-SJCJKPOMSA-N 358.404 3.044 0 1 FGAF CSc1ccc([C@@]2(CCC(=O)O)NCCc3nc4ccccn4c32)cc1 962990667 SBLPFBQJXBOGCM-HXUWFJFHSA-N 367.474 3.310 0 1 FGAF Cc1ccc(NC(=O)C[C@@]2(C)NCCc3c(C(=O)O)cccc32)cc1C 963135106 WTEZZISWHYKHGG-OAQYLSRUSA-N 352.434 3.391 0 1 FGAF CCn1ccnc1CN1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 12430645 YERCBIGTPABVRA-UHFFFAOYSA-N 366.465 3.128 0 1 FGAF CN1[C@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 13660780 VOWCKQTZGNDHEC-LSTHTHJFSA-N 360.461 3.091 0 3 FGAF CCn1c(C)nnc1[C@@H](CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1 202523211 KIFRDJSFQSEGDP-OAHLLOKOSA-N 368.890 3.080 0 1 FGAF Cc1ccc(-n2cc([C@H](C)O)nn2)cc1Nc1nccc(-c2cccnc2)n1 207316585 FSAYVSAXFCOVOD-AWEZNQCLSA-N 373.420 3.225 0 1 FGAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 774161 GNRLSJFQLOLXAC-AWEZNQCLSA-N 356.378 3.111 0 1 FGAF COc1cccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)c1 27763558 HNYHBOFPYASXBY-UHFFFAOYSA-N 356.374 3.189 0 1 FGAF COc1cccc(C[S@](=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)c1N 28230668 RPSYFVRYQNRJJM-RUZDIDTESA-N 369.368 3.480 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@]3(C)[C@@H]4CC[C@H]5CN(C)C[C@]45[C@H](O)C[C@H]23)C1 2356767782 HQTAZQNFEIWFII-AAZVSSJSSA-N 358.570 3.440 0 1 FGAF CC(C)OC(=O)n1c2ccccc2c2oc(C(=O)N3CCOCC3)cc21 26384647 BKXJLZUWUJGEJJ-UHFFFAOYSA-N 356.378 3.253 0 1 FGAF CCN(CC)C(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 4222648 LGDIRMAPOMVEOK-GOEBONIOSA-N 361.482 3.376 0 1 FGAF biogenic C[C@@H](CF)N1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 36289015 MSVUCHUHJRYEIG-PXNSSMCTSA-N 371.452 3.288 0 1 FGAF Cc1nc(-c2ccccc2)sc1C(=O)N(CC(=O)O)Cc1ccccn1 40933239 DWXMRUPUFUHGOP-UHFFFAOYSA-N 367.430 3.241 0 1 FGAF COc1cccc(CCCCCCCCc2cccc(OC)[n+]2C)[n+]1C 96938824 LGFCDTQURPWLFF-UHFFFAOYSA-N 358.526 3.479 0 1 FGAF CCCCN1CCC(CNC(=O)c2nn(C)c3ccc(Cl)cc23)CC1 95566039 QJQHRPVMJMWPBE-UHFFFAOYSA-N 362.905 3.469 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(F)cc3F)CC2)c1 95570874 SMVADPQLEHASND-UHFFFAOYSA-N 362.449 3.496 0 1 FGAF O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1cccnc1 653784778 BBHSXCUYFWEMFL-UHFFFAOYSA-N 350.349 3.469 0 1 FGAF Cc1c(F)ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586926259 NETUYPYKRGPRML-UHFFFAOYSA-N 360.410 3.229 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1N 587867466 FISJAJFKLPLBRK-UHFFFAOYSA-N 362.311 3.243 0 1 FGAF O=c1c(-c2nc3ccnc(O)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172931 NTHSIRVQNPHTDU-UHFFFAOYSA-N 354.316 3.259 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)[C@@H](C2)C3=O 587439887 XEFVRGLTJDDXMN-HCQWSFJTSA-N 373.449 3.458 0 1 FGAF c1ccc(COCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587566414 LPWOMINVBQEHRV-UHFFFAOYSA-N 351.450 3.154 0 1 FGAF CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522227 KJQSESYAEBAUSX-SFTDATJTSA-N 374.433 3.174 0 1 FGAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 587048151 GFGRJVRNSDUUND-UHFFFAOYSA-N 363.830 3.262 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795234 IDQUPLKBJUGBQB-ABKXIKBNSA-N 356.235 3.291 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC[C@H](C(F)(F)F)C[C@@H]1N)N(C)[C@H](C)C2 962621008 AXYIGUANUXVJFC-FXSPWANNSA-N 372.431 3.465 0 1 FGAF CCOC(=O)c1cnn(C)c1[C@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962953918 WRMLAZQGWLDOFI-XIKOKIGWSA-N 352.438 3.092 0 1 FGAF C[C@@]1(c2ccc(C(=O)O)[nH]2)c2ccsc2CCN1Cc1cccnc1 962999992 SYJZZRREUOYYTR-IBGZPJMESA-N 353.447 3.491 0 1 FGAF Nc1ccccc1NC(=O)CCCCCn1cnc2ccccc2c1=O 13588625 JKFIDTPOZCLBBB-UHFFFAOYSA-N 350.422 3.178 0 1 FGAF OC[C@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1 14947998 HVGKQQZVAZKEBO-CQSZACIVSA-N 354.385 3.289 0 1 FGAF COc1ccc([C@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1F 205628124 XJJAJIUTAIVQTE-SFHVURJKSA-N 373.409 3.074 0 1 FGAF COc1cc2sn(CCCCN3CCCCC3)c(=O)c2cc1OC 29402355 ZEYDUXPLPZILDG-UHFFFAOYSA-N 350.484 3.346 0 1 FGAF O=C(O)C[C@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccccn1 28339817 OEAURMKUNHWMBK-QGZVFWFLSA-N 356.451 3.127 0 1 FGAF CCN(C)C(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568265 UVOQIEBXUFHOKA-LICMUICMSA-N 357.494 3.314 0 1 FGAF in-vivo COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@H](C2)N(CC2CCC2)CC[C@]341 29236177 HZCJHCKFTKJLFP-LYZACZEUSA-N 353.462 3.104 0 1 FGAF CCCN1C(=O)c2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 29476913 AGNPNXXNFLVOFZ-UHFFFAOYSA-N 360.193 3.243 0 1 FGAF CS(=O)(=O)Nc1ccc([C@H](O)CCCN2CCCCCCC2)cc1 26849479 UGDCIRFXDOXNFT-GOSISDBHSA-N 354.516 3.138 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2CCc2ccccc2)c1 61929272 RCHRYLCNPWOLFU-NRFANRHFSA-N 354.450 3.349 0 3 FGAF CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cn1 72126999 FNWSDRRBMDAENC-UHFFFAOYSA-N 370.453 3.042 0 1 FGAF Brc1ccccc1CNc1ccnc(NCCn2ccnc2)n1 45302863 VZVARLWASDXAEI-UHFFFAOYSA-N 373.258 3.160 0 1 FGAF O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 40395539 VARVTDAKXMVAGV-UHFFFAOYSA-N 365.389 3.015 0 1 FGAF COc1cccc(-c2nc3n(c2-c2cccc(OC)c2)CC[S@@]3=O)c1 40641203 GBLGWGHNKZAXMR-RUZDIDTESA-N 354.431 3.356 0 1 FGAF O=C1NC(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)S1 45389033 VMGMHUAWUUMFEB-PXNMLYILSA-N 355.371 3.318 0 1 FGAF CCCN1CCN(c2nc(CCN(C)CCc3ccccc3)cs2)CC1 98084906 MDXNMEHVLMMZEY-UHFFFAOYSA-N 372.582 3.392 0 1 FGAF CCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)nc3ccnn23)cc1 95552504 WJOUGMPFYANZMI-MRXNPFEDSA-N 366.469 3.344 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587738529 PCLWXTQSDQBSRG-JKYUHCHBSA-N 356.214 3.393 0 1 FGAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587195384 JGWQZJAQVYSBJB-ZDUSSCGKSA-N 372.494 3.031 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccnc3)nn1)CC2=O 587481978 YLDSPXDNYFQNJG-LJQANCHMSA-N 364.405 3.086 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccncc1 587867921 QTYHUNASUZITKF-UHFFFAOYSA-N 362.311 3.250 0 1 FGAF O=C(O)C1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608830 MLDGFTXAVWENDB-FAJCDVDPSA-N 366.369 3.367 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]ccnc2-3)N1 587806177 VLLJZMQQWCMVLM-CLAHSXSESA-N 361.218 3.435 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cc(F)cnc2[nH]1)C(F)(F)F 587093455 UMLPSLDMSNYYIZ-OAHLLOKOSA-N 354.307 3.260 0 1 FGAF Cn1cc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583250 UWTBAWHVYSITAS-WIYYLYMNSA-N 362.385 3.319 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cn1 587247135 HSOBJWIPEOQJTP-UHFFFAOYSA-N 364.331 3.370 0 1 FGAF CCOC(=O)C(=O)C[C@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587400532 QPIMSPAGLAHZCH-NRFANRHFSA-N 373.449 3.384 0 1 FGAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587241447 CLJHSOUEPUAJFS-UHFFFAOYSA-N 361.409 3.190 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(F)nc(N4CCCC4)c1)[C@@H](C2)C3=O 587428661 PQEBKPSEMWZQQO-XOBRGWDASA-N 354.381 3.318 0 1 FGAF O=S(=O)(O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017460 MJRDXOKXEBXLEA-UHFFFAOYSA-N 361.404 3.117 0 1 FGAF Nc1ccc(C(=O)CCc2nc3ccc(Br)c(O)c3[nH]2)cc1 587251434 GYXDMPIPGZCNLP-UHFFFAOYSA-N 360.211 3.429 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(Cn1ccc(C(F)(F)F)n1)[C@@H](C2)C3=O 587423114 QWTHEDCXSYPEMR-ZBEGNZNMSA-N 352.312 3.117 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(F)cccc1N1CCCC1)NCC2 962925414 MKLRCVLYVSXBRE-NRFANRHFSA-N 367.468 3.363 0 1 FGAF CN1CCc2c(Br)cccc2[C@@]12C(=O)Nc1c(F)cccc12 963290460 WDEDRKISYFCMQC-QGZVFWFLSA-N 361.214 3.272 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cnc(-c3ccncc3)s1)NCC2 962923600 IJOXXKVNNPPCHG-GOSISDBHSA-N 364.474 3.142 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc4c3OCCO4)C2)cc1 1772649609 GXTXGUKRKXBQNG-HNNXBMFYSA-N 366.461 3.213 0 1 FGAF COc1c(O)c(CCCCCc2ccccc2)c2c(c1OC)NC(=O)C2=O 14652116 XGNGWQYOWZJAJF-UHFFFAOYSA-N 369.417 3.500 0 1 FGAF biogenic,in-vitro CC[C@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729823 DAKJLAJXDRCJER-XJKSGUPXSA-N 362.857 3.363 0 1 FGAF CC[C@@H]1CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729824 DAKJLAJXDRCJER-CJNGLKHVSA-N 362.857 3.363 0 1 FGAF Cc1cc2onc([C@@H]3CCCN3S(=O)(=O)c3cnoc3C)c2cc1C 206032163 YTUUCPUGSGICMB-AWEZNQCLSA-N 361.423 3.267 0 3 FGAF CNc1nc(Nc2cnn([C@@H]3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F 205722189 ZGXBNRLQXMACOV-CMPLNLGQSA-N 374.342 3.085 0 1 FGAF COc1ccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2)cc1OC 1857755179 XCEUUSPWEPDPKS-UHFFFAOYSA-N 351.406 3.379 0 1 FGAF CCS(=O)(=O)n1cc(-c2ocnc2Br)c2ccccc21 103290813 ANNVPJDSICWIPC-UHFFFAOYSA-N 355.213 3.257 0 1 FGAF Cc1cc2nc(CO[C@H]3CN(Cc4ccncc4)C[C@@H]3F)[nH]c2cc1C 2356299926 QQIQHEAEIQAZFZ-LPHOPBHVSA-N 354.429 3.314 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(OC)cc2)cc1 100108059 MHHJYUYHFZQAMB-WKCHPHFGSA-N 365.477 3.221 0 1 FGAF C[C@@H]1[C@@H](NC(=O)CCCN2C(=O)CSc3ncccc32)CCC[C@H]1C 103670773 HRWMKASSJPDAMX-ILXRZTDVSA-N 361.511 3.241 0 1 FGAF COCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 101476752 CAKFOQCLJYYYFN-UHFFFAOYSA-N 350.296 3.188 0 1 FGAF COc1ccc(C[C@@H]2CO[C@@H](OC)[C@H]2Cc2ccc(O)c(OC)c2)cc1O 2356422388 BHZULQULDFGRFF-VWKPWSFCSA-N 374.433 3.135 0 1 FGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)cc64)OC[C@@H]3[C@H]1C[C@@H]25 2356450058 HBPGSKLHBXLGBP-BXAAJAGZSA-N 352.434 3.054 0 1 FGAF C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)n1sc2ccccc2c1=O 20467306 LTACFCAXYBXTDM-HNNXBMFYSA-N 373.522 3.101 0 1 FGAF COC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 36331840 ALLSUGWAFKQBQJ-YJBOKZPZSA-N 367.430 3.237 0 1 FGAF Cc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3C)C2=O)cc1 2154829 WMJTWWVMZJECJY-FOIQADDNSA-N 373.456 3.333 0 1 FGAF biogenic COc1cc(-c2nncn2-c2ccc3c(ccn3C)c2)cc(OC)c1OC 35825797 TXHKYLOYOGMNFE-UHFFFAOYSA-N 364.405 3.452 0 1 FGAF in-vivo COc1cccc(C2=N[C@](C)(CC(=O)Nc3ccccc3C)ON2C)c1 74373349 KSFKSXHDZOEWLJ-FQEVSTJZSA-N 353.422 3.372 0 3 FGAF CC(C)CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 15969340 BROGEPORISYSDP-CTNGQTDRSA-N 373.456 3.410 0 1 FGAF biogenic Cc1cc2c(c(C)c1CCOC(=O)Cc1ccccc1)C(=O)[C@@H](C)[C@H]2O 14682740 ZLODSRSPHRSTCG-YCRPNKLZSA-N 352.430 3.498 0 1 FGAF biogenic COc1ccc(CCNc2nc(N3CCC[C@H]3C)ncc2C)cc1OC 82202735 GBMKPXLJGBFGTI-OAHLLOKOSA-N 356.470 3.446 0 1 FGAF CCCCC[C@@H](O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 90428170 XEYBRNLFEZDVAW-WMHOESNASA-N 352.471 3.251 0 1 FGAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccco3)cc21 95563208 JCSWHXALJLZXNP-CQSZACIVSA-N 371.389 3.109 0 1 FGAF CC(C)CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149346404 ZBRXNRXBDZNDTR-INIZCTEOSA-N 374.506 3.073 0 1 FGAF COc1ccc(CCC(=O)c2ccc3c(c2O)C[C@H](O)C(C)(C)O3)cc1 103233421 SXUATLUQEIRYSG-IBGZPJMESA-N 356.418 3.291 0 1 FGAF biogenic O=c1ccn(CCCCOC(c2ccccc2)c2ccccc2)c(=O)[nH]1 96283130 GVKTVCXIJXSXMD-UHFFFAOYSA-N 350.418 3.123 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1sc(=N)[nH]c1C(F)(F)F)[C@@H](C2)C3=O 587420996 JDYUCCYBMMUFJI-VXJOIVPMSA-N 370.352 3.246 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(C(=O)O)[C@@H](C2)C3=O 587423081 TZLJNMCKQDFZBT-IFXJQAMLSA-N 358.777 3.162 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587787302 MZQBHBBPIKPCKY-UHFFFAOYSA-N 350.378 3.277 0 1 FGAF Cc1noc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587590411 ZYMQLALHGHCAPI-APWZRJJASA-N 352.346 3.047 0 1 FGAF CC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COCOC1 587607569 HZXHGRDPTHBRFD-UZLBHIALSA-N 356.374 3.123 0 1 FGAF CC(C)CCOc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br 587198148 ZPPHOLRKOVPCHS-UHFFFAOYSA-N 368.275 3.381 0 1 FGAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513789 UIHRCWFDUXHPFR-ZDJZVTAXSA-N 357.450 3.298 0 1 FGAF COC(=O)c1ccnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 587133444 PZXXIOMXRHQVBM-UHFFFAOYSA-N 368.151 3.421 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C(=O)C1)[C@@H](C2)C3=O 587438352 ORCCTRLJYDMOAT-HTAPYJJXSA-N 363.413 3.004 0 1 FGAF O=C1CCc2cc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3cc2N1 587043348 KWWAQBSMXQYIIA-UHFFFAOYSA-N 350.403 3.159 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCC(=O)N3)CC2=O 587487376 VLZJJBUPVKARIQ-KRWDZBQOSA-N 353.374 3.382 0 1 FGAF COC(=O)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587229988 PAGPCQJUHKAGEK-UHFFFAOYSA-N 359.389 3.419 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3-c1ccccn1)O2 587393227 ZXPPNQWGDXGFLE-NRFANRHFSA-N 360.417 3.355 0 1 FGAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775168 PHVRWZVUQYSJJU-CLAHSXSESA-N 352.207 3.010 0 1 FGAF CC(C)(C)OC(=O)N1CC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)C1 205771658 JBPRNRPMVKPCEG-AEFFLSMTSA-N 355.438 3.071 0 1 FGAF Cc1ccc(C(=O)Cc2nc3c([nH]c2=O)c(C)nn3-c2ccccc2)c(C)c1 17224284 IUSAJNXVGUUIGV-UHFFFAOYSA-N 372.428 3.459 0 1 FGAF Cc1cccc(-n2nc(C)c3c2OS(=O)(=O)C[C@H]3c2ccccc2)c1 1857564238 YJLJQYRGKGJEAE-KRWDZBQOSA-N 354.431 3.343 0 1 FGAF Cc1nn(-c2nc(O)c3sccc3n2)c(C)c1C(=O)N1CCC(C)(C)C1 1857586178 OGTNTZUSWPALHX-UHFFFAOYSA-N 371.466 3.072 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@@H]3OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356383082 ZHTPTXDAVDVETG-CITFBKMRSA-N 360.450 3.234 0 1 FGAF COc1ccc(CNC(=O)CCC(=O)n2ncc3ccc(Cl)cc32)cc1 6768398 MMDWQCXZHUZDKJ-UHFFFAOYSA-N 371.824 3.435 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 100395268 BHMBVRSPMRCCGG-PKYPQZGTSA-N 352.471 3.251 0 1 FGAF C[C@H]1C(=O)OC[C@@H]1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 14649597 AVZNYICISHZREJ-RISCZKNCSA-N 354.358 3.085 0 1 FGAF biogenic O=c1[nH]ccc2c(Cc3nnc4ccc(-c5ccsc5)nn34)cccc12 72318120 PXGMSJAGIPJNCA-UHFFFAOYSA-N 359.414 3.285 0 1 FGAF COc1cc(C#N)cc(-c2ccc([C@H]3C[C@@H]3NC3CCC(N)CC3)cn2)c1 149969059 LNGPHSIKIPBXBM-WJTCQHJGSA-N 362.477 3.344 0 1 FGAF COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](CC[C@@]52CO)[C@H]63)CC[C@@H]41 238771735 CXTKTMRFOAAVPA-FQWMZJOTSA-N 371.521 3.005 0 1 FGAF C[C@@H]1NC(=O)[C@H](CCC(=O)Oc2ccc3oc4ccccc4c3c2)[C@H](C)N1 618016130 GDIZEAZHVXLFES-KCQAQPDRSA-N 366.417 3.342 0 1 FGAF CCn1nccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC 299819183 BMKXMPKGWHESCK-UHFFFAOYSA-N 370.438 3.388 0 1 FGAF CC(C)(C1CCC(=O)CC1)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561702 JYKKOHCSTHBEQW-CYBMUJFWSA-N 355.438 3.326 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586921554 CICJPXNAWUGGIT-UHFFFAOYSA-N 366.345 3.345 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCNCC3)cc1)CC2=O 587477980 YRSGJIVRFJODKZ-NRFANRHFSA-N 366.461 3.461 0 1 FGAF CC(C)[C@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756729 FGHXVTCLVLMNCG-HWPZZCPQSA-N 367.266 3.151 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)F)nc2c1 587089828 ZFRCODCCHHCLBU-UHFFFAOYSA-N 355.085 3.469 0 1 FGAF Nc1ncc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551951 LOMPJDYXSYUTBM-CXAGYDPISA-N 369.764 3.121 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)c1cccn1C)C(=O)OC 963243021 QZXADHGOUQTMQG-AOMKIAJQSA-N 368.477 3.323 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@]2(CCOc3c(F)cccc32)N1)C(F)(F)F 962729105 GRZQDIDAVUNHIT-YJBOKZPZSA-N 365.326 3.498 0 1 FGAF Cc1ccc(-c2cn3nc(-c4ccc(S(N)(=O)=O)cc4)sc3n2)cc1 1772592452 SBSAHJVUNNJJHO-UHFFFAOYSA-N 370.459 3.081 0 1 FGAF C[C@@H](O)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651112 DWMZMKQTXRLFTM-APWZRJJASA-N 362.429 3.238 0 1 FGAF CO[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 14967644 POHNKSHNRFOJER-FDPIWHGQSA-N 370.401 3.219 0 1 FGAF CO[C@@]12C(=O)c3cc4ccoc4cc3O[C@H]1COc1cc3c(cc12)OCO3 15147384 NUYYOLGSNQWSLU-AZUAARDMSA-N 366.325 3.040 0 1 FGAF biogenic O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 150107480 RQKFKYYIIJFCII-LJQANCHMSA-N 366.396 3.129 0 1 FGAF O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 627301 WIEYNARULJLYQD-HUUCEWRRSA-N 370.405 3.039 0 1 FGAF CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1 1343521 BJWOSWCDAYQJGG-GOSISDBHSA-N 357.454 3.334 0 3 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 4990464 FFVRRQMGGGTQRH-DTPILHQWSA-N 354.450 3.042 0 3 FGAF O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 6803981 QKPKNBMBLXDGRR-SFHVURJKSA-N 369.852 3.233 0 1 FGAF COc1ccc(NC(=O)[C@]2(C)CCN2C2Cc3ccccc3C2)cc1OC 61897412 OYTIKKUQADTIQB-QFIPXVFZSA-N 366.461 3.274 0 3 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC 2356435048 PJDMFGSFLLCCAO-LJDSDSDDSA-N 368.514 3.131 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CCC1=C(C=CCC2=O)C(=O)OC1 2356624947 VGBNOFOWNHRFOS-YRNRMSPPSA-N 356.374 3.053 0 1 FGAF CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4C)C(=O)[C@@H]13)O2 36383544 SBDWZBRKGCELCC-OOSNJVJTSA-N 355.434 3.015 0 1 FGAF O=c1c(-c2ccccc2)cccn1[C@@H](CN1CC[C@H](O)C1)c1ccccc1 36190489 NZNYFHPTQFALGO-UNMCSNQZSA-N 360.457 3.171 0 1 FGAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 74378669 UVMYVXGBFJWQIA-CJNGLKHVSA-N 362.763 3.493 0 3 FGAF COc1cccc2c1OC[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49017035 ILUDIYKWDMIEKX-AWEZNQCLSA-N 373.416 3.329 0 1 FGAF CC(C)[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCCN1C#N 40423439 MANOSMRLHJERON-HNNXBMFYSA-N 354.376 3.462 0 1 FGAF Cc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ncccc1F 40848420 INXYUZGZBZNQGF-UHFFFAOYSA-N 359.405 3.134 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2nccnc2c1=O 49070785 YOOATANIHWAWIC-UHFFFAOYSA-N 357.369 3.205 0 1 FGAF COC(=O)c1cc([C@H](O)CN[C@@H](C)CCCc2ccccc2)ccc1O 45169090 MVIONHNYRFQXIN-MGPUTAFESA-N 357.450 3.213 0 1 FGAF CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccccc1F 82152463 HDNKUXXVGSNSBG-CYBMUJFWSA-N 360.433 3.259 0 1 FGAF COC(=O)[C@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CC(=O)c1ccoc1 238782755 RXMKNHZLQNBAPQ-GCVJAVPDSA-N 372.417 3.321 0 1 FGAF c1cc(OC[C@H]2CCCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 96174962 FUGPTCJAZZYCRJ-HNNXBMFYSA-N 359.433 3.323 0 1 FGAF CCOC(=O)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(CC(C)C)C2 96083032 CPFTXORWCWJJJO-PXNSSMCTSA-N 364.555 3.481 0 1 FGAF N=C(N)c1ccc(SCCOCCSc2ccc(C(=N)N)cc2)cc1 145120576 USPXABOMGVOTQI-UHFFFAOYSA-N 374.535 3.156 0 1 FGAF COc1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1F 96927043 MXBKMPBERVPGCH-UHFFFAOYSA-N 350.342 3.100 0 1 FGAF COc1cc(C[C@H](O)[C@@H]2CCC[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 238784562 TWMAEJHJSZFXRX-OTWHNJEPSA-N 374.433 3.329 0 1 FGAF CN1CCN(c2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)CC1 587087227 CCOPGDDWERBKDM-ZDUSSCGKSA-N 361.440 3.064 0 1 FGAF COc1ccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)cc1OC 587928515 IAZAVQBGTICROX-UHFFFAOYSA-N 364.361 3.115 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)OC(C)(C)C)(C1=COCCC1)O2 587413947 ULQJAOKUEHYAEY-FQEVSTJZSA-N 359.422 3.317 0 1 FGAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587744215 GJVXZTQLAIRZTD-BJOHPYRUSA-N 350.235 3.497 0 1 FGAF Cc1nccc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587119529 XPTREPUPNWLMMS-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2)N1 587828336 OTMYEGZDPIANTH-BTDLBPIBSA-N 364.214 3.451 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)s1)([C@H](C)O)[C@@H](C2)C3=O 587449236 BSNVTWMFFLFOAN-UUFZHILXSA-N 350.823 3.434 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CO[C@@H](C2)O3)[C@H]1c1ccc(F)cc1 587357277 MOAKVIGXMOOWIP-XBQLCILLSA-N 356.349 3.164 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](C2(c3ccccc3)CCOCC2)N1 962897703 NFBCFTOKKHXJQA-HKUYNNGSSA-N 355.409 3.214 0 1 FGAF COc1c(Cl)ncc(Cl)c1[C@@H]1NCCc2c1c(C(C)C)nn2C 962915906 IEOSTONCHGKCJT-AWEZNQCLSA-N 355.269 3.489 0 1 FGAF Cc1nc2ccccc2nc1[C@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963022716 HIXYRCNTFMUOBH-JLCFBVMHSA-N 358.445 3.255 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1cnnn1-c1ccccc1 963270761 RDEODZYSYZXFFE-LJQANCHMSA-N 354.841 3.339 0 1 FGAF COc1cc(C(=O)NC[C@H](O)c2ccccc2Cl)ccc1-c1cn[nH]c1 1772629531 XZOMFGUPUHMZFT-KRWDZBQOSA-N 371.824 3.202 0 1 FGAF c1ccc(Cn2cc(CN3CCCO3)c(-c3ccc4c(c3)OCO4)n2)cc1 12712042 WBFAQSDDNVSJKQ-UHFFFAOYSA-N 363.417 3.464 0 3 FGAF CCN(CC)CCN1C(=O)CN=C(c2ccc[nH]2)c2cc(Cl)ccc21 1615077 VKIPPGQHRSATNT-UHFFFAOYSA-N 358.873 3.194 0 1 FGAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205312 SRRHFMWOIPRSKC-LNLFQRSKSA-N 372.852 3.319 0 1 FGAF Oc1c2nc3ccc(Br)cc3c-2ncn1CCCn1ccnc1 8577990 DPRLTJGEJIKFNS-UHFFFAOYSA-N 372.226 3.291 0 1 FGAF CC(C)(Oc1ccccc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2 28881992 GIFJUNAMCWBYRP-QYGWLETQSA-N 357.450 3.240 0 1 FGAF CCN1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ncccc2C)CC1 61897328 ACZOYSTVUOJKPY-HXUWFJFHSA-N 355.457 3.467 0 3 FGAF CC(C)COC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F 28637862 KELFSGJXSPYNIW-MRXNPFEDSA-N 373.421 3.385 0 1 FGAF CCO[C@H]1c2ccc(OC)c(O)c2[C@@]23CC=C(OC)C[C@@H]2[C@H]1N(C)CC3 2356782159 CYZDIDKGWZLCHU-DPDLHNOKSA-N 359.466 3.374 0 1 FGAF Nc1cnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 212150184 WQWGLMACXPQKEM-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@H]1Oc2cc4c(cc2[C@H]1CO3)OCO4 14613194 CWGQQELECQFCDS-CAYVGHNUSA-N 368.385 3.099 0 1 FGAF biogenic CCC[C@H]1C[C@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914932 GDFIDTXMRHKUHA-ZFWWWQNUSA-N 366.849 3.091 0 1 FGAF CC[C@H]1Nc2c(-c3ccc(C(=O)O)cc3)cc(Cl)cc2S(=O)(=O)N1 84712074 WCNJLWQLYMGRPS-AWEZNQCLSA-N 366.826 3.145 0 1 FGAF COc1ccc2c(c1)CCN(C(=O)CNCC1(O)CCCCC1)[C@@H]2C(C)C 140370130 HXPCYJSJQYLMEV-OAQYLSRUSA-N 374.525 3.062 0 1 FGAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)C1 299887548 ZATDNGGJPFESOO-DFBDCSAJSA-N 362.518 3.404 0 1 FGAF COc1ccc(-c2nc3ncc(Cl)c(NC[C@@H]4CCNC4)c3[nH]2)cc1 653795093 HYIAOLHEBOQEFP-LLVKDONJSA-N 357.845 3.308 0 1 FGAF COc1cc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)ccc1O 653721424 TVUNOGVNPMMTHW-UHFFFAOYSA-N 371.389 3.134 0 1 FGAF COC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1OC 587071247 XZSBPYUCDZSVDM-GFCCVEGCSA-N 373.840 3.297 0 1 FGAF O=C1C[C@](c2cc3ccccc3o2)(C(O)O)Oc2c1ccc1c2CCCC1 587533659 SGIRHNMSWVQSST-QFIPXVFZSA-N 364.397 3.483 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587232785 BAGCPJHKPQHZCX-DTWKUNHWSA-N 371.363 3.484 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1 586941116 NPONJMMKFVATBR-SREVYHEPSA-N 362.842 3.010 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587441743 ILCNJQQOZQNMEO-XOBRGWDASA-N 354.358 3.118 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(O)CC4)s1)[C@@H](C2)C3=O 587452046 QFKGLKKVFCYRSY-VBKZILBWSA-N 371.458 3.207 0 1 FGAF CCOC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587217790 ZLQSDTRULNVOAF-SFHVURJKSA-N 365.433 3.468 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)C(C)C)c1)O2 587410253 WLIWGNIJQATJDQ-SFHVURJKSA-N 359.447 3.466 0 1 FGAF CCn1ncc([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587390879 JURNYBQEGSLMIU-AQWUKCDYSA-N 354.454 3.038 0 1 FGAF CC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)C12CC3CC(CC(C3)C1)C2 587561564 QXUPXHPXYVDHHG-JUFNAOHJSA-N 353.422 3.325 0 1 FGAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587530776 HATIKUYHIXBNFT-NRFANRHFSA-N 350.370 3.441 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)N[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587427193 CJEOXBDUBXODGQ-YOKWENHESA-N 365.429 3.469 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(O)c4[nH]3)CC2)cc1 586955815 WFWGJVNJIXHBIK-UHFFFAOYSA-N 371.462 3.145 0 1 FGAF O=C(CNC(=O)c1cnc2ccccc2c1)N[C@H]1CCCc2ccccc21 149060865 NUZUCUGCAZQUDH-FQEVSTJZSA-N 359.429 3.158 0 1 FGAF COc1ccc2c(c1)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)N(C(C)C)CC2 962085997 BHOQIFQYSUROJZ-OAQYLSRUSA-N 365.477 3.242 0 1 FGAF CC(=O)c1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1857572333 NDSXNSJCJWGEFC-WCIBSUBMSA-N 356.197 3.023 0 1 FGAF CCn1cc(-c2ccccc2)c(=O)c2cc(F)c(N3CCNCC3)cc21 1772575369 UTZKGKNUGSCQHD-UHFFFAOYSA-N 351.425 3.237 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5nnnn5C[C@@]4(C)CC[C@@H]32)C1 169321552 FBRVTNPGRZJMME-DVFHKXEWSA-N 370.497 3.330 0 1 FGAF CO[C@H](CN1CCN(c2ccccn2)CC1)[C@@H](N=O)c1cccc(C)c1 169719702 WJBXZGTUKWEVIU-QUCCMNQESA-N 354.454 3.035 0 1 FGAF CCOC(=O)[C@H](C)N[P@@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857605489 YGSLLMNEAQXTQJ-RBEULTJKSA-N 355.371 3.128 0 1 FGAF Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@@H]3N)cc3ccnc(O)c23)c1 1857607015 VGCGSJJJHOPEEF-IRXDYDNUSA-N 363.465 3.491 0 1 FGAF O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 1857632068 CAHLSBJEMHBDPC-CQSZACIVSA-N 374.245 3.488 0 1 FGAF CCC[C@@H](C)NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 753833 MKJVCTQFIXPQPV-LLVKDONJSA-N 362.499 3.063 0 1 FGAF CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc21 100821261 GPINDKALSCBEKJ-OTVXOJSOSA-N 369.448 3.411 0 1 FGAF CC/N=c1\c(NS(=O)(=O)c2ccc(C)cc2C)c(O)oc2ccccc12 103532176 URCOZMWJKCJJJX-JZJYNLBNSA-N 372.446 3.477 0 1 FGAF Cc1nn(CC(=O)Nc2cnn(C(C)C)n2)c(C)c1-c1cccc(F)c1 23214053 YTNFSKQXZQBYEM-UHFFFAOYSA-N 356.405 3.117 0 1 FGAF CC(C)NC[C@@H](O)COc1cccc2c(=O)cc(-c3ccccc3)oc12 29559681 UMJWYQXYGAYHQP-MRXNPFEDSA-N 353.418 3.198 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 73198005 GTPXAZMVRSAQCK-DYVFJYSZSA-N 370.449 3.499 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@]32C 2356594219 MSKATEQDOFAFJJ-BHIFYINESA-N 368.477 3.127 0 1 FGAF COc1ccc2c(c1)CN(Cc1ccccc1OC)CC[C@@H]1COC(=O)N21 2356692283 PWFSJXLHCJYMRN-QGZVFWFLSA-N 368.433 3.435 0 1 FGAF CCOP(=O)(OCC)[C@H](O)c1cc2cccc(CC)c2n2nnnc12 49112056 HVUNAJKOGJQHJW-INIZCTEOSA-N 364.342 3.097 0 1 FGAF COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1O)CC[C@H]3N(C)CC2 14645561 KSXDNYMXILTIFF-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic O=c1c(CSC(=S)N2CCOCC2)coc2cc(Cl)ccc12 42989282 OVMMOGDXRBXKMY-UHFFFAOYSA-N 355.868 3.297 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)ccc21 142751014 DZJYOIVYJGYACB-UHFFFAOYSA-N 360.377 3.023 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H]3[C@@H](C[C@H]12)OC(=O)[C@]3(C)O 257500359 OCPGSVYCKLXPSO-WZRMFLDRSA-N 362.510 3.293 0 1 FGAF endogenous,in-man CC/N=c1\c(NC(=O)c2c(OC)cccc2OC)c(O)oc2ccccc12 617997450 DVQUYTXBYGAUNJ-FXBPSFAMSA-N 368.389 3.329 0 1 FGAF COC(=O)[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CC(=O)c1ccoc1 85720946 RXMKNHZLQNBAPQ-XVSRIUFKSA-N 372.417 3.321 0 1 FGAF biogenic CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12 299834944 WGWSSUNZPXDWCE-UHFFFAOYSA-N 363.377 3.173 0 1 FGAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn2CC(=O)Nc2ccccc2)cc1 653757884 UZKQSLJNMJVHSF-RBUKOAKNSA-N 374.444 3.194 0 1 FGAF Cc1ccccc1C(=O)Nc1cccc(COc2cncc(C(N)=O)c2)c1 653857018 LRTMJMYZKTVQSX-UHFFFAOYSA-N 361.401 3.320 0 1 FGAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(=N)[nH]cc4[nH]3)ccc12 586917392 AUQWQDAZGYJIHS-UHFFFAOYSA-N 364.405 3.398 0 1 FGAF Cc1onc(-c2nc3c(O)nncc3[nH]2)c1COc1ccccc1Cl 587063605 QPKHNYOGHOLYPQ-UHFFFAOYSA-N 357.757 3.254 0 1 FGAF Oc1cccc2c1OCC(c1nc3cc(CN4CCOCC4)ccc3[nH]1)=C2 586908796 RJTVCMOQAXFVGD-UHFFFAOYSA-N 363.417 3.034 0 1 FGAF CNc1c(F)cccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587135435 AKIQZRZBIOUHSC-UHFFFAOYSA-N 351.385 3.166 0 1 FGAF CCOC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587171577 OSWHPKBPPVUZJL-UHFFFAOYSA-N 356.353 3.336 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C)[C@@H](C2)C3=O 587440458 ZUJOSFJQJSYYQC-PYDTXJQDSA-N 373.449 3.458 0 1 FGAF CC(=O)[C@@]1(c2cccc(Cl)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023845 IHBWFKNBXAASGV-XCLFUZPHSA-N 354.837 3.226 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)NCCc3c(C(=O)O)cccc32)C1 963129500 FTIHJXPKPZEMRF-SZNDQCEHSA-N 374.481 3.393 0 1 FGAF Cc1csc([C@]2(C(F)(F)F)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963036472 XOZQTNJQODJCAJ-MGPLVRAMSA-N 367.396 3.311 0 1 FGAF CCn1cc(-c2ccc(F)cc2)c(=O)c2cc(F)c(N3CCNCC3)cc21 1772612644 NWCBLKFSLQRCJT-UHFFFAOYSA-N 369.415 3.376 0 1 FGAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccco1)[C@@H]23 169333597 RFYBTPGLYXFVBL-VELGLUOQSA-N 360.498 3.298 0 1 FGAF CC[C@H](NC(=O)CN1CCN(c2cccc(OC)c2)CC1)c1ccccc1 203475385 SFDFUPBBYZIJPB-NRFANRHFSA-N 367.493 3.085 0 3 FGAF CCOc1cc(C)ccc1Oc1cccc(Cl)c1CN=c1[nH][nH]c(=N)[nH]1 1857599121 OPWFCBVVTDENIM-UHFFFAOYSA-N 373.844 3.404 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3cnc4ccccc43)cc2)S1 1857637914 PXKNQYRSNVTRNQ-KRWDZBQOSA-N 367.430 3.009 0 1 FGAF COc1ccccc1NC(=O)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C 1857754938 HLVFBKZWWXNATR-ZDUSSCGKSA-N 365.433 3.281 0 1 FGAF CCOC(=O)c1c(Nc2nc(C)c(C(=O)NC)s2)sc(C)c1C 3255146 DLLXOBHVSHDZTN-UHFFFAOYSA-N 353.469 3.410 0 3 FGAF CN(C)c1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1 4239131 PDUWSHZAWJVOTQ-UHFFFAOYSA-N 369.475 3.091 0 1 FGAF COc1cc(C[C@@H]2C(=O)OC[C@@]2(C)Cc2ccc(O)c(OC)c2)ccc1O 2356356247 ZAMXGUXQNPYBCF-QVKFZJNVSA-N 372.417 3.080 0 1 FGAF COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2)cc(OC)c1OC 58582856 BMUJFZPBYUTHJY-QGZVFWFLSA-N 355.438 3.217 0 1 FGAF COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1 22939123 VDRHJXBQYDEUAX-UHFFFAOYSA-N 354.494 3.107 0 1 FGAF COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1OC 103236635 FDPJUCRBSXQXFO-OSYLJGHBSA-N 370.449 3.222 0 1 FGAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCNCC2)cc1 22939495 SGSNUYVZXCAQRH-NRFANRHFSA-N 351.494 3.163 0 1 FGAF CN1[C@@H]2CC[C@@H](OC(=O)CC(O)(c3ccccc3)c3ccccc3)[C@H]1CC2 29472043 FGERHULCSOKYAS-PWRODBHTSA-N 365.473 3.481 0 1 FGAF C[C@@H](Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1 28342073 CWQTXKTYLNBFFC-LLVKDONJSA-N 358.446 3.482 0 1 FGAF CC=C(CC)c1c(O)cc2c(c1O)[C@H](O)[C@@H](O)[C@@H](c1ccc(O)cc1)O2 2356430481 LNOFDVSWGARPID-XUVXKRRUSA-N 358.390 3.145 0 1 FGAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc4c(c3)OC[C@H](CO)O4)cc12 219339013 BRQAEPHTOJCMSJ-JTQLQIEISA-N 359.765 3.319 0 1 FGAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC(C)(C)C)C2 15709147 VXTJFOBUKFUVAA-DZGCQCFKSA-N 361.482 3.423 0 1 FGAF biogenic C[C@@H](CC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 195505176 PGWOBVRIBXLYFJ-WSMBLCCSSA-N 357.592 3.472 0 1 FGAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(O)c21 45496377 GUCSYYMRPJFWDL-UHFFFAOYSA-N 358.353 3.197 0 1 FGAF Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)on1 143182464 DHUBPWWKXOFWPD-OAHLLOKOSA-N 368.393 3.166 0 1 FGAF COc1ccc(-c2cc(=O)c3c(OC)c(O)c(OC)c(OC)c3o2)cc1 95099454 MDKXAXNIBKSBLH-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro COc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)c(OC(C)=O)c1 238762564 MHJUFABULJTCLR-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 95912714 JYELHVZHUTYKGP-WJJPVSRMSA-N 374.477 3.432 0 1 FGAF biogenic,in-vitro O=C(O)CNC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21 299832528 ISALHTCQJORZRQ-UHFFFAOYSA-N 359.385 3.057 0 1 FGAF CC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126997 JWSFXZUTVPHQPL-UHFFFAOYSA-N 369.324 3.121 0 1 FGAF COCCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863434 JTVNNLYJBVULNF-UHFFFAOYSA-N 373.400 3.337 0 1 FGAF COc1nccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161403 NJIKSFJXTOWAGY-UHFFFAOYSA-N 358.764 3.066 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nccs1 587869847 TXXFXLVPFPHCMN-UHFFFAOYSA-N 354.313 3.118 0 1 FGAF COc1cccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586929528 XIZZDYADMQDYMX-UHFFFAOYSA-N 365.842 3.046 0 1 FGAF C[C@H](O)c1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587021132 FSSFRSNPDQNUDG-YFKPBYRVSA-N 368.212 3.200 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@]1(c4cccc(F)c4)CCOC1)[C@@H](C2)C3=O 587428323 MFLGAVMWAAJLRZ-NDXORKPFSA-N 354.377 3.309 0 1 FGAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587933518 ZDCVGKPOCUCFPK-SCLBCKFNSA-N 358.419 3.263 0 1 FGAF C[C@@]1(c2ccnc(Cl)n2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962772296 VRCCQBHPJXKLMY-XHDPSFHLSA-N 355.747 3.039 0 1 FGAF CCn1cc([C@@]2(CC(=O)C(F)(F)F)NCCc3ccc(F)c(C)c32)cn1 962143786 JDZDXIDYNCFVFA-QGZVFWFLSA-N 369.362 3.261 0 1 FGAF CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(CC2CC2)C(=O)N1CC1CC1 5962804 WVVSZAZDAIVXOJ-ZRNYENFQSA-N 366.546 3.095 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2cc(F)ccc2F)nc2ccc(C)cn12 1857594589 TXYFGEAXEDIILD-UHFFFAOYSA-N 372.375 3.313 0 1 FGAF CC(C)C(=O)O[C@H](OC(=O)NCC1(CC(=O)O)CCCCC1)C(C)C 3990533 BAFWUBNBKVTLKL-MRXNPFEDSA-N 357.447 3.319 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 100028526 GWFBIOJMCSLYBK-LXMVLSBBSA-N 358.394 3.066 0 1 FGAF Nc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@H]1CCc3ccccc3C1=N2 53246999 AECMDTLIMQWHQN-HZPDHXFCSA-N 356.433 3.491 0 1 FGAF CCCNC[C@H](O)COc1cccc2c(=O)c(-c3ccccc3)coc12 27098546 NXSCGBSXWJOKFK-INIZCTEOSA-N 353.418 3.199 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1C(F)(F)c1[nH]ncc12 114840850 KSVGWDBXEILHPJ-STQMWFEESA-N 373.812 3.453 0 1 FGAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@@]1(C)O 2356523661 AFIBREVUBDLIAK-NJDAHSKKSA-N 356.441 3.028 0 1 FGAF COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 4222624 MAUKZDZPGRICGP-WMLDXEAASA-N 373.493 3.376 0 1 FGAF biogenic CO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 238761547 OGMABKWVTZVRID-FDYSGDSTSA-N 366.498 3.080 0 1 FGAF COC(=O)c1sc2cc(Oc3cccc(OC)c3OC)cnc2c1N 96937295 NMDMNCSLYUJGLQ-UHFFFAOYSA-N 360.391 3.475 0 1 FGAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@H]4C3)n1)CCCC[C@@H]2c1ccccc1 253633314 KMYVBYYBQAUEAL-SCTDSRPQSA-N 363.509 3.105 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(C)n1 587866169 WXLMOCUFJIUYCB-UHFFFAOYSA-N 364.327 3.390 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(COC(C)=O)cs1)[C@@H](C2)C3=O 587453861 UZEAJQCXZQWIKV-IFXJQAMLSA-N 358.415 3.483 0 1 FGAF CN[C@H](c1cccnc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587225487 XAAAOOGONHGORV-GFCCVEGCSA-N 353.170 3.307 0 1 FGAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cnn(C)c1 587622455 BJYPAKNPPRIXEP-UHFFFAOYSA-N 358.199 3.080 0 1 FGAF CC[C@H]1CN=C(Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)S1 587564102 OFCFHPDCFUVILY-LBPRGKRZSA-N 367.434 3.396 0 1 FGAF O=c1ccc(-c2nc3ncc[nH]c-3n2)cn1Cc1ccc(Cl)cc1Cl 587054513 HYJHJHBVIGMNRO-UHFFFAOYSA-N 372.215 3.488 0 1 FGAF CC[C@]1([C@@H](N=O)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587738574 BHZLCXIPVQKZMW-AFEMSUNCSA-N 373.222 3.036 0 1 FGAF CCOC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592526 ADGGBVFTOFJHTF-OXQOHEQNSA-N 356.374 3.312 0 1 FGAF CC(C)N1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580056 BDNVRGRCQLEJDV-HLLQZAQXSA-N 353.418 3.453 0 1 FGAF NC(=O)c1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168426 VQUIEQOATBKGDN-OAHLLOKOSA-N 367.384 3.170 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118765 PNXHKFLRKMGVEQ-UHFFFAOYSA-N 372.734 3.461 0 1 FGAF COc1c(F)ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c1N 587135181 UYPWGPJNTWONGV-UHFFFAOYSA-N 351.179 3.426 0 1 FGAF COc1cccc(-c2cc(F)cc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 587160048 DMERKCFFXMYSRJ-UHFFFAOYSA-N 352.325 3.246 0 1 FGAF Cc1cn(CCN(C)Cc2cccc(Oc3ccccc3)c2)c(=O)nc1O 1772620211 IBLQUQGLTGHCCE-UHFFFAOYSA-N 365.433 3.182 0 1 FGAF C[C@H]1CCC[C@@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C 13637333 QJYUYRKWNRGDRB-WOSRLPQWSA-N 369.556 3.048 0 1 FGAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2cccnc2)o1 169686035 YRDUOKJCWFOFMN-MOPGFXCFSA-N 374.396 3.135 0 1 FGAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccccc4)cccn3[nH]1)C2 1857752459 BXQJZJQFDUGDQE-KRWDZBQOSA-N 358.449 3.004 0 1 FGAF COc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857759856 RXYBVIDHAWBWAD-CYBMUJFWSA-N 365.433 3.281 0 1 FGAF CC=CCCC(=O)C[C@H](O)CCO[C@@]1(CCC=CC)C[C@@H](O)CCO1 2356335091 SRMFPPPFRLKNNH-HSALFYBXSA-N 354.487 3.293 0 1 FGAF O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2ncccn2)CC1 8613976 UPZZHBPRBBJERF-UHFFFAOYSA-N 368.334 3.490 0 1 FGAF COc1cccc(Cn2nc(C)c(Cc3ccc4c(c3)OCO4)c2O)c1 28765995 GWEKLAHLTWMJBK-UHFFFAOYSA-N 352.390 3.274 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cccc(-n2ccnc2)c1 100035834 GHQJEBVTLZPJAL-CQGUWYRNSA-N 367.405 3.293 0 1 FGAF CCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)nn2C)C1 61925703 RIDLVOAIOPFSDZ-OAQYLSRUSA-N 354.498 3.215 0 3 FGAF C[C@H](Cn1cncn1)NC1CCN(c2cccc(-c3ccco3)c2)CC1 23367963 AOQVXUQMYWIXIU-MRXNPFEDSA-N 351.454 3.185 0 1 FGAF CO[C@@H]1C=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@@H](O)CC[C@]1(C)O 2356751171 MSXZCYVPXWHMLP-IZZBFERCSA-N 366.498 3.292 0 1 FGAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccccc1 2356806138 AFFSAPDOMRPIOA-QWFCFKBJSA-N 372.582 3.169 0 1 FGAF O=C1CC[C@@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CCN12 36289138 XIMBWYVCWCNCSS-UTKZUKDTSA-N 367.880 3.230 0 1 FGAF CC1(C)C=Cc2c(O)c3c(c(CO)c2O1)O[C@@H](c1ccc(O)cc1)CC3=O 13461350 NDFCDWPCDQESDP-MRXNPFEDSA-N 368.385 3.481 0 1 FGAF biogenic O=C(NC[C@@H]1CCCO1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911575987 YCJXPCGLNOBEQG-LBPRGKRZSA-N 357.360 3.417 0 1 FGAF OCc1cc(Br)c(O)c(Br)c1Br 14769579 DLQHCXKTWMVQNM-UHFFFAOYSA-N 360.827 3.172 0 1 FGAF biogenic O=c1c(-c2ccc(O)cc2)coc2cc(OCCn3ccnc3)cc(O)c12 40429736 YPBTZQFVLQYFHQ-UHFFFAOYSA-N 364.357 3.147 0 1 FGAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc12 84669446 CMSUARVIQHTJGC-IBGZPJMESA-N 360.413 3.365 0 1 FGAF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21C=C(N)N(C)O1 146790053 ZDSBZIIUGHFAOZ-ZUEZHPSSSA-N 364.489 3.452 0 1 FGAF Cc1ccc2nc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 143003444 KLBYQGDDYSIOLY-HUUCEWRRSA-N 359.437 3.438 0 1 FGAF Cc1cccnc1[C@H](NC(=O)[C@@H]1CC[C@H](c2ccco2)NC1=O)C(C)C 618015470 YHICRXHZOOBKGR-BFYDXBDKSA-N 355.438 3.064 0 1 FGAF C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 473101694 KLSJFJAHROCGEA-GFCCVEGCSA-N 370.359 3.357 0 1 FGAF Nc1cnc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)nc1 587252292 BTEXZYJTAAGFQQ-UHFFFAOYSA-N 358.121 3.383 0 1 FGAF COc1c(F)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587134631 RYEOAIXKCNQIQE-UHFFFAOYSA-N 359.376 3.349 0 1 FGAF COC(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587765743 DDLNPCHOFYCBOH-SNVBAGLBSA-N 371.250 3.180 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@H]1N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436449 RIECSUFDYYJGGX-GDCLHMSGSA-N 371.433 3.353 0 1 FGAF COc1ccc(Br)nc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587371974 IXRKOCWTALXPKM-ZDUSSCGKSA-N 363.211 3.450 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586890909 PQMBQMDSWQRMGL-PJHJGJPPSA-N 359.495 3.281 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2ccc3ncccc3c2[nH]1 587570742 XNSIOTMHRJSPCW-UHFFFAOYSA-N 371.437 3.030 0 1 FGAF CCN1C=C(C(=O)O)[C@@]2(NCCc3ccc(F)c(C)c32)c2cccc(F)c21 962378602 TYLAGKDWUNATRW-NRFANRHFSA-N 370.399 3.471 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H]3CCC[C@H]3c3ccccc3)ncc12 1772612981 HOCDXOLRPKMQJC-DZGCQCFKSA-N 351.410 3.424 0 1 FGAF O=C(CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1 13725792 IAUZGCNQOIQSCT-UHFFFAOYSA-N 352.438 3.130 0 1 FGAF COc1ccc(Cl)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccccc1 1857745726 ALFZJJYSHPGCRJ-LLVKDONJSA-N 368.842 3.098 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C(=O)O[C@H]4O)[C@@]3(C)CC[C@@H]21 2356388605 LATVQMDENFSLIO-PNGLKSESSA-N 362.466 3.354 0 1 FGAF Cc1nnc(SCC(=O)NCc2ccco2)c2cc3sccc3n12 6893826 CUQORLJLOIFANH-UHFFFAOYSA-N 358.448 3.254 0 1 FGAF O=C(Cc1nc2ncc(Br)cc2nc1O)c1ccc(F)cc1 8578278 RKNUKPLCLKVGKX-UHFFFAOYSA-N 362.158 3.057 0 1 FGAF CC(=O)NCCC[C@H]1OC[C@H](Oc2ccc(OC3CCCC3)cc2)CO1 101381555 LKVHUUGGRUJFML-BGYRXZFFSA-N 363.454 3.045 0 1 FGAF NC(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620848 PCMBJZJEXBDIDN-CTNGQTDRSA-N 373.456 3.379 0 1 FGAF Nc1nc2c(s1)[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 114841241 NZTIWRLDGRISFM-GWCFXTLKSA-N 369.899 3.219 0 1 FGAF COC(=O)CCc1cc(Br)c(OC)c(Br)c1O 28652138 ZZEYBEHYCZLQEU-UHFFFAOYSA-N 368.021 3.031 0 1 FGAF O=C1c2nc3cc(-c4cccs4)nn3c(O)c2CN1Cc1ccccc1 29127658 FYXNONLYEABOLM-UHFFFAOYSA-N 362.414 3.319 0 1 FGAF Cc1csc(-c2ccc3c(c2)[C@H](N2CCCC2=O)[C@H](O)C(C)(C)O3)n1 27554953 XDOSTNIBEIRRKC-IRXDYDNUSA-N 358.463 3.314 0 1 FGAF O=C(NCCOc1nc(N2CCCC2)nc2ccccc12)c1cccs1 1911573230 IYMZLNFVUYEEJT-UHFFFAOYSA-N 368.462 3.100 0 1 FGAF O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@@H]1c1ccccc1 39228939 WBNCOWROIWIPRI-PKOBYXMFSA-N 351.450 3.332 0 1 FGAF COc1cc(OC)c2c(c1)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 15148318 RTXLHOJTUWYEAH-UHFFFAOYSA-N 365.341 3.201 0 1 FGAF biogenic CCN(CC)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206641 LGDIRMAPOMVEOK-GDBMZVCRSA-N 361.482 3.376 0 1 FGAF biogenic CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 254047924 SWMLFRMOWVYIDT-JXXVXVCISA-N 362.510 3.135 0 3 FGAF O=C(Nc1ccc(F)cc1Cl)c1cc(I)n[nH]1 473109152 PZHXEAUCBOFMFP-UHFFFAOYSA-N 365.533 3.059 0 1 FGAF CCOC(=O)c1ccc2nc(-c3ccccc3S(=O)(=O)CC)[nH]c2c1 586923066 XKDKDZVZIGOJLR-UHFFFAOYSA-N 358.419 3.200 0 1 FGAF O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587503012 WBHJEWYOCSVDAW-UHFFFAOYSA-N 367.367 3.454 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn2cccnc12 587585728 HGOVJZQXWPXASL-LPHOPBHVSA-N 359.341 3.138 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587440930 BXHJOPRRDMVOJM-QKKBWIMNSA-N 370.401 3.384 0 1 FGAF Clc1cncc2nc(-c3cncc(I)c3)[nH]c12 587184051 BQYDODTYJAOAQP-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N(C)C 587385905 FUOOUOAOHIOTIU-GOSISDBHSA-N 354.406 3.136 0 1 FGAF O=C1CC=Cn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587589993 ZCVVPODHZQZDCT-XLIONFOSSA-N 374.352 3.349 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccccc12 587797343 WJTGQDRLWORQBQ-VVVCHXIZSA-N 361.214 3.318 0 1 FGAF CO[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358102 PIOMXQFGGWYRCQ-QWFCFKBJSA-N 358.365 3.064 0 1 FGAF C[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1cc(Cl)cn1 587079638 LPWRAQMFZQTCOS-SNVBAGLBSA-N 369.816 3.081 0 1 FGAF COc1cc2c3c(c1)O[C@](CCCN(C)N=O)(c1cccnc1)[C@@H](C2)C3=O 587427307 CYLCOEKLGVJKFZ-OXJNMPFZSA-N 367.405 3.127 0 1 FGAF Cc1ccc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1O 1772612437 CJOKKTZKHDGZJD-UHFFFAOYSA-N 357.417 3.429 0 1 FGAF COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(F)cc2[nH]1 1772627411 NLBOPOVQNPJWGV-UHFFFAOYSA-N 359.382 3.219 0 1 FGAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccncc1)CCCC3 169686324 MXUPEBJSNJKCCA-DLBZAZTESA-N 364.449 3.355 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2cc(F)cc(F)c2)nn1 201479163 ZYSKFUKJGDHEEW-UHFFFAOYSA-N 372.375 3.074 0 3 FGAF CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4cccc(F)c4)C3)nn2c1=O 19521706 PEIQJDKEGBXCFI-HNNXBMFYSA-N 354.429 3.022 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632158 LKNYHWXHAONTOU-GUYCJALGSA-N 352.459 3.360 0 1 FGAF COc1cc2c3c([nH]c2cc1Br)C(=C1NC=C[C@H]1OC)NC=C3 2356303597 ZJAYQMOYDHZTFO-CYBMUJFWSA-N 374.238 3.313 0 1 FGAF CCOCCCN1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCC1 8609987 UQUCJJNCXGTVGS-QFIPXVFZSA-N 372.509 3.319 0 1 FGAF O=C(Nc1cccs1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680077 NKDFEHHAQSGATN-UHFFFAOYSA-N 373.478 3.031 0 3 FGAF COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 28375680 OTQDOUPIWGZMPM-UHFFFAOYSA-N 365.794 3.256 0 1 FGAF COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C 114033472 RJZPAFGZMMTXND-UHFFFAOYSA-N 355.419 3.261 0 1 FGAF C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 29461362 IQLJMUHXUMZOMQ-PCUGXKRQSA-N 361.445 3.045 0 1 FGAF COc1cc(C2=C(O)C3=C4C(=CC(O)=C[C@H]4OC=C3)O2)cc(OC)c1O 2356834151 JZWQESBEIGGLKP-GFCCVEGCSA-N 356.330 3.215 0 1 FGAF COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1[C@H](C2=O)N(C)C=C3 2356841108 NEVGFPZQESJQNT-GOSISDBHSA-N 353.374 3.239 0 1 FGAF CCCCN1CCN(CCOc2nc3ccsc3n3cccc23)CC1 40895292 HHQXJGHYZVMVLV-UHFFFAOYSA-N 358.511 3.346 0 1 FGAF CC(=O)N(C)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144803160 SGCZGCHFWJCVPG-SFHVURJKSA-N 365.351 3.322 0 1 FGAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@@H]2CO 95872120 CCINGVMSXCWVJW-WEYGHZABSA-N 350.462 3.464 0 1 FGAF O=C(NCC[C@@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261178030 VJVRBLJCNBJLJZ-GFCCVEGCSA-N 369.400 3.312 0 1 FGAF Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3N)nn2c(O)c1C 299867884 QQNDGMKWQJTEMR-KRWDZBQOSA-N 365.437 3.001 0 1 FGAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1O[C@H](C)c1ccccc1 473154900 MJKJXGXGLOUICM-LLVKDONJSA-N 359.817 3.036 0 1 FGAF C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 653793975 SBXPUBIKBOERFX-LLVKDONJSA-N 361.380 3.390 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437989 MPFOIGVLHOCXJN-MIUNTBIASA-N 359.422 3.068 0 1 FGAF CCOC(=O)c1cc(Br)c2nc(/C=C/C=C\C(=O)O)[nH]c2c1 587965288 JEXVESHAGXKTMI-UZNMPDEFSA-N 365.183 3.156 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1nc(Br)cs1)[C@@H](C2)C3=O 587453668 XZRJJDOSFCLOME-ISVAXAHUSA-N 352.209 3.403 0 1 FGAF CCOC(=O)C(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522441 LXWYRPFMGHJKRZ-IERDGZPVSA-N 356.418 3.202 0 1 FGAF Cc1cc(Br)cc2nc(CNC(=O)c3cscn3)[nH]c12 587028277 OVVQVGYGTAKUGT-UHFFFAOYSA-N 351.229 3.020 0 1 FGAF COc1ccc(-n2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587433198 WFHBRKDIHIRMJF-UTKZUKDTSA-N 362.385 3.378 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)nc1F)[C@@H](C2)C3=O 587427414 IBCWPPBAPURTLX-LIRRHRJNSA-N 354.381 3.318 0 1 FGAF COCCCNC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863394 ZDAGIEXPWSVIIS-UHFFFAOYSA-N 357.332 3.172 0 1 FGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587614609 DDOVJFQUVWBTCQ-LPHOPBHVSA-N 366.325 3.475 0 1 FGAF Cc1c(F)ccc2c1[C@H](c1ncc(I)s1)NCC2 962299551 OMMMEACDGRFNCW-GFCCVEGCSA-N 374.222 3.430 0 1 FGAF CC[C@]1(c2c[nH]c(C(=O)OC)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963602645 AITUPAARUSCUBJ-MPBGBICISA-N 358.438 3.006 0 1 FGAF Nc1nc(NCCc2cccc(O)c2)nc2sc(-c3ccco3)nc12 1772609702 BPJQHNKRHLCRCJ-UHFFFAOYSA-N 353.407 3.289 0 1 FGAF COC(=O)/C(=C/c1cccc(OC)c1)c1cc(OC)c(OC)c(OC)c1 13724703 YXWITAFFNJWZRP-MHWRWJLKSA-N 358.390 3.435 0 1 FGAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1cccnc1)CCCC3 169686320 QKASVMQQXRDCAW-DLBZAZTESA-N 364.449 3.355 0 1 FGAF CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1 2972875 VCGOQTRDKALRGU-UHFFFAOYSA-N 359.401 3.044 0 3 FGAF CN1C(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(F)cc1 28389752 UFKFKQYESQIERK-GDNBJRDFSA-N 356.378 3.128 0 1 FGAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1 116821570 NSYQEJAIIUUYDV-OALUTQOASA-N 372.472 3.455 0 1 FGAF CO[C@@H]1c2ccccc2O[C@@H](c2ccc(OC(C)=O)cc2)[C@@H]1OC(C)=O 2356416268 NWSFMWPYMFJSED-ZCNNSNEGSA-N 356.374 3.365 0 1 FGAF Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1 73199577 SXTDBNDGQWAIKW-UHFFFAOYSA-N 361.449 3.450 0 1 FGAF OC[C@@H]1CC[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)O1 27317542 LVTQBRHVNWJLNJ-WFASDCNBSA-N 350.850 3.499 0 1 FGAF CCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(C)C 29213305 WOZSMIPJJJIAJZ-MJGOQNOKSA-N 350.528 3.056 0 1 FGAF CN(CCOc1ccc2[nH]cc(CC(=O)O)c2c1)c1nc2ccccc2o1 71331223 NCWJUYQHBXDDQK-UHFFFAOYSA-N 365.389 3.451 0 1 FGAF Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Cl 73195746 FGSXPFIJRVGTDM-UHFFFAOYSA-N 368.817 3.473 0 1 FGAF COc1ccc(-c2c(C)nc3c(N4CC=CC4)cc(C)nn23)cc1OC 1911576566 NALDYFWJCVHXKQ-UHFFFAOYSA-N 350.422 3.407 0 1 FGAF Oc1cccc(-c2nc3c(NCC4CC4)ncnc3n2C[C@H]2CCCO2)c1 82179472 NUZXTCOYNVYNNQ-MRXNPFEDSA-N 365.437 3.200 0 1 FGAF Cc1cncc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 84604804 ODJFDRMLQDQXNY-JOCHJYFZSA-N 356.429 3.297 0 1 FGAF CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O 95590286 VKHQVZALROIDPM-UHFFFAOYSA-N 358.398 3.108 0 1 FGAF Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144287026 MDTXPAMYMXPVET-CVEARBPZSA-N 351.381 3.394 0 1 FGAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O 95565923 VMUKZTRCWGVBDU-UHFFFAOYSA-N 370.453 3.067 0 1 FGAF CCCC[C@H](CCC(=O)O)NC(=O)CCCC(=O)NCc1ccccc1 653861847 UWWUUPRQECSNCO-QGZVFWFLSA-N 362.470 3.013 0 1 FGAF N[C@@H](N=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983597 FODOVEIRUCBDNC-DOMZBBRYSA-N 374.242 3.292 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2n1 587135965 IYPQYZQIBWFESD-UHFFFAOYSA-N 358.373 3.310 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O 587439683 MIEYDGJCTJPEKI-LTMIRXACSA-N 363.457 3.424 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O 587097007 NJYKBVVJLAONBZ-LBBIBPJZSA-N 370.408 3.067 0 1 FGAF CCS(=O)(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 587239493 PNCAZQLOIXQDLJ-UHFFFAOYSA-N 371.462 3.155 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2CNC=O)N1 587743081 NUKPFRADZSRXHZ-BTJLNZGRSA-N 369.278 3.254 0 1 FGAF COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cn1 587121150 VDYHICMYGQTJIH-UHFFFAOYSA-N 351.210 3.394 0 1 FGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1C[C@@H]1CCCO1 962919711 KYAMAJNHTNRTGD-ZAAXVRCTSA-N 372.440 3.111 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc3cccnc3c2)N1 963228718 IHSHTBBRHZIIQL-SFTDATJTSA-N 355.397 3.471 0 1 FGAF CC(C)(C)c1cc(-n2cc(CCCNC(=N)N)nn2)cc(C(C)(C)C)c1 1772574099 CWRVAGAFUVRKTO-UHFFFAOYSA-N 356.518 3.278 0 1 FGAF Cc1ccc(S(=O)(=O)/N=c2/[nH]c(-c3ccc(O)c(C)c3)cs2)cc1 13776367 JNLUXBUTTJOENI-UHFFFAOYSA-N 360.460 3.355 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 169723964 PQFSOZYHJGHBCM-RDJZCZTQSA-N 359.422 3.355 0 1 FGAF O=C(c1ccncc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 3955773 WPJHZUZTTMHJHE-UHFFFAOYSA-N 356.495 3.057 0 1 FGAF CC[C@H](C)NC(=O)CN1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 4972148 YAUOAXGFZRFVIU-HOTGVXAUSA-N 363.461 3.174 0 1 FGAF Cc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccc(C(C)C)cc1)N=2 104227133 BKPHWSKLFUVENI-UHFFFAOYSA-N 354.457 3.255 0 3 FGAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1cccnc1 101656883 YSXVYXGZUZSTKR-JASJWYONSA-N 358.423 3.343 0 1 FGAF CCCc1ccccc1-c1nc2c([nH]1)c(=O)n(CCC)c(=O)n2CCC 27710989 IYKFAALPORVMQX-UHFFFAOYSA-N 354.454 3.326 0 1 FGAF CCCCOC(=O)CCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66073848 PKTLVBGOQZSRMR-UHFFFAOYSA-N 374.890 3.377 0 1 FGAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@H](O)C(C)(C)O 2356662691 BZMLULUMBUVADU-CQSZACIVSA-N 356.846 3.273 0 1 FGAF CCN(CC)C[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356746273 JEHHSBMABMVSQZ-GGPKGHCWSA-N 362.445 3.274 0 1 FGAF O=C(c1nc2ccccc2s1)[C@@H]1CCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 28397739 PPXMXPNQGMHBDU-UGQVUOCMSA-N 369.490 3.001 0 1 FGAF O=C(NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1)C1CC1 72103096 PQSAWUXAQXFNSU-LJQANCHMSA-N 370.884 3.210 0 1 FGAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCO)c1ccccc1 36184680 SGPBCFRSJZPAQO-HXUWFJFHSA-N 373.403 3.382 0 1 FGAF O=C1c2cc(O)cc(O)c2[C@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 14638036 BADTYSQKXNDGFG-MOPGFXCFSA-N 364.353 3.327 0 1 FGAF biogenic O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2cc(F)ccc12 49034845 LXGVLIKOOQJCKX-AWEZNQCLSA-N 362.401 3.287 0 1 FGAF CCOc1cc(-c2cc(=O)n3ncc(-c4ncco4)c3[nH]2)ccc1Cl 142739998 XGOGDHURRWAXOC-UHFFFAOYSA-N 356.769 3.397 0 1 FGAF COc1ccc(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 653847479 DGQFUPWZWHFLHF-FQEVSTJZSA-N 365.433 3.253 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 586946519 LRASREPRJKWNNA-UHFFFAOYSA-N 363.870 3.218 0 1 FGAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587089918 IRHMBNYCKKXPOJ-CYBMUJFWSA-N 351.731 3.319 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3ncccc23)N1 587798880 XFVSDPJUITXAMV-JDNHERCYSA-N 361.218 3.255 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1C 587616404 JNFGVMVSHBVAIA-DKHMUTIVSA-N 354.358 3.064 0 1 FGAF NC1CC(Cc2nc3cc(Br)c(Br)cc3[nH]2)C1 587255313 LBLSVHFCZKTQSJ-UHFFFAOYSA-N 359.065 3.368 0 1 FGAF COC(=O)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1OC 587114983 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MYSPWCCWTAMXSR-AWEZNQCLSA-N 364.409 3.098 0 1 FGAF Fc1ccc2[nH]c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)c2c1 587175711 ZPVQBORXOKTNPS-UHFFFAOYSA-N 353.748 3.479 0 1 FGAF CCOc1ccc([C@@H]2c3cc(OC)ccc3CCN2CCCOC)cn1 961316917 DIYZYJZRJSVPLU-OAQYLSRUSA-N 356.466 3.473 0 1 FGAF C[C@@H]1C[C@@]2(CCO1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963184606 PNUMQRZUMPJXFM-ZBVHDKTDSA-N 363.763 3.352 0 1 FGAF CC(C)CC(=O)OC[C@@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 13517871 PHRFEDMLKOKUBM-YYFKYVOKSA-N 354.487 3.498 0 1 FGAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(C)c1=O 13536197 GKYFJQPCQAVEGW-UHFFFAOYSA-N 359.470 3.399 0 1 FGAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N1CCCC1 13747448 AOVQPBHEWLUVPM-UHFFFAOYSA-N 354.472 3.362 0 1 FGAF CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@@H](CO)CC3)n1 13985870 AMLKAXKHAOGCFY-OAHLLOKOSA-N 367.428 3.448 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]314 169295033 HZCJHCKFTKJLFP-VYXDICFBSA-N 353.462 3.104 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@@H]3CCO3)c2cn1)c1ccccc1 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362.311 3.364 0 1 FGAF COc1cc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)ccc1-c1cn[nH]c1 1772589174 OORBXCUUHIIWJV-QGZVFWFLSA-N 371.824 3.202 0 1 FGAF Cc1oc(-c2ccccc2)nc1COc1cccc(CN(O)C(N)=O)c1 13604015 DRBIBGSQJBONGE-UHFFFAOYSA-N 353.378 3.499 0 1 FGAF O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C[C@@H](CCCO)CCCO1 13829118 RVTUNYBFQNZSLG-WMLDXEAASA-N 359.388 3.193 0 3 FGAF O=C1NCN(c2ccccc2)C12CCN(CCCCc1ccccc1)CC2 13832620 SPPBTNFMHDABPE-UHFFFAOYSA-N 363.505 3.438 0 1 FGAF O[C@]1(c2ccc(Cl)cc2)[C@@H](N2CCCC2)c2ccccc2C2=NCCN21 1662073 KVHQKANIWGGWBY-PZJWPPBQSA-N 367.880 3.398 0 1 FGAF COc1cc2c(cc1O)O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@H](O)C4 59085729 SEIHXYPYVZURAM-SVIJTADQSA-N 370.401 3.085 0 1 FGAF COc1ccc([C@H](O)[C@@H](CO)CC=Cc2ccc(OC)c(OC)c2)cc1 2356758922 SHDASTAWVAKOSS-UTKZUKDTSA-N 358.434 3.458 0 1 FGAF COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2OC 34648425 NBHQVSARENATMP-HXUWFJFHSA-N 368.364 3.389 0 1 FGAF COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CC[S@]3=O)cc1 40504965 XUHYHIPIGBPDJL-VWLOTQADSA-N 354.431 3.356 0 1 FGAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCNC(C)=O 82186956 AUXNXDGBTHNSGO-UHFFFAOYSA-N 360.506 3.153 0 1 FGAF COc1ccc(C[C@H]2c3c(ccc(OC)c3OC)CCN2C)cc1OC 40568211 OGVDKFSBZXJYDD-INIZCTEOSA-N 357.450 3.493 0 1 FGAF Cc1csc2ncnc(N3CCC(CNCC[C@@H]4CCCN4C)CC3)c12 146459773 LTYZWYKLJMEIAN-KRWDZBQOSA-N 373.570 3.290 0 1 FGAF COC(=O)C1=C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@@H](C)O1 238754240 ZLQMRLSBXKQKMG-GQGSAGHOSA-N 352.434 3.179 0 1 FGAF COc1cccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)c1 95578385 HJAIACYBZSZYNF-FQEVSTJZSA-N 369.465 3.044 0 1 FGAF Cc1cccnc1[C@H](NC(=O)[C@H]1CC[C@@H](c2ccco2)NC1=O)C(C)C 618015473 YHICRXHZOOBKGR-YQQAZPJKSA-N 355.438 3.064 0 1 FGAF Cc1ccc2nccn2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473162946 XJFBDCBGJMCQTF-IKGGRYGDSA-N 362.433 3.110 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN[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 299815022 QQXUUMQSOLWVHI-JSRPDPEZSA-N 354.538 3.341 0 1 FGAF CS(=O)(=O)c1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1 653681024 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28646638 HBUZKCMRMAMMDZ-YRISNDGFSA-N 367.518 3.124 0 1 FGAF COc1ccc2c(c1)c(CNCCO)c(C)n2C(=O)c1ccc(Cl)cc1 71296357 UGEPMPWMZNVUBC-UHFFFAOYSA-N 372.852 3.382 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccc(C)cc2)nn1 1911579649 SWXWXTJVPKKJQB-UXBLZVDNSA-N 365.389 3.261 0 1 FGAF CCSc1n[nH]c(/C=C\C(=O)Nc2ccc(Br)cc2)n1 49053056 BCIRJTRKDOYOOS-FPLPWBNLSA-N 353.245 3.331 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 199266810 JFAHESNWERTQFK-ZBFHGGJFSA-N 360.454 3.167 0 3 FGAF CC(C)n1nc([C@H](O)c2cccc(Cl)c2Cl)c2c(N)ncnc21 95582691 IBJQIGCACUEGRG-CYBMUJFWSA-N 352.225 3.378 0 1 FGAF COc1ccc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1O 238773859 DJHDOMQWAUJNKX-YJPXFSGGSA-N 372.417 3.493 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253674261 RWBGTUPTUTZUOU-ISGMEVKKSA-N 369.505 3.452 0 1 FGAF O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1ccnc1 299835150 LUVFYELCNQAENZ-UHFFFAOYSA-N 362.433 3.461 0 1 FGAF O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1nc2ccccc2s1 299834481 JJPMIAUXFOGRMC-UHFFFAOYSA-N 359.794 3.496 0 1 FGAF CC(C)(C)[C@@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 473108004 KXDHBTAVFFEGDR-FQEVSTJZSA-N 358.526 3.443 0 1 FGAF COc1ccc2c(C(=O)C(=O)NCCc3c[nH]c4ccccc34)c[nH]c2c1 653826052 BPWMPNAFYBLOQA-UHFFFAOYSA-N 361.401 3.199 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncnc3[nH]1)N2 587031941 QPPJJJUGAOQCLH-QQCYMQAYSA-N 372.479 3.480 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc(-c4cnn(C)c4)cs1)[C@@H](C2)C3=O 587451360 NPRPUPGWBCAHQH-SJCJKPOMSA-N 353.403 3.041 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587786844 RVRSJNQBXVTMGH-GHMZBOCLSA-N 362.311 3.315 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc12 587134450 LOEAKTFCZBMHNZ-UHFFFAOYSA-N 357.288 3.257 0 1 FGAF C[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592403 YMHFOHLXQCELHO-JXFKEZNVSA-N 365.341 3.296 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016776 NPUDNSKACDAQSS-CQSZACIVSA-N 363.464 3.332 0 1 FGAF CC(C)COc1cccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587565891 MJUAPCONOFGUDW-UHFFFAOYSA-N 364.409 3.152 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)N(CC(C)C)c4ccccc41)[C@@H](C2)C3=O 587435852 LHHXAKVBXDWZGC-AOMKIAJQSA-N 363.413 3.341 0 1 FGAF COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@H]1N=O)[C@@H](C2)C3=O 587429732 QUXHOZZMTHCIAO-XAUMDUMWSA-N 351.358 3.038 0 1 FGAF Nc1ncnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587151888 VGKFOLJGUXTGBL-HNNXBMFYSA-N 353.332 3.382 0 1 FGAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(OC)c1O 962622810 CIYUEHJDFVZDLN-BLVKFPJESA-N 373.449 3.392 0 1 FGAF C[C@H]1C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc2O1 12472364 QZEZNMUOSGMGOE-WCBMZHEXSA-N 374.673 3.120 0 3 FGAF CCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1 13471988 UMYBZVYPQATGDV-UHFFFAOYSA-N 355.485 3.099 0 1 FGAF CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2 169331842 NMUQYLRAMRYBOP-UHFFFAOYSA-N 359.861 3.218 0 1 FGAF COc1cc(OC)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 169351452 MZCVJPMLDSTTJA-CQSZACIVSA-N 369.805 3.065 0 1 FGAF COc1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)cc1 1857558943 IOTVHEFPSAFHSY-UHFFFAOYSA-N 359.433 3.316 0 1 FGAF COc1ccc(/C=C/[S@@](=O)c2cc(OC)c(OC)c(OC)c2)cc1N 1857654341 GIBFDGKQCLDKNR-LAUDKDLHSA-N 363.435 3.082 0 1 FGAF C[C@]1(C(=O)NCCOc2ccccc2)CON=C1c1cccc(Cl)c1 2471129 LIKJTAPOOKPRTR-IBGZPJMESA-N 358.825 3.276 0 1 FGAF CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 4238229 LNFOXFZVGRTHAZ-UHFFFAOYSA-N 371.444 3.027 0 1 FGAF CCC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C 4907431 PTJAQGZYOACEMS-UHFFFAOYSA-N 350.440 3.095 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CCCN(C(=O)CO)[C@@]3(C)CC[C@H]12 26965391 LIKBOJNXLDAXPE-YUWXWWRGSA-N 363.542 3.353 0 1 FGAF O=C(NCCN1CCN([C@@H]2CCCc3ccccc32)CC1)c1ccccc1 22777670 GFORNYWGPFXWHV-JOCHJYFZSA-N 363.505 3.112 0 1 FGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 117692019 QLEJMZSGBHLAJO-LLVKDONJSA-N 359.389 3.074 0 1 FGAF O=C(Nc1cc(-c2n[nH]c(=O)n2-c2ccc3ccccc3c2)ccn1)C1CC1 66058787 LTKLQMAKAFTREX-UHFFFAOYSA-N 371.400 3.124 0 1 FGAF Cc1c(Cl)c(O)c2c(c1Cl)O[C@H]1C=C(O)C=C(C(=O)O)[C@@H]1C2=O 2356789893 DVRLCCLBMCXAFM-YUMQZZPRSA-N 357.145 3.034 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@@H](C2)N1 73199706 LKNYHWXHAONTOU-SUMWQHHRSA-N 352.459 3.360 0 1 FGAF C[C@@H](Nc1nc(-c2ccc(C(=O)O)c(O)c2)cnc1N)c1ccccc1 96284820 CFMRRNWKLDNQFO-LLVKDONJSA-N 350.378 3.303 0 1 FGAF Cc1ccc(OCC(=O)N(Cc2nc(-c3ccncc3)no2)C(C)C)cc1 95605251 NDNHTHFQRHPXHG-UHFFFAOYSA-N 366.421 3.256 0 1 FGAF COc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)c1 97166011 NSMCIEPEYSIJRB-UHFFFAOYSA-N 354.362 3.341 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)Oc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253641659 RLATZNIHDCUZGM-FRYIKTPZSA-N 365.429 3.300 0 1 FGAF CS(=O)(=O)c1ccc(CN2CC[C@@H](c3nc4cc(F)ccc4[nH]3)C2)cc1 51076706 VFDBRKORZKHPPZ-CQSZACIVSA-N 373.453 3.095 0 1 FGAF biogenic Cc1noc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587793825 LKSXKLDFXQLADH-GLEZIHRCSA-N 354.223 3.272 0 1 FGAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(F)cnc(Br)c3[nH]1)C2 586888790 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O=c1[nH]n(C2CCNCC2)nc1CCC(c1ccccc1)c1ccccc1 1857764809 HHIQULQGWVZDOB-UHFFFAOYSA-N 362.477 3.261 0 1 FGAF CN(C)C(=O)c1ccc(Nc2ncc(-c3ccc(C(=O)O)cc3)cn2)cc1 1857770362 FEAGVHOLSFWNHN-UHFFFAOYSA-N 362.389 3.287 0 1 FGAF Cn1cc2c(NS(=O)(=O)c3ccc(Br)cc3)cccc2n1 1251567582 SVVQIHGVJNPXLH-UHFFFAOYSA-N 366.240 3.137 0 1 FGAF COc1ccccc1N1CCC(CNC[C@@H]2COc3ccccc3O2)CC1 3811175 XYBADQIMVGSILK-GOSISDBHSA-N 368.477 3.341 0 1 FGAF Cc1nc(-c2ccccc2C)c(NC(=O)c2cnn3ccc(N)nc23)s1 113759438 ZGNIKBGFAOAKMH-UHFFFAOYSA-N 364.434 3.304 0 1 FGAF CN1CCC(N2CCOc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 28376526 ZSGQFGGURANEFP-UHFFFAOYSA-N 369.440 3.371 0 1 FGAF CCCCCC[C@@H]1C(=O)O[C@H]1C[C@@H](CCCCC)OC(=O)CNC=O 62154041 SJWQMBGIEHFWCP-IKGGRYGDSA-N 355.475 3.127 0 1 FGAF CN1CCN(CCCNc2ccnc3cc(C(F)(F)F)ccc23)CC1 64516706 ATIUDOXABGEADF-UHFFFAOYSA-N 352.404 3.303 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(Cl)c2)C1 36380653 XHYPWFBQSCBDIX-UHFFFAOYSA-N 364.902 3.397 0 1 FGAF Cc1cc(=O)[nH]c(SCC(=O)NCCCCCCc2ccccc2)n1 72110856 YAGMJQSXXVLPGT-UHFFFAOYSA-N 359.495 3.090 0 1 FGAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 72113414 OXPVGBYDQUCGMX-PXCRPINLSA-N 370.493 3.257 0 1 FGAF CCOC(=O)C1=C(Nc2ccc(C)cc2)N=C(c2ccccc2)N2CCN=C12 45285937 PNLXJFMFAXSZEX-UHFFFAOYSA-N 374.444 3.356 0 1 FGAF CCC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc(O)c1 49803919 LOLFKKQHIFLOFL-YLJYHZDGSA-N 364.401 3.211 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5oncc5C)c4[nH]3)ccc21 142975998 AUDDJOJWATYOAB-UHFFFAOYSA-N 360.377 3.023 0 1 FGAF C[C@@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 142281567 JCAKIRPULCVXNW-SECBINFHSA-N 353.407 3.317 0 1 FGAF CC(C)CS(=O)(=O)c1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1 146315219 HXCJLVBXFJMNHR-UHFFFAOYSA-N 352.500 3.259 0 1 FGAF COC(=O)CN(C)CC(=O)N[C@@H]1[C@H](C(C)C)CC[C@H](C)[C@@]12C=C(C)CC2 38280266 JWROISLFQFHVRT-ZCLUNYJNSA-N 364.530 3.005 0 1 FGAF biogenic CC(C)N(C(=O)[C@@]12[C@H]3[C@@H]4[C@@H]5[C@H]3[C@@]1(C(=O)N(C(C)C)C(C)C)[C@H]5[C@@H]42)C(C)C 299814411 GJEVPNNDIBPZIY-VBKUAYQTSA-N 358.526 3.015 0 1 FGAF COc1cc(CCC(=O)Oc2cc3oc(=O)ccc3cc2OC)ccc1O 299861251 HZQYPZJHTVNLSU-UHFFFAOYSA-N 370.357 3.054 0 1 FGAF CCCCNCC1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]3C1 299811750 JRAMAKRATQPWFA-BNUXRISVSA-N 368.521 3.290 0 1 FGAF O=C(CNC(=O)c1cnc2ccccc2c1)N[C@@H]1CCCc2ccccc21 149060677 NUZUCUGCAZQUDH-HXUWFJFHSA-N 359.429 3.158 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H](C)C1CC1 587869332 GPBKLYLROAKEKA-VIFPVBQESA-N 370.400 3.494 0 1 FGAF Cc1cc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c(C)n1 587038915 UYNFDJPHECVBQR-NSHDSACASA-N 368.466 3.322 0 1 FGAF COC(=O)c1cccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 587155822 IBEVUOIJTOLQFE-UHFFFAOYSA-N 366.352 3.350 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC(N)=O)c3ccccc13)O2 587389036 DPJUHTDCDONGHH-LJQANCHMSA-N 363.417 3.114 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C(C)C)CC2=O 587482526 PBLDBAVIEPLOSH-FQEVSTJZSA-N 362.422 3.227 0 1 FGAF COc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Cl)c1O 587046121 KQRHYQURWJTYGL-UHFFFAOYSA-N 372.856 3.349 0 1 FGAF N[C@H](N=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586911980 BFGWUBBTVMDWHA-QGZVFWFLSA-N 352.394 3.089 0 1 FGAF O=C(COc1ccccc1-c1nc2ncc[nH]c-2n1)Nc1ccccc1F 587153920 FCVKRAKBHYLYOL-UHFFFAOYSA-N 363.352 3.128 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152418 MXNNDLADAXGACU-WDEREUQCSA-N 350.346 3.359 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)o1)O2 587387026 NSHMTKUDUWQEML-LBPRGKRZSA-N 369.158 3.481 0 1 FGAF CCCN=c1[nH]c(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452637 RZVDTYMCSICJLU-BFUOFWGJSA-N 358.463 3.367 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(CO)cc2[nH]1 586972026 DEHZUAKSWOBUFZ-GOSISDBHSA-N 355.463 3.166 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4cc(N)c(N)cc4[nH]3)n2C)cc1 586965245 HHHJQUMDXYCFHQ-UHFFFAOYSA-N 365.466 3.124 0 1 FGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(F)cc2[nH]1 586965328 NMPZHOXOLWRFFT-UHFFFAOYSA-N 371.445 3.159 0 1 FGAF CN(C)CCOc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587044340 SWGYQUQNMFEIOS-UHFFFAOYSA-N 368.462 3.215 0 1 FGAF COc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774312 MGDXUAMXWXMKAD-CLAHSXSESA-N 352.207 3.010 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCC[C@H](O)C2)N1 963182318 NLJXQEMDDGDDSO-ZSGNIPIJSA-N 363.763 3.088 0 1 FGAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)NCCc3c(C(=O)O)cccc32)c1 963120521 JGMBERXBIWLPTC-NRFANRHFSA-N 351.402 3.199 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@@H]([C@H]2COC3(CCCCC3)O2)N1)C(F)(F)F 962767657 PVWOIRSZWHKMDX-XHSDSOJGSA-N 369.383 3.449 0 1 FGAF CC[C@]1(c2cc(C(=O)O)ccc2F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024834 MENSVDKEYDRLLC-ZSEKCTLFSA-N 368.408 3.231 0 1 FGAF CCCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1OC 963523335 HEAKYLUGVKQOCF-JXFKEZNVSA-N 371.433 3.186 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@@](C)(COC)c3ccccc3)ncc12 1772633598 DXEPIWIEEGZQOM-IBGZPJMESA-N 369.425 3.040 0 1 FGAF O=C([C@@H]1CCCN(c2ccc3nc(C4CCC4)[nH]c3n2)C1)N1CCCC1 1772609041 XJZWBXZGMRWNRJ-OAHLLOKOSA-N 353.470 3.064 0 1 FGAF CC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)s1 11666920 PCCIAWZYILXPMN-CQSZACIVSA-N 372.446 3.396 0 1 FGAF O=C(CC[C@H]1CCCN(c2ncccn2)C1)NCc1ccc(F)c(F)c1 12202948 NLKPBPPHSDTHHE-CQSZACIVSA-N 360.408 3.068 0 3 FGAF COC(=O)Cc1ccc(=O)oc1CC(=O)OC/C=C(\C)CCC=C(C)C 14620139 BIQNCHSICZSXCV-XNTDXEJSSA-N 362.422 3.134 0 1 FGAF CC(C)(C)CC(C)(C)NC(=O)[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050264 VVZRHKJTXZLNKW-INIZCTEOSA-N 356.466 3.326 0 3 FGAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](OCc1ccc(F)cc1)C2 1857538982 HYBOJXGBVWSNGV-MRXNPFEDSA-N 359.445 3.208 0 1 FGAF [C-]#[N+]c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCCC)cc1 1857579979 PGVUQNSQIZSADN-SFHVURJKSA-N 353.397 3.244 0 1 FGAF CCC(=O)[C@@H]1O[C@](O)(CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356322501 LMVJVYFIOXLTDX-CPLUKWAASA-N 350.455 3.149 0 1 FGAF COc1cc2c(c(OC)c1OC)CCN[C@@H]2Cc1cc2c(cc1C)OCO2 2356391326 PEWLKZOAQJUFOD-MRXNPFEDSA-N 371.433 3.179 0 1 FGAF Cn1c(CO[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2F)nc2ccccc21 2356349200 WYWHVGRNSFQBOK-MAUKXSAKSA-N 368.412 3.344 0 1 FGAF O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CC2)CC1 53243566 ZAQDFHIRFSOUNU-UHFFFAOYSA-N 355.413 3.323 0 1 FGAF C=CCN(C)C(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206660 FWTBZFHAHIOLGV-HOCLYGCPSA-N 359.466 3.152 0 1 FGAF biogenic O=C(Nc1nc2ccccc2s1)[C@H]1C(=O)N2CCCc3cc(F)cc1c32 100658432 KRVFPRJSESASCD-HNNXBMFYSA-N 367.405 3.451 0 1 FGAF COc1ccc(OC[C@@H](N)CC(C)C)c2cc(-c3nc(C)no3)n(C)c12 103224952 XNHGSBDJPIBZMD-ZDUSSCGKSA-N 358.442 3.298 0 1 FGAF O=C(c1nc2ccccc2s1)[C@@H]1CCCN1C(=O)CNC1CCCCC1 28372553 JUKKLTLYMFFAKS-INIZCTEOSA-N 371.506 3.392 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)O)[C@H](C)[C@@H]3[C@H](O)C[C@@H]12 2356571493 SRURFZLFGGVPRV-OFUDQJRXSA-N 364.482 3.410 0 1 FGAF O=C(OCCCc1cccnc1)[C@H]1CCCN1C(=O)NC1CCCCC1 27557933 STPGWHMKNRKRTJ-GOSISDBHSA-N 359.470 3.064 0 1 FGAF CC[C@H](C)C(=O)OCC(O)(COC(=O)[C@@H](C)CC)c1ccc(C)cc1O 2356653066 ZJCVZNYWABUXAX-GJZGRUSLSA-N 366.454 3.067 0 1 FGAF CC[C@@H]1CN(C)C[C@@H]2[C@H](C(=O)OC)c3c([nH]c4ccccc34)C(=O)C[C@@H]12 2356681994 CGNGBKBFEZALRJ-MOMAJJCNSA-N 354.450 3.215 0 1 FGAF COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)c1 2356690092 MGDNKOAMJCAUJL-NLEAXPPASA-N 372.417 3.493 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cncn1)O2 72127929 DAKAJURYXRYRJG-SZBWWIKHSA-N 358.486 3.067 0 1 FGAF CC(C)NC(=O)[C@]1(C)CSCC(=O)N1Cc1cccc(C(F)(F)F)c1 199231147 OTIGCTFBKSBGDL-INIZCTEOSA-N 374.428 3.064 0 3 FGAF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2cccc(Cl)c2)C1 84710056 HATLWKOQMXWYIE-UHFFFAOYSA-N 362.857 3.426 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@@H]21 261124463 KAQKFAOMNZTLHT-RKWVJPMUSA-N 352.471 3.409 0 1 FGAF in-vitro CC(C)c1c(CN(C)CCc2ccccn2)n(C)n(-c2ccccc2)c1=O 299831775 ROJQUWJHFVVHMW-UHFFFAOYSA-N 364.493 3.369 0 1 FGAF Cc1ncc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1 653737731 JSKGRNMNSFBKJQ-DLBZAZTESA-N 357.479 3.328 0 1 FGAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(F)c2)c1 587138464 JSIOBFWWEYCVLH-UHFFFAOYSA-N 368.299 3.369 0 1 FGAF Oc1nc(O)c2ccc(-c3cnc(Nc4ccc(F)cc4)s3)nc2n1 587370044 SWUWHQPVPIALLR-UHFFFAOYSA-N 355.354 3.442 0 1 FGAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587225909 ZCJBWSLOHILVFN-GFCCVEGCSA-N 357.286 3.316 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)[nH]2)N1 587789746 FVWIOUQYJJEREX-WJWGPLDTSA-N 353.191 3.238 0 1 FGAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587397841 BVGIZPAFWKAFQI-KKSFZXQISA-N 351.402 3.173 0 1 FGAF O=S(=O)(Cc1nc2ccc(Br)c(F)c2[nH]1)C1CCCC1 586924202 KZUYLSHCUJQCLJ-UHFFFAOYSA-N 361.236 3.322 0 1 FGAF COc1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)c(OC)c1 587652943 PFQYZTXNXCITBK-UHFFFAOYSA-N 359.769 3.147 0 1 FGAF FC(F)(F)Oc1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586908860 TVGFKGBRORCPGM-UHFFFAOYSA-N 367.121 3.139 0 1 FGAF Cc1nc(Br)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587011280 MUYWIPOWIHCABK-JTQLQIEISA-N 352.217 3.481 0 1 FGAF NC(=O)c1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076483 MBUNJVNYCLCLGB-UHFFFAOYSA-N 367.796 3.150 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(c4nc(C)cs4)CC1)[C@@H](C2)C3=O 587449081 DSXQDCKVNJYKED-AWEZNQCLSA-N 356.447 3.247 0 1 FGAF Cc1ccc(OCc2cc(C(=O)N[C@H](C)Cc3cccc(C)n3)no2)cn1 11937553 QFHCJULFNFFSDD-OAHLLOKOSA-N 366.421 3.021 0 3 FGAF CC(C)C(=O)Nc1ncc([S@@](=O)Cc2ncc(C(C)(C)C)o2)s1 13490955 GTTXLAIKLNNNQH-HSZRJFAPSA-N 355.485 3.331 0 1 FGAF CCCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820209 NEHJXQPQNFMIKM-HOJAQTOUSA-N 362.539 3.200 0 1 FGAF CC1(C)NC(=O)N(c2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)C1=O 150192915 BUQRXVHOLHZBJQ-UHFFFAOYSA-N 365.389 3.133 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3ncns3)CC2)CC1 1857595509 YOARLQVFXZCGDZ-INIZCTEOSA-N 373.526 3.180 0 1 FGAF OC[C@H](NCCCCc1ccccc1)c1ccc(O)c2nc(O)ccc12 1857773848 NDVLICYVHZFVDY-SFHVURJKSA-N 352.434 3.292 0 1 FGAF Cn1c(=O)c(-c2cccs2)nc2cnc(OCc3ccccc3)nc21 4239156 IVIXLRHUBJEOCG-UHFFFAOYSA-N 350.403 3.031 0 1 FGAF COC(=O)C1=CCC[C@@](C)(O)C=C[C@@]2(C(C)C)CC[C@](C)(O)[C@@H](CC1)O2 2356388702 OFJJTBHDOUZRJP-PBASOCQRSA-N 366.498 3.292 0 1 FGAF CC(C)[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C)C(=O)N1 100087526 QFIUZUGIFYOZOV-XASOIFFZSA-N 358.482 3.405 0 1 FGAF NCCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 58590473 MPEXHDSIFAAJAL-NRFANRHFSA-N 371.912 3.313 0 1 FGAF in-vivo CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCOCC2)c[nH]c1=S 28338751 ZJALNFHDACXAOP-CQSZACIVSA-N 367.421 3.296 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=CCCCC(=O)OC)C[C@@H]21 2356599666 ILBOWKBQZSFVCD-FLNBYBTLSA-N 364.482 3.273 0 1 FGAF COc1ccc2c(c1OC)C(=O)[C@H]1c3c(cc4c(c3-2)OCO4)C=CN1C 2356819076 DYTIEHIRXBMULE-QGZVFWFLSA-N 351.358 3.253 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(C)cc2C)C1 36380830 UCKKVIIOJPALGX-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF CN(C)CCCN1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 39223495 IJSIBXVLNRATNY-GMAHTHKFSA-N 366.505 3.031 0 1 FGAF CCN1C(=O)CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 43199833 CXJGALUKEJTMJA-LBPRGKRZSA-N 362.779 3.376 0 1 FGAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)co2)cc1 82073076 IHJALEXFWSDCJY-SFHVURJKSA-N 367.449 3.267 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[C@@H]2CCCCN2CC1 40466809 BHLFSULBTRYLAE-STQMWFEESA-N 351.878 3.068 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2nnccc2c1=O 49066990 JZQVHVWLVCTLJZ-UHFFFAOYSA-N 357.369 3.205 0 1 FGAF CCn1ncc2c(-c3cc(=O)n4nc(C)c(-c5ncc(C)o5)c4[nH]3)cccc21 143216587 BTLCIXXEEXTFFJ-UHFFFAOYSA-N 374.404 3.331 0 1 FGAF CNc1ccc(C(=O)C2CCN([C@H]3Cc4ccccc4C[C@H]3O)CC2)cc1 96273559 MDFFDSDCXAZBFF-FCHUYYIVSA-N 364.489 3.151 0 1 FGAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(Br)cc1 96248448 YRXUATCBFOOCNO-GDBMZVCRSA-N 351.288 3.454 0 1 FGAF Cc1cccc(NC(=O)c2ccc(N3CCc4cc(O)ccc4C3)nc2)n1 653786521 LTZBFAYTFUJFIU-UHFFFAOYSA-N 360.417 3.306 0 1 FGAF c1ccc(CNc2ncccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587230380 UEMPHXOWYGSRBL-UHFFFAOYSA-N 368.404 3.213 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587116947 NIDSKBSEXPGISJ-UHFFFAOYSA-N 362.670 3.473 0 1 FGAF Nc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572442 VCMJGPIXNNPMHH-CRAIPNDOSA-N 352.321 3.211 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062826 WUGMEDHTEBAZHP-UHFFFAOYSA-N 364.858 3.079 0 1 FGAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587195383 JGWQZJAQVYSBJB-CYBMUJFWSA-N 372.494 3.031 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3n[nH]cc32)N1 587795153 NNQPMRSXUKRICW-ABKXIKBNSA-N 350.235 3.425 0 1 FGAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cnc2[nH]1)C[C@@H]1CCCO1 587197232 MLEYYPNUBOJSGQ-LBPRGKRZSA-N 350.394 3.013 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587738531 PCLWXTQSDQBSRG-UOWDBTKRSA-N 356.214 3.393 0 1 FGAF COC(=O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589869 AXQJPEFVMPBRHD-WMHILYHISA-N 368.385 3.456 0 1 FGAF Cc1ccc(C)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 586931828 LMBRPIHHTPRHQE-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF Cc1nc(COc2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cs1 587020252 KFIZQIWUOUFYRM-UHFFFAOYSA-N 372.841 3.381 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3c(c1)CCCC3)O2 587408147 NEUIBZKNOAYTGC-NRFANRHFSA-N 351.402 3.401 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)N1CCCC1 587870054 UFPWIEVRXXEGEI-LLVKDONJSA-N 368.359 3.097 0 1 FGAF CCOC(=O)c1ccccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963020197 GAIUTXSYBXDPIZ-RBZFPXEDSA-N 350.418 3.006 0 1 FGAF CC(C)c1nn(C)c2c1[C@@](C)(Cc1ncccc1Br)NCC2 962907700 IIBKGDDOOKBMQU-QGZVFWFLSA-N 363.303 3.305 0 1 FGAF CCN(C)C[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183396 IYBDCXVHIOFNHM-NHYWBVRUSA-N 364.795 3.125 0 1 FGAF CCC(CC)(NC(=O)c1cccc(-c2ccc(Cl)cc2)n1)C(=O)NC 206693948 YQBCNOJHSPFHPI-UHFFFAOYSA-N 359.857 3.437 0 1 FGAF COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150255523 XRFAUTYOXDGQFN-KRWDZBQOSA-N 360.454 3.065 0 1 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169302239 GIZCUFCOBVPITN-DEXZHOSCSA-N 355.478 3.062 0 1 FGAF CCc1cc(CNC(=O)c2ccc(OC)c(OCc3cccnc3)c2)on1 169302600 BNVQFNWOUIDRFC-UHFFFAOYSA-N 367.405 3.150 0 1 FGAF CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 203855094 SPZVYNXXPJLBRR-KRWDZBQOSA-N 372.490 3.113 0 1 FGAF Cc1c(C)c2ccc(OCCC3CCN(CCCO)CC3)cc2oc1=O 1857597655 USWOPWMEAAWHOM-UHFFFAOYSA-N 359.466 3.273 0 1 FGAF Cc1ccccc1N(C)CCN(C)C(=O)CSCc1c(C)noc1C 1857608601 ZCOBDPFVEWNCAY-UHFFFAOYSA-N 361.511 3.428 0 1 FGAF O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2s1 1652426 FUOCEEAFEGERRU-UHFFFAOYSA-N 369.515 3.282 0 1 FGAF Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)N(C)Cc3ccccc3)n12 2947787 FMAKPZHBEXSJGY-INIZCTEOSA-N 374.444 3.177 0 1 FGAF Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 4106018 PUPBVTHFUFLUAI-AREMUKBSSA-N 369.421 3.334 0 1 FGAF CN(C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1)c1ccccc1 2356474181 GZDBUPRMPUGVRU-VWPQPMDRSA-N 363.505 3.263 0 1 FGAF O=S(=O)(c1ccccc1F)n1cc(C2=CCCNC2)c2ccccc21 28525895 JRYJFXSUNKFRJM-UHFFFAOYSA-N 356.422 3.394 0 1 FGAF O=S(=O)(Cc1ccc(Cl)cc1)NCCCCCCc1c[nH]cn1 26834450 QURCOUWCDUIWNH-UHFFFAOYSA-N 355.891 3.286 0 1 FGAF Cc1nc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)sc1C 29332207 PNSZRMPAQOOLTF-UHFFFAOYSA-N 368.505 3.412 0 1 FGAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356477572 AEHQXGJWNFLWOF-PFDOBSCMSA-N 360.413 3.004 0 1 FGAF O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] 28861781 DTAURENBPDRJRX-UHFFFAOYSA-N 374.727 3.071 0 1 FGAF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CN 114099597 ZZNYJVPPIKMXAB-CYBMUJFWSA-N 354.878 3.081 0 1 FGAF CC(C)=CCCC(C)=CCOc1ccc(C[C@H]2NC(=O)[C@@H](C)NC2=O)cc1 2356609339 WNQHFIWBXDAPMW-YLJYHZDGSA-N 370.493 3.304 0 1 FGAF C[C@@]12C[C@H]3C=C(Cc4ccccc4)[C@@H]1[C@H](O)[C@@]1(CO)CC[C@H]1[C@@](O)(C3)C2 2356779962 GYLMOFNQXNCIAR-MRLVVUTMSA-N 354.490 3.086 0 1 FGAF CC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCCCC4)c3c2)CC1 64527270 YCVZDHTUWRUCBR-UHFFFAOYSA-N 368.525 3.320 0 1 FGAF COc1ccc([C@H]2Oc3c(OC)cc([C@@H](O)[C@H](C)O)cc3[C@@H]2C)cc1OC 38622600 CPAGSSOMSLQZRD-HIGYNYDNSA-N 374.433 3.364 0 1 FGAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)C)cn1 71295796 HWLMFLICZZAURM-UHFFFAOYSA-N 369.440 3.474 0 1 FGAF Cc1ccc(Cl)cc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O 72120957 AYKIZKBEHIAKPS-MOPGFXCFSA-N 370.880 3.197 0 1 FGAF CC(C)[C@@]1(c2c[nH]c(-c3ccc4ccccc4c3)cc2=O)OC(=O)NC1=O 71333781 TZOZLXCJBIJCEG-NRFANRHFSA-N 362.385 3.313 0 1 FGAF CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)CC1 73168787 ZIOQNWMDXNKWMR-UHFFFAOYSA-N 352.225 3.017 0 1 FGAF COCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82136225 XQXGLUBPTVSWEU-UHFFFAOYSA-N 372.444 3.404 0 1 FGAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)N(C)Cc1ccccc1 49070382 TWDATJUBDIEMDM-JOCHJYFZSA-N 350.462 3.269 0 1 FGAF CCc1nc(C(=O)N[C@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 82070020 JISKKDAZYJVIID-KRWDZBQOSA-N 363.527 3.467 0 1 FGAF CCCNC(=O)n1c(=O)n(Cc2ccccc2)c2c3ccccc3ncc21 49045534 PKAMAYPBVUTMGI-UHFFFAOYSA-N 360.417 3.367 0 1 FGAF O=C(OB(c1cccc(Cl)c1)c1cccc(Cl)c1)c1ncccc1O 195218291 WXYNERIYVRWDKC-UHFFFAOYSA-N 372.016 3.057 0 1 FGAF Cc1ncsc1[C@@H](NC(=O)OCCCCO[N+](=O)[O-])c1ccccc1 95554779 PLDABMFGBVSTPE-AWEZNQCLSA-N 365.411 3.256 0 1 FGAF Cc1nc(C(=O)NCCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 146669375 ONTIZNOVYGAMON-UHFFFAOYSA-N 366.373 3.246 0 1 FGAF O=C1CS[C@H](c2ccccn2)N1c1nnc2c3ccccc3nc-2s1 98083749 MEEVDZZYSVIVSP-MRXNPFEDSA-N 365.443 3.365 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2C(=O)O)N1 587789327 CUVFXDJRDOAQRI-JKYUHCHBSA-N 353.191 3.238 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)s1)([C@@H](C)O)[C@@H](C2)C3=O 587449231 BSNVTWMFFLFOAN-PRIPVJGGSA-N 350.823 3.434 0 1 FGAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587141780 BTZOBTUKUUBYBC-UHFFFAOYSA-N 360.197 3.323 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587230885 JNJINWNIAUZHJP-UWVGGRQHSA-N 371.268 3.301 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(N)ccnc2[nH]1 587190517 KXQAOUGTCRJGQV-HNNXBMFYSA-N 353.426 3.496 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5nc(O)[nH]c5cc4[nH]1)(C3)C2 587951032 QKSIVVDMVGLMNX-WFSAKUOBSA-N 366.421 3.298 0 1 FGAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587044666 MFHFNYVPUJQUON-UHFFFAOYSA-N 374.615 3.361 0 1 FGAF N=c1nc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c(Cl)[nH]1 587243102 AEUSSTTVFGFWOI-UHFFFAOYSA-N 364.796 3.338 0 1 FGAF Cc1ccc(CNc2nc(CN3CCCC[C@H]3CO)nc3ccccc23)o1 12050990 CQVMBCLEVMODRI-INIZCTEOSA-N 366.465 3.490 0 1 FGAF CC/C=C\C[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 13521620 ANOICLBSJIMQTA-VVLGNWSJSA-N 350.455 3.027 0 1 FGAF in-vitro CCCOc1ccc([C@H]2N=C(N)N=C(N)N2c2cccc(Cl)c2)cc1 13559325 KNQLUUYDCOXNAX-INIZCTEOSA-N 357.845 3.277 0 1 FGAF C[C@H]1C[C@H]([C@@H]2C[C@@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H](O)[C@H](C)C1 17260326 GZWODCBDYVQTID-UJOVPXOCSA-N 365.514 3.190 0 1 FGAF C[C@H](NC(=O)c1cc(-c2cn[nH]c2)nc2cc(F)ccc12)C(F)(F)F 19301064 ATFUEURUAFAOIT-QMMMGPOBSA-N 352.291 3.445 0 1 FGAF NC(=S)N1N=C(Nc2nc(-c3ccccc3)c[nH]2)C[C@@H]1c1ccccc1 169350076 YMWXERRAHYZMRB-MRXNPFEDSA-N 362.462 3.493 0 1 FGAF COc1ccc([C@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N 1857771833 CENMWWFOPVIYSJ-BBATYDOGSA-N 372.421 3.027 0 1 FGAF O=C(OCCN1CCCCC1)[C@H](c1ccccc1)C1(O)CCSCC1 1640723 YFISNCVTMLVPGF-SFHVURJKSA-N 363.523 3.057 0 1 FGAF C[C@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCCC1 2497646 LLNFGNPHTJFVFI-CQSZACIVSA-N 370.449 3.042 0 1 FGAF Cc1cc2nc(CO[C@H]3CN(Cc4ccccn4)C[C@@H]3F)[nH]c2cc1C 2356387852 JPNCARVVMIBOBS-LPHOPBHVSA-N 354.429 3.314 0 1 FGAF COc1nc2c(N(C)C)nc(C(F)(F)F)nc2n1Cc1ccc(C)cc1 29392435 YCHIVUHYLQTTMK-UHFFFAOYSA-N 365.359 3.276 0 1 FGAF COc1cccc(-c2cc3nc(NCCCN(C)C)n(C)c(=O)c3s2)c1 61903610 SQARIDQFSOMGRJ-UHFFFAOYSA-N 372.494 3.034 0 3 FGAF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)[C@H](O)C2=O 2356600524 OSTWBWVLHIOYRT-WOJBJXKFSA-N 370.401 3.292 0 1 FGAF CCCc1cc(=O)oc2c(C(=O)N3CCCCC3)c(OC)cc(OC)c12 70463289 UYHGIFKOTHACEO-UHFFFAOYSA-N 359.422 3.389 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@@H](O)[C@H](c1ccccc1)O3)C=CC(C)(C)O2 14684690 APXKYALORJTRLL-OTWHNJEPSA-N 354.402 3.407 0 1 FGAF biogenic CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@](O)(C3CC3)CC2)cc1 43058918 FADBIJOEYIMLDD-IBGZPJMESA-N 351.512 3.300 0 1 FGAF COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 43009158 KAFILMATCGJLAJ-DOMZBBRYSA-N 353.388 3.492 0 1 FGAF COc1cc(C(=O)O[C@@H](c2ccc3c(c2)OCO3)[C@H](C)C(C)=O)ccc1O 198043281 RDGSTQATNIUZGD-NSPYISDASA-N 372.373 3.253 0 1 FGAF COc1cccc(-c2oc3c(C)c(OC)c(C)c(O)c3c(=O)c2O)c1O 238788928 PHMNCOLHEQMJBU-UHFFFAOYSA-N 358.346 3.211 0 1 FGAF COc1ccc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 238749131 BURBOJZOZGMMQF-LHHVKLHASA-N 356.374 3.205 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@@H]12 257428874 GSQUXSFTXJRLQJ-BJESRGMDSA-N 360.505 3.061 0 1 FGAF endogenous,in-man Cc1ccc(CNC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650605 OVTXKJVDCAHVIQ-UHFFFAOYSA-N 356.447 3.118 0 1 FGAF CN[C@H](c1cccnc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587222238 IVESFPLSVHXRCH-SNVBAGLBSA-N 352.623 3.078 0 1 FGAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CN1C 587346653 SGIWEWUAHPFWFF-TZIWHRDSSA-N 367.376 3.047 0 1 FGAF CC[C@@]1(c2ncnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345140 YLJXOPOKROPIBT-YLJYHZDGSA-N 367.380 3.324 0 1 FGAF CCOC(=O)C[C@]1(c2cccc(O)c2)CC(=O)c2cc(C)cc(N)c2O1 587401701 WRCZQSOIDDALDZ-FQEVSTJZSA-N 355.390 3.097 0 1 FGAF COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1F 586920720 PRGBERBVAVCZHN-UHFFFAOYSA-N 374.437 3.216 0 1 FGAF N[C@H](c1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)cc1F 587151752 VPIZHXDPQFRVGW-VIFPVBQESA-N 357.133 3.186 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)c3ccsc3)nc2c1 587025011 IDGWOBZYSZNJQX-NSHDSACASA-N 366.240 3.222 0 1 FGAF O=C1C[C@@](Cn2cncn2)(C2(Cl)CC2)Oc2c1ccc1c2CCCC1 587497809 KZVUCESYEPGVCE-LJQANCHMSA-N 357.841 3.333 0 1 FGAF O=C(O)[C@H]1C(c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]1C(=O)O 587969981 CVDHOOCSUONWBC-GJZGRUSLSA-N 354.387 3.213 0 1 FGAF COC(=O)c1cc2[nH]c([C@@H](C)[C@H](O)c3ccc(OC)cc3)nc2cc1OC 587934396 DJWLLITZIITNIM-VOJFVSQTSA-N 370.405 3.204 0 1 FGAF CN(C)c1nc(Cl)c([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963028919 MOJAZWFZJKZVSP-XPTSAGLGSA-N 362.886 3.005 0 1 FGAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(-c2nn[nH]n2)cc1 963279295 GCYJWQGHHAZCCP-MRXNPFEDSA-N 370.254 3.207 0 1 FGAF CCOC(=O)c1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c[nH]1 962635828 UWOBQVDVLNJEHS-KPZWWZAWSA-N 358.438 3.174 0 1 FGAF COC(=O)C[C@H]1CCCC[C@]12NCCc1cc3cccc(OC)c3nc12 963050373 CVWKLDBFDWVFOD-IERDGZPVSA-N 354.450 3.338 0 1 FGAF CCOC(=O)CC[C@]1(c2cccc(OC)c2)NCCc2c(C)ccnc21 963068192 KBYMVESSISLXCM-OAQYLSRUSA-N 354.450 3.131 0 1 FGAF O=Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962648335 ZMIZJTXTDQACRE-OCCSQVGLSA-N 371.336 3.148 0 1 FGAF COc1ccc2[nH]c([S@@](=O)Cc3nccc(OC(C)C)c3C)nc2c1 13603900 MEDNYXVFCDNDOW-RUZDIDTESA-N 359.451 3.370 0 1 FGAF O=P(O)(O)[C@H](CCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)O 13746358 XIIYQLCRTNBXRS-INIZCTEOSA-N 370.363 3.068 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cccnn3)CC2)CC1 1857549025 UAAGWJXNZLCONN-GOSISDBHSA-N 367.497 3.119 0 1 FGAF CN(CCCNC(=O)c1n[nH]c2c1COc1ccccc1-2)C1CCCCC1 9728812 DUFRQCSWAUMOJO-UHFFFAOYSA-N 368.481 3.354 0 1 FGAF CC(C)Nc1nc(Cl)nc(NCc2cnc(Br)s2)n1 103218931 LNKFEDTUFPDINJ-UHFFFAOYSA-N 363.672 3.176 0 1 FGAF CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@H]2C1=O 103260462 IZLAOVPUDFOWQL-WOJBJXKFSA-N 367.493 3.285 0 1 FGAF CC(=O)c1cccc2c1OC(C)(C)[C@H](O)[C@@H]2NC(=O)c1ccc(F)cc1 27520576 VQTZWZYSOPISCU-SJLPKXTDSA-N 357.381 3.031 0 1 FGAF COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc(OC)c1OC 66078131 GPXBKWFDMRUFFY-QGZVFWFLSA-N 354.406 3.410 0 1 FGAF C[C@@H](CNCc1ccc2c(c1)OCO2)Oc1cccc2ccc(N)nc12 28390504 ZFFHMPKWYDLRTF-ZDUSSCGKSA-N 351.406 3.103 0 1 FGAF O=C(O[C@H]1CCCN(CCCF)C1)C(O)(c1ccccc1)c1ccccc1 27520793 ONNZSVCCYCIMBH-FQEVSTJZSA-N 371.452 3.290 0 1 FGAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@@H]3C[C@H](O)CC(=O)O3)c21 2356441026 AFLKSKHSRKUAGZ-UMBPUVEWSA-N 358.434 3.261 0 1 FGAF CC1(C)C(=O)[C@H](O)C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@@]2(C)CC(=O)C[C@@]12C 2356618791 IFGHJNUABITDAU-BOMQZEHASA-N 358.478 3.263 0 1 FGAF Cc1cc(C)nc(O[C@@H]2C(=O)OCC2(c2ccccc2)c2ccccc2)n1 72172304 VWSKJVORWIXNLP-LJQANCHMSA-N 360.413 3.384 0 1 FGAF CCc1ccccc1-c1cccc2cc(C(=O)NC[C@@H](N)C(=O)O)ccc12 43072164 ALTUZSMMOFRUSL-HXUWFJFHSA-N 362.429 3.211 0 1 FGAF Cc1nc(C)c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1C 40422886 SYNOWXCJULONRC-UHFFFAOYSA-N 358.873 3.013 0 1 FGAF CN1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95877047 DFXXWLCMZUFDSQ-BHIFYINESA-N 354.469 3.347 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN1[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 254094471 WSCFZTLXQHUMEA-XFJMUTKTSA-N 354.538 3.029 0 1 FGAF COC(=O)c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 618007255 PZXBEYHZQJJVJN-AWEZNQCLSA-N 358.785 3.390 0 1 FGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cnco1 473153947 DKFKQAMMMLDNJC-UHFFFAOYSA-N 367.748 3.381 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc(C(=O)O)cc1)(C1CC1)O2 587398068 AIEZRAFMEXJHNA-OAQYLSRUSA-N 367.401 3.468 0 1 FGAF COc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Cl 587128103 GOCSIAABLLIIPP-UHFFFAOYSA-N 350.716 3.267 0 1 FGAF COC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587117482 SQAWQFFVISDTPD-UHFFFAOYSA-N 358.707 3.422 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523041 MOLAJCOAFIZUMC-OAQYLSRUSA-N 374.433 3.032 0 1 FGAF CN(Cc1nc2cccc(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928997 OLNNPEQZRDKAKK-UHFFFAOYSA-N 353.806 3.176 0 1 FGAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023023 CFPWYRKFPITPHN-UHFFFAOYSA-N 356.432 3.001 0 1 FGAF COCCOCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399849 MPHDKOQFMQHGTR-HXUWFJFHSA-N 371.433 3.326 0 1 FGAF CCNC(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587231143 SYAXZNBIQXSODJ-UHFFFAOYSA-N 354.248 3.181 0 1 FGAF C[C@]1(c2csc(=N)[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609735 DCMLBCRSKOJIBQ-RDTXWAMCSA-N 354.387 3.138 0 1 FGAF COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587594673 PEHMGIIOKSEXSA-BEFAXECRSA-N 354.358 3.066 0 1 FGAF C[C@]1(c2ccc(N)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576710 HWNMCJSFOSBUCN-WIYYLYMNSA-N 362.385 3.434 0 1 FGAF COC(=O)c1cc2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2cc1OC 587161722 BOQYLJLFOPAKTQ-UHFFFAOYSA-N 371.368 3.069 0 1 FGAF O=Cc1cnc2n1C=CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590377 ZQPYZWSRZSXXHM-UTKZUKDTSA-N 374.352 3.133 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C(F)F)[C@H]1CCCCC1=O 963630127 BRZIPWLGOVETSE-MJLGCCKJSA-N 353.409 3.458 0 1 FGAF CC(C)(C)[C@H]1C=C(C(=O)NCc2ccccc2)O[C@@H](OCCCCO)C1 12482188 WBGJIPIWFWYHSS-PKOBYXMFSA-N 361.482 3.385 0 3 FGAF O=C(O)C[C@@H](Sc1ccccc1NC(=O)[C@H]1CCCN1)c1cccnc1 13589262 ZDBCMCZLDVNRQF-NVXWUHKLSA-N 371.462 3.080 0 1 FGAF COc1ccc(-n2cc(CN(C)CCO)c(-c3cccc(F)c3)n2)cc1 13596728 JJCHJSIPXJZUMK-UHFFFAOYSA-N 355.413 3.111 0 3 FGAF COc1cc(-c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(O)c1OC 14645313 LCFAQXHDTREUOX-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF endogenous,in-man CCCCNC(=O)[C@@H](C(C)=O)N(Cc1c(Cl)cccc1Cl)C(C)=O 205862657 FHOXKLCKZBFZCD-MRXNPFEDSA-N 373.280 3.216 0 3 FGAF CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)[C@@H](O)OC3=O)ccc2O1 1857639522 QCPXFZKWSHOJCI-NRFANRHFSA-N 366.413 3.367 0 1 FGAF C[C@H](CCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345677 XUGAOOQYBZSMCP-OGJJZOIMSA-N 358.475 3.010 0 1 FGAF COc1ccc(Oc2ncc3nc(C)c(=O)n(-c4ccccc4)c3n2)cc1 4238868 APUQGKCCDCEZBY-UHFFFAOYSA-N 360.373 3.285 0 1 FGAF CCOC(=O)c1c(O)c2cc(Cc3ccc(F)cc3)ccc2n(C)c1=O 102230087 DTZGIBZIZKWQEA-UHFFFAOYSA-N 355.365 3.151 0 1 FGAF CC[C@H]1C/C=C\C[C@@H](c2ccc(OC)cc2OC)NC(=O)[C@H](C)CC(=O)N1 100087968 AELWNOGVSMDSML-FPMSPZFPSA-N 374.481 3.132 0 1 FGAF CC(=O)c1cc(F)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O 28644885 LBMZLHCAPBBOFS-UHFFFAOYSA-N 364.760 3.431 0 1 FGAF in-vivo CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356536627 ZRSQRFGDQDYYGF-BJGWUSBGSA-N 350.499 3.293 0 1 FGAF Cc1ccccc1CN1CCN(CCCc2ccccc2)[C@@H](CCO)C1 20780046 HXOHBEKWOJKPKX-QHCPKHFHSA-N 352.522 3.496 0 3 FGAF NCc1ccc2cccc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1 35950444 BPRHUHLTGPELTP-UHFFFAOYSA-N 367.408 3.347 0 1 FGAF CCC[C@H](CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)O 34803249 XLWZIHIVUQLEGZ-MSOLQXFVSA-N 361.482 3.158 0 1 FGAF CC(C)N1CCC(COc2ncc(C(=O)c3ccc(F)cc3)n2C)CC1 34336541 PQWMHFYUTHAWBF-UHFFFAOYSA-N 359.445 3.289 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(O)OCO[C@@H]13 71315880 BPALEOPVSFYLBG-QGCCXLTRSA-N 364.482 3.244 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(Cl)cc1F 40846650 YNUBGNHYXUNQPQ-OAHLLOKOSA-N 360.834 3.436 0 1 FGAF COC(=O)c1ccc(CNC(=O)c2coc(-c3ccc(C)cc3)n2)cc1 82069880 KTWOTBWYXGSGKC-UHFFFAOYSA-N 350.374 3.367 0 1 FGAF C/C=C/C(=O)OC[C@@H](OC(=O)CCC)c1cc(OC)c(OC)c(OC)c1 95562746 OXLIZXYPPHNMOB-IQIBNGDESA-N 366.410 3.216 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)[C@H]1CC[C@@H](C2)N1 96175200 VHNJTFTZTKPJJW-YVEFUNNKSA-N 370.449 3.499 0 1 FGAF CN1C(=O)N(C2CCCC2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565351 SGOFDXLWIOCVRG-HNNXBMFYSA-N 370.280 3.288 0 1 FGAF OCc1ccccc1-c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586895323 WYYHMIKTTVSJMA-UHFFFAOYSA-N 368.400 3.365 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CO)c2)N1 587824984 FDMYHQXYSNYNRL-VVVCHXIZSA-N 366.230 3.410 0 1 FGAF Nc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1N 587003982 ZBNAQFKMYJJYRD-UHFFFAOYSA-N 371.242 3.082 0 1 FGAF CN1CCN(c2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)CC1 586881955 ZZRQOPSYBOTALH-RMKNXTFCSA-N 362.433 3.183 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587111379 BDRLQQAXXAOEJB-UHFFFAOYSA-N 369.368 3.499 0 1 FGAF CC1=C[C@@]2(CC(=O)N1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587336868 BAOUEXBNARJYOO-CTNGQTDRSA-N 367.376 3.395 0 1 FGAF N=c1[nH]cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc-2[nH]1 587138920 VVNZVPPKMTZTAC-UHFFFAOYSA-N 367.315 3.027 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1cnn(C)c1)O2 587384919 PNYWERIXQPTZRA-HXUWFJFHSA-N 351.381 3.359 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587453302 RIJWXCZRKFJDEY-XXFAHNHDSA-N 350.779 3.138 0 1 FGAF CN(Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@]12c1c(cnn1C)CCN2C 963954911 MZEHEYPWYONVCP-RJSMDTJLSA-N 364.537 3.281 0 1 FGAF COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 12763426 SGBBRFVSBJOQPA-LJQANCHMSA-N 372.509 3.173 0 3 FGAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCO 13645671 LGJXOPCLIQGFGI-WAYWQWQTSA-N 360.406 3.263 0 1 FGAF CC[C@H]1COCCN1C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)ccc12 19608384 JNIAOWVXCSTYHV-INIZCTEOSA-N 364.449 3.195 0 1 FGAF CCOc1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)[nH]c(=O)n32)cc1 169728883 PKVGSCDHWYBSCQ-IBGZPJMESA-N 361.401 3.304 0 1 FGAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1=O 200050416 HERZQJRLPBWTIH-IBGZPJMESA-N 354.425 3.445 0 3 FGAF CCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 202519944 PNYQLJFUOXGDMF-CQSZACIVSA-N 356.879 3.080 0 1 FGAF COC(=O)C1=C(C(C)(C)C)NC(=S)N[C@H]1/C=C/c1ccc(OC)cc1 1857609985 RIOKNCDKCNZTHY-ZHZWZMEUSA-N 360.479 3.028 0 1 FGAF COc1cc(F)c(Nc2nccc(-c3ccccc3OC)n2)cc1C(N)=O 1857763851 AGVKMSHAHBUJMI-UHFFFAOYSA-N 368.368 3.142 0 1 FGAF COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)s1 6049106 FAESMIOOIUAHQR-INIZCTEOSA-N 357.435 3.332 0 3 FGAF CO[C@H]1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1 53295224 AQFKRSCFWQXDAD-LJQANCHMSA-N 359.491 3.277 0 1 FGAF Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 23338716 RTFIFMMZPBIWJB-INIZCTEOSA-N 361.555 3.012 0 1 FGAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(C)(C)C)cc3)c2n1 28571496 MTUDPOWTCDJSJJ-UHFFFAOYSA-N 368.485 3.260 0 1 FGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13CC[C@@H](C[C@@H]21)[C@H](CO)C3 2356470230 TXELHOYJNPPLEM-WVVWASAGSA-N 350.455 3.013 0 1 FGAF CCCCCC(=O)c1c(O)cc(CCC/C=C/NC(=O)OC)oc1=O 28952601 PTIISOIADJJDMC-DHZHZOJOSA-N 351.399 3.301 0 1 FGAF COc1cc2c(cc1OC)CN(C(=O)[C@H](CCSC)n1cccc1)CC2 2356737200 CLVXFCCQMYNEDT-KRWDZBQOSA-N 374.506 3.384 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21 13432637 MQNDIFGHQSDIOB-MMGCJVFTSA-N 374.477 3.432 0 1 FGAF biogenic Cc1ccc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 34131026 RCDJILWNYJQNNB-IBGZPJMESA-N 371.458 3.450 0 3 FGAF COc1ccc(C[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 38388255 NYMMAIWHALQOKA-HXPMCKFVSA-N 362.422 3.339 0 1 FGAF COc1cccc(Nc2nnc([C@H](O)c3cccc(N(C)C)c3)s2)c1 82078445 MYLYXANYDBLFAT-MRXNPFEDSA-N 356.451 3.438 0 1 FGAF COc1cc2nc(N3CCSCC3)nc(NCC(C)C)c2cc1OC 82127416 SMGAHJXHXHZZRW-UHFFFAOYSA-N 362.499 3.268 0 1 FGAF CCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 147831571 VRIPIEPFEURRFT-GDBMZVCRSA-N 364.449 3.412 0 1 FGAF COc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC 140709561 NNVUNKFUFFIJJQ-UHFFFAOYSA-N 374.400 3.179 0 1 FGAF CCCNC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCOC2 261126916 KJXQJKGIDTXDBB-OBJOEFQTSA-N 362.495 3.335 0 1 FGAF Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C 473101602 KBOUWVHHHCCMNQ-CYBMUJFWSA-N 361.369 3.312 0 1 FGAF C[C@H]1C[C@H](C)CN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)C1 653901682 ANXZFHLZSNLNFW-ROUUACIJSA-N 355.482 3.369 0 1 FGAF COc1cc2nc(-c3ccc(O)cc3)cc(C(=O)O)c2c(OC)c1OC 653729345 UCMVNZKKYIDHDN-UHFFFAOYSA-N 355.346 3.331 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1scnc1C 587869164 ATERWAMHDIFPJG-UHFFFAOYSA-N 368.340 3.426 0 1 FGAF Cc1ccc(-c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2)o1 586905295 JKGUZNLIBBVDLR-UHFFFAOYSA-N 353.403 3.446 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccc(F)cc1)O2 587386383 XUZVAGXVQLDTTM-FQEVSTJZSA-N 356.397 3.147 0 1 FGAF COC(=O)[C@@]1(/C=C(\C)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587806991 KLIZHIBCSONXJA-SGXVIWNTSA-N 372.234 3.041 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(c4cc(C(=O)O)ccc4OC1(C)C)[C@@H](C2)C3=O 587447976 AMWZZOPVJPCAEP-QKKBWIMNSA-N 366.369 3.207 0 1 FGAF Cc1nc(C)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 587012629 QFTDRWATPCMVRG-UHFFFAOYSA-N 366.450 3.286 0 1 FGAF Nc1ccnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115913 FAHGXYNBLGHUBY-UHFFFAOYSA-N 358.121 3.383 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(CN3CCOCC3)CCCCC1)O2 587400456 PUCVFAMZQAOGRD-LJQANCHMSA-N 358.482 3.194 0 1 FGAF CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418094 AHXZWFAAIUUXGG-BZNIZROVSA-N 358.312 3.087 0 1 FGAF COC(=O)c1cc(-n2c(O)ccc2OC)c(Cl)cc1Br 587937398 QTYFUDHYTPIRQY-UHFFFAOYSA-N 360.591 3.394 0 1 FGAF CN[C@H](c1cccnc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587224263 RAJUNOLEAMNVNB-SECBINFHSA-N 352.623 3.078 0 1 FGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncnc3[nH]2)c(O)c1 587240885 QYQGASKXYYIISP-UHFFFAOYSA-N 359.389 3.215 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccncc1)(C1CCOCC1)[C@@H](C2)C3=O 587436494 PXBFYOAFHWGGPN-LAUBAEHRSA-N 351.402 3.160 0 1 FGAF C[C@]1(c2ccnnc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182946 RZVOXGPYQMCNOK-XHDPSFHLSA-N 371.746 3.011 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(S(C)(=O)=O)c(F)c1 963269671 LNEFUCWCIPQNEC-QGZVFWFLSA-N 369.845 3.126 0 1 FGAF O=c1nc(SCc2ccccc2)nc2n(-c3ccc(F)cc3)[nH]cc1-2 12732141 DTUSHDMKYOJTMN-UHFFFAOYSA-N 352.394 3.492 0 3 FGAF CN(C)c1cc[n+](CCCCCCCC[n+]2ccc(N(C)C)cc2)cc1 169327280 YJTHCWAQPFXUDC-UHFFFAOYSA-N 356.558 3.434 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2cccc(Cl)c2)nn1 203462650 LZHAECOMGLNAHC-UHFFFAOYSA-N 370.840 3.449 0 3 FGAF COc1ccc(C(C)C)cc1-c1cc(N2CCC[C@H]2CO)n2nccc2n1 1857590138 XIVIHGPXGYAJEX-INIZCTEOSA-N 366.465 3.489 0 1 FGAF CN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O 203908447 BPPRQTZICFMWBC-QGZVFWFLSA-N 360.413 3.013 0 1 FGAF Cc1cc2c3c(cccc3n1)C(=O)c1cccc(C(=O)NCCN(C)C)c1-2 1493892 IAJMOHVDXKZZCN-UHFFFAOYSA-N 359.429 3.046 0 1 FGAF O=C(O)C[C@@H]1CCN(Cc2ccccn2)C[C@H]1Cc1nc2ccccc2[nH]1 2356335968 FYKJWENMPFGQBU-JKSUJKDBSA-N 364.449 3.113 0 1 FGAF CN(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O 4131599 DLGRCNDWDMSUDW-LRSLUSHPSA-N 374.484 3.287 0 1 FGAF CCOC(=O)[C@H](CC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6751423 SKHFZHKOVZMPDX-INIZCTEOSA-N 368.437 3.022 0 1 FGAF CC[C@@H](C(=O)NC1CCCCC1)n1c2ccccc2c2nc(=O)cc(C)n21 6795704 JBKHIURMOGRQNN-KRWDZBQOSA-N 366.465 3.358 0 3 FGAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289455 WAEITXBTIFRCSE-VWPQPMDRSA-N 356.510 3.269 0 1 FGAF CCN1CC[C@@H](OC(=O)c2[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c2C)C1 26253553 DICFAXZCXKVYRH-UONOGXRCSA-N 350.459 3.166 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1[C@H](O)C=C2C1=CC(=O)OC1 119305839 LOUCJBIZSPLEFL-CSZNAQEZSA-N 372.505 3.380 0 1 FGAF in-man CCCCC[C@H](O)CC[C@@H]1C(=O)NC(=O)[C@@H]1CC=CC[C@H](C)CC(=O)O 2356626946 QKFPKSFDJQKEKM-NXOAAHMSSA-N 367.486 3.044 0 1 FGAF CCC[C@@H]1CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)N[C@@H](N2)N34)O1 2356843073 NBSWGTGLRFUXCQ-VKPOMUGMSA-N 363.546 3.440 0 1 FGAF O=C1OCc2c1cc1ccc3c(c1c2-c1cc(O)c2c(c1)OCO2)OCO3 6093905 XBSPLPGHPGZJCI-UHFFFAOYSA-N 364.309 3.340 0 1 FGAF biogenic COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1 73195591 JAWPAUHQCGKVGI-GFCCVEGCSA-N 361.405 3.453 0 1 FGAF NC1=N[C@](c2ccccc2)(C2CCCCC2)C(=O)N1CCCCCC(=O)O 34948818 RRIUOHGQLUNAMR-OAQYLSRUSA-N 371.481 3.264 0 1 FGAF COc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 1911571521 IPXGBJBXPNSNFW-HXUWFJFHSA-N 357.454 3.094 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccno4)ncc23)ccn1 219768849 YKXPZMFBQATMHR-LLVKDONJSA-N 363.381 3.199 0 1 FGAF Cc1ccc(NC(=S)OC[C@@H](C)NC(=O)c2ccccc2C(=O)O)cc1 40414284 WKELEZUOCDWKLI-CYBMUJFWSA-N 372.446 3.225 0 1 FGAF C[C@]1(O)CC[C@@H](N(C(=O)c2cccc(N3CCCCC3)n2)C2CC2)CC1 139744328 FLHXPCNIEHEJGM-UEDWGHLCSA-N 357.498 3.370 0 1 FGAF C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CC3CCCCC3)c(=O)n21 82211853 KYMNRCGCGPRBMV-AWEZNQCLSA-N 362.518 3.425 0 1 FGAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 95575541 DCOMOTPXWHBHEY-NYXQLXNNSA-N 355.482 3.112 0 1 FGAF Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)c2ccccc2)cc1 95599813 GKOHQELCEZELCE-KXBFYZLASA-N 359.447 3.004 0 3 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)O)[C@@H](C)[C@@H]3[C@@H](O)C[C@@H]12 238751477 SRURFZLFGGVPRV-XMAYDFKXSA-N 364.482 3.410 0 1 FGAF Cn1c(CN2C[C@@H]3[C@H](COc4cccc(Cl)c4)[C@@H]3C2)nc2cnccc21 253664593 CIFLTVMHVNJKRH-BJWYYQGGSA-N 368.868 3.379 0 1 FGAF Cc1c(C(=O)CSc2nc3ccccc3o2)[n+](=O)c2ccccc2n1O 653826087 KSCZIQXVGMCMES-UHFFFAOYSA-N 368.394 3.218 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cnn(C)c2)N1 587761163 SSIYOCWTPJTROG-HWPZZCPQSA-N 352.251 3.314 0 1 FGAF FC(F)(F)Oc1cc2nc(CC3OCCO3)[nH]c2cc1Br 586907143 FAAKOLMOGHXHML-UHFFFAOYSA-N 367.121 3.139 0 1 FGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)o1 586923263 HUCLNOMVDPKESA-UHFFFAOYSA-N 368.418 3.149 0 1 FGAF COC(=O)[C@]1(/C=C(\C)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803803 BXTBRXXDIHUIKB-UZMXKUNOSA-N 372.234 3.041 0 1 FGAF C=CN1CC[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769183 NDKWWEQHXBBVRX-MOCULFSLSA-N 367.262 3.330 0 1 FGAF CCn1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587662300 YXHJCUCDOGBYSZ-UHFFFAOYSA-N 362.364 3.108 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(O)c4[nH]3)cc12 587037313 HKCMAWWJIOYRJW-SECBINFHSA-N 355.423 3.016 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C)nc(C)cc3[nH]2)c1 586931189 XYUDNEZGYYNQKA-UHFFFAOYSA-N 358.467 3.272 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2c1cnn2C 587863413 IROPIZGPUOYDFN-UHFFFAOYSA-N 374.326 3.243 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2CNC=O)N1 587742196 JWJWIASSNNICEA-NDGTYSDOSA-N 369.278 3.254 0 1 FGAF O=C(O)c1ccc(-c2ncccc2[C@H]2NCCc3c(C(=O)O)cccc32)cc1 963119804 IKNMNQHAXMBMJB-FQEVSTJZSA-N 374.396 3.380 0 1 FGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cccc4c[nH]nc34)N12 962662931 JCVCUJJNZOTWPH-DENIHFKCSA-N 372.428 3.299 0 1 FGAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3c(OC)ccc(OC)c31)OCO2 963634589 KUFJEWDTZHOREJ-PRWKNARSSA-N 357.406 3.065 0 1 FGAF CCCCC/C=C\C[C@@H](O)[C@@H](O)/C=C/[C@@H](O)C/C=C\CCCC(=O)O 13523776 WPLPEZUSILBTGP-VLXWAAQQSA-N 354.487 3.353 0 1 FGAF in-vitro COCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651121 FWOAGXWBKNLXNV-LJQANCHMSA-N 362.429 3.331 0 1 FGAF OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)nc3)n2)CCCCC1 204411116 FRQUAOGLSLOKCZ-UHFFFAOYSA-N 366.387 3.342 0 1 FGAF CCN(CC)c1ccc2cc(C(=O)n3nnc4ccccc43)c(=O)oc2c1 306120769 QRDXPNDELUEMFY-UHFFFAOYSA-N 362.389 3.072 0 1 FGAF O=c1c2c3c(sc2nc2n1N=CN(c1ccc(F)cc1)C2)CCCC3 1651333 ZTKFOELLUUOWGA-UHFFFAOYSA-N 354.410 3.288 0 1 FGAF COC(=O)[C@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 6411354 YPTQVZDDLXUIOB-MRXNPFEDSA-N 360.406 3.220 0 1 FGAF CC[C@@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103182941 XGUUUFAZHKYGHN-CYBMUJFWSA-N 354.454 3.491 0 1 FGAF O[C@@H](CNCCc1c[nH]c2ccccc12)COc1ccc2cccnc2c1 26185940 DANNCFJYGZHILE-SFHVURJKSA-N 361.445 3.288 0 1 FGAF CN(C)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2ccc(F)cc12 23429733 COQSDMIDPQBIFB-UHFFFAOYSA-N 361.380 3.323 0 1 FGAF Cc1nc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(Cl)cc2)n1 27655486 TZJHSQWXRDXDCN-XLBHYRNJSA-N 358.825 3.494 0 1 FGAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@]2(c3ccc4c(c3)OCO4)O[C@@]12C 14860237 MSOPBDPJGRPXDR-KBNXFDMWSA-N 354.358 3.493 0 1 FGAF biogenic CCCCN(C[C@@](C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1 72126102 XLGJKKNASXOOKD-LJQANCHMSA-N 363.479 3.091 0 1 FGAF CCOP(=O)(OCC)[C@@H](O)c1cc2cccc(CC)c2n2nnnc12 49112057 HVUNAJKOGJQHJW-MRXNPFEDSA-N 364.342 3.097 0 1 FGAF Cc1c(N2C[C@@H](C)C[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 49756165 SUNOXJGFRNXDSU-RYUDHWBXSA-N 369.465 3.408 0 1 FGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1 224748714 VPPXTVHGJUYTCD-UHFFFAOYSA-N 369.421 3.468 0 1 FGAF CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)O)co2)cc1 82073704 XXACAVKCCAQBRM-UHFFFAOYSA-N 360.410 3.457 0 1 FGAF c1cnc2sc3c(N4CCCNCC4)nc(-c4ccncc4)nc3c2c1 223668816 NDFZLPULEAGXSE-UHFFFAOYSA-N 362.462 3.101 0 1 FGAF CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)C2=C1[C@H](C)C[C@H]1OC(=O)[C@@H](C)[C@H]1C2 238757355 GDSQXEJVFDDBEU-VUDFEGNTSA-N 350.455 3.003 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)[C@H]1CC[C@@H](C2)N1 96175239 KHORPUNSGKTHMR-SWLSCSKDSA-N 368.458 3.066 0 1 FGAF CCN(C(=O)c1cnccc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96940008 CREAROIWOWTECZ-ZWKOTPCHSA-N 353.466 3.393 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc(N=c3cc[nH][nH]3)c3ccccc3n2)cc1 473096114 YNQODBVQNIEYOB-UHFFFAOYSA-N 356.389 3.310 0 1 FGAF O=C(NC1CCOCC1)c1cn2cc(-c3cccc4ncccc34)ccc2n1 299823739 UDEHTUIBVYXWNF-UHFFFAOYSA-N 372.428 3.458 0 1 FGAF OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12 653821003 GNNWCSOWJARYCL-VIFPVBQESA-N 363.393 3.069 0 1 FGAF CC(=O)Nc1nc(Cl)c(-c2c(F)cccc2F)n(CC(C)C)c1=O 653788037 RRAHWQAFNROMPP-UHFFFAOYSA-N 355.772 3.456 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)O 587400378 NGFGBMRIGWNAQI-PIGZYNQJSA-N 371.389 3.144 0 1 FGAF COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Cl 587224518 JRCUKTDYHSFNBD-LLVKDONJSA-N 359.813 3.309 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](C)NC(=O)OC(C)(C)C 587650253 HULJHTBBCXWWEJ-LLVKDONJSA-N 352.456 3.466 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1nc(Br)ccc1F)[C@@H](C2)C3=O 587426478 OOIJBRFZBBAJNJ-XXFAHNHDSA-N 364.170 3.481 0 1 FGAF Oc1nc(O)c2cc(Cc3ccccc3)c(C3(O)CCCCC3)nc2n1 587560435 HSYNUJJUAKADJI-UHFFFAOYSA-N 351.406 3.179 0 1 FGAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587570294 OEGOSBKWAVYYIX-YJBOKZPZSA-N 354.337 3.451 0 1 FGAF CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](OC)C1 587517258 KANIGDMVOZMLMV-RXVVDRJESA-N 373.449 3.147 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]ccc1=NC(=O)OC(C)(C)C)O2 587390988 QCRUTTAGIFOIQC-KRWDZBQOSA-N 369.421 3.448 0 1 FGAF CCCCCc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587561440 QTEDXPWQGZUOTO-UHFFFAOYSA-N 367.405 3.463 0 1 FGAF COC(=O)N1CCCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169083608 CYEYGIKHGQVFKY-ZDUSSCGKSA-N 366.425 3.053 0 1 FGAF CN1CCN(c2nc(-c3cc(Cl)ccc3Cl)nc3[nH]cnc23)CC1 1857543895 DASFGALMSCXHMF-UHFFFAOYSA-N 363.252 3.079 0 1 FGAF CCN=c1[nH]nc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)s1 1857561641 KSNKEEYOTTXWFC-UHFFFAOYSA-N 365.462 3.465 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4nc(C)c(-c5ncc(C)o5)c4[nH]3)ccc21 147537110 XHCSUMMHRLWCPT-UHFFFAOYSA-N 374.404 3.331 0 1 FGAF CC(C)(C)c1cc([C@H](CO)OCCOCCO)cc(C(C)(C)C)c1O 1647609 JTVUWCWBNGVCOX-KRWDZBQOSA-N 354.487 3.046 0 1 FGAF COc1cc(NS(C)(=O)=O)ccc1Nc1nc2ccc(N)cc2s1 58538280 NAWQBEKEFLRZAM-UHFFFAOYSA-N 364.452 3.002 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)ccc31)[C@@H]1CC[C@@H](C2)N1 100632929 VNXPNBKXJFLXQN-LRDDRELGSA-N 370.449 3.499 0 1 FGAF C[C@]12C[C@H](C(=O)O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 2356413850 LDWIWYPUKHSEMK-PUDMLJNZSA-N 350.499 3.452 0 1 FGAF CO[C@H]1[C@H]2C(=O)N(C)c3c(ccc4cc5c(cc34)OCO5)[C@H]2CC[C@H]1OC 2356489440 YFMBMEFXASAJQX-OEOGJYLISA-N 369.417 3.069 0 1 FGAF Cc1ccc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356748125 WMARPMGAWBBRNK-YJBOKZPZSA-N 353.397 3.251 0 1 FGAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F 216241513 IKSUDZQUQOMVKP-UHFFFAOYSA-N 369.458 3.352 0 1 FGAF COc1ccc2c(c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 14648617 AAAQSJHHXMDZCO-BXUZGUMPSA-N 360.362 3.036 0 1 FGAF biogenic COc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1 72178393 ICQOHPXXADVTOI-UHFFFAOYSA-N 373.541 3.154 0 1 FGAF COc1ccc2c(c1O)COc1c-2oc2c(OC)c(OC)ccc2c1=O 96086176 DDMDVSWCBPTIHI-UHFFFAOYSA-N 356.330 3.084 0 1 FGAF biogenic,in-vitro COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@@]1(C)c1ccccc1 299841360 ZKOYDZUUECJQQX-LEWJYISDSA-N 354.402 3.259 0 1 FGAF Clc1ccc(-c2nnc(CCc3nc4nc(Cl)c[nH]c-4n3)o2)cc1 587077248 SMNBHRRTXBSOEA-UHFFFAOYSA-N 361.192 3.447 0 1 FGAF OCc1ccccc1-c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 586895040 MJFBLNSAAPZAEZ-UHFFFAOYSA-N 350.403 3.174 0 1 FGAF O=C(c1ccccc1OC(F)F)n1ncc2ccc(Cl)cc2c1=O 587652048 UZFPKNJGPSFXHE-UHFFFAOYSA-N 350.708 3.340 0 1 FGAF NC(=O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011924 FJKLMEUPFZKSDR-UHFFFAOYSA-N 363.240 3.425 0 1 FGAF N=c1[nH]cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc-2[nH]1 587138381 GUWDCRZHJRFSQN-UHFFFAOYSA-N 367.315 3.027 0 1 FGAF CC(C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597146 SSNKPVQLANRZKX-YLJYHZDGSA-N 356.374 3.454 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434526 ABGQFNSSYSSZLE-HLLQZAQXSA-N 373.449 3.458 0 1 FGAF COC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990211 BDGGBDFVTHECGA-LLVKDONJSA-N 359.381 3.430 0 1 FGAF CC(C)(C)OC(=O)Nc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccn1 963136232 ZISOGZIFDMFYSG-KRWDZBQOSA-N 369.421 3.362 0 1 FGAF CCCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1OC 963523336 HEAKYLUGVKQOCF-OXJNMPFZSA-N 371.433 3.186 0 1 FGAF O=C1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1CN1CCCC1 13449290 VLCZPJCZGGIWLQ-MRXNPFEDSA-N 369.292 3.192 0 1 FGAF CCNc1ccccc1C[S@](=O)c1nccn1-c1ncccc1OC 13746202 AHWBQKUYWJTFRX-RUZDIDTESA-N 356.451 3.016 0 1 FGAF CCCN1Cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2C1=O 13983190 NYDVTBHNZHBCKX-UHFFFAOYSA-N 351.385 3.143 0 1 FGAF in-vitro CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(C)ccc3F)C2)cc1 169709236 MTRXDOCZEYNRBC-KBXCAEBGSA-N 357.429 3.384 0 1 FGAF Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1 4057390 KRZBWKRPRKNWHY-UHFFFAOYSA-N 351.406 3.040 0 3 FGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205319 SRRHFMWOIPRSKC-SCTDSRPQSA-N 372.852 3.319 0 1 FGAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 4894535 JQTOJNNWHKJNRC-IFXJQAMLSA-N 352.434 3.307 0 1 FGAF O=C(O)C[C@H]1c2cc(Cl)ccc2C(=O)NN1c1ccc2snnc2c1 6094120 YKRGBMIQMLLNND-ZDUSSCGKSA-N 374.809 3.026 0 1 FGAF C[C@@H]([C@H](c1ccc2cc(OCC(=O)O)ccc2c1)n1ccnc1)N(C)C 28130162 HKJCSUNJDASSCM-VBKZILBWSA-N 353.422 3.039 0 1 FGAF CO[C@]1(C)CC[C@@]23O[C@H]1C[C@]2(C)CC[C@@H]3[C@H](C)CO[C@H]1CCC(=O)O1 2356684020 JZLCLJJMCZVNMU-ZFEHHOQYSA-N 352.471 3.445 0 1 FGAF c1cc2c(c([C@H]3OC[C@@H]4[C@H](c5cccc6c5OCO6)OC[C@H]34)c1)OCO2 2356725857 MHWKVSWLLYGYHT-DFEHZGFQSA-N 354.358 3.219 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CCN4CC[C@]12[C@H]3CC5 2356783679 LWTSCZYWXUUJKI-MJUUVYJYSA-N 352.434 3.086 0 1 FGAF CC[C@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1c(O)cccc14)[C@H]32 2356786711 SMRLIFHXJVRKLX-QHAWAJNXSA-N 354.450 3.151 0 1 FGAF c1ccc2nc(COc3ccc(OCCCc4nnn[nH]4)cc3)ccc2c1 26718919 SQQTUVOFASOKGW-UHFFFAOYSA-N 361.405 3.339 0 1 FGAF CCOc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948154 LOQLIYCILQUEKV-RCRNZYILSA-N 367.493 3.284 0 1 FGAF Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCCN2CCOCC2)n1 72109131 MRNZRCFFJZCLOS-UHFFFAOYSA-N 371.872 3.331 0 1 FGAF CC(=O)O[C@H](C[C@H](O)CCCCc1ccccc1)C[C@H]1CC=CC(=O)O1 13341409 LIMVBVPSLMCNGN-VAMGGRTRSA-N 360.450 3.344 0 1 FGAF biogenic O=C(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12 71281443 JJZVVWLPZRDMIQ-UHFFFAOYSA-N 358.507 3.271 0 1 FGAF CCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 84633636 XXOBQDKCHCDZQI-UHFFFAOYSA-N 350.394 3.486 0 1 FGAF CN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]1(CO)c1ccccc1 95573405 DYJMIXAXRWXZKP-QGZVFWFLSA-N 365.216 3.280 0 1 FGAF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1c[nH]c2ccccc12 95578563 AYMGYVUMRGWREL-CQSZACIVSA-N 351.358 3.310 0 1 FGAF C[C@@H]1C(=O)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@@H](C4)[C@@H]3[C@H]1C 148272856 HWXCULOUOMXWMG-ZIQVLGFMSA-N 367.489 3.293 0 1 FGAF NC(=O)c1cc(-c2cncnc2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144924050 XSISOLYWTABXLA-SFHVURJKSA-N 371.318 3.021 0 1 FGAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(O[C@@H]3CCOC3)cn2)cc1 96167484 HAMNIEOBTDALEA-MGPUTAFESA-N 370.449 3.499 0 1 FGAF c1ccc2nc(N3CC(Oc4nccnc4-c4ccncc4)C3)ccc2c1 96168795 VKNOCZDANUPCNR-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF OCCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1 96272718 QONCLFMRNBSJDL-UHFFFAOYSA-N 369.428 3.489 0 1 FGAF O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2ccc(Cl)cc2n1O 377829936 UHEPPTKRDSCLEA-UHFFFAOYSA-N 359.667 3.289 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Cl)c(Cl)c2)cc1 299835285 CZICMPCJNHRDMN-UHFFFAOYSA-N 374.249 3.257 0 1 FGAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587744222 GJVXZTQLAIRZTD-VFZGTOFNSA-N 350.235 3.497 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCCO[C@H]3CC)[nH]c2c1 586913739 RZOIMXOFEBYGBT-YOEHRIQHSA-N 365.499 3.314 0 1 FGAF Cc1cc(C)n(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579657 FETSVSUPQUWWCU-MSOLQXFVSA-N 350.374 3.236 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)cc(F)c2[nH]1 586951722 WPUCVEDWKATIIE-UHFFFAOYSA-N 360.823 3.159 0 1 FGAF CC(C)(C)OC(=O)NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570953 JYQANBPNQYFEQE-JKSUJKDBSA-N 371.389 3.247 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586915068 ABYYZGGJRQLDKJ-ODXCJYRJSA-N 362.389 3.361 0 1 FGAF CCOC(=O)C[C@]1([C@@H]2CCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534556 FDNHWGSDDPDIJG-VFNWGFHPSA-N 358.434 3.259 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587163657 UCAJUPOBAPODKU-KBPBESRZSA-N 359.426 3.223 0 1 FGAF Cc1ncsc1CCc1nc2cc(I)cnc2[nH]1 587027998 LHRNFWHYQRSKCP-UHFFFAOYSA-N 370.219 3.113 0 1 FGAF COc1cccc([C@]2(CCCCCC(=O)O)c3nn(C)cc3CCN2C)c1 963954293 IRJKDQLQNYFLKK-OAQYLSRUSA-N 371.481 3.195 0 1 FGAF Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)NCCc2ccc(F)c(C)c21 962373751 IYLSJVRECMPFCV-HXUWFJFHSA-N 359.466 3.399 0 1 FGAF COc1ccc(C[C@@H](C)[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962932490 QGKCUNMWNMLNIV-VFNWGFHPSA-N 352.478 3.463 0 1 FGAF Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2[C@H]1CCc2ccccc21 1772653106 CKJXBFPVDBUQHA-INIZCTEOSA-N 361.380 3.456 0 1 FGAF C[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772609875 GXNZEZLLVZAGEP-LBPRGKRZSA-N 354.389 3.291 0 1 FGAF CC(=O)[C@H](C)[C@H]1c2cc3c(cc2C(=O)c2ccc4c(c21)OCO4)OCO3 13385384 KMNCFSCPIUXTDN-XYZCENFISA-N 352.342 3.045 0 1 FGAF biogenic CCN(CC)c1ccccc1C[S@@](=O)c1nccn1-c1ccccn1 13746173 XSTKEEDPXBWERP-VWLOTQADSA-N 354.479 3.421 0 1 FGAF c1cc(-c2cnc3ccc(-c4ccc(N5CCOCC5)cc4)nn23)ccn1 169306640 GJQRUQFUHAKMBW-UHFFFAOYSA-N 357.417 3.295 0 1 FGAF Cc1cc(NCCCNc2c3ccccc3nc3c2c(C)nn3C)n(C)n1 169329738 AOYGASFJLGMVRQ-UHFFFAOYSA-N 363.469 3.386 0 1 FGAF C[C@@H](O)C(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205714745 AMQGYEDGUIFEHM-HWPZZCPQSA-N 350.340 3.252 0 1 FGAF O=c1cc(Cc2ccc(Cl)cc2)nc2nc(Cc3ccccc3)[nH]n12 1857577244 QTCCGGMKKCICFL-UHFFFAOYSA-N 350.809 3.253 0 1 FGAF c1cncc(-c2cc(NCCCn3ccnc3)nc(-c3ccncc3)n2)c1 1738548 FGGVHCVUGVSHOH-UHFFFAOYSA-N 357.421 3.299 0 1 FGAF C[C@H]1/C=C\CC(=O)NCc2cccc(c2)CNC(=O)N[C@H]1c1ccccc1 8860534 KSBGAXIOHACUNA-ANGQXFPJSA-N 363.461 3.439 0 1 FGAF O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1 102826531 KEKHWOBKEZUIPS-UHFFFAOYSA-N 364.445 3.433 0 1 FGAF CCn1cc(C2=NO[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)C2)c(C)n1 20355850 LXSVDBABJYJPLB-IXYLRAAXSA-N 370.497 3.037 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@](C)(O)[C@H]12 2356618353 OCPGSVYCKLXPSO-KLCHNCMWSA-N 362.510 3.293 0 1 FGAF COC(=O)[C@@H]1COCC[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]21 2356703027 JDJVJTFQJVKZQS-KBRIMQKVSA-N 350.418 3.139 0 1 FGAF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)cn1)CC2 115608606 MCPRPFWJSZDYBF-OAHLLOKOSA-N 370.340 3.223 0 1 FGAF CC[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(OC)c1 73258835 AEBAOGKNMXXQLR-INIZCTEOSA-N 369.446 3.441 0 1 FGAF Oc1nc2nc(NC3CCOCC3)ncc2cc1Oc1ccc(F)cc1F 71319113 GJWGTSBLEHCCCO-UHFFFAOYSA-N 374.347 3.392 0 1 FGAF COc1ccccc1Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12 45245464 XWJUTMNFVDNIKV-UHFFFAOYSA-N 366.421 3.096 0 1 FGAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/C3CCCCC3)C(=O)O2)cc1 40421727 WOICWQUYMWGJJH-LRJKXPEMSA-N 374.433 3.037 0 1 FGAF COc1ccc(Cc2c[n+]([O-])cc3cc(OC)c(OC)cc23)cc1OC 220522076 LZBZWWFQMXIXTF-UHFFFAOYSA-N 355.390 3.098 0 1 FGAF O=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ccccn1 84669903 FVOKHGLVKLJETQ-SFHVURJKSA-N 366.442 3.351 0 1 FGAF NC(=O)C1CCN(Cc2ccc(Oc3nc4cccnc4s3)cc2)CC1 95561518 IAOKAPHKBSTXCW-UHFFFAOYSA-N 368.462 3.181 0 1 FGAF OC[C@H](O)CN1[C@@H](CCc2ccccc2)CC[C@H]1CCc1ccccc1 96269935 AWUREWOEIOQWRK-XPWALMASSA-N 353.506 3.438 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 255287705 ZRSQRFGDQDYYGF-IDBMHRIKSA-N 350.499 3.293 0 1 FGAF Cn1c(CN2C[C@@H]3[C@@H](COc4cccc(Cl)c4)[C@@H]3C2)nc2cnccc21 253664595 CIFLTVMHVNJKRH-FVQHAEBGSA-N 368.868 3.379 0 1 FGAF C[C@@H]1NC(=O)[C@@H](CCC(=O)Oc2ccc3oc4ccccc4c3c2)[C@@H](C)N1 618016129 GDIZEAZHVXLFES-IPYPFGDCSA-N 366.417 3.342 0 1 FGAF COc1cc(C(=O)c2nc(-c3ccccc3F)no2)cc(OC)c1OC 653708638 AMJIGBVJTZSJHF-UHFFFAOYSA-N 358.325 3.133 0 1 FGAF CCC(=O)Nc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 653725607 YEPMXOBNUBTQEG-UHFFFAOYSA-N 361.449 3.055 0 1 FGAF CCOC(=O)CC[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436250 OXGWVBNWAQHIFL-VFNWGFHPSA-N 367.401 3.076 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1CN3C(=O)OC(C)(C)C)O2 587397925 CNRHEOXYJIJWDK-RDXCRGQUSA-N 358.438 3.311 0 1 FGAF CC(=O)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349319 BLGZNFNEOPKLFV-RVSXGSNBSA-N 356.349 3.355 0 1 FGAF N=c1nc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c(Cl)[nH]1 587132868 JLRAOAOQTTXHNB-UHFFFAOYSA-N 360.563 3.096 0 1 FGAF CCc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582799 RCIXXDHDVIAPKU-YLJYHZDGSA-N 350.374 3.391 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)C(F)(F)F 587649893 MLGVRDPEQLUJIG-UHFFFAOYSA-N 355.284 3.260 0 1 FGAF COc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587430081 QYAVXRHUBAETFI-HWOYEPTDSA-N 365.429 3.422 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(N)=O)cc2)N1 587750002 QYKQLPIGNNICDP-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1SC 963507101 HTVDWDBFWYKCKU-KSSFIOAISA-N 359.447 3.119 0 1 FGAF CC(=O)Nc1cccc(NC(=O)CN2C(=O)CCSc3ccccc32)c1 5051922 OFWJWOHQIQTNRA-UHFFFAOYSA-N 369.446 3.113 0 1 FGAF Cc1cc(C)c2c(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)sc2n1 5036197 MELALEMOJNUKTD-CQSZACIVSA-N 369.490 3.212 0 3 FGAF COC(=O)c1c(-c2ccc(NC(C)=O)cc2)oc2ccc(OC)cc2c1=O 13820376 BFJKMUCCEXLIBD-UHFFFAOYSA-N 367.357 3.214 0 1 FGAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)cc1OC 13828751 NKYQJGLUDSJXMZ-UHFFFAOYSA-N 368.418 3.026 0 1 FGAF Cc1ccc(/C=C2\CNC[C@@H]3[C@H]2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 169308432 YQCQZYAJJOSYON-GMTLMCOVSA-N 363.530 3.494 0 1 FGAF O=S1(=O)NC(O)=CN1c1csc(-c2ccccc2)c1Br 169719923 NJZSZBBDUIUOMZ-UHFFFAOYSA-N 373.253 3.189 0 1 FGAF COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCNCC2)cc1 206068197 ZWJSKSIXHWSAPQ-UHFFFAOYSA-N 373.884 3.049 0 1 FGAF O=C1[C@H](F)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762631 CTLHGLZELHMPOK-XJKSGUPXSA-N 362.351 3.004 0 1 FGAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1ccncc1 2356303576 YBLIRPPLGQTJDY-LLVKDONJSA-N 357.797 3.373 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@@H]1C 2356456248 WKZIMJTUNFMKDY-LNZXJRFDSA-N 360.450 3.498 0 1 FGAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]2CC[C@H]3C[C@@]12C=C3C 2356667436 MDJQZPYACFNHLR-GADKELDLSA-N 362.510 3.460 0 1 FGAF Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Cl)cc2-3)on1 35278595 OABMKUYJAYGQHV-UHFFFAOYSA-N 366.812 3.342 0 1 FGAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCc1cccc2ccccc12 73277181 QOQJGYFMIRTDKC-HXUWFJFHSA-N 365.477 3.179 0 1 FGAF CCOC(=O)[C@H]1C2(CCCC2)[C@]12C(=O)Nc1ccc(Br)cc12 34817253 GACAMSOBZIORDS-GUYCJALGSA-N 364.239 3.392 0 1 FGAF O=C1NC(=O)C(CCCCCC[C@@H](F)CF)(Cc2ccccc2)C(=O)N1 1911585875 WQCYWYOJQMZTMB-OAHLLOKOSA-N 366.408 3.230 0 1 FGAF COc1ccc(Cc2c(Cc3ccc(OC)cc3)n(C)c(=N)n2C)cc1 14611961 NSADLJFJBPOIDI-UHFFFAOYSA-N 351.450 3.042 0 1 FGAF biogenic COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](O)(C(C)C)C=C3[C@H](O)C[C@@H]12 40845180 GPYKEMWEYFUNGV-GQENOEBFSA-N 350.499 3.460 0 1 FGAF COC(=O)C1=CCC[C@H]2[C@@H]3C(=O)O[C@@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238788929 UWQVIOGQUQQNPO-DGPMXCDSSA-N 372.417 3.235 0 1 FGAF 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Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCNCC3)n2)n1 211047161 CALQCAQZMQRBIJ-UHFFFAOYSA-N 371.448 3.048 0 1 FGAF COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1 14644582 KOCIOXYNAFGQMZ-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic Cn1c(=O)n(C)c2cc3c(cc21)CCC[C@H](NCCCc1ccccc1)C3 653842139 POELJSDUJBIBGG-FQEVSTJZSA-N 363.505 3.347 0 1 FGAF CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587225913 ZCJBWSLOHILVFN-LBPRGKRZSA-N 357.286 3.316 0 1 FGAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1Oc1ccccc1 587440693 CHMNBYZJYXARFH-OJAWGZOXSA-N 366.413 3.438 0 1 FGAF COC(=O)Nc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)cc1 587243212 GBQRBEFOVYQUPK-UHFFFAOYSA-N 355.350 3.203 0 1 FGAF C[C@H](Cn1cccn1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924000 XRONYCWRZHEYAX-GFCCVEGCSA-N 362.480 3.182 0 1 FGAF CCn1cc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587389706 IRTCXXOVYUVXHS-AQKVLALTSA-N 354.454 3.038 0 1 FGAF COc1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 587223162 MMFPGGDNWZQMTF-UHFFFAOYSA-N 369.421 3.151 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cn2)N1 587728003 FALAQHPDKLNKDD-VXJOIVPMSA-N 354.198 3.315 0 1 FGAF N=c1nc(O)c2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2[nH]1 587094973 LBRSJIKNIXCFMN-UHFFFAOYSA-N 363.221 3.176 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(N(C)C)n1 587862584 CYZKOHXSCKXZLJ-UHFFFAOYSA-N 363.343 3.423 0 1 FGAF COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cn1 587077529 VSYWRPBOHNRJHU-UHFFFAOYSA-N 355.785 3.455 0 1 FGAF CN1CC[C@](C)(O)[C@H]([C@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962711866 QRUZAEQQJWPAPS-AABGKKOBSA-N 360.523 3.317 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCC(=O)O 13328426 ZOCFIYOANZRNDX-XFYWFNBGSA-N 354.487 3.043 0 1 FGAF O=C(O)CCc1c(C(=O)O)n(CCC(=O)O)c2cc(Cl)cc(Cl)c12 206118350 YMVOSFQQMGHRKY-UHFFFAOYSA-N 374.176 3.138 0 1 FGAF COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(C)c3n2)cc1 4238264 DXMGQQFFMULWAO-UHFFFAOYSA-N 366.402 3.253 0 1 FGAF COc1ccc(-c2nnc(NCc3nc4ccccc4c(=O)[nH]3)s2)cc1 103169237 WVJRCXPIYWJNAL-UHFFFAOYSA-N 365.418 3.062 0 1 FGAF COc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCc2ccccn2)cc1 28757393 QHMYFMFNDJXBNG-UHFFFAOYSA-N 374.396 3.472 0 1 FGAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1SCCN1C(=O)c1ccccc1 66252615 HCZFRIFBXMIZIX-KYDFKUCNSA-N 370.518 3.143 0 1 FGAF COc1cc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)ccc1C 29471729 ZXRDZQSYHMAJEA-UHFFFAOYSA-N 365.359 3.276 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(COC1=O)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356534767 QNKSEHIPPBVETG-CSNAGLLJSA-N 358.434 3.468 0 1 FGAF CS(=O)(=O)Nc1ccc([C@@H](O)CCCN2CCCCCCC2)cc1 26849470 UGDCIRFXDOXNFT-SFHVURJKSA-N 354.516 3.138 0 1 FGAF CC[C@]12C=CCN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C1)O[C@H]32 2356742237 DKJYFUMATVMRHB-SESVDKBCSA-N 352.434 3.107 0 1 FGAF C[C@H]1Sc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2NC1=O 66259948 OIMBGIKORVUTLW-LLVKDONJSA-N 361.511 3.158 0 1 FGAF C[C@@H]1CCCN1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1 35858532 AGDVFPLNDDIXBY-OAHLLOKOSA-N 358.449 3.366 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@@H](C)CCC[C@H]2C1 38192489 IDNZRSXQOGDYGG-XQQFMLRXSA-N 351.878 3.066 0 1 FGAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3F)ncn2)c1 198457966 NLMRBPNYBFJTTQ-UHFFFAOYSA-N 373.413 3.011 0 1 FGAF COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C(C)C)cc1 199224704 HNRMRQWGISJSMN-GOSISDBHSA-N 363.421 3.008 0 3 FGAF C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CNC1CCCCC1 85547844 UXYDDBLZCKSNAL-NHXLOTGOSA-N 366.505 3.082 0 1 FGAF biogenic,in-vitro O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cc(C(F)F)n1 148259532 FFNFOPGYCMQCGD-UHFFFAOYSA-N 361.283 3.388 0 1 FGAF CN1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95877045 DFXXWLCMZUFDSQ-FDFHNCONSA-N 354.469 3.347 0 1 FGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(F)cc1 299838778 ODEDMJHRJXYCQI-UHFFFAOYSA-N 367.760 3.248 0 1 FGAF CCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587584298 ZJJSAIUWPJTICK-PXNSSMCTSA-N 350.374 3.486 0 1 FGAF COC(=O)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 587029246 LQZGPRQMIGOQKT-UHFFFAOYSA-N 366.402 3.447 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 586882184 LZJYCPFFMMDDCF-UHFFFAOYSA-N 350.374 3.263 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn2ncccc12 587590363 ZOGKDWWDNXDTCQ-FXAWDEMLSA-N 359.341 3.138 0 1 FGAF O=C1CCc2cc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3cc2N1 587075902 MIKMSLLRWJYDCE-UHFFFAOYSA-N 364.796 3.349 0 1 FGAF CCn1ncc(Br)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377066 KQRSPBTZTMKPEJ-ZDUSSCGKSA-N 350.216 3.263 0 1 FGAF O=C(c1nccs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660359 BLVSEZZRHJXFNO-UHFFFAOYSA-N 351.362 3.348 0 1 FGAF C[C@]1([C@]2(F)CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337947 WIVIEWXHHPFSRB-UXPWSPDFSA-N 374.339 3.304 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)Cc1cccc(C(=O)O)c1 963609234 NCVZCGTVRYTUQP-ASSNKEHSSA-N 355.434 3.394 0 1 FGAF CCOC(=O)Cc1c(C(=O)OCCCN(C)C)[nH]c2cc(Cl)ccc12 13821258 VEWAQPNMJUJGCP-UHFFFAOYSA-N 366.845 3.035 0 1 FGAF NC(=O)N(O)CC1=Cc2cc(OCCCc3ccccc3)ccc2OC1 13833867 SDMFOFXWPYUZSS-UHFFFAOYSA-N 354.406 3.244 0 1 FGAF Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(C)CCc1ccccc1)CO2 206491506 WLWOXBHJKNAWMK-UHFFFAOYSA-N 361.445 3.452 0 3 FGAF COc1ccc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)cc1N 1857552839 JCSWMDDZVIPXPH-UHFFFAOYSA-N 355.394 3.156 0 1 FGAF Cc1ccccc1NC(=O)CCn1c(CCC(=O)O)nc2ccccc21 1857567634 FSMZYAWIXCVTTN-UHFFFAOYSA-N 351.406 3.391 0 1 FGAF Cc1cccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccccc3)N2S(C)(=O)=O)c1 1857590994 RBVRUEDMYYLYLC-OALUTQOASA-N 371.458 3.454 0 1 FGAF C[C@H](CCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345610 VZEGHYGOTDETNP-BFMVXSJESA-N 372.502 3.400 0 1 FGAF Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)[C@@H](C)Oc3ccccc3)cc12 3911844 ZXWSBPXYCLRFMV-MRXNPFEDSA-N 364.445 3.271 0 1 FGAF Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1cccc(C)c1C 6802745 TUQVCXARPSXSEF-UHFFFAOYSA-N 355.463 3.393 0 1 FGAF O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 101328760 HAOXLWHTJOXRAS-LPMFXHHGSA-N 360.413 3.406 0 1 FGAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(F)ccc32)CC1 22940738 XISRGFHXAPVIRZ-FPOVZHCZSA-N 358.432 3.151 0 1 FGAF Oc1ccc2c(c1)-c1c(c3cc(O)ccc3n1CCN1CCOCC1)CC2 31871981 QPGOLBVDVVXGMN-UHFFFAOYSA-N 364.445 3.150 0 1 FGAF COc1cc(C)c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c1C 14613422 COJRBNIKTUZKMH-UHFFFAOYSA-N 372.373 3.184 0 1 FGAF biogenic CSCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231720 AMRUIPIFXBDZGZ-CJNGLKHVSA-N 358.511 3.383 0 1 FGAF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)oc1C 82175651 AWRLBPLGLZKZHW-UHFFFAOYSA-N 354.385 3.391 0 1 FGAF CC(C)N1C[C@@]2(CCCN(Cc3noc(C4CCCC4)n3)C2)CCC1=O 82145911 LVXBVSDSGQGDFC-FQEVSTJZSA-N 360.502 3.340 0 1 FGAF Cc1cc(-c2ccc3[nH]ccc3c2)nnc1N1CCN(c2ncccn2)CC1 95574920 BSEJYHMPGCUUOW-UHFFFAOYSA-N 371.448 3.050 0 1 FGAF O=C(O)/C=C1/CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1SO 299853174 GRUGUUKMIXOMMR-UKGUVBINSA-N 365.426 3.137 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(O)cc1O 587612814 WOCQVPUSLRSUAE-XLIONFOSSA-N 366.325 3.212 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C[C@H]3CCC(=O)[C@@H]3C)nc2c1 587963366 NFPZOOXEPOTCTN-RKDXNWHRSA-N 365.227 3.270 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 587245528 YWKSJUDMEDOEDW-KHPPLWFESA-N 355.419 3.008 0 1 FGAF COc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 587167630 AGJFIIFJQPZNDO-UHFFFAOYSA-N 350.357 3.231 0 1 FGAF Cc1ccc([C@]2(CCn3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587392710 WDSAHGRDBPHTNI-NRFANRHFSA-N 362.433 3.428 0 1 FGAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3COc4ccccc4O3)nc1-2 586919120 YBQYPTBZQJJSPD-QMMMGPOBSA-N 356.691 3.489 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N(CC(=O)O)N=O)cc1)O2 587388294 ZRQCDCBPATVFSH-LJQANCHMSA-N 369.377 3.030 0 1 FGAF CC(C)(SCc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)O 586960156 SZOGRPJOMMODIN-UHFFFAOYSA-N 364.652 3.470 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCCC2)N1 587754875 LLXLLYWIONPMBQ-QMTHXVAHSA-N 369.278 3.470 0 1 FGAF O=C1C[C@H]2CC[C@@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605068 XDRKJMDPJZQZIP-NPCQMMLFSA-N 350.370 3.482 0 1 FGAF O=C1CC=C(c2nc3cc(F)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 587164367 UADUFRCXTBBHHV-UHFFFAOYSA-N 358.323 3.258 0 1 FGAF CCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597903 SIKBSNKSPCQASU-UZLBHIALSA-N 356.374 3.456 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccnc1)C1CCOCC1 963636409 QSHUPTYANMNCJJ-QRQCRPRQSA-N 368.477 3.303 0 1 FGAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCC23CCOCC3)N1 962714801 VQUWQGMKAKZRBV-YOEHRIQHSA-N 373.346 3.229 0 1 FGAF COCC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239496 XBJYBBDEBIXVNS-RBBKRZOGSA-N 362.429 3.114 0 1 FGAF COc1ccccc1[C@@]1(CN)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713421 RRTWQQMCMWPFSG-QVKFZJNVSA-N 372.509 3.400 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H](COc2cccc(C(=O)O)c2)COC1(C)C 219723565 HKSIJEOTZYWKBP-ZDUSSCGKSA-N 351.399 3.136 0 1 FGAF biogenic COC(=O)[C@@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169353112 ORFLNTHIEFVEDL-FYZZASKESA-N 366.461 3.497 0 1 FGAF CCCCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@H](O)CCCC(=O)O 169622158 RIBVJRIPUIBKFY-AKZHIYLFSA-N 352.471 3.251 0 1 FGAF O=c1cc(Cc2cccc(-c3cccc(C(F)(F)F)c3)c2)nc(O)n1O 1857649918 GUNGFBXSCWXWKV-UHFFFAOYSA-N 362.307 3.463 0 1 FGAF CSc1nn2ccc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1 66079132 DGZRDRVJWDVPCG-UHFFFAOYSA-N 371.846 3.385 0 1 FGAF CC[C@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2Cl)C1=O 2934246 FRPAUWJWFXRFCS-MRXNPFEDSA-N 358.825 3.160 0 1 FGAF S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1 52716756 PQSQAZFTLXRLJP-UHFFFAOYSA-N 354.479 3.426 0 1 FGAF CCCOc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)O 103188528 ZQDIAJKKORYIJI-UHFFFAOYSA-N 350.396 3.132 0 1 FGAF Nc1nc2c(s1)[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102044458 NZTIWRLDGRISFM-ZWNOBZJWSA-N 369.899 3.219 0 1 FGAF Oc1ccc(-c2cn[nH]c2)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 66101792 KPSNUTQWPXBRKK-HNNXBMFYSA-N 372.432 3.166 0 1 FGAF COc1ccc(-c2[nH]c(=O)oc2-c2cc(OC)c(OC)c(OC)c2)cc1 26826839 VWFGGFNHNIBFPJ-UHFFFAOYSA-N 357.362 3.336 0 1 FGAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2cccc(C(=O)O)c2)c1)C(=O)O 45340391 GYQQZBHHWTWPIA-ZDUSSCGKSA-N 354.189 3.313 0 1 FGAF CCCCC[C@H](O)C[C@@H](CCc1cc(OC)c(O)cc1CO)OC(C)=O 85628502 ZZYCHYCROSQANS-ZWKOTPCHSA-N 368.470 3.089 0 1 FGAF biogenic,in-vitro C[C@]1(C(=O)NC2CCCC2)CCC(=O)N1CCc1c[nH]c2ccccc12 199398113 IETGJEQCUAGXDV-OAQYLSRUSA-N 353.466 3.150 0 3 FGAF Cc1ccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c(C)c1 95565243 CYEYUKGUDQKIRV-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF CC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C(C)=O)c2O)c(C)c1O 95486194 CRDLOSDZECLADA-UHFFFAOYSA-N 372.373 3.353 0 1 FGAF biogenic,in-vitro Nc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169005 HKCROMGMCGXWGU-UHFFFAOYSA-N 354.454 3.001 0 1 FGAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCc1cccs1 25427578 ISRPQQCQSDUNKU-CVEARBPZSA-N 371.506 3.338 0 1 FGAF biogenic Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1 653871542 INUJDJRLWWWXII-UHFFFAOYSA-N 368.477 3.452 0 1 FGAF NC(=O)c1nnc2c3ccccc3c(Oc3ccc(Cl)cc3Cl)nn12 653709676 GASFEFHRDZZWBB-UHFFFAOYSA-N 374.187 3.476 0 1 FGAF CC(C)(C)OC(=O)N(Cc1nc2cc3cn[nH]c3cc2[nH]1)C[C@H]1CCCO1 587196616 AGUNLHANDYDGEA-CYBMUJFWSA-N 371.441 3.355 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2O)N1 587774594 WVVSXAWYEYBXET-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]ccnc2-3)N1 587808589 ZVQZANPSSOXLIZ-CLAHSXSESA-N 361.218 3.435 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)([C@H](C)Oc1cccnc1)O2 587387926 UVGWVJXDGWQPBE-ZUPOHJFFSA-N 367.449 3.219 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cncc32)N1 587774537 WGWXPZAEBLUXHB-QFYYESIMSA-N 350.235 3.356 0 1 FGAF COc1ccc(F)cc1[C@@]1(C(=O)O)c2ccc(F)cc2C[C@@H]2CCCN21 963096286 DDTWTNMISIFAST-MGPUTAFESA-N 359.372 3.322 0 1 FGAF Cn1c(C(F)(F)F)ccc1[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906747 QWYIHJKCGGVAAR-BLLLJJGKSA-N 356.319 3.045 0 1 FGAF CNc1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772602174 LFUBEMFSRYUGLW-UHFFFAOYSA-N 358.448 3.298 0 1 FGAF O=C1COc2ccccc2N1Cc1cn(Cc2cccc3ccccc23)nn1 1772577109 RMULYZHPKMEGQR-UHFFFAOYSA-N 370.412 3.405 0 1 FGAF O=C(O)c1cn(CCc2ccc(-c3ccc(F)cc3)cc2)cc(O)c1=O 1772634125 NUIWFZYKXLKTNQ-UHFFFAOYSA-N 353.349 3.301 0 1 FGAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccon1 13583766 JXMLZUGRQOMINA-ZDUSSCGKSA-N 365.430 3.048 0 1 FGAF O=C1[C@@H](F)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762629 CTLHGLZELHMPOK-CJNGLKHVSA-N 362.351 3.004 0 1 FGAF COc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)c1 1857765680 ODPYJTKDADFGOZ-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C)c2s1 103264860 LHKCLKRGRJHELV-UHFFFAOYSA-N 357.439 3.242 0 1 FGAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(=O)(=O)O)o1 27765068 VXNBHMYUPHHBJB-QPEQYQDCSA-N 364.350 3.468 0 1 FGAF COc1ccc(S(=O)(=O)Nc2ncccc2Nc2ccc(O)cc2)cc1 22199934 XXRQGDCIUODIMK-UHFFFAOYSA-N 371.418 3.340 0 1 FGAF C[C@@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39310067 ZLWHBJIIEMDIFM-XBFCOCLRSA-N 361.463 3.086 0 1 FGAF O=C1COc2ccc(Nc3nc(Nc4cccc(O)c4)ncc3F)cc2N1 35791900 YFIAWLDYEOCYGT-UHFFFAOYSA-N 367.340 3.139 0 1 FGAF O=c1cnnc2n1-c1ccc(Oc3ccccc3Br)cc1CC2 40408998 RWKNDNSFKLYVLC-UHFFFAOYSA-N 370.206 3.281 0 1 FGAF Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1 95575813 NNXMGTRINHPQFM-UHFFFAOYSA-N 351.414 3.406 0 1 FGAF CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)cn1 149906419 XLBDMSGNJYNJRN-INIZCTEOSA-N 361.829 3.047 0 1 FGAF CCO[C@@H]1OC(C(=O)N2CCCC2)=C[C@H](c2ccccc2)[C@H]1CCCO 95783961 RIMMSYQHDBFIPX-DBXWQHBBSA-N 359.466 3.058 0 1 FGAF CC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1 261102328 GPVXDQQDXZRNNK-UHFFFAOYSA-N 371.456 3.375 0 1 FGAF O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCCCC2 299826798 DYDMQTJZQBAGEY-UHFFFAOYSA-N 355.482 3.378 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523039 MOLAJCOAFIZUMC-NRFANRHFSA-N 374.433 3.032 0 1 FGAF COc1cc(C2(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CC2)ccc1C 587928055 XMIQTKRXOSKIPM-UHFFFAOYSA-N 358.419 3.207 0 1 FGAF Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2ccc(F)c(Cl)c12 587632195 SGHUQKRXLQTSBM-UHFFFAOYSA-N 357.776 3.325 0 1 FGAF COc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl 586962637 TYQOBCPDFCCQGW-ZCFIWIBFSA-N 351.819 3.156 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cc3ccccc3o1)(C(=O)O)O2 587407269 BPJHQRRIQQHTPH-HXUWFJFHSA-N 351.358 3.355 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075847 LMXXORLOIYMRKX-UHFFFAOYSA-N 366.812 3.166 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)c2)N1 587748147 VCHHBMLHTFYKRC-FVMDXXJSSA-N 350.235 3.193 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ncnn12 587585317 DDRXQFFQUMUJSR-YLJYHZDGSA-N 359.341 3.138 0 1 FGAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2c(C(=O)O)cccc12 587637413 IMZZLPKSUUTPIY-UHFFFAOYSA-N 359.284 3.167 0 1 FGAF CC1(C)O[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2O1 587606427 CJYSPNDFCJXLKZ-NNNWTRQLSA-N 368.385 3.407 0 1 FGAF CNc1cc(Cl)ccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587067041 YXDUOQWQRAWOQN-UHFFFAOYSA-N 364.858 3.175 0 1 FGAF CC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587193447 AMYJRNBLEVXFNQ-OAHLLOKOSA-N 360.458 3.283 0 1 FGAF CN(C)C(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587127309 WLNGCEHTUATQEF-UHFFFAOYSA-N 355.360 3.205 0 1 FGAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cncnc2[nH]1 587230302 DAEDSMBVDRBMDB-UHFFFAOYSA-N 374.404 3.242 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccnc(Cl)c2[nH]1 587193965 KDMPUKKLDKBQBB-NSHDSACASA-N 353.854 3.129 0 1 FGAF Nc1cccc(O)c1-c1nc2cccc(I)c2[nH]1 587250272 LRYKIBWPNILNFM-UHFFFAOYSA-N 351.147 3.122 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962940253 ACPAFVZLVBYTSY-XJWDEFRUSA-N 368.477 3.466 0 1 FGAF COc1cc(OC)nc(Sc2ccc(C(=O)O)cc2Br)n1 1857539577 FIUYCXPGMUSUDA-UHFFFAOYSA-N 371.212 3.106 0 1 FGAF CCCC[C@@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 169324006 PVLOTBPQKUNKGI-RDMSWVQKSA-N 366.498 3.340 0 1 FGAF Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCc1cccc(F)c1)CO2 201466599 NATFHYVQWNDGFM-UHFFFAOYSA-N 365.408 3.249 0 3 FGAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(-c3nn[nH]n3)cnc12 203702303 XJKWVCFFEVPASU-UHFFFAOYSA-N 360.208 3.275 0 1 FGAF COCCCOc1ccc(Nc2nccc(N3CCSCC3)n2)cc1 1857535661 ZNDQTZJANGQEIA-UHFFFAOYSA-N 360.483 3.189 0 1 FGAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccccc2)nc2ccc(C)cn12 1857592134 MOJQKAVDHDSCDQ-CQSZACIVSA-N 350.422 3.423 0 1 FGAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 587534 ASOMNDIOOKDVDC-UHFFFAOYSA-N 363.465 3.346 0 1 FGAF CCC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)cc2C[C@@H]1C 6730196 LGIGEQRVHXOBOR-ZQIUZPCESA-N 364.511 3.231 0 1 FGAF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)nc1)CC2 115603925 USIKCXQLXHGVDD-HNNXBMFYSA-N 370.340 3.223 0 1 FGAF CCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(Cl)cc1 28220194 XRIHXUYKZGXHML-QGZVFWFLSA-N 357.885 3.465 0 1 FGAF CN(C)[C@@H]1CCN(c2nc(-c3c(O)cccc3F)nc3ccccc23)C1 66111767 VOXQPZIYONOPBH-CYBMUJFWSA-N 352.413 3.282 0 1 FGAF COc1ccc(-c2nc3c(C(N)=O)cccc3n2OCc2ccccc2)cc1 27325202 ZMCLDNWYQVEMST-UHFFFAOYSA-N 373.412 3.440 0 1 FGAF CC(C[C@@H]1OC(=O)C2=CCCC(=O)[C@]21C)=C1C[C@H](c2ccoc2)OC1=O 2356708690 YSMKTAQFAWMSRW-SYNHAJSKSA-N 356.374 3.195 0 1 FGAF CCCNC[C@@H](O)COc1cccc2c(=O)c(-c3ccccc3)coc12 27098539 NXSCGBSXWJOKFK-MRXNPFEDSA-N 353.418 3.199 0 1 FGAF COc1ccc2c(c1OC)C(C)(C)[N+]1=C(C2)c2cc3c(cc2CC1)OCO3 72104571 DWAOYZCOGSADCD-UHFFFAOYSA-N 366.437 3.282 0 1 FGAF C/C=C(\CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 33841038 FRUFGLJBMBUARK-AHHXMMTISA-N 352.434 3.083 0 1 FGAF biogenic,in-vitro CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C(C)C 14826967 GUWOWSAGEMNEHI-QZTJIDSGSA-N 374.389 3.136 0 1 FGAF biogenic COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(N)=S)cc1 40753573 HSFRAOMJWOOIRN-LPHOPBHVSA-N 367.474 3.271 0 1 FGAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCC 82210762 YQZOOCIOQVXUAO-GECYSXLNSA-N 364.530 3.435 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)cc1 587867402 CXJLWLDACFXCCT-UHFFFAOYSA-N 363.295 3.367 0 1 FGAF COc1cc(C)ccc1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 587564468 SINGLZXTRRETIT-UHFFFAOYSA-N 355.438 3.399 0 1 FGAF N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1cccc2ccccc12 587258273 DTORXTTWJYWEPR-LBPRGKRZSA-N 353.476 3.326 0 1 FGAF O=C(O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604737 VXYZYLKYOQGGHF-JTBRQZTESA-N 354.358 3.367 0 1 FGAF C[C@@H](F)[C@@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587124954 QBDGUXZZYQVBLA-ALFREKQPSA-N 351.017 3.446 0 1 FGAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(CN5CCOCC5)cc4[nH]1)(C3)C2 587968516 FCBNKKWIGBCTMB-KGXABQLCSA-N 365.477 3.042 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cccc(C(=O)O)c3[nH]2)C(F)(F)F)n1 587094065 JELYTQWRWXRSSS-CQSZACIVSA-N 371.340 3.019 0 1 FGAF COC(=O)c1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 587235752 QZGNRUTWQVRWLA-VXGBXAGGSA-N 374.441 3.295 0 1 FGAF CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)CC4 587211118 CEZDSMKSZUKVAC-LIRRHRJNSA-N 363.413 3.016 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Cl)cc4)nn1)[C@@H](C2)C3=O 587423499 UQEITNYUICZYEW-LIRRHRJNSA-N 367.792 3.418 0 1 FGAF COc1cc(Br)c([C@H](N)c2nc3ccccc3[nH]2)cc1OC 586975663 PDDOLCWUCAXTII-HNNXBMFYSA-N 362.227 3.391 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586939423 OGYUESRRSHTAJU-NSHDSACASA-N 369.450 3.183 0 1 FGAF O=S(=O)(/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1 586925171 WRRLZGXAUYSZRL-YFHOEESVSA-N 368.393 3.332 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncncc32)N1 587777275 GLWOJSZAZFQKDZ-BTDLBPIBSA-N 362.246 3.492 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(OC)c4OC)[C@@H](C2)C3=O 587440529 BSQTUEXTHAGKDZ-BTYIYWSLSA-N 352.386 3.302 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@H]2c1cnc(-c2cnn(C)c2)s1 963256150 AOKKOSBLLWXBNP-INIZCTEOSA-N 360.870 3.441 0 1 FGAF O=C(O)c1ccnc(-c2cn(CCNCC3CCC(F)(F)CC3)cn2)c1 225944922 LINOVANVVSYFAN-UHFFFAOYSA-N 364.396 3.058 0 1 FGAF CCn1c(=O)cc(OCC(=O)N(C)c2ccc(OC)cc2)c2ccccc21 5067266 XIOPDPVSIOHQFG-UHFFFAOYSA-N 366.417 3.072 0 1 FGAF O=C(OCCCc1cccc(O)c1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833616 JYAZIIOHQQCOFF-UHFFFAOYSA-N 373.792 3.382 0 1 FGAF Cc1cc([C@@]23O[C@@H]4COC(C)(C)O[C@@H]4[C@@H]2OC(C)(C)O3)nc2ccccc12 17255919 ZUAHQDPDUQIUOG-NKMKZGIRSA-N 371.433 3.398 0 1 FGAF COc1ccc(COc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1 169304383 IGTMITRCOUEFCQ-QGZVFWFLSA-N 355.434 3.119 0 1 FGAF CON(C)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714113 RHQIGACYPYFPMM-OWVDYMSYSA-N 360.498 3.279 0 1 FGAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@H]1c1ccccc1 1857648666 IHFMBXXPNLBYBX-SFHVURJKSA-N 369.471 3.144 0 1 FGAF CCOc1sc2nc(C)n(CC(=O)Nc3cccc(C)c3)c(=O)c2c1C 4563673 LMZGBPVBNMYFDA-UHFFFAOYSA-N 371.462 3.421 0 1 FGAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(OC)nc3)cc2n1 103263078 DVMOXOIWYCBMCT-UHFFFAOYSA-N 372.498 3.167 0 1 FGAF CC[C@H](C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 104010682 CBTYCWPUILXVCP-XHVZSJERSA-N 372.416 3.141 0 3 FGAF CSc1cccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 22932933 GWJYUOZBJZFPMC-FQEVSTJZSA-N 356.535 3.477 0 3 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13[C@H](O)C[C@H]1[C@](C)(CCC[C@@]1(C)CO)[C@H]3CC2 2356606380 NHTHQAOIQLEDDF-UDWPLSEGSA-N 362.510 3.460 0 1 FGAF O=C(OCCF)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2 137263626 VLIANQRCIMWNHF-XGUBFFRZSA-N 356.235 3.186 0 1 FGAF CCOc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 40846184 ZBNSUYNLJGCXBI-UHFFFAOYSA-O 352.410 3.472 0 1 FGAF C=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H]1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C 14658273 WHHWCIFCUMPODM-LZMPPPIHSA-N 358.434 3.090 0 1 FGAF biogenic O=C1CO[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 45358211 LTLKUWXGZAKLNP-OAHLLOKOSA-N 366.200 3.370 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)c(OC)c3O2)cc1O 138579385 XDLLRTDMZHDGIM-HNNXBMFYSA-N 360.362 3.133 0 1 FGAF COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 40575542 QQNWVORTUJAROO-QGZVFWFLSA-N 369.461 3.382 0 1 FGAF CN(C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2F)C1 95557440 HNOJMKKDNZJMSI-CQSZACIVSA-N 372.465 3.436 0 1 FGAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2Cl)s1)C(=O)O 145969147 LRYCCXCWOKPCPE-QMMMGPOBSA-N 366.826 3.168 0 1 FGAF COc1cc(Cl)ccc1-c1cc(=O)n2ncc(-c3ccccn3)c2[nH]1 653663531 MFYIODPAOABJMU-UHFFFAOYSA-N 352.781 3.414 0 1 FGAF O=C1CCc2cc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc2N1 587041197 LJWPMJHNOPDCEK-IEBWSBKVSA-N 364.474 3.394 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3[nH]ncc3cc2[nH]1 587037934 ATJZICUVNZWXHZ-UHFFFAOYSA-N 357.399 3.305 0 1 FGAF COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc(OC)c1O 587786400 QLYBKYQRBAURTH-UHFFFAOYSA-N 365.183 3.421 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccnc1Cl)[C@@H](C2)C3=O 587423300 WMSWWUDDOIXVBK-OFENVMMZSA-N 370.836 3.462 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cncc2-3)N1 587802549 MSORYVXDGZZDDG-GLEZIHRCSA-N 361.218 3.435 0 1 FGAF C[C@@]1(c2cc(CO)on2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349531 UXHDLOODORCOQN-QUCCMNQESA-N 369.348 3.286 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1 587776186 BPRSJERKBBNTTL-MGPLVRAMSA-N 350.235 3.484 0 1 FGAF COCCCNCC(=O)N1CCc2sccc2[C@H]1c1ccccc1C 4562016 HWBVDGSLCDTWLW-HXUWFJFHSA-N 358.507 3.157 0 1 FGAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(OC)cc2)c1)C(=O)O 12358333 MFLWROATQYHEKE-INIZCTEOSA-N 371.433 3.287 0 1 FGAF O=C(Nc1ccncc1)[C@@H]1C(=O)c2ccccc2N(Cc2ccccc2)C1=O 13818103 RDOYMVLVSNDQGV-IBGZPJMESA-N 371.396 3.066 0 1 FGAF CC(C)(C)n1ncc2c(=O)n(Cc3cc(F)c(F)cc3Cl)cnc21 13831267 GWRDPGKROWBEHA-UHFFFAOYSA-N 352.772 3.328 0 1 FGAF O=C1Nc2ccccc2C(=O)[C@H]1CCCN1CCN(c2ccccc2)CC1 169317046 YZQQMFPWHJROTN-LJQANCHMSA-N 363.461 3.040 0 1 FGAF NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(Cl)cc(Cl)c1 169342589 YOIXUDZDAZSIKD-UHFFFAOYSA-N 366.233 3.255 0 1 FGAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@@H]1CCOc2ncccc21 205621853 ZQJVKJOQFKOGOL-GFCCVEGCSA-N 367.232 3.063 0 1 FGAF FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 1857573023 RSEOXWPUDYEWFU-JTQLQIEISA-N 362.359 3.203 0 1 FGAF FC(F)(F)[C@H]1CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1 1857599556 WLQOOSNLZFGHFK-QGZVFWFLSA-N 359.355 3.032 0 1 FGAF O=C(O)COCC(=O)N1CCC(C(c2ccccc2)c2ccccc2)CC1 3645219 ZMYIPQJVDWOHNA-UHFFFAOYSA-N 367.445 3.158 0 1 FGAF CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 58633578 WJOUGMPFYANZMI-INIZCTEOSA-N 366.469 3.344 0 1 FGAF in-vitro CCOC(=O)C/N=c1\nc(-c2ccc(OC)cc2)n(-c2ccccc2)s1 101506394 XGZKAMDPYQVPGU-FMQUCBEESA-N 369.446 3.073 0 1 FGAF CC(=O)Nc1cccc(C(=O)C[C@@H](/C=C/c2ccccc2)NC(C)=O)c1 72113545 ZIDOYQKOBDSGMG-YVNCXZRQSA-N 350.418 3.436 0 1 FGAF Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@]1(C)C(=O)NCC(C)C 61898466 ZDNFQJNNURQKHO-KRWDZBQOSA-N 371.403 3.176 0 3 FGAF CC(=O)OCC=C(C)C[C@@H]1C=C(CCC=C(C)COC(C)=O)C(=O)O1 2356765178 YSAVITUVNGFNPS-GOSISDBHSA-N 350.411 3.027 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)=CN1 2356828309 ZEDMEULLNIXPOX-KRWDZBQOSA-N 368.436 3.097 0 1 FGAF CN1CCN([C@@H]2Cn3c(CO)ccc3Sc3ccc(Cl)cc32)CC1 22930403 QBPQVMUTULJKKG-MRXNPFEDSA-N 363.914 3.087 0 1 FGAF CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1 49055387 NNOHEYLTIADEJF-HNNXBMFYSA-N 358.438 3.490 0 1 FGAF COc1cc(-c2oc3c(C)c(OC)cc(O)c3c(=O)c2OC)ccc1O 14647597 WLLOTQCRMSKSCK-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic CC(C)Oc1cc2c(-c3cc(N4CCO[C@@H](C)C4)ncn3)n[nH]c2cc1F 221265821 BHQSZNOBMWWHFK-LBPRGKRZSA-N 371.416 3.171 0 1 FGAF NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccco1 49112619 WMQZMNYQCXNNHB-IBGZPJMESA-N 354.381 3.314 0 1 FGAF COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 95559957 UDERDBUIILFLCF-UHFFFAOYSA-N 361.401 3.416 0 1 FGAF COc1cc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc(OC)c1 96934907 ZWLDINUGCPPSCJ-UHFFFAOYSA-N 371.462 3.443 0 1 FGAF Cc1ccccc1OC(=O)C[C@@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@@H]12 377605784 FURVGTBPFJSHRC-KZULUSFZSA-N 371.804 3.321 0 1 FGAF COc1cc(CNCCN2CCC(Cc3ccccc3)CC2)ccc1O 299856969 LPFRMUJEZJZSTA-UHFFFAOYSA-N 354.494 3.445 0 1 FGAF CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccnc3)ccc21)C(=O)O 299835248 WXPABXLXKKGPPO-SFHVURJKSA-N 365.433 3.319 0 1 FGAF CCCC[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccccc1 653861664 BXNJDUGGWREAFL-QGZVFWFLSA-N 362.470 3.127 0 1 FGAF Oc1nc(-c2cc(-c3ccsn3)n(Cc3ccccc3F)n2)ncc1F 653835871 RBWLDCQYQFZQOH-UHFFFAOYSA-N 371.372 3.496 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCCN(C)N=O)(c1cccnc1)[C@@H](C2)C3=O 587427306 CYLCOEKLGVJKFZ-JXFKEZNVSA-N 367.405 3.127 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755461 OMRXWGRFXDCPDN-GTNSWQLSSA-N 371.294 3.498 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2O)N1 587773909 SCZUBNMVOYIARJ-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cnn(C)c2)N1 587762114 XFRLRNCIQHZKBG-QFYYESIMSA-N 352.251 3.314 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C(=O)C1)O2 587396568 UHTKBUDYMUTMJI-OAQYLSRUSA-N 350.418 3.104 0 1 FGAF O=C1COc2cc3[nH]c(-c4cc(F)cc(Br)c4)nc3cc2N1 587160695 BAWBYMQYANUALI-UHFFFAOYSA-N 362.158 3.462 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(N)=O)cccc3[nH]2)s1 587022909 DWMQBNNAJPIMHX-UHFFFAOYSA-N 359.411 3.132 0 1 FGAF C[C@@]1(c2ccc(O)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346004 KTBWJSVQLGLNNV-QUCCMNQESA-N 366.348 3.301 0 1 FGAF NNc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661234 VEUKLDPLWFWOQH-UHFFFAOYSA-N 374.375 3.177 0 1 FGAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N(C)C)nc12 208127740 YQCCGACXCNMLQC-UHFFFAOYSA-N 350.831 3.267 0 1 FGAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 13337281 WDAMTPQABGTUDL-YEJXKQKISA-N 358.434 3.323 0 1 FGAF biogenic O=C(O)Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12 13449002 RUKUNINLSWDPDM-UHFFFAOYSA-N 368.776 3.472 0 1 FGAF CC[C@@H](COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794993 NCQJZAUUDASTMD-HNNXBMFYSA-N 354.458 3.281 0 1 FGAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1OC(=O)C(C)C 14728321 IGCZWOGVHOOOEO-INIZCTEOSA-N 372.373 3.374 0 1 FGAF endogenous,in-man Cc1ccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)cc1 169710043 IEHBHFAOIXJVED-UHFFFAOYSA-N 359.433 3.182 0 1 FGAF COc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 778493 DLLJAAOFHBTKQQ-UHFFFAOYSA-N 355.375 3.195 0 1 FGAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356305796 HFANEMFLQXMQET-LSDHHAIUSA-N 371.481 3.399 0 1 FGAF CCC=CC[C@H](O)[C@@H](O)[C@@H](O)C=CCC=CCC=CCCCC(=O)O 2356307214 PKEIAUUUFLFOHM-CMKODMSKSA-N 352.471 3.129 0 1 FGAF COc1ccc(-n2nc(C(=O)N3CCCCC3)c3ccccc3c2=O)cc1 2943253 IUDYCHHIBHXZAV-UHFFFAOYSA-N 363.417 3.020 0 3 FGAF CC(C)N(CC(=O)N[C@H]1c2ccccc2OCc2ncccc21)C(C)C 27880675 XOZRXMYTIZSTJV-OAQYLSRUSA-N 353.466 3.298 0 1 FGAF COc1ccc([C@H]2[C@H]3C[C@H](N)c4ccc(OC)cc4C3=NN2C(C)=O)cc1 28635828 FEXGDGQLHSFRNL-ZJOUEHCJSA-N 365.433 3.031 0 1 FGAF O=C(c1cccc(F)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59275495 ICYQAWJIUYOVPA-UHFFFAOYSA-N 368.742 3.246 0 1 FGAF CC(C)OC(=O)n1c2cc(F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26382210 LNFPPFRJHHMPKJ-UHFFFAOYSA-N 374.368 3.392 0 1 FGAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 28230704 LOKFZSDJXQTSFH-ITSHWKNOSA-N 369.458 3.201 0 1 FGAF Nc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=[N+]([O-])C2 29333040 NBDMULRONZEXNZ-UHFFFAOYSA-N 354.772 3.380 0 1 FGAF Fc1ccc2[nH]cc(CCNCCOc3cccc4c3OCCO4)c2c1 27212893 VDDABROBOWDPAL-UHFFFAOYSA-N 356.397 3.289 0 1 FGAF COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC)[nH]n2)c(OC)c1 61905721 FWYLPIGNGZZFIW-UHFFFAOYSA-N 371.368 3.494 0 3 FGAF OCc1ccc([C@@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26848766 WFMKOULAYUNIIA-QHCPKHFHSA-N 371.440 3.374 0 1 FGAF COc1ccc(C(=O)N2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 2356700120 WLYQOLBHOFZAMR-MRXNPFEDSA-N 370.380 3.206 0 1 FGAF NC(=O)c1c(F)ccc(OCc2nc3ncc(Cl)cc3s2)c1F 49068688 XRIOBMZSHACRBN-UHFFFAOYSA-N 355.753 3.301 0 1 FGAF COc1ccccc1-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1OC 14644305 NDPLDNPWMUMQNB-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic CC(C)O[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40935422 CCWMVANLNDJTSE-WFASDCNBSA-N 366.849 3.089 0 1 FGAF CNc1nc(NCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 82131729 RREDEKSFSGURMX-UHFFFAOYSA-N 368.437 3.352 0 1 FGAF COCCn1c(-c2ccoc2)nc2c(NCc3cccc(F)c3)ncnc21 82181499 FXVBWFPSMVKIPS-UHFFFAOYSA-N 367.384 3.484 0 1 FGAF Fc1ccc(-c2n[nH]cc2CNc2cc(C3CCNCC3)ncn2)cc1 46173763 LODHEEKNVSQXBE-UHFFFAOYSA-N 352.417 3.085 0 1 FGAF CN1[C@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1C[C@@H]2OC(=O)c1ccccc1 238735319 JRPXXGFURWDPJS-FYQPLNBISA-N 365.429 3.304 0 1 FGAF Fc1ccc(Nc2cc(N[C@H]3CCCNC3)nc3ccnn23)cc1Cl 95552606 DQHGXHGUNOSYSE-LBPRGKRZSA-N 360.824 3.429 0 1 FGAF COc1ccc(CN2C[C@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)cc1 299843719 WZSMWRBPVUCVPV-HKBOAZHASA-N 356.466 3.152 0 1 FGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587094404 RIFGOOQQHOFYKF-MRVPVSSYSA-N 355.295 3.017 0 1 FGAF Cc1nc(Nc2cccnc2)sc1-c1ccc2c(O)nc(O)nc2n1 587564120 OKQSXAOQYREYBK-UHFFFAOYSA-N 352.379 3.007 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(C)c2)(C(F)F)N1 587716904 KFXPPURFZHLPJQ-GLEZIHRCSA-N 374.204 3.365 0 1 FGAF N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cs1 587020570 BSVFKQKIUWHGOQ-UHFFFAOYSA-N 363.402 3.097 0 1 FGAF O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587600923 BZITYTUFYHFYFH-BRRGDZDMSA-N 350.370 3.482 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(F)cc(Br)c2[nH]1 587249385 KNWSHQJVOFLZGH-UHFFFAOYSA-N 364.174 3.336 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O 587421269 LKLJKGCDTUENGY-JEOXALJRSA-N 355.777 3.252 0 1 FGAF COC(=O)c1coc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615854 HTJBWCCAIXLYEZ-APWZRJJASA-N 366.325 3.475 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(c4ccccc4OC)CC1)[C@@H](C2)C3=O 587438426 PAXPFHXBAJXQRD-INIZCTEOSA-N 365.429 3.490 0 1 FGAF C[C@]1(c2ccc(N)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576704 HWNMCJSFOSBUCN-GHTZIAJQSA-N 362.385 3.434 0 1 FGAF Cn1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cccnc21 962707049 HKTWJJZBOHWFGJ-HOTGVXAUSA-N 359.351 3.308 0 1 FGAF Cc1c(O)ccc2c1[C@H](c1nc(C(C)C)n3ccccc13)N[C@H](C(=O)O)C2 963475035 ZINVNOZODIDDAN-IFXJQAMLSA-N 365.433 3.160 0 1 FGAF Cn1ccc2c1-c1nc(O)c(S(=O)(=O)c3ccccc3)cc1CCC2 1772654988 SSVWGYAABXBDCG-UHFFFAOYSA-N 354.431 3.114 0 1 FGAF COc1cc(OC)cc([C@H]2SCC(=O)Nc3cc4c(cc32)OCO4)c1 1772637994 AEYGWGDVMYHPDD-GOSISDBHSA-N 359.403 3.207 0 1 FGAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)N2CCCCC2)c(C)o1 5058126 FXJFKNULYGIIES-RUZDIDTESA-N 360.479 3.220 0 1 FGAF CC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 13864521 XBGCSAANSNGXGH-UHFFFAOYSA-N 356.451 3.058 0 1 FGAF in-vitro COC(OC)[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 14584215 APHZFPITYCSKIN-IVDHNXQLSA-N 372.417 3.202 0 1 FGAF CS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)sc1c(N)ncnc12 205457002 LDFHVGBVDSPPRI-UHFFFAOYSA-N 370.459 3.465 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3ncccn3)CC2)CC1 1857584268 BTUFHELPICUXQZ-SFHVURJKSA-N 367.497 3.119 0 1 FGAF COc1cc2c(cc1OC)[C@H]1[C@H](COC(=O)Nc3ccccc3)CN1CC2 1633286 KXDJOUNIDKLAMT-MGPUTAFESA-N 368.433 3.482 0 1 FGAF CCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O 2716292 QNQJRDNUPLANJI-UHFFFAOYSA-N 364.445 3.063 0 3 FGAF COc1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131663 DOQVKLKAKMSXTJ-UHFFFAOYSA-N 369.446 3.168 0 1 FGAF COC(=O)C1=CCCC2=C[C@@H](CC(C)=CC=C(C(C)C)C[C@@H]1O)OC2=O 2356471766 YQXSXPBPDWRFHK-MJGOQNOKSA-N 360.450 3.401 0 1 FGAF O=C(O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 27212430 IZDUWYLXOYFZMX-UHFFFAOYSA-N 350.783 3.320 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)nn2C)C1 61925704 RIDLVOAIOPFSDZ-NRFANRHFSA-N 354.498 3.215 0 3 FGAF C[C@@H]1CN2[C@H]3[C@H]4CC[C@@]35CCC[C@@H]5[C@@]3(CCC(=O)O)[C@H]2[C@]1(O)CC[C@]43C 2356783956 MUGPALRHVRSORL-IJRWULNQSA-N 359.510 3.281 0 1 FGAF CCCCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2106919 WXTMRLRWEXMODD-OAQYLSRUSA-N 353.466 3.190 0 1 FGAF biogenic O[C@@H]1c2cc(C(F)(F)F)ccc2NC12CCN(CC1CCOCC1)CC2 1911572405 GAIUGKPLSXCUQK-QGZVFWFLSA-N 370.415 3.426 0 1 FGAF O=c1oc2ccc(F)cc2c(O)c1Cc1c(O)c2cc(F)ccc2oc1=O 45256688 YCQSDAJEZMSIRC-UHFFFAOYSA-N 372.279 3.180 0 1 FGAF CCOCCn1c([C@H]2CCCN(C3CCOCC3)C2)nc2ccccc21 49110397 WQOMZYPBVOXQJY-KRWDZBQOSA-N 357.498 3.431 0 1 FGAF CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)[C@H](O)/C=C/C=C/[C@@H]1C 238770321 FREPAPPMSLOSTN-WIJWCWADSA-N 366.498 3.050 0 1 FGAF Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1 144930999 XCFKWUCNYGYTAY-UHFFFAOYSA-N 367.356 3.089 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN[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 299815023 QQXUUMQSOLWVHI-YYUVBMELSA-N 354.538 3.341 0 1 FGAF Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cn1 653833446 UGRSFYKZCVXIHX-UHFFFAOYSA-N 367.434 3.082 0 1 FGAF Nc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572446 VCMJGPIXNNPMHH-MAUKXSAKSA-N 352.321 3.211 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1csc(Br)n1)[C@@H](C2)C3=O 587453787 ZCUXOYQPQAMBBV-ISVAXAHUSA-N 352.209 3.403 0 1 FGAF C[C@H](Cc1ccnn1C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581210 KXHPRZDTEQKPIP-GIWSNZPPSA-N 364.401 3.335 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)ncc3[nH]2)CCC(O)CC1 587236665 CQGGLCKAEVZHKY-UHFFFAOYSA-N 366.849 3.266 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587231100 LQYPTSWLRWZDQK-VHSXEESVSA-N 371.268 3.301 0 1 FGAF Cc1nccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774613 MZDUKKGUFAIUJS-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cncc(Br)c2[nH]1 587044271 YKZDVOIGOGZFCW-SNVBAGLBSA-N 369.288 3.341 0 1 FGAF COc1c(F)cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1F 587134068 KLOAVIXZYSNQTR-UHFFFAOYSA-N 358.392 3.269 0 1 FGAF CC(=O)N1C[C@H]2CC[C@@]3(NCCc4c3c(C(C)C)nn4C)c3cccc1c32 962921588 UTIPVSJOOUOJAU-IVZQSRNASA-N 364.493 3.177 0 1 FGAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3c(OC)ccc(OC)c31)OCO2 963634591 KUFJEWDTZHOREJ-YBTHPKLGSA-N 357.406 3.065 0 1 FGAF CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901770 SBESMBVUDSZGKX-PKOBYXMFSA-N 361.800 3.301 0 1 FGAF COc1ccc(-c2cc3c(=N[C@H](CO)c4ccccc4)nc[nH]c3o2)cc1 1772617668 NACOHGGEFZVPOD-GOSISDBHSA-N 361.401 3.466 0 1 FGAF Cc1ccccc1C1=NN(C(=O)Cc2ccccc2)[C@](O)(C(F)(F)F)C1 1857751965 CBOWNWJZJOCUSQ-GOSISDBHSA-N 362.351 3.425 0 1 FGAF C[C@@H](N=c1nc(-c2ccccc2Cl)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857770278 BFRTUOCWCLMKIN-VXGBXAGGSA-N 357.889 3.457 0 1 FGAF CC1=CC=CN2C(=O)[C@](Cc3ccccc3)(NC(=O)c3ccccc3)N=C12 6806667 PPYKLAUKKXZMRT-QFIPXVFZSA-N 357.413 3.070 0 1 FGAF COP(=O)(OC)[C@H](C)OC(=O)COc1cccc(C(F)(F)F)c1 103275113 AVYLETHGFDDSHN-SECBINFHSA-N 356.233 3.459 0 1 FGAF O=[N+]([O-])OCCCNCCCNc1c2c(nc3ccccc13)CCCC2 29135998 ZXUFVYAMHXGBOE-UHFFFAOYSA-N 358.442 3.104 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)[C@H]1CC[C@H](C2)N1 100632744 VHNJTFTZTKPJJW-SJKOYZFVSA-N 370.449 3.499 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)N(C)CCCc1ccccc1 27109788 GGODMLQHZKOPNO-SFHVURJKSA-N 372.509 3.074 0 1 FGAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NC5CC5)[nH]c4C)ccc3[nH]2)n1 115839398 YTDCXDIMWOECOH-UHFFFAOYSA-N 362.393 3.117 0 1 FGAF CNC(=O)c1[nH]nc2c1C[C@@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28525931 XYYQUSQQASXEKW-GAPZROTKSA-N 351.450 3.045 0 1 FGAF CCCCCNc1nc(NC2CCCCC2)c2ncn(CC(=O)O)c2n1 66100322 XNVAKTRDLDBLKW-UHFFFAOYSA-N 360.462 3.258 0 1 FGAF C[C@@]12C(=O)N(CCc3ccccc3)C(=O)N1CCc1c2[nH]c2ccccc12 2155590 XZNYWAUNWUEASZ-JOCHJYFZSA-N 359.429 3.446 0 1 FGAF biogenic CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(N)c2)NC(=O)N1 73296706 XVBYKGUBMJDVMO-SFHVURJKSA-N 357.454 3.410 0 1 FGAF COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NNC(=O)C2 73163378 OSEJZGSKOGXIIY-UHFFFAOYSA-N 365.216 3.435 0 1 FGAF O=C(C1C2CC3CC(C2)CC1C3)N1CC(=O)N2CCc3ccccc3[C@H]2C1 49087718 QRJMKXCBHSPSCC-FOQJIBBJSA-N 364.489 3.027 0 1 FGAF O=C(C[C@@H](C(=O)Nc1ccccc1)N1CCOCC1)c1ccc(Cl)cc1 45365239 GQGOVJBXGDMDQN-SFHVURJKSA-N 372.852 3.252 0 1 FGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccco2)C1 82142622 XOMGJMDBTZALDN-GJZGRUSLSA-N 372.469 3.446 0 1 FGAF CC1(c2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)on2)CC1 147710870 HHWWQKVERHLHHW-UHFFFAOYSA-N 364.405 3.067 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cccnc3n2)N1 587776553 XYDWZSFOQNRZNB-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF O=C(COc1ccc2c(c1)OCO2)n1nc2cc1Oc1ccc(F)cc1-2 587873496 GLOCXWWISDKPQF-UHFFFAOYSA-N 354.293 3.243 0 1 FGAF Oc1nc2cc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc2[nH]1 587039093 CBNLCNJMDFKIBK-CVEARBPZSA-N 351.435 3.091 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@H]3C[C@H]4[C@H]2C(=O)[C@@H]2[C@H]4[C@H]3[C@H]21 587480462 KNWWLOZHVAIBBO-PYJMIUCMSA-N 350.414 3.006 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@H]1CCS(=O)(=O)C1 587867451 ZSKWPRQUHDYULY-CYBMUJFWSA-N 374.384 3.327 0 1 FGAF COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3cccc4c3c(c21)CC4 587211544 GTQITMSCAPQKEO-AWEZNQCLSA-N 368.433 3.341 0 1 FGAF COc1ccc(-c2oc3c([N+](=O)[O-])cc(C)cc3c(=O)c2O)cc1OC 34600354 IBTLUDYOHXKGJM-UHFFFAOYSA-N 357.318 3.399 0 1 FGAF O=C(NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 13734765 ZAEUSAHLTXAVDY-UHFFFAOYSA-N 365.477 3.428 0 1 FGAF O=C(Cn1nnc(-c2ccncc2)n1)Nc1ccc(Oc2ccccc2)cc1 201450093 RROSLICRMHGWMM-UHFFFAOYSA-N 372.388 3.166 0 3 FGAF COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC(C)(C)C)cc1OC 4901567 VHETVAAMHNSCRN-INIZCTEOSA-N 361.394 3.110 0 3 FGAF CCn1c(=O)cc(SCC(=O)NCc2ccc(C)o2)c2ccccc21 4936661 REFMJFMGWPDJTP-UHFFFAOYSA-N 356.447 3.331 0 3 FGAF CCCCCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101755431 KWPJIRLJRWHTAK-IAGOWNOFSA-N 373.497 3.320 0 1 FGAF C[C@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@H]1c1ccccc1 61944680 UVXLADRVBWIHIA-MEBBXXQBSA-N 368.252 3.250 0 3 FGAF CO[C@@H]1[C@@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]21 14724636 XAABSYWNTKOZII-GIVPXCGWSA-N 350.370 3.144 0 1 FGAF biogenic O=C1Nc2ccc(F)cc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 139460029 XGSBCFSXBRSLHX-MRXNPFEDSA-N 361.170 3.258 0 1 FGAF CCCC[C@H]1C(=O)[C@@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C(=O)[C@@H]1C 238744835 YJLIDBBCWAQBOC-SNVFFLBCSA-N 371.477 3.041 0 1 FGAF COc1cccc(OC)c1-c1cnnc(OCc2nc(C)c(C)s2)n1 95582285 KJKACUFTXALOCI-UHFFFAOYSA-N 358.423 3.208 0 1 FGAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@]3(C)C=C[C@]12[C@H]3O 238732862 QJZSHZNKPFATLO-BUKJFHBCSA-N 362.510 3.460 0 1 FGAF Cc1cc(Oc2nccc(C)c2F)ccc1-c1c(C)c(O)nc(=O)n1C 261183563 WRNFBRAPSGKHCL-UHFFFAOYSA-N 355.369 3.405 0 1 FGAF COc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(C(=O)O)cc4)C3)nc2c1 51076764 QRVUHIBQGHULHK-OAHLLOKOSA-N 351.406 3.259 0 1 FGAF biogenic COc1nc2sc(C(=O)NC3CC3)c(NC(C)=O)c2c(C)c1Cl 653709020 KEHWXIAJBMIJGT-UHFFFAOYSA-N 353.831 3.117 0 1 FGAF CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526464 TXPRXPQFFIMGDF-ZSEKCTLFSA-N 374.433 3.032 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC[C@@H]4CO4)cc1)[C@@H](C2)C3=O 587452529 DQVBWCDGLBDNET-LLGFUMIMSA-N 352.386 3.136 0 1 FGAF COc1cc(-c2nc3ncc[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 587143381 FGXWDCDKIZJOGZ-UHFFFAOYSA-N 364.336 3.484 0 1 FGAF Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3ccc(F)c(Cl)c23)cn1 587632313 UEQPOVXIZSRODT-UHFFFAOYSA-N 357.776 3.325 0 1 FGAF C[C@@H]1C[C@@]2(CC(=O)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356986 LTODEWMPCSQKBY-RTXGADQUSA-N 356.349 3.355 0 1 FGAF COc1ccc(OC)c(-c2nc3c(Br)ccnc3[nH]2)c1OC 587795310 NQGSVFOHQGRQFT-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2c1 586924542 BMKLZPRCMIITSE-UHFFFAOYSA-N 364.810 3.073 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254833 QMQFVSJSIXMUKK-UHFFFAOYSA-N 373.416 3.205 0 1 FGAF CC[C@]1([C@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596445 VRAZCDSQTDYXLV-ADYAMRHXSA-N 356.374 3.312 0 1 FGAF COc1cncc(N)c1-c1nc2c(F)c(F)c(Br)cc2[nH]1 587252234 AYQUIHHYAHVHPT-UHFFFAOYSA-N 355.142 3.256 0 1 FGAF Nc1c(-c2nc3ccccc3s2)c(O)cn1NC(=O)c1cccs1 958026461 JADRDIAXUPJXTB-UHFFFAOYSA-N 356.432 3.498 0 1 FGAF CCOCC(=O)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 12303819 JUZBZNZSJKVQHW-SFHVURJKSA-N 364.917 3.437 0 1 FGAF Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCCC(C)C)N(C)[C@@H]31 12509951 DYGXQRQTIDQEEG-ATZDWAIDSA-N 354.498 3.190 0 1 FGAF OC[C@@H](NCCc1ccc(Cl)cc1)c1ccc(O)c2nc(O)ccc12 1857649264 ZYGCRSBMTNWJJQ-MRXNPFEDSA-N 358.825 3.165 0 1 FGAF CCCOc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590184 ADVNCPOVTFGZTP-UHFFFAOYSA-N 371.441 3.282 0 1 FGAF CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(F)c1)CC2 3955941 BAATXHZPYYGLTF-UHFFFAOYSA-N 361.461 3.262 0 1 FGAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4050819 ZEFAKLOGOFOCJS-CCMRYFRJSA-N 366.461 3.302 0 1 FGAF CC(=O)O[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C1CCCCC1 6001948 RCFQFICHXFOPDU-MOPGFXCFSA-N 365.495 3.128 0 1 FGAF NCCCCN(C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 103242137 UFBUAAGSLDNFTI-YADHBBJMSA-N 364.537 3.387 0 1 FGAF CNc1nc2c(N(C)C)nc(C(F)(F)F)nc2n1Cc1ccc(C)cc1 29347149 IAMNRTCUFHVZLG-UHFFFAOYSA-N 364.375 3.310 0 1 FGAF COc1cc([C@H]2CN=C(c3ccc(N(C)C)cc3)O2)cc(OC)c1OC 27518527 QJYKAMGSDSQWLJ-GOSISDBHSA-N 356.422 3.297 0 1 FGAF O=C1N[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21 29306333 QVEVPLLBXFALKP-LJQANCHMSA-N 355.869 3.337 0 1 FGAF CCCCC[C@H](O)C=C[C@@H](O)[C@H](O)CC=CCC=CCCCC(=O)O 2356587572 PRMWQIVYOYCJQC-IPMKNSEASA-N 354.487 3.353 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@@H]2[C@H](O)C[C@@H]34)C1 2356606830 GRBKKDAJSTUFHP-TYJZXRHRSA-N 359.510 3.050 0 1 FGAF O=C1N(Cc2ccccc2)C[C@@H]2CN(Cc3ccccc3Cl)CCN12 2356688327 WEGHGSVERYHSCG-SFHVURJKSA-N 355.869 3.462 0 1 FGAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3cccs3)n2)=CN1 2356852409 JJOIFHNGILZASM-HNNXBMFYSA-N 356.475 3.020 0 1 FGAF Cc1ccc(CN2CCC[C@@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)cc1 2356865526 LAPADORAQJDPQX-GOSISDBHSA-N 364.473 3.267 0 1 FGAF Cc1ccccc1C1=N[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)ON1C 74373563 HRQZPNAHMPEQIE-HXUWFJFHSA-N 367.405 3.092 0 3 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 210765836 AZTMLZLZHXUEPJ-INIZCTEOSA-N 368.441 3.023 0 1 FGAF COc1ccc(C[C@@H]2c3c(ccc(OC)c3OC)CCN2C)cc1OC 40568213 OGVDKFSBZXJYDD-MRXNPFEDSA-N 357.450 3.493 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(F)c(F)c3)CC2)c1 95571226 PKCLHWKICNLWLM-UHFFFAOYSA-N 362.449 3.496 0 1 FGAF CCO[C@H]1C[C@]2(CC)CCCN3CCC(=O)c4ccccc4N1C(=O)[C@@H]32 141891883 VSONJQXJDWRLPF-ZVDOUQERSA-N 356.466 3.233 0 1 FGAF Oc1c2c(nn1-c1ccc(Cl)cc1)[C@@H]1CN(CC3CC3)CC[C@H]1N=C2 253756735 QCNXINIQJHEAHO-IAGOWNOFSA-N 356.857 3.232 0 1 FGAF COc1cc(O)c([C@]2(O)COc3cc(O)ccc3C2=O)cc1CC=C(C)C 72107777 YKWUEYRKTBAEFM-OAQYLSRUSA-N 370.401 3.078 0 1 FGAF biogenic O=c1c2cc(OCCCN3CCCC3)ccc2nc2n1Cc1ccccc1-2 299831604 QYRYFILGDDFGJJ-UHFFFAOYSA-N 361.445 3.290 0 1 FGAF C[C@@]1(CC(=O)Nc2ncccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587511282 JRRFKXXGKKRYMX-FQEVSTJZSA-N 351.406 3.108 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(N)=O)c2)N1 587751326 XQYILNHABDKBDY-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nc2)N1 587773283 QCDMZTCBMGAMIZ-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF Oc1nc(O)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2n1 587065002 RBAKORCXRHSUEB-UHFFFAOYSA-N 358.741 3.257 0 1 FGAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771671 CHGQPRDBVWOGLI-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(F)c1)[C@@H](C2)C3=O 587429072 SAJNJQQVJNHLAW-MGPUTAFESA-N 355.365 3.369 0 1 FGAF COc1ccc(C=O)c(-c2nc3nccc(Br)c3[nH]2)c1OC 587787158 QCMCPUPZEYHDOX-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ncnc2[nH]1 587033915 CJXNAERAPHLMTA-NSHDSACASA-N 366.450 3.421 0 1 FGAF COc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(Cl)c1O 587046416 STAYONRUXSWYBF-UHFFFAOYSA-N 355.579 3.102 0 1 FGAF NC(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587243931 UKHRPJCXUUQWCZ-UHFFFAOYSA-N 356.695 3.183 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc(Cl)cc3c2OCOC3)N1 962900654 SCPDRARUVKPPBP-HOTGVXAUSA-N 363.772 3.034 0 1 FGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cccc4c[nH]nc34)N12 962662941 JCVCUJJNZOTWPH-SIKLNZKXSA-N 372.428 3.299 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCN3CCC[C@H]32)N1 963188994 UYWJAQVQUXQDHJ-MQIPJXDCSA-N 374.790 3.021 0 1 FGAF O=C1C[C@]2(C=C(CCc3ccccc3)O1)NCCc1c(C(=O)O)cccc12 963135028 VSPFTOOWAZKHTN-QFIPXVFZSA-N 363.413 3.189 0 1 FGAF CCN1c2ncc(COc3ccncc3)cc2C(=O)N(C)c2cccnc21 5842374 LZPSTBKXZZSDCN-UHFFFAOYSA-N 361.405 3.199 0 1 FGAF NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 13757401 KKDBECFBNZZIPX-CQSZACIVSA-N 363.200 3.206 0 1 FGAF Cc1cc(F)ccc1[C@H]1c2ccc3cccnc3c2NS(=O)(=O)N1C 205633577 FTRKAMBMHNUURY-SFHVURJKSA-N 357.410 3.374 0 1 FGAF O=C(NN1C(=O)CS[C@@H]1c1cccc(F)c1)c1nsc2ccccc12 1857765582 OGBBLBGAHCYKEJ-QGZVFWFLSA-N 373.434 3.354 0 1 FGAF CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F 3873315 VEBKSFPYWMOUBR-UHFFFAOYSA-N 354.838 3.197 0 1 FGAF in-vivo C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@H]12 3913411 QPJBHOWYFWNMHQ-KFKAGJAMSA-N 366.461 3.404 0 1 FGAF Cc1noc(C[S@@](=O)C[C@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 58669235 DYTIBVLSVQCIHS-BEWRWRNKSA-N 367.902 3.016 0 1 FGAF O=C(c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26013261 SLGHAIOMADZGCM-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF CN(Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27184918 OPBXODDPFVCESI-QGZVFWFLSA-N 372.852 3.053 0 1 FGAF CC(C)S(=O)(=O)N[C@@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356299265 DEXYXVFAXKLXMM-VIFPVBQESA-N 372.830 3.082 0 1 FGAF C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccccc1Cl 26004921 FVEFNLKTYCLOKS-RTBURBONSA-N 360.816 3.471 0 1 FGAF CCc1oc(C)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26578358 PKBDGUAJCSHDHW-MRXNPFEDSA-N 360.435 3.061 0 1 FGAF O=c1c2cc(F)c(-c3cncnc3)cc2n(C2CC2)c2snc(O)c12 28569992 CBTDHPVEGFXSEZ-UHFFFAOYSA-N 354.366 3.248 0 1 FGAF CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23CN4CCC[C@@]4(C[C@@H]12)C(=O)N3 2356519755 OLTNNHBFPVARTE-ZLGUVYLKSA-N 369.896 3.378 0 1 FGAF NC(=O)c1c(-c2c[nH]c3cc(O)ccc23)ncc2[nH]c3ccc(O)cc3c12 2356856734 SDCNSHOWRBIYAR-UHFFFAOYSA-N 358.357 3.375 0 1 FGAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccncc3)c2)cc1OC 74387480 FSWFBHZTHJIDMW-UHFFFAOYSA-N 366.421 3.336 0 3 FGAF CO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 14947787 UUUXPUGZNDRYSV-CKJXQJPGSA-N 370.401 3.164 0 1 FGAF biogenic COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)ccc1F 71318753 CGXUKSVEFGRUGX-OAHLLOKOSA-N 351.337 3.079 0 1 FGAF C[C@]1([C@@H](O)c2ccc(F)cc2)NC(=S)N(c2ccc(Cl)cc2)C1=O 72177290 CUSNXOCEFDQFNB-WMLDXEAASA-N 364.829 3.193 0 1 FGAF C[C@@H](COC(=O)[C@H](C)c1ccc(C(=O)c2cccs2)cc1)O[N+](=O)[O-] 40974372 SNGYIJXVPYURDI-NWDGAFQWSA-N 363.391 3.223 0 1 FGAF O=S(=O)(Nc1ccc(C(F)(F)F)c2cccnc12)c1ccccn1 141818213 IZBAOKILOVGYBG-UHFFFAOYSA-N 353.325 3.449 0 1 FGAF COCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 82152953 ZRSKQCSBUNYMCR-UHFFFAOYSA-N 372.444 3.213 0 1 FGAF Cc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1F 95565204 MXYYQEYEXWHTOT-UHFFFAOYSA-N 364.779 3.302 0 1 FGAF c1cncc(-c2cccn3nc(Cc4ccc(N5CCOCC5)cc4)nc23)c1 96169536 XXGDPTLSJHRUQZ-UHFFFAOYSA-N 371.444 3.219 0 1 FGAF COc1cc(/C=C\C(=O)OCCCc2ccc(O)c(OC)c2)ccc1O 95910545 YKUYJFZWORZCOC-YFHOEESVSA-N 358.390 3.304 0 1 FGAF biogenic,in-vitro CCN(CC)CCO[C@H]1CC[C@H]([C@H]2CC[C@](O)(CC(=O)O)CC2)CC1 253690911 OBCATBMPBPNOEP-YKVODEJQSA-N 355.519 3.300 0 1 FGAF CN(C)c1cc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)ccn1 299850980 RDZZSHUQRUZTIR-OAHLLOKOSA-N 354.454 3.034 0 1 FGAF COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 587868652 OAARTNBUSMKJAI-UHFFFAOYSA-N 350.300 3.365 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2ccnc(Br)c2[nH]1 586922850 TVJGRBDINISKQS-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF COc1cc2c3c(c1)OC1(C[C@@H]4C[C@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435801 KLEOQAYOXRYOIR-CXILFBOISA-N 371.433 3.353 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc1OC2=O 587612119 UFMDTHMFGCGZSS-XMSQKQJNSA-N 374.348 3.254 0 1 FGAF COc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587227142 ZUEVYJGCYKCHFL-UHFFFAOYSA-N 357.385 3.281 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCC(O)CC3)cc1)O2 587393118 GFUVBRCFUDXUPC-FQEVSTJZSA-N 352.434 3.245 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587816611 BDRKOWAQWRJKSK-YCELRVBUSA-N 368.246 3.276 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587450019 CORWJMGIIQUYRT-JSKPFOEOSA-N 368.385 3.398 0 1 FGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1COc2ccccc21 587276963 VRFKHSCAIIAOHQ-NSHDSACASA-N 374.190 3.442 0 1 FGAF COc1cc2c(cc1OC)[C@@](C)(Cn1nnc3ccccc31)N(C)[C@H](C)C2 962632046 OKAQTDUZPBAJMO-SPLOXXLWSA-N 366.465 3.240 0 1 FGAF CN1Cc2c(C3=C[C@@H](CO)NCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772571464 QGOGBUBLVRJFMI-AWEZNQCLSA-N 364.424 3.056 0 1 FGAF Cc1cc2c(cc1Cl)N(Cc1cn(Cc3ccccc3)nn1)C(=O)CO2 1772594292 SYDXVJZANRJBSA-UHFFFAOYSA-N 368.824 3.214 0 1 FGAF C[C@H]1c2ccc3c4ccccc4n(C)c3c2CCN1Cc1cnc(N)nc1N 13520560 KZNVWZDVHNNDIM-ZDUSSCGKSA-N 372.476 3.405 0 1 FGAF CC(=O)Nc1cccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 13677153 LSXPKINDPYMVDL-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 13731507 PFTMYQJEHXGQGU-UHFFFAOYSA-N 354.425 3.150 0 1 FGAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 169686922 RDQBONJTCROCKO-HUUCEWRRSA-N 374.828 3.239 0 1 FGAF CCc1nn(Cc2ccc(NC(=O)C(C)C)cc2)c(CC)c1CC(=O)O 168892506 NYFATVHCBIDEIL-UHFFFAOYSA-N 357.454 3.278 0 1 FGAF CCOc1ccc(Nc2nn3c(=O)cc(C(F)(F)F)nc3s2)cc1 1857774869 KLZTXKRHTGXSOD-UHFFFAOYSA-N 356.329 3.312 0 1 FGAF O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 627298 WIEYNARULJLYQD-LSDHHAIUSA-N 370.405 3.039 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1 3956293 JWSLBKYHAJZLFW-UHFFFAOYSA-N 374.510 3.266 0 1 FGAF CCc1nn([C@@H](CC)C(=O)NCCC(C)C)c(=O)c2cc3oc(C)cc3n12 6821562 IETZCSVMEUKSIN-AWEZNQCLSA-N 372.469 3.226 0 1 FGAF COc1cc(-c2cc(-c3ccc4c(c3)OCO4)[nH]n2)cc(OC)c1OC 28468085 DGNHCFDJPQYREC-UHFFFAOYSA-N 354.362 3.498 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)C2=C1[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H]1C2 2356484735 GDSQXEJVFDDBEU-XKRFDYNISA-N 350.455 3.003 0 1 FGAF CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)C1 73159738 HHMRQGVBIJKQJL-SSDOTTSWSA-N 352.225 3.063 0 1 FGAF CC[C@@H](C)O[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272646 NJTPFBVLRXJXJH-WBMJQRKESA-N 366.849 3.233 0 1 FGAF Cn1nc(-c2ccc(OCCCN3CCCC3)cc2)c2ccccc2c1=O 72127509 JOYSLGOQDKSDOB-UHFFFAOYSA-N 363.461 3.465 0 1 FGAF COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2=O 14447711 NDCKQHZMIZHJRH-QLMNROTDSA-N 370.401 3.137 0 1 FGAF biogenic COc1ccc(-c2nc(N3CCN(C)CC3)nc3ccccc23)c(OC)c1 40877695 SHPSKYQBUNZZGG-UHFFFAOYSA-N 364.449 3.066 0 1 FGAF CNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(F)c3)c2)n1 89469237 VDWPXFPSVPNNHO-UHFFFAOYSA-N 357.364 3.030 0 1 FGAF CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl 95894428 FPDNDFIICFJGNT-OKZBNKHCSA-N 357.841 3.151 0 1 FGAF CCCNC(=O)CSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261169649 SPZZQXFLVUPSCH-YTBYQWGFSA-N 369.527 3.241 0 1 FGAF COc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430242 PVTAUAZBRFOCTD-GOSISDBHSA-N 351.402 3.289 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093562 PDMQAQMRUFGBFK-QWRGUYRKSA-N 361.389 3.259 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1 587223254 BAFIBSDTZFPJAJ-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Cl)nc4[nH]3)cc12 587039363 XEXXXCRQBPASJE-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF COC(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596084 ULAAMUWLIFGJQW-YLJYHZDGSA-N 354.358 3.066 0 1 FGAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587395820 UJJDXRKZFMNLDB-FXAWDEMLSA-N 354.406 3.043 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1cnccn1)(c1ccccc1)[C@@H](C2)C3=O 587435243 DYMLWEVPAGYEOD-AVRDEDQJSA-N 358.397 3.371 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442113 JWQNCBTVWBJTED-YCRPNKLZSA-N 354.402 3.461 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(Cc3cccc(Cl)c3C2)N1 963227146 MOKQHJDYEQBGEZ-FPOVZHCZSA-N 364.832 3.481 0 1 FGAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cccnc1N1CCOCC1 963102403 KCVAOIQFNXKJMH-FXAWDEMLSA-N 353.441 3.167 0 1 FGAF COc1cccc2c1C[C@]1(CO2)NCCc2cnc3c(OC)cccc3c21 963028026 BHXMQZXFZDIMSP-JOCHJYFZSA-N 362.429 3.228 0 1 FGAF CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 5207170 FXSBFPIWUAJKCX-LVYXFOGZSA-N 353.418 3.345 0 1 FGAF COc1ccc(-c2n[nH]cc2CN(Cc2nccn2C)C(C)C)cc1F 13636673 MMYDBGASTQDYPW-UHFFFAOYSA-N 357.433 3.369 0 3 FGAF Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2c1NCCC2 13815908 LVMYSKCLJJEMTG-UHFFFAOYSA-N 371.384 3.447 0 1 FGAF CC(C)c1ccc(NC(=O)c2cc(N3Cc4cnc(N)nc4C3)ccn2)cc1 169710079 YOQLOLVNZFYKFH-UHFFFAOYSA-N 374.448 3.350 0 1 FGAF CC1(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)COC1 167240541 CPTIGQWWMQQHFC-UHFFFAOYSA-N 365.433 3.001 0 1 FGAF Cc1cccc(Cn2cc(COC(=O)N(C)Cc3ccccc3)nn2)c1 203462392 UJRJODMLLGDGMU-UHFFFAOYSA-N 350.422 3.403 0 3 FGAF c1ccc2c(c1)OCC[C@@H]2Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857652326 XLKANUGVGKJAFP-OAHLLOKOSA-N 358.405 3.297 0 1 FGAF CC[C@@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@@H]13 2356363181 JMPUQJQXECRLKY-USAYUHFUSA-N 367.489 3.350 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 6385393 ZQKMMJNODQBEMI-UHFFFAOYSA-N 368.481 3.101 0 1 FGAF Cc1ccc(-n2cnc3c(sc4ncc5c(c43)NCCO5)c2=O)cc1 28827153 ATPSAOLGMWJQNL-UHFFFAOYSA-N 350.403 3.108 0 1 FGAF Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21 27309401 XOVPCPRZRHQFBI-UHFFFAOYSA-N 371.396 3.166 0 1 FGAF O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(c2c1)CCNC3=O 28820108 GIOPQNPYHBOBJK-UHFFFAOYSA-N 363.461 3.152 0 1 FGAF C[C@H](CCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 26251087 PSYDAFYPUVMSLN-GFCCVEGCSA-N 354.376 3.368 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)C[C@H](O)[C@@H]12 2356574044 KZKYFFVJJQLCMA-UYAKKGRDSA-N 372.505 3.380 0 1 FGAF O=C(NCN1CCC(c2cccc[n+]2[O-])CC1)c1ccc2ccccc2c1 38149977 XZBORRULSIAHDN-UHFFFAOYSA-N 361.445 3.040 0 1 FGAF CC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C)c12 210765787 KCRVWVSAMBFVAA-SNVBAGLBSA-N 352.398 3.107 0 1 FGAF CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 73139430 AQRWIECSMCJORF-UHFFFAOYSA-N 368.528 3.115 0 1 FGAF O=C(N[C@@H](c1nccs1)C1CCNCC1)c1ccc2cnccc2c1 72177696 IVYGVYJVPJSBIE-QGZVFWFLSA-N 352.463 3.162 0 1 FGAF CCNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1 45245944 VIMZQOMKOLTMJN-UHFFFAOYSA-N 357.414 3.448 0 1 FGAF Cn1cc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)n2)cn1 49050351 OXYPWCALLJFVRS-UHFFFAOYSA-N 350.209 3.345 0 1 FGAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82073049 DHMJPZRKLFDQAJ-QGZVFWFLSA-N 355.438 3.171 0 1 FGAF OCCSc1nc2c(Br)cc(Br)cc2[nH]1 136006876 NHDBCLYNAAABIQ-UHFFFAOYSA-N 352.051 3.172 0 1 FGAF NC(=O)c1cccc2nc([C@@H]3CCN(Cc4cccc(Cl)c4)C3)[nH]c12 51048308 JKJAMZXPTXROAK-CYBMUJFWSA-N 354.841 3.305 0 1 FGAF biogenic CCOC(=O)/C=C/c1cc(OC)ccc1OC(=O)c1nc(C)c(C)nc1C 473133727 CHYPPXVTTWYLHF-JXMROGBWSA-N 370.405 3.206 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCCCCC1=O 587872672 QPDHSAINFVUHBU-UHFFFAOYSA-N 359.401 3.131 0 1 FGAF CCOC(=O)[C@H]1Cc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441230 JLALIRDUHGRRHR-YVHKJVDXSA-N 364.397 3.074 0 1 FGAF CC[C@@H]1OCCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907511 AYRGKDZNVXDBFW-KGLIPLIRSA-N 353.426 3.295 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586922671 QZGWADTVJOSESF-UHFFFAOYSA-N 370.409 3.348 0 1 FGAF O=[S@](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)CC1CC1 586959110 LHGNGXKLSBFTAO-QHCPKHFHSA-N 353.316 3.271 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCCOC1 587868225 IRUHWYYJDYNUOZ-LLVKDONJSA-N 355.316 3.039 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587784249 GLYMSMNJASCFOA-MNOVXSKESA-N 373.210 3.011 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587098877 YELFJHADYRHPPA-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF CCOC(=O)[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O 587526213 SGOYCPGDFTUTFA-DYESRHJHSA-N 358.434 3.448 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755459 OMRXWGRFXDCPDN-APPDUMDISA-N 371.294 3.498 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1Cn1cncn1)[C@@H](C2)C3=O 587433558 ZCMDHKAQXHNSHB-IIMJZQEZSA-N 353.422 3.053 0 1 FGAF COc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587775941 VDAMVSNYKGSPHH-CLAHSXSESA-N 352.207 3.010 0 1 FGAF C[C@]1(CCn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581490 LMNRRMFZRZTTFB-FXAWDEMLSA-N 350.374 3.399 0 1 FGAF COc1ccccc1[C@@]1(c2ncccc2C)NCCc2nc3ccccn3c21 962980117 BQXQZEAEPQMAKN-QHCPKHFHSA-N 370.456 3.484 0 1 FGAF C/C=C/CCC(=O)C[C@@H](O)CCO[C@]1(CC/C=C/C)C[C@@H](O)CCO1 1772577923 SRMFPPPFRLKNNH-UQJYPGNUSA-N 354.487 3.293 0 1 FGAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2OC)c1)C(=O)O 12358332 MSVBKZWLLJIWPH-OAHLLOKOSA-N 371.433 3.287 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3c(cc4c(c3OC)OCO4)[C@H](C2)N1C 14822180 CWXDRARLYHCBSJ-HOTGVXAUSA-N 369.417 3.268 0 1 FGAF CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(C)=O)c3)cc21 14954292 URWYCZGOQGNVTP-UHFFFAOYSA-N 364.365 3.078 0 1 FGAF CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)[C@H](O)OC3=O)ccc2O1 1857639523 QCPXFZKWSHOJCI-OAQYLSRUSA-N 366.413 3.367 0 1 FGAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(F)ccc1F)NC(=O)N2 1857759700 YFXPQAVGPYLZAA-CQSZACIVSA-N 350.321 3.215 0 1 FGAF Cc1cc2c(cc(C(=O)O[C@H](C(=O)NCc3ccco3)C(C)C)n2C)o1 4388635 GBCYXBYZCUUYRE-KRWDZBQOSA-N 358.394 3.171 0 3 FGAF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 101361462 QAECXSGXRBCERJ-IJNCGLNKSA-N 362.495 3.133 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3[C@H]4CC[C@@H]3C[C@@H](O)C4)c2c1 101465279 OOOQCFLLXODUKM-QDMKHBRRSA-N 366.465 3.224 0 1 FGAF CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3nn(C)cc32)CC1 26576961 YRASTUQIHBHSPV-UHFFFAOYSA-N 365.268 3.110 0 1 FGAF C/N=c1\c(NS(=O)(=O)c2ccc(Cl)s2)c(O)oc2ccccc12 102559933 KDFVUZANDKKNKH-VBKFSLOCSA-N 370.839 3.185 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)ncc-3c2c1 102342832 RUQLHDSPBUUMJE-OKILXGFUSA-N 352.438 3.055 0 1 FGAF CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)o1 64235597 KTZIEFZENLKSFR-UHFFFAOYSA-N 363.377 3.402 0 1 FGAF O=C(c1ccc(F)cc1)c1c(Br)cc2n1CC[C@H]2C(=O)O 27899551 MFWZDTBBDWCKJY-SNVBAGLBSA-N 352.159 3.193 0 1 FGAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356753524 GMANNNGILPFSTB-VAMGGRTRSA-N 361.530 3.479 0 1 FGAF Brc1ccc(-c2nc(CNCCCn3ccnc3)co2)cc1 72184967 KJESZMBBYHQOTO-UHFFFAOYSA-N 361.243 3.481 0 1 FGAF COC(=O)[C@H]1[C@@H](c2cccc(/C=C/Br)c2)C[C@@H]2CC[C@H]1N2 36093267 HRJQWACHSNEZEE-OIRGRMKOSA-N 350.256 3.449 0 1 FGAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(F)c4)cc32)N=C1N 95603891 JFRILJOYQQJENP-FQEVSTJZSA-N 353.397 3.036 0 1 FGAF COc1ccc2c(c1)C(OC(C)C)=C(C(=O)NCc1ccccc1)[S@@]2=O 253690878 NSHBKHDATKZYGW-AREMUKBSSA-N 371.458 3.226 0 1 FGAF C[C@@H]1C[C@H]2O[C@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 37538423 ZGZOBNGYHLFQFW-TURNYIBQSA-N 368.813 3.140 0 1 FGAF biogenic O=C(O)CCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 473111473 ZTEQTLVQORDSQN-UHFFFAOYSA-N 356.330 3.115 0 1 FGAF Cc1ccc(C)c2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202424 HZBQNXISSRQCLE-OAHLLOKOSA-N 367.405 3.102 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154018 BNHLUUXRKASZEO-ZMZPIMSZSA-N 359.788 3.484 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587383381 SKIYFMAKTZPHGJ-KRWDZBQOSA-N 368.380 3.167 0 1 FGAF CC1=C(c2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)NNC(=O)C1 586881361 WYMJRXSPOVSKLQ-CLFYSBASSA-N 374.400 3.083 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccnc1)CC2=O 587471005 PVAASOJQWVHUPB-FQEVSTJZSA-N 354.406 3.492 0 1 FGAF Cc1c(F)cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1F 587134826 NVVQQCLNPBIUTM-UHFFFAOYSA-N 351.378 3.067 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587398737 HILVJTWUKDWKPM-SPLOXXLWSA-N 351.402 3.488 0 1 FGAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1F 587637845 PGKYJKOYTOELIY-UHFFFAOYSA-N 355.321 3.413 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587738530 PCLWXTQSDQBSRG-NXSYQRQQSA-N 356.214 3.393 0 1 FGAF COc1cc2c3c(c1)O[C@](CNC(C)C)(c1ccccc1OC)[C@@H](C2)C3=O 587428908 NDJMWNZNWIMUBQ-HTAPYJJXSA-N 367.445 3.345 0 1 FGAF O=C(Nc1nc(-c2ccccn2)cs1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 12547099 BUBJCZANUHVOHM-NFAYLAGKSA-N 355.463 3.475 0 1 FGAF Cc1noc(NS(=O)(=O)c2cccc3c(C(C)(C)O)cccc23)c1C 13741062 FPDLWGFTGWKPLJ-UHFFFAOYSA-N 360.435 3.473 0 1 FGAF O=C(O)c1cc(CCCNS(=O)(=O)c2ccccc2)c2cccccc1-2 13826263 QTUXPQJBJVLXPG-UHFFFAOYSA-N 369.442 3.401 0 1 FGAF Cc1cc(Nc2cc(C)on2)nc(Nc2ccc(N3CCOCC3)cc2)n1 203004158 IIVZKWVIVARTJI-UHFFFAOYSA-N 366.425 3.405 0 1 FGAF COCCOc1n[nH]c2c(F)c(NC(=O)N[C@H](C)c3ccccc3)ncc12 209390495 GGQWRWIGWGFTMD-LLVKDONJSA-N 373.388 3.005 0 1 FGAF Cc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 1857641770 DQSXWFXXXZOVAP-UHFFFAOYSA-N 352.463 3.438 0 1 FGAF CC1(C)O[C@@H]2Oc3ccc4c(c3[C@@H]2[C@@H]1O)O[C@@H](c1ccccc1)CC4=O 2356398790 CHMTWRQIIYWNMW-BEKAIBRUSA-N 352.386 3.365 0 1 FGAF CC[C@H]1C[C@H](OC(C)C)N(C)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] 103215067 WOXIFYBESQTQTO-ZFWWWQNUSA-N 368.865 3.383 0 1 FGAF CCCC[C@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27712056 IJNLAPNMNMHBJS-UGLIKIROSA-N 369.505 3.452 0 1 FGAF OCCN1CCN(C2=Nc3ccc(F)cc3CC=C2c2ccccc2)CC1 53064449 KQTADJZWPGWGHA-UHFFFAOYSA-N 365.452 3.105 0 1 FGAF CC(C)O[C@@H]1CCC([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103216517 QEOOEUBQISOEHR-OAHLLOKOSA-N 354.838 3.089 0 1 FGAF COc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1OC 28457007 JCEYPRGNFRAZQJ-UHFFFAOYSA-N 371.389 3.442 0 1 FGAF COc1ccc(C(O)(c2ccc(OC)cc2)[C@H]2CC3CCN2CC3)cc1 29545562 JGEWXQANFULTPF-OAQYLSRUSA-N 353.462 3.424 0 1 FGAF CCCC(C)(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 61906421 QEVYGZKLNIIBTM-FQEVSTJZSA-N 360.454 3.214 0 3 FGAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C)C[C@@H](O)[C@@H](OC)CC1=O 2356561567 AEWXJAHAEHUTIT-UWVAXJGDSA-N 352.471 3.358 0 1 FGAF Cc1c(Cl)c(O)c2c(c1Cl)O[C@H]1C=C(O)C=C(C(=O)O)[C@H]1C2=O 2356789891 DVRLCCLBMCXAFM-JGVFFNPUSA-N 357.145 3.034 0 1 FGAF Cc1n[nH]c2ccc(-c3nnc(NC[C@H](N)Cc4ccccc4)s3)cc12 49066469 YMBNZUUECWJCDF-OAHLLOKOSA-N 364.478 3.372 0 1 FGAF COc1cc(O)c2c(=O)cc(CCOC(=O)Nc3ccccc3)[nH]c2c1 45357410 YCZTYMGAKZJUDW-UHFFFAOYSA-N 354.362 3.034 0 1 FGAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)CC1 25232658 MSCTWVKFALLTQY-CVEARBPZSA-N 369.534 3.090 0 1 FGAF biogenic CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(O[C@@H]3CCOC3)cn2)cc1 96167485 HAMNIEOBTDALEA-FOIQADDNSA-N 370.449 3.499 0 1 FGAF CN(C)S(=O)(=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 95594286 DOPBPZNHCPQZBD-UHFFFAOYSA-N 370.793 3.009 0 1 FGAF COc1ccc(-c2cccc([C@@H]3C[C@H]3[C@]3(C)CC(=O)N(C)C(N)=N3)c2)cc1 96933653 GZARJCKECXNHAL-JQVVWYNYSA-N 363.461 3.401 0 1 FGAF CN1C[C@@H]2C[C@H]1CN2CCCCNC(=O)c1ccc(-c2ccccc2)cc1 299854544 ADFFPFYDRNHBIT-VXKWHMMOSA-N 363.505 3.252 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCNC(=O)OCc1ccccc1)O2 587386456 JEXHYHSXIVJGFD-HNNXBMFYSA-N 354.406 3.228 0 1 FGAF CCOC(=O)C[C@]1([C@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587530414 BQZSKSUAUIRPCH-NQIIRXRSSA-N 358.434 3.402 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586898162 MTHGUJCMEXMKQK-UHFFFAOYSA-N 371.462 3.065 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1Br 587372661 MPJBSYIKJDCWHS-AWEZNQCLSA-N 363.211 3.450 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC(C)(C)C 587870178 XIZRDJQIZPWFCV-UHFFFAOYSA-N 358.389 3.494 0 1 FGAF O=C(c1cocn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657155 XFWOKLLEIMMVBA-UHFFFAOYSA-N 353.284 3.018 0 1 FGAF COC(=O)COc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399724 JQMGGNMJYJRNEF-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N)cc1 587868053 TYNLCZDNGDGPBS-UHFFFAOYSA-N 362.311 3.243 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)c[nH]1 587253733 CZJVSUVCUMWUQP-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586950753 LEECWQJEFCIXCM-UHFFFAOYSA-N 359.407 3.109 0 1 FGAF COc1cccc(Cc2nc3cc(I)cnc3[nH]2)c1 587931202 MQHRMWGSFMVURJ-UHFFFAOYSA-N 365.174 3.162 0 1 FGAF COc1ccc([C@@H]2C=C(c3ccc(C)cc3)NN2C(=O)CCC(=O)O)cc1 957698211 NNUFYJZFXPZNME-IBGZPJMESA-N 366.417 3.297 0 1 FGAF Cc1cc(F)c([C@@]2(C)c3nn(C)cc3CCN2C)cc1Br 963955866 SMPZWCLJOPMJIZ-INIZCTEOSA-N 352.251 3.382 0 1 FGAF NC(=O)c1cn(-c2cccc(F)c2)c2cc(-c3ccncc3)ccc2c1=O 5933082 VSPVJRPVTZIJPF-UHFFFAOYSA-N 359.360 3.291 0 1 FGAF O=C(CCc1nnc(COc2ccccc2)o1)NC1(c2ccccc2)CC1 12707017 OTXRUKQCUONAIZ-UHFFFAOYSA-N 363.417 3.387 0 3 FGAF CS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 13470495 JGBCHSGVRWYCES-WQLSENKSSA-N 371.443 3.105 0 1 FGAF Cc1ccccc1NC(=O)NCCCN1CCN(C2CCCCC2)CC1 19371854 ATYDHBJOBPJDKR-UHFFFAOYSA-N 358.530 3.457 0 3 FGAF NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccc(Cl)cc1Cl 169342588 CQNCHLJHIGRPDA-UHFFFAOYSA-N 366.233 3.255 0 1 FGAF in-vitro CCOC(=O)[C@H](C)N[P@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857573861 YGSLLMNEAQXTQJ-SGLBRMELSA-N 355.371 3.128 0 1 FGAF CCOCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 2069776 CJDJQIUQZHXLDF-UHFFFAOYSA-N 360.841 3.288 0 3 FGAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCCC3)c(C)c2c1 2459844 PVWRXYYWONCGSL-UHFFFAOYSA-N 364.467 3.008 0 1 FGAF CCOc1ccc(CC/N=c2/c(-c3ccccc3)c(O)c2=O)cc1OCC 103535519 UCHLREOLILXLSB-ATJXCDBQSA-N 365.429 3.236 0 1 FGAF COC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccccc1 102646534 HSRIITUXGBDJPO-NZCCEVMUSA-N 368.433 3.321 0 1 FGAF C[C@H]1[C@@H]2Cc3ccc(N4CCN(C)CC4)cc3[C@@]1(C)CCN2CC1CC1 29548656 DQRUYAPFAYHFFI-RTFZILSDSA-N 353.554 3.373 0 1 FGAF O=C1c2ccccc2[C@@](O)(c2ccc3cn[nH]c3c2)N1Cc1ccccc1 116257287 OYISWWNIAMMJSR-QFIPXVFZSA-N 355.397 3.412 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1cccnc1 25427690 KOWJWYRAMHHKAR-QUCCMNQESA-N 365.477 3.276 0 1 FGAF biogenic O=C(O)CCN1CCC(=C2c3cc(F)ccc3OCc3cccnc32)CC1 27558281 MWPBNQANOMLLRO-UHFFFAOYSA-N 368.408 3.486 0 1 FGAF CC=C(C)C(=O)OCc1c2c(c(OC)c3cccc(C)c13)OC(=O)[C@@]2(C)O 2356395330 PHJXJLUAXVXKCQ-NRFANRHFSA-N 370.401 3.293 0 1 FGAF O=C(NCCN1CCN([C@H]2CCCc3ccccc32)CC1)c1ccccc1 22443647 GFORNYWGPFXWHV-QFIPXVFZSA-N 363.505 3.112 0 1 FGAF O=c1[nH]c2ccc(N3CCCC3)nc2nc1CSCc1ccccc1 37492461 NTJOFEDUSLUMFR-UHFFFAOYSA-N 352.463 3.352 0 1 FGAF Cn1ccnc1Sc1cc(C(=O)Nc2cccc(CN)c2)c(N)cc1F 45358781 DCAUACBDISSENL-UHFFFAOYSA-N 371.441 3.004 0 1 FGAF COc1ccc(Nc2nccn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 42923283 OWMQCDOIWCGTGY-SECBINFHSA-N 354.332 3.380 0 1 FGAF COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1 45339472 HINKMWDUWUDTBD-UHFFFAOYSA-N 365.437 3.027 0 1 FGAF COc1ccc(C(=O)c2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1O 95591789 UTLIIGYUJICKRH-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF O=C(OCCF)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2 261178371 VLIANQRCIMWNHF-XQLPTFJDSA-N 356.235 3.186 0 1 FGAF Cc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 51076677 BVQVGIVYSVLQRJ-MRXNPFEDSA-N 369.490 3.264 0 1 FGAF biogenic CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCC[C@H](O)CO)N[C@H]1C 85996530 MJPZKLRGLLDPRZ-FRYIKTPZSA-N 357.535 3.313 0 1 FGAF biogenic CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N[C@H](CO)CC(C)C 36367714 BUWYGYAYWANLSX-HOJAQTOUSA-N 374.525 3.088 0 1 FGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc3c(c1)OCO3)O2 587388058 VFFPNOYDHYCPRU-IRUYWQDXSA-N 366.417 3.242 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccccc12 587596225 PWDRONMYPGYQDT-DYESRHJHSA-N 359.337 3.201 0 1 FGAF COc1ccccc1CC(=O)c1nc2nc(C)c(Br)cc2[nH]1 587931114 QTFVKOOCQUGNPA-UHFFFAOYSA-N 360.211 3.463 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccnn3c2)N1 587790531 CKDCFXBMVFTLIX-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF Oc1nncc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165752 CADJCXMCJUVDHA-UHFFFAOYSA-N 366.381 3.165 0 1 FGAF COc1cccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259661 KDSCTVVPCPEIME-HNNXBMFYSA-N 368.437 3.278 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)nc1F)[C@@H](C2)C3=O 587427413 IBCWPPBAPURTLX-IFXJQAMLSA-N 354.381 3.318 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)O)c4ccccc14)[C@@H](C2)C3=O 587431893 RJLKDPXGFJQTAP-LHSJRXKWSA-N 363.369 3.223 0 1 FGAF Cc1cc2c(cc1O)[C@]1(C[C@@H](C)Sc3sccc31)N[C@H](C(=O)O)C2 963465299 BKAVTZSOUCLMFE-FWVNDXEPSA-N 361.488 3.489 0 1 FGAF NC(=O)c1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)s1 963002608 COSNNKXPASPNOP-KRWDZBQOSA-N 355.488 3.451 0 1 FGAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccc(F)cc2)cc1 169693070 ZGOWFDNGFMMSOX-MSOLQXFVSA-N 370.380 3.419 0 1 FGAF O=C1N=C2/C(=C/c3ccccc3F)CNC[C@@H]2[C@H](c2ccccc2F)N1 169730017 BFTGTSCUZOSWSA-GTHKJMCUSA-N 353.372 3.473 0 1 FGAF OCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)s1 1857553337 MFGCDYMQWCSWRD-HNNXBMFYSA-N 372.519 3.494 0 1 FGAF CC1(C)ON=C([C@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)O1 101899753 OJLMJPYXQRSQFM-QGZVFWFLSA-N 356.397 3.397 0 1 FGAF CC[C@H](C)NC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(F)ccc1C 103172853 FBNIYTOAWGHEPJ-NSHDSACASA-N 358.417 3.322 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1ccc(F)cc1F 101911216 UIYLQKIOJMQJAC-UHFFFAOYSA-N 354.316 3.159 0 1 FGAF CCCn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643172 RTTZOQDXXOWLHF-HUUCEWRRSA-N 354.450 3.194 0 1 FGAF O=P(O)(O)O[C@H]1C=C(c2ccccc2F)Nc2cc3c(cc21)OCO3 101330029 SPZGQUBPDNGBCS-AWEZNQCLSA-N 365.253 3.171 0 1 FGAF Cc1cccc(-c2nc(Cn3c(C)nc4onc(C)c4c3=O)c(C)o2)c1 21088875 SCEXENFYJOXXOL-UHFFFAOYSA-N 350.378 3.321 0 1 FGAF CC(C)N(CC[C@]1(c2ccccc2)C(=O)NCN2CCCC[C@@H]21)C(C)C 28265182 ZURWTJLUKIDQPW-IFMALSPDSA-N 357.542 3.375 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O 29564616 YGMHSCSRQGACKW-OXQOHEQNSA-N 355.434 3.131 0 1 FGAF C[C@@H]1C(=O)[C@@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@H]1O[C@H]3C[C@@H]24 2356444106 KMPKDIXKHRSLMM-IWQHSJIQSA-N 357.494 3.201 0 1 FGAF CCOC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@]34C 2356519555 HORWUZVIXQFJDV-LQBJZNAISA-N 371.477 3.259 0 1 FGAF COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1 29135633 ISKNGKGHADBDHL-UHFFFAOYSA-N 362.477 3.478 0 1 FGAF NCc1ccc(-c2cccc(Cc3cc(=O)n(O)c4ncccc34)c2)cc1 64527349 HCICIXKQLIBLJU-UHFFFAOYSA-N 357.413 3.350 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)OC 36441719 NVANLIMPYROZFD-QTZIBGTOSA-N 370.530 3.355 0 1 FGAF CN(C)[C@@H](Cc1ccccc1)c1ncc(C(=O)c2ccccc2NC=O)o1 13311507 OUPZTQXGGFQPRA-SFHVURJKSA-N 363.417 3.319 0 1 FGAF biogenic CCc1nnc(SCc2ccccc2)n1N1C(=O)c2ccccc2C1=O 84708925 BHCFZIDULLTHNV-UHFFFAOYSA-N 364.430 3.065 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H](C)N2CCCC[C@@H]2C1 40631415 GOIFKVIKBPQYGJ-YNEHKIRRSA-N 351.878 3.066 0 1 FGAF C[C@]12CC[C@H](O)CC1=CC[C@H]1C(=O)O[C@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34 40918811 ZCEYOMXMDDYIQP-TYINLYHXSA-N 360.450 3.082 0 1 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3N=CNC(=O)[C@H]32)cc1 195397190 YCQVEVOYEWUITM-WOIUINJBSA-N 358.397 3.473 0 1 FGAF CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 95598015 WEVVZJGQIWKFOJ-UHFFFAOYSA-N 363.457 3.497 0 1 FGAF CSC1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@H]2O 96938427 GTYISUZLMHTDOM-LRDDRELGSA-N 352.481 3.421 0 1 FGAF CCN(CC)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(C)cc(C)nn12 96168027 AHZVLZZEKQYWAC-UHFFFAOYSA-N 352.438 3.130 0 1 FGAF Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cnc1N(C)CCO 96270032 LOVJGXUULPFMFC-UHFFFAOYSA-N 371.481 3.134 0 1 FGAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254201026 SLEIUYBAUZPTKQ-HDDYJBANSA-N 350.499 3.293 0 3 FGAF Nc1ncnc2c1O[C@@H](c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CO2 253802991 AOVBNRRYULZZSN-XJKCOSOUSA-N 369.421 3.320 0 1 FGAF O=C(O)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587039033 BRGBMGHCQAFVTP-JKSUJKDBSA-N 357.410 3.347 0 1 FGAF COC(=O)c1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1 587927945 ZHYIKRLZMJPFPR-NSHDSACASA-N 355.394 3.108 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)C)nc2)N1 587754014 ISBZGRWKDXJETD-RFAUZJTJSA-N 365.250 3.068 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1[nH]c(C)c(CCC(=O)O)c1C)[C@@H](C2)C3=O 587440014 YFPWIKGMMLTQHQ-XOBRGWDASA-N 355.390 3.146 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2)N1 587828338 OTMYEGZDPIANTH-DYZYQPBXSA-N 364.214 3.451 0 1 FGAF COc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276688 RMVATACXDVMBEX-UHFFFAOYSA-N 362.179 3.322 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587058009 BBBKBZXVULPGAH-AWEZNQCLSA-N 363.870 3.252 0 1 FGAF O=C(c1cncs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656651 HYAVDIANYUAIPX-UHFFFAOYSA-N 369.352 3.487 0 1 FGAF O=C1C[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CN1 587105661 DCISRUBHYMMZGO-QHCPKHFHSA-N 354.409 3.441 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc2c1 587787376 VDXDSJUZHXXJBL-CABCVRRESA-N 350.374 3.293 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1 586941028 NARAOGGNPBGTNZ-SREVYHEPSA-N 362.842 3.010 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)O)(c1ccc(O)cc1)CC2=O 587486017 WJLHDFJBQJCNCO-HXUWFJFHSA-N 356.374 3.386 0 1 FGAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCO[C@H]1c1ccnn1C)N(C)[C@@H](C)C2 962640138 YYGZKHAZVUCCTH-LUNSWOAPSA-N 371.481 3.133 0 1 FGAF Nc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 1772579450 UMNVUXFHBUOTGS-UHFFFAOYSA-N 361.405 3.238 0 1 FGAF CCC(=O)Oc1cc(O)c2c(=O)c(Cc3ccc(OC)cc3)coc2c1 1772612262 XOEYWMZTYMWXRZ-UHFFFAOYSA-N 354.358 3.413 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H]3CCC[C@H]3c3ccccc3)ncc12 1772612985 HOCDXOLRPKMQJC-ZFWWWQNUSA-N 351.410 3.424 0 1 FGAF COc1cc2c(cc1O)CCN(C)[C@@H]2CCc1cc(O)c(OC)c(OC)c1 5966875 GFNRNKOPJMPASU-MRXNPFEDSA-N 373.449 3.285 0 1 FGAF biogenic COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccoc2)cc1 12575096 GLGRXUHPTLHIGL-UHFFFAOYSA-N 356.466 3.315 0 1 FGAF O=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 13449243 FACSGCXGQDFEDR-AWEZNQCLSA-N 369.292 3.192 0 1 FGAF CCCCN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 15779713 PPSAYVYMAQESDU-UHFFFAOYSA-N 369.488 3.101 0 1 FGAF CCOC(=O)N1CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 169324757 ZYKYBUBOZMCHOX-UHFFFAOYSA-N 364.873 3.452 0 1 FGAF COc1ccc(-c2nnc3sc(-c4ccc(OC)c(N)c4)nn23)cc1 1857630946 MPBUPVNOCKXMNO-UHFFFAOYSA-N 353.407 3.119 0 1 FGAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1 220137634 WGHDYOHZXVHSJS-HOTGVXAUSA-N 359.437 3.210 0 1 FGAF CN(C)c1ccc(-c2cc3nccnc3c(CC[C@H]3CCCNC3)n2)cn1 224790003 KSJOLPSCOYLXKR-OAHLLOKOSA-N 362.481 3.085 0 1 FGAF Cc1cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c2c1 28950585 CBSBCEBWZIDXNQ-UHFFFAOYSA-N 359.393 3.247 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)Oc1ccccc1 29205998 RLATZNIHDCUZGM-BTHPGYMESA-N 365.429 3.300 0 1 FGAF COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1 28524395 LWXVHHXBXDVAJJ-INIZCTEOSA-N 370.474 3.181 0 1 FGAF CCN(CC)CC[C@@H]1CN(C(=O)c2cccs2)CC[C@H]1CC(=O)O 2356443774 YMJWOQAFINRAFX-LSDHHAIUSA-N 352.500 3.033 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@H]1O 2356515173 DEQPIGLSNWHDFR-ZMMAXQRCSA-N 358.475 3.011 0 1 FGAF Nc1cc(F)ccc1NC(=O)CCCCCNC(=O)c1ccc(F)cc1 117584866 BXQJJRXQGFUPHO-UHFFFAOYSA-N 361.392 3.476 0 1 FGAF O=C(CN1CCCC1)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902591 LGKPZMXPVFODRQ-UHFFFAOYSA-N 357.413 3.481 0 1 FGAF Cc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 22937884 PIFJXKYJXNZXRB-UNMCSNQZSA-N 354.469 3.321 0 1 FGAF CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCNCC3)c(=S)o2)cc1 64448669 CMKOHGLDOQPEFV-OAHLLOKOSA-N 360.527 3.419 0 1 FGAF CO[C@@H]1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1 84757368 AQFKRSCFWQXDAD-IBGZPJMESA-N 359.491 3.277 0 1 FGAF CCCc1c(C)cccc1C(=O)N[C@]1(C(=O)O)Cc2ccc(F)cc2C1 143356226 JGXLGRFTGRPCTJ-OAQYLSRUSA-N 355.409 3.439 0 1 FGAF CCOC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C 95591825 OMYIHNIXCBBVJY-YGRLFVJLSA-N 367.446 3.383 0 1 FGAF COc1cc(C(=O)c2nc(-c3ccc(F)cc3)c[nH]2)cc(OC)c1OC 95581732 OQCFRIDSDVEYEK-UHFFFAOYSA-N 356.353 3.473 0 1 FGAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1ncc2c3ccccc3nc-2c1O 299872701 PBQMNORLDQPJJW-DVOMOZLQSA-N 352.438 3.183 0 1 FGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587938642 XZGRFQQXFASGKK-XIKOKIGWSA-N 353.422 3.110 0 1 FGAF CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(F)(F)F)n1 587419591 CZMPHBOJXGVNRQ-MEBBXXQBSA-N 352.312 3.419 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(OC(C)C)cc2[nH]1 587230968 KSCMEHIGUQMFKT-JKSUJKDBSA-N 359.470 3.387 0 1 FGAF COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587426095 KRRUXGAJOPQEDZ-MGPUTAFESA-N 374.339 3.179 0 1 FGAF CN=c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587742633 LEXLLUMITCFIIU-JDNHERCYSA-N 350.235 3.070 0 1 FGAF CCOC(=O)[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425671 GEZSEBCIUZWREJ-VLIAUNLRSA-N 356.349 3.040 0 1 FGAF O=C(/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1 587243122 ATUPAIBEHFBICT-HJWRWDBZSA-N 362.433 3.047 0 1 FGAF COCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587798344 UYTRMXWSBQRNEP-GLEZIHRCSA-N 355.207 3.346 0 1 FGAF COC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1 587135362 XVPYLNIWVZTNFL-UHFFFAOYSA-N 357.288 3.257 0 1 FGAF Nc1nc(N)c2nc(CNc3ccc4cc(Cl)ccc4c3)cnc2n1 5933143 UUTWGYHNRRQTDN-UHFFFAOYSA-N 351.801 3.003 0 1 FGAF CN1C(=O)[C@H](NC(=O)c2cc3cccc(Cl)c3[nH]2)Cc2ccccc21 13587916 FPTUMUAOXPDCRC-OAHLLOKOSA-N 353.809 3.139 0 1 FGAF CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2ccc(Cl)cc2)c1 13740740 ZWDTZORUEWRXEV-UHFFFAOYSA-N 356.861 3.138 0 1 FGAF COc1cc(C[C@@H]2NCC[C@@H]3C=C(O)C(O)=C(F)[C@H]23)cc(OC)c1OC 169305880 ZSESSFIOOIMOHZ-WQGACYEGSA-N 365.401 3.044 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(-c2c(F)cccc2F)nn1 203462771 XNEOPJSBHNKYMR-UHFFFAOYSA-N 358.348 3.014 0 3 FGAF C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)c1ncc2c(=N)[nH]c(=N)nc-2[nH]1 1857568616 JZARIFLOTOOZQF-ZDUSSCGKSA-N 371.448 3.061 0 1 FGAF c1ccc(N2CCN=C2c2ccc(C3=NCCN3c3ccccn3)cc2)nc1 1857574126 SGYSXKBMLKPJEL-UHFFFAOYSA-N 368.444 3.010 0 1 FGAF COc1ccc(Cc2cn(CCNC(=O)Nc3ccc(C)cc3)nn2)cc1 1857613903 NDZRZSBLPBZOQE-UHFFFAOYSA-N 365.437 3.008 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(CC)cc2)nc2ccccn12 1857618779 OWLPXSSESAYMIA-UHFFFAOYSA-N 350.422 3.289 0 1 FGAF CC(C)c1cc(=NC2CC2)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857636951 PKYRAZJVPDJVIL-UHFFFAOYSA-N 354.498 3.151 0 1 FGAF COc1ccccc1[C@H]1CC(c2cc3ccccc3oc2=O)=NN1C(C)=O 35950334 NYIVGWHWAOZHME-GOSISDBHSA-N 362.385 3.499 0 1 FGAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1 3814630 UPDJNAHRAKJPOA-UHFFFAOYSA-N 373.381 3.267 0 1 FGAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)[nH]c12 29128222 BOORBPQCSBRNPA-UHFFFAOYSA-N 366.465 3.294 0 1 FGAF COc1ccc(F)cc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 61906789 JABIYAICTGVLHC-UHFFFAOYSA-N 351.381 3.423 0 3 FGAF C[C@@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 36388075 UJFYUCPWQYVCNR-HUUCEWRRSA-N 362.433 3.392 0 3 FGAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cncs3)no2)CC1 73198674 SAIBSDWSVZWXIN-UHFFFAOYSA-N 360.361 3.242 0 1 FGAF CCCSc1nc(NC(C)=O)c(N(CCC)CCC)c(=O)n1CC 73167073 VZHRJRSLVIXPNH-UHFFFAOYSA-N 354.520 3.350 0 1 FGAF Cc1csc(-c2nc(COc3ccc(CCNC(=N)N)cc3)cs2)n1 43122055 VOZCWCXAQHUUCY-UHFFFAOYSA-N 373.507 3.180 0 1 FGAF CCc1nc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cs1 82069827 YKNCGNPPJZJMJG-UHFFFAOYSA-N 357.479 3.262 0 1 FGAF COCCN(C)[C@@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 96171511 XRELUBWLPZIXSQ-NRFANRHFSA-N 363.461 3.032 0 1 FGAF O=C(NCc1ccccc1)N1CCN(c2nsc3ccccc23)CC1 299823513 PVQXZMBDKWLIKA-UHFFFAOYSA-N 352.463 3.328 0 1 FGAF Cc1ccc(S(=O)(=O)Oc2cc(CSc3ccccn3)[nH]n2)cc1 653889475 DOWLBEOMYYHIBJ-UHFFFAOYSA-N 361.448 3.173 0 1 FGAF COc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 653726690 UKYQZIPQRMDPSD-IBGZPJMESA-N 352.434 3.456 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c2c1 587650292 REHSCKFLBRKRRA-UHFFFAOYSA-N 361.394 3.423 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1nc[nH]n1)(c1cccs1)CC2=O 587495340 QAJRFWYEQPSZAL-GOSISDBHSA-N 355.419 3.433 0 1 FGAF COC(=O)c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1 587079530 IWNGTFJSJMTOMV-LBPRGKRZSA-N 369.812 3.122 0 1 FGAF CN=c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587742630 LEXLLUMITCFIIU-FVMDXXJSSA-N 350.235 3.070 0 1 FGAF NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614798 UNMBALCAZUPYPL-QAPCUYQASA-N 367.382 3.256 0 1 FGAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CN1C 587346649 SGIWEWUAHPFWFF-PZJWPPBQSA-N 367.376 3.047 0 1 FGAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 586996656 ITBVERWTBDGEJW-LLVKDONJSA-N 360.211 3.297 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCO3 586984297 PQCRHLVNJHVLQJ-NSHDSACASA-N 360.211 3.297 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCOCC3)c1)O2 587402130 YUJZYJYVERBKSB-NRFANRHFSA-N 352.434 3.294 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(N)=O)N1 587750014 QYZMQPWQXDKUCX-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1Cl)O2 587410675 VYSGFGTZTVRVMI-MRXNPFEDSA-N 365.838 3.341 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccnc1Cl)[C@@H](C2)C3=O 587423299 WMSWWUDDOIXVBK-IVBWXWQKSA-N 370.836 3.462 0 1 FGAF N=C(N)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043151 PLRRNOWNXQPHDM-CQSZACIVSA-N 371.853 3.156 0 1 FGAF COc1cc2c(cc1OC)[C@@](C=C(N)N)(C1CCCCC1)N(C)[C@H](C)C2 962638032 OOGMCNQWSQBHDX-SPLOXXLWSA-N 359.514 3.115 0 1 FGAF COC(=O)c1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)ccn1 962999385 RCVHVMDMVXGVKI-LJQANCHMSA-N 365.458 3.472 0 1 FGAF FC(F)(F)[C@]1(c2ccc3c(c2)CCO3)NCCc2nc3ccccn3c21 962992027 WQUPLFTWXOWATL-GOSISDBHSA-N 359.351 3.221 0 1 FGAF CCN1c2ccc(CNC(=O)C(C)(C)C)cc2N(C)C(=O)c2cccnc21 5842790 FFLOBJBVPWJYSC-UHFFFAOYSA-N 366.465 3.492 0 1 FGAF Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)N(C)C)(C4)C2)C3)cc1 13136106 YMPGALJTIQMYBQ-RGMRCXJASA-N 355.478 3.464 0 1 FGAF Cc1nc(C(F)(F)F)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311420 LSQBAUUNIXTLLU-OHRKOXDQSA-N 360.401 3.140 0 1 FGAF NC(=O)c1c(F)ccc2nc([C@@H]3CCCN(Cc4ccccc4)C3)[nH]c12 1857618460 IAIGAHAVIQMTKW-CQSZACIVSA-N 352.413 3.181 0 1 FGAF Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)N(C)Cc3ccccc3)n12 2947789 FMAKPZHBEXSJGY-MRXNPFEDSA-N 374.444 3.177 0 1 FGAF CCCNC(=O)c1cc(Cl)c(NC(=O)C2=CSCCO2)cc1OC 9739963 CDELLDHAGNQRCW-UHFFFAOYSA-N 370.858 3.032 0 3 FGAF O=C1CN2CCC[C@@H]2C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F 103293980 KVLOLWBSRBURSY-CQSZACIVSA-N 366.820 3.138 0 1 FGAF CN(C)CCCNc1ccnc2cc([131I])ccc12 100522185 XKUMTLINEKGTOG-OZMBLXRMSA-N 359.225 3.203 0 1 FGAF in-man COc1cc(OC)nc(Sc2cccc(OC(C)C)c2C(=O)O)n1 103188532 XLAOANJPJHAFBR-UHFFFAOYSA-N 350.396 3.130 0 1 FGAF COc1ccc(CN[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)cc1 2356315681 FSATXZBCRIBLSM-LBPRGKRZSA-N 353.378 3.294 0 1 FGAF CCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27094247 MDWHLRMTUWPUOP-OAQYLSRUSA-N 369.896 3.477 0 1 FGAF O=C(O)CCN1CCC(=C2c3cc(F)ccc3OCc3ncccc32)CC1 27558854 SZSJGGATINSGKR-UHFFFAOYSA-N 368.408 3.486 0 1 FGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13CC[C@@H](C[C@H]21)[C@H](CO)C3 2356470228 TXELHOYJNPPLEM-NBXKNYBPSA-N 350.455 3.013 0 1 FGAF COc1ccc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12 117874801 OMKZTEXOKNMEBX-UHFFFAOYSA-N 353.451 3.294 0 1 FGAF Cc1cc2c(s1)CC[C@H](CN[C@H]1CC[C@@H](Oc3ccccc3)[C@@H]1O)C2=O 34800964 IMKMRGOTDDUQHF-GCQDIAHQSA-N 371.502 3.362 0 1 FGAF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CCCCC2)CC1 73221553 BGVPCKPEQROMDY-UHFFFAOYSA-N 370.559 3.200 0 1 FGAF Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@H]3CCCN3)noc2n1 71995356 YBFZWUMZCBOEAD-OAHLLOKOSA-N 354.385 3.025 0 1 FGAF COc1ccc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc1 82068754 SJJGLYXXUIHWAZ-UHFFFAOYSA-N 374.404 3.470 0 1 FGAF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82132236 JWRZOQYTMYEFOO-UHFFFAOYSA-N 356.470 3.002 0 1 FGAF NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1 95564184 OXQZNSJFIPMIBE-UHFFFAOYSA-N 368.462 3.181 0 1 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@@H]1CC(=O)CCC[C@](C)(OC[C@@H]2C)[C@@H]3O1 299806589 ARTZUUBHXRPSMO-JSEZAQTESA-N 364.482 3.142 0 1 FGAF COC(=O)C[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516094 URVCIJACONAKAU-OAQYLSRUSA-N 351.402 3.384 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)CC1)O2 587395173 LAGMXVFNCOODRF-UHFFFAOYSA-N 350.418 3.217 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCC(=O)O)O2 587378395 OEQJVRDDFVBSJW-INIZCTEOSA-N 361.781 3.401 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587816609 BDRKOWAQWRJKSK-AEYAVQINSA-N 368.246 3.276 0 1 FGAF N=c1[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2c(Cl)[nH]1 587032615 LIQHCHYHHWRSEZ-UHFFFAOYSA-N 356.842 3.378 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc1OC2=O 587612117 UFMDTHMFGCGZSS-GCJKJVERSA-N 374.348 3.254 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2cc1OC 587245015 UQFHPRCTVUUYDC-CMDGGOBGSA-N 351.362 3.010 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1OCCO1)(c1cccc(F)c1)O2 587383283 ALEYSBUJNIXKOD-HXUWFJFHSA-N 357.381 3.340 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587596457 VRGREYSFRAHWRJ-QSZISKGPSA-N 368.385 3.312 0 1 FGAF O=C1CCc2cc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc2N1 587041207 LJWPMJHNOPDCEK-PKOBYXMFSA-N 364.474 3.394 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)C(C)(C)C 587202579 BIYAYGTYELZRGJ-AWEZNQCLSA-N 360.458 3.144 0 1 FGAF Cc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1F 587202794 LLOOTCNDWFSGPK-MRXNPFEDSA-N 371.368 3.453 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(O)nc(O)n1 587865714 GFUTWTNFVRXIAX-UHFFFAOYSA-N 366.299 3.158 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592217 JKNLOJQPRCUDOV-GQWAEJPESA-N 354.358 3.066 0 1 FGAF COCCc1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449606 FZNUOPLMLGPMJO-YJYMSZOUSA-N 359.447 3.312 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 586950273 DTXUUNRRYXGDIN-UHFFFAOYSA-N 356.329 3.015 0 1 FGAF COC(=O)c1occc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614981 DZJIGSKCQHBMAE-MAUKXSAKSA-N 366.325 3.475 0 1 FGAF Cc1nc(=N)[nH]cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987038 JLFCQKJBBRPYCB-UHFFFAOYSA-N 354.369 3.330 0 1 FGAF COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586912059 CIGQLTJVSUAWOX-UHFFFAOYSA-N 352.390 3.152 0 1 FGAF O=C1c2ccccc2C(=O)N1[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 587212730 QKEKDHZDWWHVOT-CQSZACIVSA-N 354.409 3.487 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)c(OC)c(OC)c3CN1CC2 14715572 DKCQBFHZGAIJOJ-INIZCTEOSA-N 371.433 3.082 0 1 FGAF biogenic CCC[C@@H](c1nnnn1C1CCCCC1)N1C(=O)C(=O)c2ccccc21 206050784 QZBUABQUYQKELU-INIZCTEOSA-N 353.426 3.249 0 3 FGAF Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2c(C)noc2C)c1 1368391 XYMWMRJSVWEBPK-UHFFFAOYSA-N 355.438 3.305 0 3 FGAF NC(=O)c1cccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 1857614979 CSRQAFWXNDSDSF-BQYQJAHWSA-N 370.352 3.217 0 1 FGAF O[C@H](Cn1cncn1)Cn1c2ccccc2c2cc(Br)ccc21 1857764112 UHRKZEVJJYCKKA-CYBMUJFWSA-N 371.238 3.210 0 1 FGAF C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 2952696 AXMHGSBHRYWPLA-SUMWQHHRSA-N 369.465 3.113 0 1 FGAF C[C@H]1CN(CCCN2CCc3[nH]c4ccc(Cl)cc4c3C2)C[C@@H](C)N1 29482557 OVWHZFQHVQNCGF-GASCZTMLSA-N 360.933 3.252 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1CCC[C@](C)(O)[C@@H]1O3 2356777651 AYNGSAXKNKEGEG-DKIOLRDMSA-N 372.417 3.327 0 1 FGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1c(O)cccc14)[C@@H]32 2356786708 SMRLIFHXJVRKLX-ACRUOGEOSA-N 354.450 3.151 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(OC)c1 62224601 VTISQLKJQFUOLS-SFHVURJKSA-N 373.449 3.445 0 1 FGAF CCCCNc1nc(N2CCCC[C@@H]2CCO)nc2c1NCN2C(C)C 70719315 JDFXENINBATMFP-OAHLLOKOSA-N 362.522 3.028 0 1 FGAF CCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 35966791 SKRPIZKCJOMGQH-UHFFFAOYSA-N 366.406 3.329 0 1 FGAF O=C1NC(=O)c2c1c(-c1cccc(CO)c1)cc1[nH]c3ccc(O)cc3c21 34804131 VTNOBHJWCUGWTA-UHFFFAOYSA-N 358.353 3.070 0 1 FGAF COC(=O)c1cncc(CC[C@@H](C)c2cncc(C(=O)OC)c2C)c1C 13310787 UNAIEFOJVLAFEP-GFCCVEGCSA-N 356.422 3.403 0 1 FGAF biogenic COc1cc2nc(NCC3CCCCC3)nc(NC[C@H](C)O)c2cc1OC 82129570 YJFYBZZZBLZOLL-ZDUSSCGKSA-N 374.485 3.432 0 1 FGAF COCc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95554945 FMNYFEWMCRSGEK-OALUTQOASA-N 361.445 3.447 0 1 FGAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3cnccn3)CC2)c1 95569234 INAABJRPXMOQLI-UHFFFAOYSA-N 367.400 3.014 0 1 FGAF CC1(C)CCC[C@@]2(C)[C@H]1C[C@H]1O[C@@]1(CO)[C@]21CC[C@@](C)(CC(=O)O)O1 238733607 YOGHSAKMXHLZPP-FFUZVNMOSA-N 352.471 3.135 0 1 FGAF CN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@]1(CO)c1ccccc1 95573406 DYJMIXAXRWXZKP-KRWDZBQOSA-N 365.216 3.280 0 1 FGAF N=c1[nH]ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001035 KMOYKSLCNIZXLF-UPHRSURJSA-N 373.210 3.075 0 1 FGAF Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cs1 587022346 XHWZKICLYSSBRI-UHFFFAOYSA-N 351.391 3.321 0 1 FGAF O=CNC[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989117 XKEKJMMRXDYBSB-GFCCVEGCSA-N 358.397 3.318 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCCC2)N1 587754874 LLXLLYWIONPMBQ-IINYFYTJSA-N 369.278 3.470 0 1 FGAF CC(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587561740 VKDOXZLRECCUDG-UHFFFAOYSA-N 353.378 3.244 0 1 FGAF COC(=O)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 587006076 GRYQLJDWCYCUQP-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1CO 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CC(C)N1C(=O)N[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 39290298 MTJQQOLDWSYDTO-GOSISDBHSA-N 354.362 3.171 0 1 FGAF COc1ccc(-c2nc3ccccc3n2Cc2nnc(S)n2C)cc1 29124414 AJJPGEYGLVLOMA-UHFFFAOYSA-N 351.435 3.177 0 1 FGAF CCCNCC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823668 WVXIQKKXCSCGNB-HXUWFJFHSA-N 365.477 3.122 0 1 FGAF COC(=O)[C@H]1O[C@H](OC)c2c1c(C)c1oc3c(C)cccc3c(=O)c1c2O 13378676 RSHLQJHJEKDNRR-ICSRJNTNSA-N 370.357 3.158 0 1 FGAF biogenic CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205709 GFOIBPLZQOAYJR-HZPDHXFCSA-N 372.444 3.080 0 1 FGAF COCCn1c(C(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180953 CUYSAOROEBRYFW-UHFFFAOYSA-N 357.433 3.390 0 1 FGAF Cc1cc(N(C)CCN(C)C)nc(Nc2ccc(Br)cc2)n1 45302083 UDCHKPILQFVAMJ-UHFFFAOYSA-N 364.291 3.289 0 1 FGAF O=C(OCC1=CCN2CC[C@H](OC(=O)c3ccccc3)[C@@H]12)c1ccccc1 238757640 IGBMRHIQTHTGIJ-VQTJNVASSA-N 363.413 3.083 0 1 FGAF Cc1ccn(-c2cnc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)cn2)n1 145406522 REMPPKCPFILUCR-UHFFFAOYSA-N 374.433 3.220 0 1 FGAF Nc1ncnc2ccc(-c3cc(F)cc(NC(=O)CN4CCCC4)c3)cc12 98208241 GDCGMGVDMXRLGC-UHFFFAOYSA-N 365.412 3.052 0 1 FGAF in-vitro CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@@H]2CC[C@@H]3C[C@]12C=C3C 238774233 MDJQZPYACFNHLR-AXAOMFGGSA-N 362.510 3.460 0 1 FGAF O=C(Nc1cccc(-n2cnnc2)c1)c1cc(C(F)(F)F)cc2nc[nH]c12 621477785 LWECTYSKFWGURE-UHFFFAOYSA-N 372.310 3.415 0 1 FGAF Oc1ccc(Nc2ncc(Br)c(NC[C@H]3CCCO3)n2)cc1 299852031 MGJLMNKJNFDXAN-GFCCVEGCSA-N 365.231 3.279 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(=O)O)cc3[nH]2)C(F)(F)C1 587131745 BVZRDFOPAOCZNK-JTQLQIEISA-N 367.352 3.231 0 1 FGAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4c(cc3[nH]2)OCO4)n1 587118723 NMPYRIYJJRFKDA-UHFFFAOYSA-N 350.300 3.433 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587236375 VPBCBDAXXNCQLF-NTSWFWBYSA-N 362.149 3.194 0 1 FGAF COc1cc2c3c(c1)O[C@](CNC(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587430118 RIDNMXUTFMDHIC-VBKZILBWSA-N 359.422 3.116 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)O)c2)N1 587790885 JUMKCWRDTYOEEL-VPTHRUTESA-N 367.218 3.412 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(-n4cnc5ccccc54)cc3)nc2n1 587558491 SICXAZVKHUPWDI-UHFFFAOYSA-N 355.357 3.442 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)c4ccccc4)C1)[C@@H](C2)C3=O 587441100 DJFWDEIBONVHQB-HTAPYJJXSA-N 363.413 3.118 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc3c(c1)OCO3)O2 587390631 OUKUMZDMPOZKKU-FQEVSTJZSA-N 368.389 3.059 0 1 FGAF Nc1cnc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)nc1 587252632 GIEOWMZRJHQDNG-UHFFFAOYSA-N 374.120 3.263 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncncc32)N1 587778911 OUPAHYLKXOJSSL-BTDLBPIBSA-N 362.246 3.492 0 1 FGAF CC(C)Oc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586910095 LQTSABDBAIDQHE-SNVBAGLBSA-N 355.232 3.071 0 1 FGAF CN1CCc2cnn(C)c2[C@]1(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1 963955279 OYJFERKFIXBVKK-HOIFWPIMSA-N 367.493 3.433 0 1 FGAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 207537585 LCCMRNZRAPDWCS-FSNPWBFUSA-N 360.491 3.234 0 1 FGAF in-vitro CN1CCC(Cn2nc(Oc3cccc(Cl)c3)c3c(N)ncnc32)CC1 1772612132 OWAHNIJXSIARTN-UHFFFAOYSA-N 372.860 3.196 0 1 FGAF O=c1n(CCCCNCc2cccc3ccccc23)c(O)c2n1CCC2 169725419 XIGZQGKYFBOLSL-UHFFFAOYSA-N 351.450 3.025 0 1 FGAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3)c2)nn1 1857618233 XHMVMCFMLIUWJT-UHFFFAOYSA-N 356.451 3.411 0 1 FGAF COc1cc(-c2cnc3c(N4CCCOCC4)snc3c2)ccc1N 1857632167 GCNDUCOLHLSOPK-UHFFFAOYSA-N 356.451 3.176 0 1 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCc2ccccc21 4035148 FZCSSYAJXCVBDD-UHFFFAOYSA-N 359.385 3.122 0 3 FGAF CCNC(=O)NC1(C(=O)N2CCC(Cc3ccccc3)CC2)CCCCC1 4981852 TUONUJGOSDJXOB-UHFFFAOYSA-N 371.525 3.490 0 3 FGAF O=C(NCCCc1ccccc1)[C@H]1CCCN1C(=O)NC1CCCCC1 29220912 KOMSBJUHQBWWAX-LJQANCHMSA-N 357.498 3.242 0 1 FGAF COc1ccc2nc(C[C@@H]3CN(CC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356302654 KSYPWVDWSYBTMU-LSDHHAIUSA-N 359.470 3.183 0 1 FGAF CC(C)C[C@H]1NC(=O)C([S@@](=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603566 FUMNTRIFOZAICJ-OIRASMEMSA-N 361.385 3.268 0 1 FGAF CCOC(=O)c1noc2ncnc(N(CC)c3ccccc3OCC)c12 20992313 XQRPUVAHMWYGMN-UHFFFAOYSA-N 356.382 3.351 0 1 FGAF Cc1noc(-c2ccc(N3CCC(Oc4ccccc4C)CC3)nn2)n1 28655428 VNYWNSOKSPFOPO-UHFFFAOYSA-N 351.410 3.191 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 2356747975 KRDCDOUSVMJXDZ-YLJYHZDGSA-N 353.510 3.444 0 1 FGAF COc1cccc(NC(=O)C[C@]2(C)N=C(c3ccccc3F)N(C)O2)c1 74373988 CHKUZQWLPJYJOQ-LJQANCHMSA-N 357.385 3.203 0 3 FGAF CC(C)CNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1 72114651 RJYXTTZYNRWGOJ-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 49807944 KAHIKMMAJJOSRA-UHFFFAOYSA-N 371.462 3.067 0 1 FGAF CN1CCC=C([C@H]2SCC(=O)N2c2ccc(Br)cc2)C1 45283797 BGLVAUILMJOEOE-OAHLLOKOSA-N 353.285 3.117 0 1 FGAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82073095 DYCFQYFJPFFERN-KRWDZBQOSA-N 355.438 3.171 0 1 FGAF COCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142128 UNNTVLJCTZWUPI-ZFWWWQNUSA-N 358.442 3.103 0 1 FGAF CCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@H](C2)N(C)CC[C@@]341 194930071 GIZCUFCOBVPITN-ZKYZHAQMSA-N 355.478 3.062 0 1 FGAF N[C@@H](c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 95592453 KHLBPEISKHAEMP-INIZCTEOSA-N 351.797 3.015 0 1 FGAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccncc3)ccc1O2 95576870 OLJFMUPYPYNPMT-OAQYLSRUSA-N 359.385 3.451 0 1 FGAF CC1=Nc2nnnn2[C@@H](c2ccc(O)cc2)/C1=C(\O)OCc1ccccc1 618007109 BMNSXOQSRVJUID-HVESIFNPSA-N 363.377 3.061 0 1 FGAF COc1nc(-c2cccc3[nH]ccc23)nc(=NCCc2ccc(F)cc2)[nH]1 473162983 ZMCUSELRPQCMQI-UHFFFAOYSA-N 363.396 3.244 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccc(F)cc2)N1 587735501 QBSUVZQSGZLVRQ-DYZYQPBXSA-N 367.237 3.464 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178151 SDHNOLJIYXGTIQ-UHFFFAOYSA-N 363.190 3.228 0 1 FGAF COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC 587787213 RWZWHSGTVNAGPX-UHFFFAOYSA-N 362.288 3.381 0 1 FGAF COc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2n1 587202272 DMUGQQOTHOAPRV-UHFFFAOYSA-N 367.409 3.484 0 1 FGAF COc1cc(N2CCOCC2)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398370 FQRCZXNULGOPMV-HXUWFJFHSA-N 368.433 3.129 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1 587650495 YDNSEDGLJBGHCM-UHFFFAOYSA-N 365.357 3.144 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC3=C2COCO3)N1 587837407 GSEBIXBSPUURMZ-ABKXIKBNSA-N 354.219 3.370 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587231102 LQYPTSWLRWZDQK-ZJUUUORDSA-N 371.268 3.301 0 1 FGAF COc1cc(C)c([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1C 963494128 XKUDYRYJDZJBSX-HRAATJIYSA-N 355.434 3.188 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)CCCc1ccccc1)N1CCCC1 13756402 AEXPIJJZKRJPNV-GRERDSQWSA-N 354.494 3.401 0 1 FGAF CC(C)Oc1ccc(-c2cc(NC[C@H](O)CO)c3ccccc3n2)cc1 13818394 FJTOEVNOQSTJRA-INIZCTEOSA-N 352.434 3.454 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@H](C4)[C@H]3[C@H]1C 169367600 HWXCULOUOMXWMG-BGHAAAKCSA-N 367.489 3.293 0 1 FGAF O=C(c1cc(F)cc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1 168075354 UMZSZTYINWHYPR-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF COc1ccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 205216980 WQXUMDXWDRYDIX-BBRMVZONSA-N 374.799 3.363 0 3 FGAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)[C@@H]1c1ccccc1 1857553520 IANZELXFPRVKKY-FQEVSTJZSA-N 362.429 3.102 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1C[N@]1Cc1ccnc2ccccc12 1857626754 CGPWNJUUKBGYCH-CANCMXDXSA-N 362.355 3.250 0 1 FGAF CCN(CC)CCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 6738596 NWAPERTWXNGIFE-UHFFFAOYSA-N 357.479 3.123 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@@H]3[C@@]45C[C@@H](c6ccoc6)O[C@@H]4O[C@@H](O2)[C@]13CC[C@@H]5C 105508573 GRJSIUBKDJRQIL-RTAKHPCESA-N 374.433 3.424 0 1 FGAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1 59262790 RIVHKFKXQNJYDP-FXAWDEMLSA-N 371.525 3.423 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CC3)c2s1 103264861 DBEJDOXBHGKTLP-UHFFFAOYSA-N 369.450 3.071 0 1 FGAF C[C@H]([C@@H](c1ccc2cc(OCC(=O)O)ccc2c1)n1ccnc1)N(C)C 28130155 HKJCSUNJDASSCM-VLIAUNLRSA-N 353.422 3.039 0 1 FGAF COc1cc(C(=O)c2coc3c(O)c(OC)ccc23)cc(OC)c1OC 72180241 KVWOWEDESOLYNL-UHFFFAOYSA-N 358.346 3.404 0 1 FGAF O=P(O)(O)[C@H](F)c1ccc2ccc([C@@H](F)P(=O)(O)O)cc2c1 27103585 AMIIXHDQPGPIBX-RYUDHWBXSA-N 352.166 3.131 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]12 2356536626 ZRSQRFGDQDYYGF-BBFACKHPSA-N 350.499 3.293 0 1 FGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc(OC)c1)CS2 29392385 RDACHJGYBRINIQ-UHFFFAOYSA-N 358.423 3.467 0 1 FGAF CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(F)c1 71331407 MNOSYFBXUCZGCA-UHFFFAOYSA-N 372.801 3.403 0 1 FGAF COc1ccc(CN2CC[C@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC2=O)cc1 15673107 AQALFWKOIUZMFD-ROUUACIJSA-N 372.509 3.328 0 1 FGAF biogenic O[C@H](COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1 217103879 XAKRWZAZKPLRIX-QFIPXVFZSA-N 366.505 3.474 0 1 FGAF CN1O[C@](C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1Cl 74374211 OESNHROIAKAJPI-LJQANCHMSA-N 357.841 3.386 0 3 FGAF C[C@H](N)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 144993992 GMDSTVTWCURGLX-NSHDSACASA-N 352.442 3.250 0 1 FGAF CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@H](C)[C@H](O)C[C@@H]12 238783911 XNBHVNRFMHXLMZ-HKJUHCEFSA-N 368.470 3.038 0 1 FGAF COC(=O)[C@H]1[C@H](OC(=O)c2cccc3ccccc23)C[C@H]2CC[C@H]1N2C 253712580 WBVZUODNCPVLSS-UTRMSSBJSA-N 353.418 3.021 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3nc(C)nn3c1C)CC2=O 587481526 GJFCUEJFPWBJFF-HXUWFJFHSA-N 366.421 3.280 0 1 FGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587585203 BOSCWMXVDUQWIS-XMSQKQJNSA-N 373.364 3.226 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 587783394 QKMNMHIHWRFTOF-UHFFFAOYSA-N 364.174 3.242 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)O2 587387421 RFQPEWVFYDLYKY-BEFAXECRSA-N 364.417 3.260 0 1 FGAF O=C(O)CCc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O 587941988 WWMKFVZKQAVGPC-UHFFFAOYSA-N 360.591 3.322 0 1 FGAF CC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587236679 DJRJHMXDLXCLJY-UHFFFAOYSA-N 373.453 3.420 0 1 FGAF N[C@H](c1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)cc1F 587148830 AJUQYAPIOLFQKE-NSHDSACASA-N 354.154 3.357 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCC(=O)O)c1)[C@@H](C2)C3=O 587444097 YCHSAQRDOUEPQM-YWZLYKJASA-N 354.358 3.037 0 1 FGAF CC[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579285 DAJAZWGZGSQUKA-XLIONFOSSA-N 350.374 3.393 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587043088 YATHDWJKBNMJDB-MSOLQXFVSA-N 366.490 3.211 0 1 FGAF Fc1c(F)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(F)c(F)c1S 587134116 IEIZQQVISYFZJT-UHFFFAOYSA-N 366.303 3.051 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@]2(c1cc(F)cc(F)c1)c1ncco1 963127784 YNLJIAGWNJXPDL-LJQANCHMSA-N 356.328 3.089 0 1 FGAF COC(=O)c1cc([C@@]2(C)c3cccc(Br)c3CCN2C)c[nH]1 963279876 KLYQODYEUMZPKK-KRWDZBQOSA-N 363.255 3.315 0 1 FGAF Cc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)s1 1772644097 PIWAXKZODUGJFH-UHFFFAOYSA-N 352.467 3.355 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@](C)(COC)c3ccccc3)ncc12 1772633599 DXEPIWIEEGZQOM-LJQANCHMSA-N 369.425 3.040 0 1 FGAF CCCSc1nc(Oc2cccc(Cl)c2)c2nnn(CCO)c2n1 1772606666 XYPFICRPSLAOOR-UHFFFAOYSA-N 365.846 3.161 0 1 FGAF COc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1 13648339 TYOTYOPLSRQPGK-UHFFFAOYSA-N 351.410 3.085 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2Cc1ccccc1 13765002 MFSFKJAYNZMHEN-CTNGQTDRSA-N 351.450 3.344 0 1 FGAF Cc1nc2cccc(Cl)c2c(N)c1CN[C@@]1(C(F)(F)F)CCC(=O)O1 13864115 DPOLCLTVYZSWIA-HNNXBMFYSA-N 373.762 3.464 0 1 FGAF COC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C 150129268 BYQYYKPKLCWQAI-MRXNPFEDSA-N 360.454 3.065 0 1 FGAF COc1c2c(cc3ccoc13)C(=O)[C@@H]1c3cc4c(cc3OC[C@H]1O2)OCO4 3978999 RZZBXVGBWLOHHV-HZPDHXFCSA-N 366.325 3.290 0 1 FGAF biogenic,in-vitro CN1CCN(c2ccc(-c3c(-c4cn[nH]c4)cnc4[nH]ccc34)cc2)CC1 1857764144 GVBJNYJFQAEXCP-UHFFFAOYSA-N 358.449 3.372 0 1 FGAF Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1 1489066 YTGZSWOWFGVAFH-UHFFFAOYSA-N 358.361 3.215 0 1 FGAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356431669 ZKWHYXNVSBUGQC-VQIMIIECSA-N 373.403 3.450 0 1 FGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054590 OJAOOVURWPBBAX-AOIWGVFYSA-N 372.852 3.319 0 1 FGAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCO 4213716 VMEPBGXVOFNXMR-RBUKOAKNSA-N 362.470 3.208 0 1 FGAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]2OC[C@]12C 27846397 RURJICWFYHBEJA-JTVUANMOSA-N 355.478 3.015 0 1 FGAF Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)[C@@H]2CC[C@@H]4C2)no1 101011559 LKBAKHFUNDDERC-CHWSQXEVSA-N 374.404 3.426 0 1 FGAF CCn1c([C@](C)(O)CS(=O)(=O)CC)nc2cc(Cl)c(Cl)cc21 28890415 MSOUOPCNXONPMC-CQSZACIVSA-N 365.282 3.005 0 1 FGAF C[C@]1(O)/C(=C2/C(=O)Nc3ccc(Br)cc32)Nc2ccccc21 100574607 YZBGBEQGJICHQR-NHRMXYMRSA-N 357.207 3.446 0 1 FGAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NC2CCCC2)cc1OC 2356509880 DYEAOENNJVITQL-LLVKDONJSA-N 360.410 3.085 0 1 FGAF CN[C@@H]1CC[C@]23[C@H](O)[C@@H]4C=C[C@H]5C[C@@]4(C)C[C@@](O)(C5)[C@@H]2C[C@]32CCC[C@H]12 2356711696 QDPANORNHMPXKQ-ICXBQZIESA-N 357.538 3.259 0 1 FGAF COC(=O)c1ccc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 25975722 VKHGAQSPOGAPRV-XMMPIXPASA-N 367.814 3.059 0 1 FGAF CC1(C)O[C@@H]1Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 14819295 MNDUMUBSRKMPEO-FUHWJXTLSA-N 356.374 3.230 0 1 FGAF biogenic CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)OC 33938997 WNBMQMMGBBWUOZ-GTNIZGNVSA-N 366.498 3.340 0 1 FGAF O=C(N[C@@H]1CCCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911571271 CUFBKSWMOJCBKS-GFCCVEGCSA-N 357.360 3.417 0 1 FGAF O=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccccc1 84723446 CXGIIFFBMVURCH-UHFFFAOYSA-N 352.337 3.128 0 1 FGAF CC(C)n1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205770 IQLIMXHUORTLJS-HZPDHXFCSA-N 372.444 3.251 0 1 FGAF O=C(O)CCCNC(=O)c1ncc2ccc(Oc3ccccc3)cc2c1O 146685507 HSBHWCUVYXNGIH-UHFFFAOYSA-N 366.373 3.327 0 1 FGAF CCCN(CC(F)(F)F)C1=C[C@H]2NC(=O)C=C(C(F)(F)F)[C@H]2C=C1 253661034 XAYIQAIPEIDAEJ-ZYHUDNBSSA-N 354.294 3.318 0 1 FGAF C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 263591542 OIEDDWOQRVAKTI-ZZUDBMHSSA-N 360.542 3.142 0 3 FGAF CN(C)CCCN=c1nc(-c2[nH]c3ccccc3c2C=O)[nH]c2ccccc12 653751715 MWZDVQGSUVHSHA-UHFFFAOYSA-N 373.460 3.376 0 1 FGAF COc1ccc(-c2nc3ncc(Cl)c(NC[C@H]4CCNC4)c3[nH]2)cc1 653795097 HYIAOLHEBOQEFP-NSHDSACASA-N 357.845 3.308 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ncccn4)s1)[C@@H](C2)C3=O 587451147 IMIHKPJXKALMES-MEDUHNTESA-N 351.387 3.097 0 1 FGAF C=CN1CC[C@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393174 GNEANTWPTKMBET-HTAPYJJXSA-N 362.429 3.430 0 1 FGAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587934045 AIHAHFFLQDDUGA-WYRIXSBYSA-N 351.406 3.293 0 1 FGAF COC(=O)C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990746 DLUVXUCKKADAHS-NSHDSACASA-N 359.381 3.430 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccnc(Br)c2[nH]1 587043638 SBYFQLGUVIYONH-SECBINFHSA-N 369.288 3.341 0 1 FGAF CCOC(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587777687 WELDKQNEEDPKIG-UHFFFAOYSA-N 351.122 3.450 0 1 FGAF CN(C)CCOc1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587068791 DNXJXMBZRFEUDZ-OAHLLOKOSA-N 372.900 3.442 0 1 FGAF CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587778021 HLQWPUOTDZKVEH-UHFFFAOYSA-N 353.378 3.358 0 1 FGAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587784022 CVICOZZAGJSULH-OLZOCXBDSA-N 354.337 3.344 0 1 FGAF COc1ccc(C[C@@H](C)[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962932489 QGKCUNMWNMLNIV-QVKFZJNVSA-N 352.478 3.463 0 1 FGAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)c2csnn2)C1 12386314 ZJTHSCYWLJGSBB-AWEZNQCLSA-N 371.441 3.306 0 3 FGAF Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](C)CCc3ccco3)C2)n1 12880941 UPGSNVHJRSGDKA-PBHICJAKSA-N 356.470 3.040 0 3 FGAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1n1cnc2cncnc21 169351051 OPMJKLXZDHGADZ-AWEZNQCLSA-N 366.233 3.043 0 1 FGAF CCCCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 169622187 RZCPXIZGLPAGEV-OVKYPMIZSA-N 354.487 3.043 0 1 FGAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2cccc(F)c2)C1=O 200049779 BJUMOFRPRAWKJY-LJQANCHMSA-N 354.425 3.445 0 3 FGAF Cc1nocc1C(=O)N=c1[nH]n(Cc2ccc(F)cc2)c2ccccc12 1857612766 LYFXPHQNXHMTFY-UHFFFAOYSA-N 350.353 3.194 0 1 FGAF O[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccc(Br)cc3[C@H]2[C@H]1O 1857755235 NIFZBHWUWKUVQU-DEORAPPZSA-N 360.251 3.441 0 1 FGAF CC(=O)[C@]12C[C@H](C)[C@](CO)(CCC(=CCO)CO)[C@@H]1CCCCC2(C)C 2356361175 WISUTYKMYIPDLH-NTSGDEEZSA-N 366.542 3.488 0 1 FGAF Cc1nc(OC2CCC2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247204 ANGVJJZRHLEHBP-QGLUENRYSA-N 362.495 3.052 0 1 FGAF CCCO[C@H]1CCC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N1C 103217830 SHEIRXNPRQLHDO-INIZCTEOSA-N 368.865 3.481 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc(OCCN3CCc4ccccc43)cc2)S1 29393436 WWGVNZWSVJDZLH-SFHVURJKSA-N 368.458 3.022 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccccn4)C[C@H]3F)[nH]c2cc1C 2356387854 JPNCARVVMIBOBS-VQIMIIECSA-N 354.429 3.314 0 1 FGAF CCCCC[C@@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)C=CCC[C@@H]1OC(C)=O 2356417189 TXKKHPOCYZDCHH-ZSGPHXLJSA-N 354.443 3.328 0 1 FGAF CCNc1cc(OC)c(C(=O)N[C@H]2CCCCN(CC)C2)cc1Cl 27719532 NXJMOFREJPLYOW-ZDUSSCGKSA-N 353.894 3.385 0 1 FGAF Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCC1 64502316 MAHXOTYHBWYWMT-UHFFFAOYSA-N 374.487 3.145 0 1 FGAF Cc1cc2c(s1)CC[C@@H](CN[C@H]1CC[C@@H](Oc3ccccc3)[C@@H]1O)C2=O 34800965 IMKMRGOTDDUQHF-MUMXORNYSA-N 371.502 3.362 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCC)cc1 1911584016 CERDRTXQASZEFF-KRWDZBQOSA-N 355.390 3.049 0 1 FGAF Cc1nc([C@@H]2C[C@@H]2c2nc3cccc(C)c3[nH]2)cc(-n2nc(C)nc2C)n1 143004682 PYWIEKFTRDCAEO-CABCVRRESA-N 359.437 3.438 0 1 FGAF Cc1c(C2=C[C@@H](c3ccccc3)NC(=S)N2)nnn1Cc1ccccc1 95572360 TTZCRXARHLKCKF-KRWDZBQOSA-N 361.474 3.195 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 261084877 CIMMACURCPXICP-GVUZBITESA-N 354.487 3.475 0 1 FGAF in-vitro CC(C)=CCc1cc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)c(C)c1O 43021229 MSONJMHJAJGDCI-SFHVURJKSA-N 356.418 3.407 0 1 FGAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)O)c2)N1 587790886 JUMKCWRDTYOEEL-ZKANADHPSA-N 367.218 3.412 0 1 FGAF CCO[C@H](C)c1ccc([C@@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433971 YJJGBTGXDZOWQC-FIRDEBMASA-N 367.445 3.394 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 587952638 UZBBDRVBFLVAND-KPPDAEKUSA-N 358.364 3.401 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(CC(C)(C)CC(=O)O)nc2c1 587956405 ZPTHVHNCOJXHIB-UHFFFAOYSA-N 369.215 3.155 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(CC(=O)O)c3ccccc13)O2 587389370 HXIQLIVECVLSTN-OAQYLSRUSA-N 364.401 3.497 0 1 FGAF O=C(O)c1cc(F)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587092273 UYTWACYQPRAYMU-UHFFFAOYSA-N 355.247 3.403 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2[nH]cnc12 587863485 LIJICXBSTUXXJX-UHFFFAOYSA-N 360.299 3.233 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)[nH]n1 587863967 UWLFJJIRBHYZCQ-UHFFFAOYSA-N 350.300 3.298 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2N)N1 587748372 WPTIYAGZFBWPRA-JDNHERCYSA-N 350.235 3.363 0 1 FGAF COc1ccc(Br)c([C@H]2NCCc3c(C(=O)O)cccc32)c1 963121683 KTLSIMGTZRVQAJ-INIZCTEOSA-N 362.223 3.391 0 1 FGAF Clc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225938210 MWBHFQQDMCLDJK-UHFFFAOYSA-N 351.801 3.021 0 1 FGAF O=Cc1c(O)ccc2c3c(c(=O)oc12)CN(Cc1ccc(F)cc1)CC3 169347638 VFQPNDDYOSJRIJ-UHFFFAOYSA-N 353.349 3.009 0 1 FGAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(F)c2)c1 1343292 GLFLQIOSZRRMMB-QGZVFWFLSA-N 357.385 3.469 0 3 FGAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCOc2c1ccc[n+]2[O-] 205619208 IHUMLMYNMNIYPT-LBPRGKRZSA-N 367.232 3.118 0 1 FGAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760320 SZZBUHPYJPMOLX-WMZOPIPTSA-N 374.481 3.018 0 1 FGAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 8681551 QZIGLSSUDXBTLJ-FLXSYLCISA-N 352.452 3.085 0 1 FGAF O=C(O)CC[C@@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648187 RACKESAPXGJXEQ-QAPCUYQASA-N 367.449 3.425 0 1 FGAF O=c1c2ccccc2nc2n(Cc3ccccc3)c(CN3CCCCC3)nn12 28713691 NFONOOHXEVRGDY-UHFFFAOYSA-N 373.460 3.078 0 1 FGAF CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@]12OC(=O)N[C@H]2CC 29219477 GWXDXSHXJHOJGR-HUXIJIEQSA-N 374.481 3.290 0 1 FGAF CCCN1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 27522650 RJZBLYAGUIFGMM-FQEVSTJZSA-N 353.462 3.340 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc(CN3CCCC3)c1)C2 28344300 NUMFIFAWUVMOKJ-OAQYLSRUSA-N 367.445 3.486 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]12 2356469696 XXZJUUFVWAGZEG-JJUQKUTHSA-N 366.461 3.487 0 1 FGAF CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 27417400 ZNCQYTQQCFQXKW-UHFFFAOYSA-N 361.467 3.110 0 1 FGAF COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=C(C)[C@@](C)(O)C2=O 2356613915 CBAPDZMSAISMEE-OAQYLSRUSA-N 368.385 3.202 0 1 FGAF C[C@]1(c2ccc3c(c2)OCO3)OC[C@H]2[C@H]1CO[C@H]2c1ccc2c(c1)OCO2 2356627578 NFHFNBFYZIJLKZ-XSRQCEPYSA-N 368.385 3.393 0 1 FGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 61904061 AAYSDZOJHOPOTL-GFCCVEGCSA-N 359.344 3.391 0 3 FGAF CC(C)(C)NC(=O)[C@H](COCc1ccccc1)OC(=O)c1ccccc1 34170550 BDNIUYNQZBZUQU-SFHVURJKSA-N 355.434 3.344 0 1 FGAF CCCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1 73199922 JIBMGLAVBNYQNX-UHFFFAOYSA-N 370.409 3.144 0 1 FGAF COc1ccc(CN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc1 40848695 URFRONCNTYYGHB-UHFFFAOYSA-N 368.414 3.361 0 1 FGAF C[C@H]1O[C@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49021510 JYOGKBXESSHWFA-SPSVIKBFSA-N 364.612 3.053 0 1 FGAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CCCNC2)CC1 84652074 GQDSQCQJLXEXKL-ZDUSSCGKSA-N 371.312 3.143 0 1 FGAF O=c1[nH]c2ccccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1 40429082 WEZLSLVHHILOGK-UHFFFAOYSA-N 373.460 3.483 0 1 FGAF Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2cn1 43015698 NSTDEQGLVQNSNG-UHFFFAOYSA-N 355.873 3.322 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253641662 RLATZNIHDCUZGM-IJXRJRJASA-N 365.429 3.300 0 1 FGAF CN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 250728535 YFNAOPLKGVKGOK-SUUQVRNDSA-N 356.466 3.052 0 3 FGAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(Cl)cn4)[C@@H]3C2)nc2ccccc21 261141633 NEMXIGWAGKMPLI-ZSHCYNCHSA-N 368.868 3.379 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(C)cc4)nn1)[C@@H](C2)C3=O 587439711 WILFBRDZSXPMDO-KKSFZXQISA-N 361.401 3.132 0 1 FGAF COC(=O)c1ccnc2[nH]c(CCCNc3cc(C)ccc3OC)nc12 587228794 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O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCCC1 26474054 OPGLCXSPDRPQFL-WKXIVMOISA-N 352.478 3.182 0 1 FGAF CN(C)CCN1C(=O)c2cccc3cc4nc(Cl)sc4c(c23)C1=O 28876748 WKZHDYWPKGSCGX-UHFFFAOYSA-N 359.838 3.261 0 1 FGAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@@H](C)O 2356497228 FYHIZHOFZHNXAI-RISCZKNCSA-N 364.829 3.299 0 1 FGAF COc1cc2c(cc1Br)[nH]c1c(C3=C[C@H](OC)CN3)nccc12 2356535900 LNQYZIKAFFMNLV-VIFPVBQESA-N 374.238 3.446 0 1 FGAF CCc1c(-c2ccc(Oc3ncccc3Cl)cc2C)n(C)c(=O)[nH]c1=O 220966006 ZVBJFKGTUSVIFK-UHFFFAOYSA-N 371.824 3.452 0 1 FGAF CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)[nH]c1C 84689983 NBTDQBMOXORJNF-UHFFFAOYSA-N 350.212 3.213 0 1 FGAF COC(=O)C1=CCC[C@H]2[C@H]3C(=O)O[C@@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238788693 UWQVIOGQUQQNPO-USYFJQONSA-N 372.417 3.235 0 1 FGAF COc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1 96271739 VJQJEOQTNHDWIM-UHFFFAOYSA-N 353.407 3.164 0 1 FGAF O[C@@H]1CCN([C@@H]2CCCC[C@@H]2OCCc2ccccc2Br)C1 145390173 PNVFQNPFMGVTKU-NXHRZFHOSA-N 368.315 3.386 0 1 FGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 95600732 XWDJBLGWEZNSAO-IBGZPJMESA-N 371.458 3.230 0 3 FGAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(F)cc1O 299857088 CKYOSWZQMHVEIY-UHFFFAOYSA-N 368.412 3.229 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)c(C(=O)c3ccccn3)c2c1 587651421 SROHFCWOZJPVPT-UHFFFAOYSA-N 366.398 3.457 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586951112 UBIGOEPFKYYMDZ-UHFFFAOYSA-N 373.434 3.167 0 1 FGAF Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3)c(-c3cnn(C)c3)[nH]c12 587627418 VMCCSZHSJQBZHH-UHFFFAOYSA-N 353.813 3.495 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)O2 587397381 AJOVGWAKZCFKTA-VQZRKKFQSA-N 358.438 3.168 0 1 FGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc2c(nn1)CCC2 587662028 WNNUDYHVGXSMGA-UHFFFAOYSA-N 358.376 3.471 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3ncnc32)[C@@H]1c1ccc(F)cc1 587346093 LDPJHYVHKVYQMT-YLJYHZDGSA-N 363.348 3.252 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1N1CCOCC1)O2 587382154 OTYBSKVEBDUUKR-SFHVURJKSA-N 356.397 3.259 0 1 FGAF Cc1ccc2c3c(c(CCC(=O)O)c(C(=O)O)nc13)-c1ccccc1C2=O 587100658 NYNNRNIDWYBLOH-UHFFFAOYSA-N 361.353 3.470 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(N)=O)c2)N1 587751328 XQYILNHABDKBDY-XXFAHNHDSA-N 363.230 3.311 0 1 FGAF Cc1ccnc2c1CCN[C@]2(CSCC(=O)O)c1ccc(Cl)cc1 963078508 XYZNUYNTRXFFHB-GOSISDBHSA-N 362.882 3.251 0 1 FGAF C[C@@]1(c2ccnnc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182944 RZVOXGPYQMCNOK-NHYWBVRUSA-N 371.746 3.011 0 1 FGAF O=C(O)c1ccc(-c2ncccc2[C@@H]2NCCc3c(C(=O)O)cccc32)cc1 963119807 IKNMNQHAXMBMJB-HXUWFJFHSA-N 374.396 3.380 0 1 FGAF CCOC(=O)Cc1csc(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 5015198 BKLQMZNGKLOXNP-DYEKYZERSA-N 370.540 3.282 0 1 FGAF COc1ccc(N[C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)cc1 11820149 OTMCDKSVGCUCAA-AWEZNQCLSA-N 356.451 3.121 0 1 FGAF CCn1nc(C)cc1C(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 11840507 DWFTYDAFJCJVNX-QGZVFWFLSA-N 362.433 3.007 0 1 FGAF COc1ccc(-c2cnnc(N[C@H]3CCN(Cc4ccccc4)C3)n2)cc1 12459462 QQOZSZRNUCQULC-SFHVURJKSA-N 361.449 3.234 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]314 169295032 HZCJHCKFTKJLFP-LGFFLQIISA-N 353.462 3.104 0 1 FGAF COc1cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc(OC)c1OC 2468467 HBJZWPUJXAUVIO-JLTOFOAXSA-N 370.405 3.482 0 1 FGAF C[C@H]1CCCCN1C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 104004580 PMSPHDGHPUKYPW-SEQUMDBASA-N 356.451 3.096 0 3 FGAF O=C1NC(=O)/C(=C/c2ccc(OC[C@H]3COc4ccccc4O3)cc2)S1 28714337 DFEJSZCZXHPODS-DUPVFGOHSA-N 369.398 3.229 0 1 FGAF CC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28461754 SNRGQBSLWSCUGI-HXUWFJFHSA-N 358.483 3.230 0 1 FGAF CNC(=O)c1[nH]nc2c1C[C@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28525934 XYYQUSQQASXEKW-WLNNIECUSA-N 351.450 3.045 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2356319331 YSDLIYMQHZRCQI-GFCCVEGCSA-N 360.451 3.002 0 1 FGAF CC(=O)Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2 28234903 WUPCAAVZWULBKD-DHIUTWEWSA-N 364.489 3.353 0 1 FGAF C[C@@]1(C(=O)Nc2ccccc2F)CCN1C(=O)Cc1cc(F)ccc1F 61897932 XIQQDJGIIYQBOG-IBGZPJMESA-N 362.351 3.276 0 3 FGAF O=C(NCc1ccccc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61927174 YYPJHVRXMYURIX-HXUWFJFHSA-N 374.396 3.097 0 3 FGAF NC(=O)C1CCN(c2ncc(-c3cccc(N4CCCC4)c3)s2)CC1 66124410 BQNCJGIWXCJMIC-UHFFFAOYSA-N 356.495 3.112 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2c1 38224572 APAWWENFLWTYNV-UHFFFAOYSA-N 364.449 3.097 0 1 FGAF CO[C@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 36453051 VNVXZDRVVHCQPB-RLCCDNCMSA-N 350.370 3.144 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1 210009075 WGHDYOHZXVHSJS-HZPDHXFCSA-N 359.437 3.210 0 1 FGAF CCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1 221703607 LMHOKWLCLYLTHX-UHFFFAOYSA-N 367.453 3.323 0 1 FGAF Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4ccccc4)s3)cc12 49112066 YMBNZUUECWJCDF-HNNXBMFYSA-N 364.478 3.372 0 1 FGAF COc1cc(/C=C/n2ncc(Cl)c(Cl)c2=O)cc(OC)c1OC 84669391 AUABJIDHYYJPMJ-SNAWJCMRSA-N 357.193 3.204 0 1 FGAF COc1ccc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)cc1OC 96909758 KAFOKBDXXNSSTJ-UHFFFAOYSA-N 368.385 3.237 0 1 FGAF O=C(CC1c2cccc(O)c2C(=O)c2c(O)cccc21)NCc1ccccc1 473154805 LWYFLIUIISPKEB-UHFFFAOYSA-N 373.408 3.481 0 1 FGAF COC[C@@H](C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21 653785898 JWMPCMACOTWDKX-CYBMUJFWSA-N 367.405 3.074 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2cc1OC 587167823 XLXKJAMFJRSUPH-BQYQJAHWSA-N 369.352 3.149 0 1 FGAF N=c1[nH]c2nc(-c3ccccc3OCc3cscn3)nc-2c(Cl)[nH]1 587029663 SRDNUDJOBSXVNF-UHFFFAOYSA-N 358.814 3.073 0 1 FGAF COc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774313 MGDXUAMXWXMKAD-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(N)=O)cs2)N1 587848925 PYLVADBSXKIHQJ-WJWGPLDTSA-N 369.259 3.372 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C(=C/N(C)C)C(=O)OC)(C1CC1)CC2=O 587469591 NXHQOHDFJIARJQ-CZIOWHBQSA-N 373.449 3.077 0 1 FGAF Fc1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587112128 ITIYBOBELGDZEY-UHFFFAOYSA-N 362.290 3.423 0 1 FGAF C=C(NC(C)=O)c1nc2cc(Br)c(Br)cc2[nH]1 587202858 HXASHCDHNKUOMG-UHFFFAOYSA-N 359.021 3.195 0 1 FGAF CN1CCC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587582490 LOAVYSMXDWSCFI-HLLQZAQXSA-N 353.418 3.454 0 1 FGAF COc1cncc2nc(-c3cc(I)ccc3F)[nH]c12 587182836 PFFFKWOICUMNDW-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF CCN(CC)c1ccc(-c2nn(C(=N)S)c(=O)c3ccccc23)c(O)c1 587670685 QHRSQUYXVACDHU-UHFFFAOYSA-N 368.462 3.328 0 1 FGAF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c1 587638137 KXOURGVGJRXOBA-UHFFFAOYSA-N 354.362 3.444 0 1 FGAF CCC(=O)NCc1cccc(Nc2nc3ccccc3n3c(C)nnc23)c1 1772578386 KURQNXAYRCCOJU-UHFFFAOYSA-N 360.421 3.356 0 1 FGAF C[C@@H]1c2c(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnn2CCN1C 205903026 CXWPUOGBKGFBIZ-SECBINFHSA-N 367.379 3.016 0 1 FGAF COc1ccc(CN2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)cc1 1857636770 QWCFUBRVRZDWAV-UHFFFAOYSA-N 370.522 3.222 0 1 FGAF O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1 4166832 VMECADNTLGXXOM-UHFFFAOYSA-N 371.896 3.399 0 3 FGAF CCN(CC)CCc1nc2c([nH]1)C[C@@H](c1ccc(Cl)cc1)CNC2=O 65418203 GGXNTIIAKOWXQN-CQSZACIVSA-N 360.889 3.017 0 1 FGAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3 2356534820 RAWSBOWKVIDKNU-UHFFFAOYSA-N 356.330 3.084 0 1 FGAF COCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 113652771 INGNNUWAJHWSMV-UHFFFAOYSA-N 360.801 3.050 0 1 FGAF CN1O[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N=C1c1ccccc1F 74374242 PNCFYVSGHMNWDS-SFHVURJKSA-N 363.339 3.473 0 3 FGAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(N)c2)NC(=O)N1 73296708 XVBYKGUBMJDVMO-GOSISDBHSA-N 357.454 3.410 0 1 FGAF CC1=N[C@@]2(N=C1N)c1cc(OCC(C)C)ccc1CC21CCC(O)CC1 210585562 GWDMNQZCWCEASB-VYHPPPRESA-N 355.482 3.183 0 1 FGAF CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 38424936 CDDUMSDWPMBQGF-KRWDZBQOSA-N 372.490 3.113 0 1 FGAF CCC[C@@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45259577 USBHEELMYYNIQI-HNNXBMFYSA-N 369.469 3.322 0 1 FGAF C[C@@H](COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)O[N+](=O)[O-] 40976572 WGTJLXQITFRCTR-UONOGXRCSA-N 357.362 3.161 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1cc(Cl)ccc1F 40833657 DXZQWVIFSFGUPU-OAHLLOKOSA-N 360.834 3.436 0 1 FGAF COc1cc(O)ccc1[C@H](O)C(=O)Cc1ccc2c(c1)C=CC(C)(C)O2 238756942 QFFFCSBONHSYCH-FQEVSTJZSA-N 354.402 3.430 0 1 FGAF O=C(COc1nn(-c2ccccc2)c2ncccc12)NCc1ccccc1 230563903 WGNXOJCVJWNCAB-UHFFFAOYSA-N 358.401 3.116 0 1 FGAF COc1cc(CCNCc2ccncc2)c(OC)cc1Br 473090865 AYLJWEYRCXKAIM-UHFFFAOYSA-N 351.244 3.194 0 1 FGAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587382898 UGBUKIURQPGAMG-DIFFPNOSSA-N 353.365 3.280 0 1 FGAF COC(=O)c1cc2[nH]c(-c3c(OC)ccc(OC)c3OC)nc2cc1OC 587925467 AVXGQBOCFUIYBF-UHFFFAOYSA-N 372.377 3.051 0 1 FGAF COC(=O)c1ccc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441092 CSXQQVYPOGHEOK-DLBZAZTESA-N 352.386 3.231 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)O)cc4[nH]1)(C3)C2 587950832 OHJBBJMNCRJFNS-BRRVFRNMSA-N 354.406 3.415 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cnncc3[nH]2)cc1 586950212 RVWQFBULTUPNJJ-UHFFFAOYSA-N 365.418 3.129 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)no2)N1 587790948 DCENYSPRBZKOFZ-ZIDLFYJRSA-N 369.190 3.072 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccccc12 587797298 WEIHNQYOEAYVTR-XLFHBGCDSA-N 361.214 3.318 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2c(n1)SCC2 587619285 RIVDLGYOPAUMLF-MAUKXSAKSA-N 366.398 3.397 0 1 FGAF CCC(C)(C)c1ccc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587565411 HEOGJLOZTJTOJW-UHFFFAOYSA-N 373.478 3.477 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CO)n2)N1 587768953 FGRLGNUPHMSQJE-ABKXIKBNSA-N 351.219 3.099 0 1 FGAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587962080 HWOXLOWQLNBESR-BDAKNGLRSA-N 360.357 3.014 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586946159 SPJOFXNRMWEMOX-UHFFFAOYSA-N 361.467 3.478 0 1 FGAF Cc1ncccc1[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962660078 GAFPNCOXOXWNMJ-FGZHOGPDSA-N 361.445 3.300 0 1 FGAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCO[C@@H]1c1ccnn1C)N(C)[C@@H](C)C2 962640141 YYGZKHAZVUCCTH-UWUZAJPRSA-N 371.481 3.133 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1 11934559 NEHMBGOWUSGTLI-OAHLLOKOSA-N 354.360 3.353 0 3 FGAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@H]1N=CN2Cc1ccc2ccccc2c1 1857545245 XZEKVKMBTWCCOJ-FGZHOGPDSA-N 368.440 3.149 0 1 FGAF COc1ccc(CN2CCN(c3cc(=O)oc4ccccc34)CC2)cc1 103271655 YOYMXDRASNJRLQ-UHFFFAOYSA-N 350.418 3.124 0 1 FGAF COC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)N[C@@H](C)c1ccccc1 28469295 HWSRODHWXBZVDE-KKSFZXQISA-N 352.434 3.317 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc(CCOCCOc2ccccc2)cc1 29329711 PKZYTIYNCWDIPJ-HXUWFJFHSA-N 373.493 3.062 0 1 FGAF CN1CCN(c2cc3nc(/C=C/c4ccccc4)nc(O)c3cc2F)CC1 29415484 BKFPIFSTEMFXHG-BQYQJAHWSA-N 364.424 3.397 0 1 FGAF COc1cccn2nc(CCc3nc(-c4cscc4C)cn3C)nc12 117862464 HVXFWKGTLVYEML-UHFFFAOYSA-N 353.451 3.294 0 1 FGAF CC(C)NC[C@H](O)COc1cccc2c(=O)cc(-c3ccccc3)oc12 29559685 UMJWYQXYGAYHQP-INIZCTEOSA-N 353.418 3.198 0 1 FGAF N[C@@](CCCC(c1ccccc1)c1ccccc1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27180591 IYRWSFHVBKPEBA-NNMXDRDESA-N 367.445 3.492 0 1 FGAF CC(=CCC[C@H](C)CCO)C(=O)O[C@@H]1C[C@@H]2[C@H](C)CN(C)C[C@H]2[C@H]1C 2356664537 YRZCHFOUTWAZDC-VFNZLGRZSA-N 351.531 3.497 0 1 FGAF CC(=O)Nc1cccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1 35846879 SXOBKWKBKHTRHL-FQEVSTJZSA-N 372.490 3.107 0 1 FGAF CN(C)Cc1cc(S(N)(=O)=O)ccc1Cc1ccc(Cl)c(Cl)c1 40935887 UEHLVCUNIAJBCM-UHFFFAOYSA-N 373.305 3.293 0 1 FGAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCC 82210761 YQZOOCIOQVXUAO-FNQXXSLKSA-N 364.530 3.435 0 1 FGAF C[C@H](CC(=O)O)NCCOCCN1c2ccccc2CCc2ccccc21 96929382 ZOIPJVQREOAZBU-QGZVFWFLSA-N 368.477 3.393 0 1 FGAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@H](C)C(=O)NC(C)(C)C)C2 33572950 VXTJFOBUKFUVAA-ZFWWWQNUSA-N 361.482 3.423 0 1 FGAF biogenic C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 653823133 DMOZPJBEROLOQD-VPVZGQLUSA-N 362.510 3.148 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1N1CCSCC1)[C@@H](C2)C3=O 587451813 KYIGPQOSEUICRN-KNBMTAEXSA-N 359.491 3.173 0 1 FGAF CCc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528893 FYTRFSLDABBZND-JOCHJYFZSA-N 352.430 3.299 0 1 FGAF Cc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Cl 586950877 FJIUXXJJIBYJSP-UHFFFAOYSA-N 356.860 3.328 0 1 FGAF COCCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756139 QZHYHNULUNSCTK-BONVTDFDSA-N 368.250 3.055 0 1 FGAF COc1ccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(F)c1 587150037 YKTROAHEHZVMGS-UHFFFAOYSA-N 354.429 3.053 0 1 FGAF CCOC(=O)C(=O)C[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508957 UEWBARHFJCCJPX-LJQANCHMSA-N 366.360 3.057 0 1 FGAF COC(=O)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592181 IUPLEDONKNLDOG-AVBTWRTFSA-N 368.385 3.456 0 1 FGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(F)cccc1F 587638272 VNYIZFNXCLVRIW-UHFFFAOYSA-N 359.284 3.162 0 1 FGAF CCc1ccnc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962978581 RZKUYDSINXHAJV-XJKSGUPXSA-N 352.768 3.264 0 1 FGAF O=C1c2ccccc2O[C@H](c2ccccc2O)[C@@]12NCCc1ccc(O)cc12 963340807 IIXNBBUNWQMWPZ-PKTZIBPZSA-N 373.408 3.455 0 1 FGAF C/C=C/C(=O)Nc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1 1772651426 MZCNOTIDWAXVDJ-FNORWQNLSA-N 357.498 3.328 0 1 FGAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccccc1 1772624454 SESJORIIMPHFEV-HBMCJLEFSA-N 368.452 3.321 0 1 FGAF COCCNc1nc(Nc2ccccc2)nc(Nc2ccc(OC)cc2)n1 1772583144 MRTSDRXNVYWVFO-UHFFFAOYSA-N 366.425 3.426 0 1 FGAF O=C(c1ccc(CN2CCC(CCO)CC2)cc1)c1ccc(O)c(F)c1 169307926 NTYSPJOKYWFNJE-UHFFFAOYSA-N 357.425 3.357 0 1 FGAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)C 206092033 ACDKOFBRGHETMP-UHFFFAOYSA-N 353.401 3.179 0 1 FGAF O=c1cc(OCCOc2cc(Cl)ccn2)ccn1-c1ccc(F)cc1 1857629546 WMXPPEYZRFPINB-UHFFFAOYSA-N 360.772 3.483 0 1 FGAF C[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857755105 CSNKCLMUMSYGCB-WFASDCNBSA-N 358.388 3.302 0 1 FGAF CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C 603125 SLLIIFQCPVUDMP-UHFFFAOYSA-N 354.431 3.243 0 1 FGAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@]21C 2356332034 ZLLOIFNEEWYATC-NLTNSNBCSA-N 364.869 3.375 0 1 FGAF O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1 4238573 KUVIUCONEVBFLW-UHFFFAOYSA-N 360.392 3.159 0 1 FGAF O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100293745 UIZNMIBTZJJCGV-SJORKVTESA-N 362.410 3.299 0 1 FGAF COc1cc([C@H]2CN=C(c3ccc4c(c3)CCN4C)O2)cc(OC)c1OC 27518515 RCYTZJDFTTYSAV-LJQANCHMSA-N 368.433 3.223 0 1 FGAF CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(CCCc3cc(OC)ccc32)C1=O 27618146 SAKMFRUGJVRBKD-KSFYIVLOSA-N 372.509 3.149 0 1 FGAF O=COC1CCC(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 115792953 WUHFXUVOEOHBNF-SXGWCWSVSA-N 361.419 3.121 0 1 FGAF O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1 29481107 AJYISZHHXVAAEK-LJQANCHMSA-N 360.885 3.292 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C(O)C[C@]13COC(=O)C1=CCC[C@H]23 2356531496 AHNAHYGLOSJRIT-IONDEXAJSA-N 356.374 3.369 0 1 FGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@H](C)CC(=O)O)[C@H](C)c1ccccc1 2356786554 AVTHWMAILGATEZ-QINHECLXSA-N 373.449 3.204 0 1 FGAF Cc1ccsc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 61896970 PMMLKVSDQLNBIJ-UHFFFAOYSA-N 362.524 3.396 0 3 FGAF CCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1 72142312 QGHHSBNIKUSTGD-UHFFFAOYSA-N 364.449 3.458 0 1 FGAF CS(=O)(=O)c1cccc(/N=c2\[nH]ccc3[nH]c(-c4ccccc4)nc23)c1 74386427 CNMKULIMNUSTMC-UHFFFAOYSA-N 364.430 3.194 0 1 FGAF CNCCC[C@H]1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O 49034491 KINFMOXIYLIVMO-AWEZNQCLSA-N 366.433 3.357 0 1 FGAF COc1ccc2c(c1)[C@H]1N=CN(CCc3c[nH]c4ccccc34)C(=O)[C@H]1N2 40917143 UUIVAQJNXWVEDE-UXHICEINSA-N 360.417 3.125 0 1 FGAF NC1=N[C@@H](CCc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)CO1 139695316 JMRWXUNCUZBXHM-AWEZNQCLSA-N 350.344 3.490 0 1 FGAF CCN(C(=O)N1CC(Oc2ccc(F)cc2C)C1)c1ccc(OC)nc1 49070501 MSTHIFOZMXBBLC-UHFFFAOYSA-N 359.401 3.247 0 1 FGAF COCCn1cc([N+](=O)[O-])c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 145230532 UDTOXZRBVJWWEG-UHFFFAOYSA-N 361.379 3.326 0 1 FGAF O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCCCC3)n12 147208015 ARRXPXQIIIRWCT-UHFFFAOYSA-N 373.460 3.277 0 1 FGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2=CC[C@@H](O)CC2)nc1 149568434 XZMMWKAYVRDZIF-NUJGCVRESA-N 367.449 3.299 0 1 FGAF O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95894475 ZQELZTZCKCWGIN-FSSWDIPSSA-N 362.473 3.162 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(NC4=NCCCS4)cc3)nc2n1 587564042 NJYIIPSMFMYTAO-UHFFFAOYSA-N 353.407 3.008 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 587232237 UQYTZDXWSAXZHW-NWDGAFQWSA-N 365.861 3.261 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(OC)ccc(C)c21 587481850 IFNZUHBHWTYYDH-NRFANRHFSA-N 367.401 3.475 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cnccn2)N1 587774666 NKDLXTSBNBDQTL-MGPLVRAMSA-N 350.235 3.370 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]ccc1=NC(=O)C(C)(C)C)O2 587389371 KASKGORTLIHKGN-QGZVFWFLSA-N 353.422 3.085 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586878767 HGBOXKFULBIVGI-JXMROGBWSA-N 356.403 3.225 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(CN4CCOCC4)c1)[C@@H](C2)C3=O 587443178 LHEYYXQMOHBFKF-PGRDOPGGSA-N 365.429 3.016 0 1 FGAF FC(F)(F)c1nn(Cc2nc3cnc(Cl)[nH]c-3n2)c2c1CCCC2 587119338 BHTUFIPLFMVUJZ-UHFFFAOYSA-N 356.739 3.100 0 1 FGAF COC(=O)[C@@H]1C(C)(C)CC(N)=C[C@]12NCCc1c(Cl)cc(Cl)cc12 963104084 HBYCEZSDAWBZHL-CRAIPNDOSA-N 369.292 3.396 0 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N[C@@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28899685 VMMSXEPJIRGODV-RDTXWAMCSA-N 370.378 3.492 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@](O)(CC[C@@]12C)[C@H]43 2356550092 BIOQITHAUXBDPF-OXCYVSQGSA-N 371.521 3.147 0 1 FGAF Cc1csc(Nc2ccc3c(c2)[C@H](N2CCCC2=O)[C@H](O)C(C)(C)O3)n1 27555604 NDCRVKIDSINIRL-IRXDYDNUSA-N 373.478 3.391 0 1 FGAF COc1cc([C@@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)[C@H]2C)ccc1O 14641970 UBHQFHYVKKIXCN-LZMSUEEISA-N 374.433 3.475 0 1 FGAF biogenic O=C(NC1CCCCC1)[C@H](c1ccnc2ccccc12)N1CCOCC1 199395173 JHNGWYGTRPGKRY-FQEVSTJZSA-N 353.466 3.057 0 3 FGAF Cc1cc(Nc2ccc(C(=O)NCCF)cc2F)nc(-c2cccnc2)n1 221578889 WJMAQWAFFNUKCT-UHFFFAOYSA-N 369.375 3.429 0 1 FGAF CCNC1=N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1C 199432132 PKYYJBCMUKRHCY-AWEZNQCLSA-N 355.360 3.104 0 3 FGAF O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 146230118 JUPURURDYZDQFU-UHFFFAOYSA-N 351.790 3.466 0 1 FGAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95605216 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Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cc(C(=O)O)no1 962400340 UOGMOTGTEPAMQO-SFHVURJKSA-N 357.435 3.095 0 1 FGAF CC[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O 13813589 NKKMHFZVLPLVCV-IEBWSBKVSA-N 363.417 3.285 0 3 FGAF Cc1cc(O)nc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)n2)c1 1857599297 VLSVRASOIUODFK-UHFFFAOYSA-N 368.359 3.004 0 1 FGAF NC(=S)c1cccc(-c2cn(CC3(O)CCC3)c3cc(CO)ccc23)c1 1857619333 KUFVZFHXPFIHFJ-UHFFFAOYSA-N 366.486 3.350 0 1 FGAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=N)N)s4)o3)nc2c1 1857635439 UUWSLLFRNHISGE-UHFFFAOYSA-N 350.407 3.120 0 1 FGAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1ccccc1F 771733 DSEDIJITTBBGPV-NRFANRHFSA-N 370.424 3.324 0 1 FGAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)cc1 2480257 ZZVUTVUZGCSMSV-UHFFFAOYSA-N 370.380 3.269 0 1 FGAF CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2 3955759 FJWYHHVGHXJCSM-UHFFFAOYSA-N 359.470 3.481 0 1 FGAF O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccccc1Cl 4099721 IPOVPFYGDPKXIG-UHFFFAOYSA-N 369.852 3.167 0 3 FGAF COc1ccc2c(c1)cc(-c1nc3cc(Cl)ccc3[nH]1)c1nnnn12 103201604 WYIMJQNXSFFSCO-UHFFFAOYSA-N 350.769 3.483 0 1 FGAF O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F 28232520 BPOULYWJRPJNBA-OYADATRGSA-N 371.405 3.143 0 1 FGAF CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 66252415 WNYCNDJJJGUDIK-VIFSAKLVSA-N 366.527 3.237 0 1 FGAF O=C(CCCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1)OCc1ccco1 26187181 WJWZAYUXPUUEDN-ZHACJKMWSA-N 359.334 3.346 0 1 FGAF O[C@H](CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12 71295126 AQFQXNDANGFFNG-LJQANCHMSA-N 360.523 3.121 0 1 FGAF Cc1cccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356302335 RYDBDOTWZRNPIK-KSSFIOAISA-N 358.392 3.145 0 1 FGAF CC(=O)c1cc(Cl)c(F)cc1NCC(=O)Nc1ccccc1C(=O)O 28644750 MEDOYUPMWVOYBB-UHFFFAOYSA-N 364.760 3.431 0 1 FGAF COc1cc(C=CC(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1O 2356761354 BAHCOLDSFFWEDT-UHFFFAOYSA-N 366.417 3.263 0 1 FGAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCCCC3)cn12 61898720 JTYYWCLIFDNBKF-UHFFFAOYSA-N 356.470 3.286 0 3 FGAF O=C(N[C@H](Cc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 35841680 NTZARIWVZSIQHA-OAHLLOKOSA-N 367.430 3.312 0 1 FGAF CCCCNC(=O)[C@H](COCc1ccccc1)OC(=O)c1ccccc1 34170554 KJIHBDWEMGEYCR-IBGZPJMESA-N 355.434 3.345 0 1 FGAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCN)c1ccccc1 36184678 VZJZHIKRRFMIGO-HXUWFJFHSA-N 372.419 3.348 0 1 FGAF COc1cc2sc(C(=O)C[C@H](C)C(=O)O)nc2cc1Br 1911585203 RIADUBQTKKRXQK-LURJTMIESA-N 358.213 3.361 0 1 FGAF CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(C(C)C)c2=O)N1 82207532 VOORNAGZAYXMEO-CQSZACIVSA-N 368.437 3.153 0 1 FGAF CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209714 NJNOROSSTVWVLY-MRXNPFEDSA-N 370.497 3.283 0 1 FGAF Cc1cc(N2CCCN([C@H](C(=O)O)c3cccc(C)c3F)CC2)ccn1 95531445 UYAXTYVBPFIEDR-IBGZPJMESA-N 357.429 3.176 0 1 FGAF NC(=O)c1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1 144050750 RSQKRFLIPSAOAW-UHFFFAOYSA-N 352.415 3.453 0 1 FGAF COC(=O)c1cccnc1Oc1ccc(-c2c(C)n[nH]c(=O)c2C)c(C)c1 261181045 WDEOTWZFUPGOEK-UHFFFAOYSA-N 365.389 3.336 0 1 FGAF N[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)c3[nH]c([C@H]4C[C@H]5CC[C@H]4C5)nc23)C1 653670303 FLSNBMIFUBTWCA-JAAXMTQOSA-N 368.481 3.172 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)([C@@H](C)CC(=O)O)O2 587388399 BRWYAZWSFSTNIN-FKIZINRSSA-N 354.406 3.131 0 1 FGAF COc1cc(O)cc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c1 587932971 SRFIRESHMFOFKC-UHFFFAOYSA-N 367.796 3.419 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1)(c1ccc(F)cc1)O2 587385111 RDNLWBISUUJSTR-HXUWFJFHSA-N 351.381 3.474 0 1 FGAF COc1ccc2[nH]c(C(=O)O)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397690 YSFZFWAJSJSDGW-MRXNPFEDSA-N 366.373 3.472 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCSCC3)nc1)O2 587412351 AORCJWUMTGABEI-KRWDZBQOSA-N 355.463 3.232 0 1 FGAF CCCc1nc(-c2nc3nc(OC)ccc3[nH]2)nn1-c1ccccc1F 587155640 NGSYYZLCHKSHDG-UHFFFAOYSA-N 352.373 3.306 0 1 FGAF Cc1nc(COc2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cs1 587020600 VZWJDUKCYNWJJG-UHFFFAOYSA-N 371.447 3.358 0 1 FGAF CN(C)CCOc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587021363 JHAPVZNHBWQBRM-UHFFFAOYSA-N 368.466 3.027 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CN(Cc3ccccc3)CCO1)O2 587395538 OCTBSLHZWVPWNI-IRLDBZIGSA-N 366.461 3.202 0 1 FGAF COc1ccc2c(c1OC)[C@]1(CCC[C@H]1C(=O)C(F)F)N(C)[C@H](C)C2 962634534 ULUAAQVMQJSDEJ-RGIROJJOSA-N 353.409 3.410 0 1 FGAF CCN1CC(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 218274952 ALSUALXMUDUBLA-SNVBAGLBSA-N 371.264 3.105 0 1 FGAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 5920311 QZIGLSSUDXBTLJ-NNPSNHGLSA-N 352.452 3.085 0 1 FGAF endogenous,world C[C@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc2O1 12472373 QZEZNMUOSGMGOE-WPRPVWTQSA-N 374.673 3.120 0 3 FGAF CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2CCc1ccccc1 169721497 GWAFSBDBGNULGN-UHFFFAOYSA-N 364.357 3.016 0 1 FGAF CC(C)C[C@H]1NC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727262 IZDXXXQMBXLHDT-QZTJIDSGSA-N 356.466 3.403 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2)nc2ccccn12 1857608663 KKJKUQXLIMACIH-UHFFFAOYSA-N 356.813 3.380 0 1 FGAF COc1ccc(C2=NN(CCC(=O)N[C@@H]3CCCC[C@@H]3C)C(=O)CC2)cc1 4712727 FUJTXGXNXRHXLQ-MAUKXSAKSA-N 371.481 3.107 0 3 FGAF Cc1nc2cc3c4c(cccc4c2s1)C(=O)N(CCCN(C)C)C3=O 28476305 VCZZAOHJQIOVKN-UHFFFAOYSA-N 353.447 3.306 0 1 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@H]1CC(=O)CCC[C@](C)(OC[C@@H]2C)[C@@H]3O1 58566834 ARTZUUBHXRPSMO-JXHKHQSESA-N 364.482 3.142 0 1 FGAF Cc1cc(C(=O)N2CC[C@]2(C)C(=O)Nc2cccc3ccccc23)nn1C 61926493 DWCOXAGDDVXBKY-OAQYLSRUSA-N 362.433 3.125 0 3 FGAF COc1ccc([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)cc1OC 103282673 NGHYVCYSFLWCEK-YLJYHZDGSA-N 355.434 3.176 0 1 FGAF CN1CCN(C(=O)[C@H]2CCc3cccc4c5c(n2c34)CCCCC5)CC1 28105922 LHRXVLGBJCNBGZ-HXUWFJFHSA-N 351.494 3.172 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)[C@H](O)C[C@@H]2[C@H](C=C1C)OC(=O)[C@@H]2C 2356617323 XVMRFXLOVBJZJH-CUKVJSKASA-N 350.455 3.169 0 1 FGAF COc1ccc([C@H](O)[C@H](CO)CC=Cc2ccc(OC)c(OC)c2)cc1 2356758923 SHDASTAWVAKOSS-UWJYYQICSA-N 358.434 3.458 0 1 FGAF Clc1ccc(Nc2nc(NCCCN3CCOCC3)ns2)cc1 33454422 XEENPVWNGXJSIV-UHFFFAOYSA-N 353.879 3.069 0 1 FGAF C[C@H]1CCN1c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210799164 MWPHVCYXTHGNOU-QWHCGFSZSA-N 350.426 3.439 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 71755601 XEYBRNLFEZDVAW-GRIBJOHYSA-N 352.471 3.251 0 1 FGAF COc1cc2c(cc1O)[C@@H](CCc1cc(O)c(OC)c(OC)c1)N(C)CC2 14858348 GZUNPCNPOLOTLX-MRXNPFEDSA-N 373.449 3.285 0 1 FGAF biogenic O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 35841678 NTZARIWVZSIQHA-HNNXBMFYSA-N 367.430 3.312 0 1 FGAF CCCCCC[C@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 85593591 UELDUQRKWMQXCM-XLIONFOSSA-N 362.422 3.016 0 1 FGAF biogenic,in-vitro CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)ncc2[nH]1 587040685 ABUDVVBQEKSKJH-JTQLQIEISA-N 369.288 3.341 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1C(N)=O 587868452 LMYHLLUTGMEUCT-UHFFFAOYSA-N 362.311 3.061 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 587232238 UQYTZDXWSAXZHW-RYUDHWBXSA-N 365.861 3.261 0 1 FGAF N=c1[nH]ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586999077 URVTXAAHKZGUOU-UPHRSURJSA-N 359.183 3.032 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCC(=O)O)c2c1 587649341 HZXATOSTAJAPHH-UHFFFAOYSA-N 361.394 3.395 0 1 FGAF N=c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c[nH]1 587001102 LFYJVFHWPPVOSN-UPHRSURJSA-N 373.210 3.075 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)sc(=O)n4C)[C@@H](C2)C3=O 587450608 GQKCMWMYELGXJX-KPZWWZAWSA-N 353.399 3.097 0 1 FGAF Cc1onc(-c2nc3c(O)nncc3[nH]2)c1COc1ccc(Cl)cc1 587076382 RRSVATPGETWBTC-UHFFFAOYSA-N 357.757 3.254 0 1 FGAF CCOC(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597255 QJWKSRLBSJRVOE-GHTZIAJQSA-N 368.385 3.456 0 1 FGAF O=C(O)c1cc(F)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040629 INKIIKBWRXAKGB-CABCVRRESA-N 357.410 3.347 0 1 FGAF CCOC(=O)C[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598767 VGSAXUHONLRKAE-FXAWDEMLSA-N 356.374 3.456 0 1 FGAF O=C1C[C@]2(CS(=O)(=O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587530994 HTOSKMYCZJRLAF-HXUWFJFHSA-N 370.426 3.148 0 1 FGAF COC(=O)[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441434 SZNWYDMKSBDGLX-RBOBLBHYSA-N 368.385 3.124 0 1 FGAF CC(C)c1nn(C)c2c1[C@H](c1cccc(O)c1Br)NCC2 962917031 YPFFVKHNEDAKFM-INIZCTEOSA-N 350.260 3.247 0 1 FGAF C[Si](C)(C)c1cc2ncc([C@@H]3c4ccsc4CCN3C(N)=O)cc2o1 962719445 WRNXDVAASJAYFI-QGZVFWFLSA-N 371.538 3.461 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1cc(C)cc(C)n1 963185875 JDJMHJWATJBCPL-NRFANRHFSA-N 368.477 3.456 0 1 FGAF CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 12459647 YFHCNIXNSQDCTN-QGZVFWFLSA-N 371.506 3.196 0 3 FGAF CC[C@@H]1C/C=C/Cc2ccccc2[C@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 169341262 GQHJEOPNYJIXRG-NDKKJBSDSA-N 358.434 3.099 0 1 FGAF COc1ccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 1857562526 DMONOVWBBJCHRW-QGZVFWFLSA-N 370.430 3.043 0 1 FGAF Nc1c(CC(=O)O)cc(F)cc1C(=O)c1ccc(Br)cc1 28770511 BMQRFFMZGXXELN-UHFFFAOYSA-N 352.159 3.029 0 1 FGAF O=C(NCc1ccccc1)N1CCN(c2cncnc2-c2ccccc2)CC1 584620783 XDFGTBKVZFIKBE-UHFFFAOYSA-N 373.460 3.175 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H]1[C@@H](C)C3=CC(=O)O[C@@]3(O)C[C@H]12 2356335680 CXVQWAXJRDNQFX-UNUMEIAJSA-N 362.466 3.210 0 1 FGAF Cc1nccc2[nH]c(=O)c(C(=O)NCCCSC3CCCCC3)cc12 3061780 CHFVYCGNSSYEMX-UHFFFAOYSA-N 359.495 3.417 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1 4257400 QVPKGYDQHRFNDU-UHFFFAOYSA-N 354.435 3.243 0 1 FGAF COc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1Br 8463348 ROQOJPXNKLSKOS-HXUWFJFHSA-N 372.269 3.098 0 1 FGAF CC(C)NC[C@H](O)COc1ccc(OCCOCCc2ccccc2)cc1 29339681 FKOFOQSLZJGJHP-FQEVSTJZSA-N 373.493 3.062 0 1 FGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1OC(=O)[C@](C)(O)[C@@H]12 118936955 OCPGSVYCKLXPSO-FVVVGZFNSA-N 362.510 3.293 0 1 FGAF endogenous,in-man CNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1 170058130 NXRUAFQDCAAIQD-UHFFFAOYSA-N 359.210 3.343 0 1 FGAF C[C@H](NC(=O)COC(=O)c1ccc2ccccc2n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101496975 NMAMANILFJYJBL-ABFRBSLYSA-N 352.434 3.333 0 1 FGAF O[C@H]1CCCC[C@H]1N1CCC(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 28234889 IJSVCSABISGUBT-CZYKHXBRSA-N 364.574 3.017 0 1 FGAF C[C@@H]1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1 117365000 JMSHIEXDPIOMCA-CYBMUJFWSA-N 373.472 3.239 0 1 FGAF Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1 64744205 WZQDEYWNUPXXDO-UHFFFAOYSA-N 361.493 3.410 0 1 FGAF in-vitro Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl 64593862 GTFOCOKDGPLBEK-UHFFFAOYSA-N 350.827 3.334 0 3 FGAF Cn1c(NCCN2CCCC2)nc2cc(-c3ccccc3)sc2c1=O 61897165 QHDPTNRBRSDAOO-UHFFFAOYSA-N 354.479 3.170 0 3 FGAF COc1ccc(OC)c(CSc2nc3ccccc3n2CC(=O)O)c1 84654048 CLFNNVXSAZOXIZ-UHFFFAOYSA-N 358.419 3.430 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1 225560787 JETOTGVLWGJRBX-UHFFFAOYSA-N 367.453 3.422 0 1 FGAF CN1C(=O)CC(C)(C)[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565369 VVWMBHKNRDAODD-ZDUSSCGKSA-N 362.779 3.232 0 1 FGAF Cc1nc2cccnc2n2c(-c3cc(OC[C@@H](C)O)ccc3Cl)nnc12 145709063 VOEFMCIEHPUNPS-SNVBAGLBSA-N 369.812 3.061 0 1 FGAF COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1CC2)OCO3 34742931 AWWKRYDPJVJCSQ-UHFFFAOYSA-N 355.434 3.206 0 1 FGAF biogenic Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C 587579966 WKUXORHSDGHWIN-LPHOPBHVSA-N 350.374 3.445 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587052303 NEIBENDYXDMYMD-CYBMUJFWSA-N 371.803 3.489 0 1 FGAF CN1CCC(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580851 FEJGQGALIBPODP-MOPGFXCFSA-N 353.418 3.454 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573120 RQTVUECVZCDXRO-DYESRHJHSA-N 369.417 3.273 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cncc(NC(C)=O)c1 587870151 ASMMUEBUGUFVTQ-UHFFFAOYSA-N 368.368 3.130 0 1 FGAF CCOC(=O)[C@@H](Cc1ccccc1)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443079 SYCYESUCXILKNO-LLGFUMIMSA-N 366.413 3.233 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586962337 QJQKEJBLLJBQEN-LURJTMIESA-N 371.344 3.393 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587004816 YUOSYYURUBGSFN-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF COC(=O)C1(C)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595275 QUGJOLWSCARJJD-VMEOHVCESA-N 354.358 3.066 0 1 FGAF O=C1C[C@@H](Cc2nc3cccnc3[nH]2)c2c(Br)cccc2O1 587004041 QBIUFKZMOGNCOE-SECBINFHSA-N 358.195 3.356 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@]3(CC(C)(C)Oc4ccc(O)cc43)c3cccc1c32 963022459 JGUTUXRWJBKZDV-XMHCIUCPSA-N 364.445 3.250 0 1 FGAF COc1ccccc1CN1C[C@@H](C(=O)NCCC2=CCCCC2)CCC1=O 12030250 BMTANVMPYONXKO-IBGZPJMESA-N 370.493 3.441 0 3 FGAF c1ccc(OCCCN2CCN(c3cccc4c3OCCO4)CC2)cc1 13738297 MGJHNFLQWCBSPN-UHFFFAOYSA-N 354.450 3.049 0 1 FGAF OC[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1 14947995 HVGKQQZVAZKEBO-AWEZNQCLSA-N 354.385 3.289 0 1 FGAF O=S(=O)(Cc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](CF)C2 14951656 PDEBFUNTIYAZQV-INIZCTEOSA-N 353.846 3.298 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 15267005 GLVOOJKVWKZSGR-DIEDAUMRSA-N 358.390 3.399 0 1 FGAF O[C@@H](CNCCOc1c(Cl)cccc1Cl)COc1ccccc1 169325885 XNWMVLYZATTYMC-ZDUSSCGKSA-N 356.249 3.402 0 1 FGAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168075794 LNTUHOJEDYMHPB-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccc(Br)cc1 103211472 ZXXWFOKUAAHWOX-UHFFFAOYSA-N 369.244 3.158 0 1 FGAF CN1[C@H]2CC[C@@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)[C@H]1CC2 111481736 LSJGAYNIIMEDLR-VAMGGRTRSA-N 351.446 3.091 0 1 FGAF O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCN1CCCCC1 28570722 RQCBDGLXRFZHPF-UHFFFAOYSA-N 368.481 3.126 0 1 FGAF O[C@H](CCN1CCN(c2cccc(Cl)c2)CC1)COc1ccccc1 29486355 IJLQQXLPJCRIQU-LJQANCHMSA-N 360.885 3.292 0 1 FGAF NC1=N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1CCCCCC(=O)O 34948816 RRIUOHGQLUNAMR-NRFANRHFSA-N 371.481 3.264 0 1 FGAF O=C1Nc2nc(NC3CCC(O)CC3)ncc2CN1c1ccccc1Cl 34009239 NSHBSERFNQQOCC-UHFFFAOYSA-N 373.844 3.398 0 1 FGAF in-vitro CN[C@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(SC)c(=O)cc21 32290126 HBAVCIOPEHPYAX-AWEZNQCLSA-N 373.474 3.365 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC[C@H]3C)c2cn1)c1ccccc1 210799291 MWPHVCYXTHGNOU-CHWSQXEVSA-N 350.426 3.439 0 1 FGAF COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3cccs3)c2)n1 74387565 UXXKQGQJPYJAGU-UHFFFAOYSA-N 356.451 3.067 0 1 FGAF COc1ccc(Cn2cnc3cnc(-c4ccc(N)nc4)cc32)cc1OC 74388743 QBQJUPAGTYLGHE-UHFFFAOYSA-N 361.405 3.141 0 1 FGAF C=CCc1cc2c(cc1O[C@]13C[C@@H](CC=C)C(=O)C=C1OCO3)OCO2 13453970 TXLALJSADHIRMA-JLTOFOAXSA-N 356.374 3.272 0 1 FGAF biogenic COc1ccc(/C=C/n2ncc(Cl)c(Cl)c2=O)c(OC)c1OC 84653417 LPXWPEBUFOGYNG-VOTSOKGWSA-N 357.193 3.204 0 1 FGAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@@H]1CCOc2ncsc21 220871130 IWRHDVLEQXHPER-SNVBAGLBSA-N 373.261 3.125 0 1 FGAF O=C(O)[C@@H](Cc1ccccc1)Nc1nc(Cl)ncc1Br 82060731 NIFWKAWBRBQGSP-SNVBAGLBSA-N 356.607 3.000 0 1 FGAF Cc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)n[nH]1 84740048 UOHJGIQDKUHCQV-UHFFFAOYSA-N 374.246 3.064 0 1 FGAF in-vitro O=C1CS[C@@H](c2ccccn2)N1c1nnc2c3ccccc3nc-2s1 98083748 MEEVDZZYSVIVSP-INIZCTEOSA-N 365.443 3.365 0 1 FGAF CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473088471 OECCYADAHVOGFD-UHFFFAOYSA-N 361.369 3.430 0 1 FGAF Cc1sc(=N)[nH]c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610421 FURVPDAKGGDYRY-LIRRHRJNSA-N 368.414 3.447 0 1 FGAF CCOC(=O)C[C@@]1(c2cncn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587515056 ITOZZBVWJZZPRK-OAQYLSRUSA-N 368.433 3.113 0 1 FGAF NS(=O)(=O)Cc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586930904 VGBMPHXBCWXYMO-UHFFFAOYSA-N 373.331 3.176 0 1 FGAF N=c1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c[nH]1 587019678 UDQUBWYTDCQNLW-UHFFFAOYSA-N 365.422 3.062 0 1 FGAF CN1CCN(c2ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)CC1 587162936 HLZXZUJCCMZZHT-HXUWFJFHSA-N 367.472 3.105 0 1 FGAF N[C@@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]1c1ccccc1F 587155647 JLWUSBPMQAFMMB-WJWGPLDTSA-N 371.725 3.457 0 1 FGAF COC(=O)[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398104 BNACTQLKAKFKSB-KZULUSFZSA-N 355.390 3.224 0 1 FGAF CCOC(=O)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595576 KZIJHMIYQUYGCT-GQNMWPQZSA-N 368.385 3.456 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCCCC[C@H]2C(=O)C(F)(F)F)N1 962904924 OCRCHIBXIXTDDD-PLQHRBFRSA-N 373.346 3.332 0 1 FGAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1 13601627 VBUOLEIWYQSODK-HXUWFJFHSA-N 373.387 3.371 0 1 FGAF COc1cc(-c2c(OC)cccc2OC)cc2c1OCCN(C(C)=O)C2 14992189 BBOCUTUCGLNDJQ-UHFFFAOYSA-N 357.406 3.120 0 1 FGAF O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCc2ccccc21 4959005 QNSQOFHAUFGZRF-UHFFFAOYSA-N 373.334 3.005 0 1 FGAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCCc1ccccc1 27105672 HKXOMVCYJYNHNG-SFHVURJKSA-N 372.509 3.122 0 1 FGAF CCS(=O)(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 58583294 DYDMXFOQXGIGRP-UHFFFAOYSA-N 362.432 3.449 0 1 FGAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 29347897 OGOUAXMAWANZPL-BZSNNMDCSA-N 351.450 3.013 0 1 FGAF CN1O[C@](C)(CC(=O)NCc2ccccc2F)N=C1c1ccccc1F 74373612 RTIHUINUIMZTNR-LJQANCHMSA-N 359.376 3.011 0 3 FGAF CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(Cl)cn3)cc2C1 35825461 IYPRGGZMVDCNQR-INIZCTEOSA-N 350.871 3.197 0 1 FGAF CO[C@@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 13411691 UUUXPUGZNDRYSV-VWKPWSFCSA-N 370.401 3.164 0 1 FGAF biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1[C@H](O)C=C2C1=CC(=O)OC1 257475564 LOUCJBIZSPLEFL-NFBYKXHFSA-N 372.505 3.380 0 1 FGAF endogenous,in-man COc1cc(-c2cc(=O)c3c(O)c(C)c(O)c(C)c3o2)cc(O)c1OC 59735611 XUDRGVRVQBMMIB-UHFFFAOYSA-N 358.346 3.211 0 1 FGAF biogenic CCOC(=O)/C(=C\I)[C@@H](O)c1ccccc1Cl 299830552 IOIAAHMENGXUPI-DVBBHNHCSA-N 366.582 3.255 0 1 FGAF NC(=O)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005130 OLZPTBOIUDYKEB-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF CC(=O)N[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340919 WDGTZFUNIXERDT-RTXGADQUSA-N 357.381 3.174 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cn1 587245525 VDPJGAAGNWUXDR-UHFFFAOYSA-N 372.450 3.013 0 1 FGAF COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Cl 586950840 DOYVWPWRUYWVCL-UHFFFAOYSA-N 372.859 3.028 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587450023 CORWJMGIIQUYRT-XTNUZHGASA-N 368.385 3.398 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(OC)cc21 587478323 APHWFSRVUXTSMC-HXUWFJFHSA-N 353.374 3.166 0 1 FGAF N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 586996313 DUXKMKNRORRDHM-CQSZACIVSA-N 360.255 3.103 0 1 FGAF COc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1C 587194196 OADIUWMVSDDJBT-ZDUSSCGKSA-N 362.474 3.397 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CC2)OCCO1 587612502 VHTUUIOHQQISHN-KRWDZBQOSA-N 368.385 3.410 0 1 FGAF COC(=O)c1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c1OC 587925476 BEVBUTIRFVKIGL-UHFFFAOYSA-N 372.377 3.051 0 1 FGAF Cc1ccccc1-c1nc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)co1 963524152 JBMBHXHCSMFUDM-KXBFYZLASA-N 364.401 3.352 0 1 FGAF COC(=O)C[C@H]1CCCC[C@@]12NCCc1cc3cccc(OC)c3nc12 963050376 CVWKLDBFDWVFOD-IIBYNOLFSA-N 354.450 3.338 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(CCCC[C@H]1C(=O)C(C)(C)C)N[C@H](C(=O)O)C2 963527564 PSCIXYKAIQKXGV-GXZWQRSESA-N 359.466 3.300 0 1 FGAF O=C1CS[C@@H](c2ccc(Br)cc2)N1c1nnc(S)s1 1857760976 SHTOYDIRPMQICJ-VIFPVBQESA-N 374.310 3.368 0 1 FGAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc(Cl)cn1 13746131 DQDAIFUYYLPMLD-XMMPIXPASA-N 360.870 3.295 0 1 FGAF O=C(c1cccc(F)c1F)N1CCn2nc(COc3ccccc3)cc2C1 168074834 CHMJUQFCWYSNMM-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF CC=CCCC(=O)C[C@H](O)CCO[C@]1(CCC=CC)C[C@@H](O)CCO1 2356335089 SRMFPPPFRLKNNH-AABGKKOBSA-N 354.487 3.293 0 1 FGAF CCc1ccc(CNC(=O)CN2C(=O)[C@@H](CC)Oc3ccccc32)cc1 4686961 YRGLOPZUGZTVNQ-GOSISDBHSA-N 352.434 3.069 0 1 FGAF CCC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)cc2C[C@H]1C 6730199 LGIGEQRVHXOBOR-VBQJREDUSA-N 364.511 3.231 0 1 FGAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@@H]1N2C 100837671 WPSZKOIIDITBPV-RQMZHTQNSA-N 358.265 3.094 0 1 FGAF CC(C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 8235647 SIZHWMVJGCSDCD-QUCCMNQESA-N 359.429 3.162 0 1 FGAF biogenic CC[n+]1ccc(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28461750 SNRGQBSLWSCUGI-FQEVSTJZSA-N 358.483 3.230 0 1 FGAF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)cn1)CC2 115608604 MCPRPFWJSZDYBF-HNNXBMFYSA-N 370.340 3.223 0 1 FGAF c1ccc(CSc2nc3ccccc3n2CCN2CCOCC2)nc1 26002569 DMGJZERTPSKNDW-UHFFFAOYSA-N 354.479 3.056 0 1 FGAF Cc1ccc(/C=C2\CNC[C@@H]3[C@@H]2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 103231017 YQCQZYAJJOSYON-NNQJHPCXSA-N 363.530 3.494 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@@H](C(=O)OC)[C@H]2Cc1c3[nH]c2ccc(OC)cc12 2356524266 XFNCEOVSEPVUBT-CODKJTEISA-N 352.434 3.213 0 1 FGAF CCCCC[C@H](O)CC[C@H]1[C@H](CC=CCCCC(=O)O)[C@H](O)C[C@H]1O 2356560972 LLQBSJQTCKVWTD-LTFXXXRZSA-N 356.503 3.267 0 1 FGAF O[C@H]1CC(CNCc2cccc(Cl)c2)(COc2ccccc2)C[C@@H]1O 2356697233 AYUIEWAXGREMNN-OALUTQOASA-N 361.869 3.011 0 1 FGAF O[C@@H]1CC(CNCc2cccc(Cl)c2)(COc2ccccc2)C[C@H]1O 2356697235 AYUIEWAXGREMNN-RTBURBONSA-N 361.869 3.011 0 1 FGAF COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)c1F 61896668 AASVGDGLRQSYSY-FQEVSTJZSA-N 358.413 3.451 0 3 FGAF COc1cc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)ccn1 1911573031 OTZBVSYFFJQWRC-TXEJJXNPSA-N 356.451 3.376 0 1 FGAF COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccco2)n1 82142130 UNNTVLJCTZWUPI-UKRRQHHQSA-N 358.442 3.103 0 1 FGAF COc1cccc(OC)c1CNc1ncnc2c1ncn2[C@H]1CCCCO1 40828790 GZAWIXXSUKWZDV-MRXNPFEDSA-N 369.425 3.155 0 1 FGAF CSc1nccc(-c2c(-c3ccc(F)cc3)nc3nc(N)ccn23)n1 136156646 BVOXXCFSYHFTLW-UHFFFAOYSA-N 352.398 3.297 0 1 FGAF COc1cc(OC)c2c(c1)O[C@H](c1c(OC)cccc1OC)[C@@H](OC)C2=O 238734049 SYLLBZVMSOPMCI-UXHICEINSA-N 374.389 3.052 0 1 FGAF CCSC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2c(N)ncnc21 473107056 HFFXPMNWWOGMNX-LBPRGKRZSA-N 361.858 3.239 0 1 FGAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 586878975 GHAMPRBXXIRSEL-UHFFFAOYSA-N 362.345 3.105 0 1 FGAF COc1nccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029605 QSCNTBSSBQGUIC-UHFFFAOYSA-N 362.418 3.488 0 1 FGAF Oc1nc(O)c2cc(CC3OCCCO3)c(-c3cccc(Cl)c3)nc2n1 587368176 CYGYLKYPDFDUIC-UHFFFAOYSA-N 373.796 3.062 0 1 FGAF COC(=O)CC1(O)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587529174 KGNCEZPDGGILGW-UHFFFAOYSA-N 358.434 3.138 0 1 FGAF O=C1Nc2ccccc2O[C@@H]1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876697 WCVFBWVVRHXYNR-MRXNPFEDSA-N 365.320 3.225 0 1 FGAF O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1 586924243 MOWBZFZUKOJKNM-VOTSOKGWSA-N 353.325 3.421 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587230921 JVASGKAZXXJCHC-KBPBESRZSA-N 358.486 3.292 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593528 KDDRCPOSQUHVOL-PKEAVRCTSA-N 351.402 3.349 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(Cc1nc(-c4ccccc4)no1)[C@@H](C2)C3=O 587437178 FGVWYSQVMRCRDI-YCRPNKLZSA-N 362.385 3.494 0 1 FGAF COC(=O)c1occc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614982 DZJIGSKCQHBMAE-QAPCUYQASA-N 366.325 3.475 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)C(F)(F)C1 587132242 NYVPRSGBFMJGGR-VIFPVBQESA-N 367.352 3.261 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ncccc1C)CC2=O 587488677 RLKDUIDBNRKGOJ-NRFANRHFSA-N 369.417 3.472 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@@]12C=COc1cc(O)ccc12 961316897 DDYSTPKLJRZCLI-QFIPXVFZSA-N 367.445 3.445 0 1 FGAF COc1ccc(CCN(C)c2cc(-c3ccccc3)nc3ncnn23)cc1 1772656360 WDTPFALQMBVBSA-UHFFFAOYSA-N 359.433 3.479 0 1 FGAF NCCCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 13589300 VRSUHNZDRAPKFD-INIZCTEOSA-N 359.451 3.067 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@H]1N2Cc1ccccc1 13765005 MFSFKJAYNZMHEN-PZJWPPBQSA-N 351.450 3.344 0 1 FGAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccs4)c(=O)n1c23 1857610332 QPSRYQNRJRMKHT-SNVBAGLBSA-N 372.421 3.345 0 1 FGAF Cc1ccc2nc(-c3ccccc3)c(OCCCN3CCN(C)CC3)n2c1 1857744043 IYIGSZNDJMXISC-UHFFFAOYSA-N 364.493 3.326 0 1 FGAF CCCCC[C@H](O)C[C@H](CCc1cc(OC)c(O)cc1CO)OC(C)=O 2356428164 ZZYCHYCROSQANS-ROUUACIJSA-N 368.470 3.089 0 1 FGAF COc1ccc2oc(N3CCN(Cc4ccccc4)CC3)cc(=O)c2c1 103073931 ZRJFEXLWBNZPJQ-UHFFFAOYSA-N 350.418 3.124 0 1 FGAF CN(C)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116192939 ULTZAPHRZBZYHB-LJQANCHMSA-N 366.421 3.201 0 1 FGAF CNC(=O)c1ccc2cc([C@@](O)(c3c[nH]cn3)C(C)C)ccc2c1Cl 66066328 APPKRPXUNINZJS-LJQANCHMSA-N 357.841 3.468 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 14684689 APXKYALORJTRLL-GBESFXJTSA-N 354.402 3.407 0 1 FGAF biogenic COCOc1ccc(-c2cc(=O)c3c(O)cc(OCOC)cc3o2)cc1 15974667 OZHSNSQCAVMKSS-UHFFFAOYSA-N 358.346 3.131 0 3 FGAF biogenic CC[C@@]12C[C@@](C)(O)[C@](O)(c3nccs3)C[C@H]1CCc1cc(O)ccc12 98203616 JJKRJVYCNAXILF-LMFCIFFHSA-N 359.491 3.492 0 1 FGAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1 299822786 DGODHYWQAXDKTG-UHFFFAOYSA-N 359.445 3.455 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H](COc2ccccc2C(=O)O)COC1(C)C 2178319973 QVCBOTYSTSGALS-LBPRGKRZSA-N 351.399 3.136 0 1 FGAF CC(C)[C@@]1(Cn2cncn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760024 NSKVALDQNIYNGN-MEDUHNTESA-N 367.266 3.265 0 1 FGAF O=C(O)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F 587038784 BRGBMGHCQAFVTP-CVEARBPZSA-N 357.410 3.347 0 1 FGAF COC(=O)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 587007154 MWWDVUZJZOAKTF-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C)c(O)n1 587865888 NPXCNUAVDHFPHW-UHFFFAOYSA-N 365.315 3.156 0 1 FGAF Nc1ncnc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc12 587138511 LINSSESXPUMHTJ-UHFFFAOYSA-N 367.315 3.246 0 1 FGAF COCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 587409809 UKHDSZBUUOMWLX-QGZVFWFLSA-N 371.389 3.038 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)CSC)[nH]c2c1 586968739 IJKNBKFPBHKYHE-UHFFFAOYSA-N 355.529 3.234 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)c1 586923135 ZGEZFMHWYRUSSC-UHFFFAOYSA-N 353.806 3.135 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccnc(Cl)n3)nc1C)O2 587380201 QQYFQSUODIQFTN-HNNXBMFYSA-N 369.812 3.221 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ncnc4[nH]3)cc2N1 587126639 LSMOXIDIWUPGFA-CAHLUQPWSA-N 357.727 3.177 0 1 FGAF FC(F)(F)c1c[nH]c2nccc-2c1[C@H]1NCCc2nc3ccccn3c21 962998297 UTIGSZAEAVEFOR-OAHLLOKOSA-N 357.339 3.416 0 1 FGAF O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccccc1 13612803 VFZJWGUZPSGDFP-UHFFFAOYSA-N 365.433 3.246 0 1 FGAF CCc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651151 ULJXODXJWGKJLI-HXUWFJFHSA-N 361.465 3.177 0 1 FGAF CC[n+]1c(C)ccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651182 GARHFFMYHNNGDB-NRFANRHFSA-N 361.465 3.406 0 1 FGAF CC[C@@H](CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)OC 167112335 VZDKIYYJBVBNJD-IBGZPJMESA-N 367.449 3.389 0 1 FGAF C[C@@H]1N[C@H](C2CCC(CCCCC[C@@H](O)CC(=O)O)CC2)CC[C@@H]1O 2356308319 LCYHJMKSXUPWHT-PGNHTBHQSA-N 355.519 3.080 0 1 FGAF CCCn1c2nc(C34C[C@H]5CC3C[C@@H](C5)C4)nc-2c2n(c1=O)C[C@@H](CC)N2 104935208 KSNFSPWAGPTPTM-WSHKIENLSA-N 367.497 3.236 0 1 FGAF O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 28013269 FVDZPSYIYQITNI-HNNXBMFYSA-N 355.463 3.297 0 1 FGAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@@H](O)CC=C[C@H]1CC=CC(=O)O1 2356575783 BEDZJNMPIDRDAK-SLFFLAALSA-N 356.418 3.201 0 1 FGAF N=C(N)c1cccc(Oc2cc(Oc3ccccc3C(=N)N)ccc2N)c1 29465281 KYXWBAVECHVHOH-UHFFFAOYSA-N 361.405 3.422 0 1 FGAF CCN1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3s2)CC1 61943421 POFDTDVPBJCDHM-UHFFFAOYSA-N 355.463 3.236 0 3 FGAF CN(C)CCCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66166223 NDTZWKQJAKGEQU-UHFFFAOYSA-N 350.422 3.389 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@@H]1O 15150792 ZVEDKPGZOXEGTK-QRVBRYPASA-N 354.358 3.421 0 1 FGAF biogenic O[C@@H](CO[C@H]1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1 219722423 QRQUUBYCEQWSIG-PKTZIBPZSA-N 366.505 3.091 0 1 FGAF COc1cc2c3c(-c4ccc(O)cc4)c[nH]c(=O)c3n(C)c2cc1OC 40861952 JIYDBXONPAAZPB-UHFFFAOYSA-N 350.374 3.410 0 1 FGAF COCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccco1 82142830 INPWHJQSVZUFHA-UHFFFAOYSA-N 358.442 3.105 0 1 FGAF CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCC(=O)O 43071943 YJEAFIXGOUHZFP-ALCCZGGFSA-N 354.491 3.171 0 1 FGAF O=C1CN(S(=O)(=O)c2cccc3cccnc23)c2cc(Cl)ccc2N1 40974498 DRGJTVZIKQLAQC-UHFFFAOYSA-N 373.821 3.036 0 1 FGAF COc1cc2c(c(O)c1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 238748624 FVKQQESWEIAWCO-UHFFFAOYSA-O 368.409 3.090 0 1 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253634581 GIZCUFCOBVPITN-BWEVDEMYSA-N 355.478 3.062 0 1 FGAF Cc1nc([C@@H]2CCN(Cc3ccccc3OCC(=O)O)C2)c2sccn12 618016854 OLTRKWRGUIBVNE-OAHLLOKOSA-N 371.462 3.157 0 1 FGAF CCCCC[C@H]1C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O1 85980795 PENUWXDRGVMHGY-XLAORIBOSA-N 372.502 3.266 0 1 FGAF biogenic Oc1nc2sccc2c(N[C@@H]2CCNC2)c1-c1nc2ccccc2[nH]1 299833493 YGJNBROANRKOFK-SNVBAGLBSA-N 351.435 3.319 0 1 FGAF CCCN1C(=O)N(c2ccccc2CC)C(=O)[C@]12OC(=O)c1ccccc12 653847633 GGNZZKQMVDODIV-NRFANRHFSA-N 364.401 3.451 0 1 FGAF COc1cccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587931979 QDEKLRMLAPBVMJ-UHFFFAOYSA-N 370.352 3.456 0 1 FGAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ncnc2[nH]1 587033913 CJXNAERAPHLMTA-LLVKDONJSA-N 366.450 3.421 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nc2)N1 587773694 RHOCWRFDDZVCJN-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CCOC(=O)c1ccccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963020198 GAIUTXSYBXDPIZ-RNODOKPDSA-N 350.418 3.006 0 1 FGAF Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccoc2)cc1 11664692 TWQIKKMGZPTLOC-IBGZPJMESA-N 350.422 3.377 0 1 FGAF COc1ccccc1N1CCN(CC[C@H]2Cc3ccccc3C2=O)CC1 13471617 DBDYIVMHUJEXJP-SFHVURJKSA-N 350.462 3.263 0 1 FGAF CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 13588477 MGLDVKZQWXSLKY-YBEGLDIGSA-N 356.447 3.180 0 1 FGAF CC(=O)N1[C@H](C(=O)c2c[nH]c3ccccc23)CS[C@@H]1c1cccnc1 13737563 NXJGZRBSYANVNT-PKOBYXMFSA-N 351.431 3.408 0 1 FGAF CCCCc1n[nH]c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13832220 YWRJJHOZZYOYFD-UHFFFAOYSA-N 351.406 3.328 0 1 FGAF Cc1nc2cc(-n3ncc(C(=O)c4cc5c(F)cccc5[nH]4)c3N)ccc2[nH]1 150046812 CLPXGKIBPZOTAS-UHFFFAOYSA-N 374.379 3.491 0 1 FGAF O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccc(F)cc3)cn12 203688256 TXCXBISTRCTDQM-UHFFFAOYSA-N 353.328 3.342 0 1 FGAF COc1ccc(-c2ccc(C(F)(F)F)nc2)nc1CN[C@@H](CO)C(C)C 204411983 PTFWQCZTDXPITC-HNNXBMFYSA-N 369.387 3.278 0 1 FGAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 1758531 SWMLFRMOWVYIDT-AICBGKJRSA-N 362.510 3.135 0 3 FGAF Cn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc21 4238297 MFCVTOZDAXRWKS-UHFFFAOYSA-N 358.401 3.301 0 1 FGAF CCCCONC(=O)c1cn(C)nc1OCc1cccc(C(F)(F)F)c1 103275107 BLUCEQPPKQKDRY-UHFFFAOYSA-N 371.359 3.479 0 1 FGAF COCc1cc(=O)[nH]c(-c2ccc(CN3CCC[C@H]3C(F)(F)F)cc2)n1 23214057 JYJAFYDQTKPOCK-HNNXBMFYSA-N 367.371 3.110 0 1 FGAF NCC(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28826988 APORIKJNLVVUNX-SFHVURJKSA-N 360.350 3.245 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H]1N2C 26383934 SUYCPJVAABOKNP-UNMCSNQZSA-N 365.477 3.387 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)OC 2356666373 WGCXTGBZBFBQPP-JPLJXNOCSA-N 366.498 3.340 0 1 FGAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCCc2ccccc21 36389196 AUKNNPICRLBOQA-UWJYYQICSA-N 360.450 3.467 0 3 FGAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C(C)=O)CC2)OCO4 14612191 FPCILIQUFLZBRY-OAHLLOKOSA-N 367.401 3.101 0 1 FGAF biogenic COC(=O)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1 45352527 SONYNSGGFBITQQ-NRFANRHFSA-N 362.429 3.400 0 1 FGAF OCCCN1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 40812385 VMDZTXYBZFAUKK-UHFFFAOYSA-N 374.488 3.081 0 1 FGAF CCCCCCOc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 96901936 GEKSWNZJJBVMRC-UHFFFAOYSA-N 366.889 3.304 0 1 FGAF CS(=O)(=O)N1C[C@@]2(CCN(CC3CCCCC3)C2)Cc2ccccc21 299852711 WPJDKBUYOICVCU-FQEVSTJZSA-N 362.539 3.281 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(/C(=C\N(C)C)C(=O)OCC)CC2=O 587470389 TWQYZXXONPZTGX-LFDGNKEFSA-N 361.438 3.077 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]ccnc2-3)N1 587808601 ZVQZANPSSOXLIZ-XLKFXECMSA-N 361.218 3.435 0 1 FGAF COc1ccc(CCCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1OC 587925766 PPAPHDWTLWJLKE-UHFFFAOYSA-N 374.462 3.159 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 587235005 BXGYZNTUGYBTHW-DGCLKSJQSA-N 358.442 3.213 0 1 FGAF COc1ccc(NC(=O)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874118 UWCMRDMOODHUCX-UHFFFAOYSA-N 353.309 3.082 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCOCC2)N1 587769496 BFULTYZCGGPCPJ-SJCJKPOMSA-N 371.294 3.060 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1OC)CC2=O 587477628 HRPXXCLAVMGGDM-HXUWFJFHSA-N 356.374 3.299 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587444999 YMBAOUSANDHVOF-BTYIYWSLSA-N 368.385 3.292 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccco2)N1 587827801 LBONGZPNLKAOHX-AYVTZFPOSA-N 354.175 3.044 0 1 FGAF Cn1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587551561 GYAKFYLYLTXIHA-KBXCAEBGSA-N 356.765 3.482 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn[nH]c1 587866555 NCIYUQSSFAGWDQ-UHFFFAOYSA-N 350.300 3.379 0 1 FGAF Cc1cncc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969911 QGOXLUNUJAZGNE-UHFFFAOYSA-N 367.390 3.337 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586963103 KGAAUQUTHCILGT-CQSZACIVSA-N 369.450 3.495 0 1 FGAF Nc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1F 587139222 CFLGMNVLUXOFKR-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CC[C@@]1(c2cc(C(=O)O)ccc2F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024832 MENSVDKEYDRLLC-YEJXKQKISA-N 368.408 3.231 0 1 FGAF CC1(C)CN[C@]2(CCOCC[C@@H]2C(F)(F)F)c2c1ccc1c2OCO1 963391703 XCNLHAQDGAGNLW-GUYCJALGSA-N 357.372 3.480 0 1 FGAF CSc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 1772583884 QWCBDDMORRCKOO-ZETCQYMHSA-N 359.282 3.088 0 1 FGAF CC[C@@H](c1nc(O)c2cnn(C(C)C)c2n1)N1CC(Oc2ccccc2)C1 1772612582 LQGBRKQMOXFYNN-KRWDZBQOSA-N 367.453 3.327 0 1 FGAF CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13864248 FIBZTJYDEQEKEI-LBPRGKRZSA-N 354.358 3.496 0 1 FGAF CCCCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 169622140 RZCPXIZGLPAGEV-MSKXHIKFSA-N 354.487 3.043 0 1 FGAF CN(Cc1ccco1)C(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2 203474624 BYJKVIMVYUMLKC-UHFFFAOYSA-N 361.401 3.103 0 3 FGAF Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C 1857644762 CHOSNVWZSYIWJH-UHFFFAOYSA-N 356.426 3.269 0 1 FGAF CCNC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1 1625555 OKJGGWPYSHLZSO-GZTJUZNOSA-N 371.433 3.398 0 1 FGAF CCCn1c2nc(C34C[C@H]5CC3C[C@@H](C5)C4)nc-2c2n(c1=O)C[C@H](CC)N2 104935204 KSNFSPWAGPTPTM-CHGICKAMSA-N 367.497 3.236 0 1 FGAF OC[C@H]1CC[C@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)O1 27317558 LVTQBRHVNWJLNJ-IUODEOHRSA-N 350.850 3.499 0 1 FGAF CC[C@H](C)OC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O 29564035 BKMGVVRGOLWLQF-NSHDSACASA-N 374.389 3.307 0 1 FGAF CN(Cc1ccoc1)Cc1cccc(-c2nc([C@H]3CCOC3)cc(=O)[nH]2)c1 23399041 DAIWBDUTRPEDOR-SFHVURJKSA-N 365.433 3.166 0 1 FGAF CO[C@H](C=Cc1ccccc1)C[C@H](CC=C[C@@H]1C[C@@H](O)CC(=O)O1)OC 2356457952 COSPBJKXLJQUJI-IYWMVGAKSA-N 360.450 3.133 0 1 FGAF O=C(C1CCCC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010704 WCMIQMUWHYYLEZ-INIZCTEOSA-N 354.237 3.232 0 1 FGAF O=C(O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 32064554 JCGGSKWHDCNMBS-UHFFFAOYSA-N 366.325 3.155 0 1 FGAF COc1ccc2nc(-c3cccs3)nc(NCCN3CCOCC3)c2c1 40863907 NIBCASRTOUBEHZ-UHFFFAOYSA-N 370.478 3.111 0 1 FGAF O=c1[nH]c2nonc2nc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1911577396 ARNIPHLYWGQGCC-UHFFFAOYSA-N 365.193 3.087 0 1 FGAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC2)cc1 84596823 XOWOXNUWWRCORZ-UHFFFAOYSA-N 353.447 3.371 0 1 FGAF NC(=O)O[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 95574289 SZLNZRVYYIAGMX-LJQANCHMSA-N 357.429 3.174 0 1 FGAF COc1cc2c(cc1O)C(=O)c1nccc3c(OC)c(OC)c(OC)c-2c13 95919009 UNJQKAKHASARIO-UHFFFAOYSA-N 367.357 3.186 0 1 FGAF biogenic,in-vitro CCCCCCNC(=O)[C@@H]1COC(c2ccc(OC(F)(F)F)cc2)=N1 95607145 ZJNANGYAFGVBQW-AWEZNQCLSA-N 358.360 3.427 0 1 FGAF O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OC[C@@H]2C1CC1 95553959 YFSXRZIBARSKDN-QGZVFWFLSA-N 352.434 3.408 0 1 FGAF Nc1ncc(-c2cc(N3CC[C@@H](F)C3)nc(C3CC3)n2)cc1OC(F)F 653664382 ULCAZIRACOSOTN-LLVKDONJSA-N 365.359 3.148 0 1 FGAF OCc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587002306 JPZWJBXGTJXPEN-UHFFFAOYSA-N 371.238 3.410 0 1 FGAF N[C@H](N=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039827 GAKWNAYOKWULEA-GVDBMIGSSA-N 353.451 3.233 0 1 FGAF CC1=C[C@@]2(CC(=O)N1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759651 LSCHIXHYVXRXPN-FVMDXXJSSA-N 353.235 3.084 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433750 VUFKAFOAYXBATM-ZQGRQUNCSA-N 359.422 3.259 0 1 FGAF CCCS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587448647 KVUSFCVWFXHTLJ-OXQOHEQNSA-N 372.442 3.368 0 1 FGAF O=C(O)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149150 MBPQYSLCPLWHRS-LLVKDONJSA-N 371.343 3.055 0 1 FGAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO 587442570 QYFUSALUEZKCON-IIBYNOLFSA-N 354.402 3.465 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1S(C)(=O)=O)CC2=O 587489981 WDJVRNNOJKIULT-WMZOPIPTSA-N 352.452 3.036 0 1 FGAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587171289 LABRHRURLKTWDZ-JTQLQIEISA-N 365.455 3.245 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(F)cccc1N1CCCC1)NCC2 962925415 MKLRCVLYVSXBRE-OAQYLSRUSA-N 367.468 3.363 0 1 FGAF Cn1cc(C(=O)C[C@]2(C)c3ccsc3CCN2Cc2cccnc2)cn1 963000609 VVCJZBCNVZBNAO-HXUWFJFHSA-N 366.490 3.423 0 1 FGAF C[C@]1(c2ccnc(Cl)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216437 BSEMXXLWDLCLAH-HNAYVOBHSA-N 371.799 3.285 0 1 FGAF COc1cccc2cc3c(nc12)[C@](C)(c1ccnc(Cl)c1N)NCC3 963045998 HZJQUFXXRZJGST-IBGZPJMESA-N 354.841 3.283 0 1 FGAF Nc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1 141829679 PJMVCPOFLFXERX-UHFFFAOYSA-N 355.442 3.455 0 1 FGAF Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)C(=O)c1ccccc1)C2 12123847 NNAIIKDXMNQUBS-SFHVURJKSA-N 372.424 3.360 0 1 FGAF COc1cc(-c2oc(C)nc2C2CCCCC2)ccc1S(N)(=O)=O 13473012 QXLJFFJGLWBCKP-UHFFFAOYSA-N 350.440 3.354 0 1 FGAF C/C=C(\C)C(=O)OC[C@]1(c2cc(OC)c(C)cc2OC(=O)C(C)C)CO1 15169468 ATYKZBMNUSDZPQ-NBSXQYNISA-N 362.422 3.300 0 1 FGAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 15848218 DLJKPYFALUEJCK-BOZHGRKASA-N 368.514 3.433 0 1 FGAF COc1ccc2c(c1)OC[C@@]21C(=O)N(Cc2ccccn2)c2ccccc21 103200096 QRUWQQJWZOBGEN-QFIPXVFZSA-N 358.397 3.316 0 1 FGAF C[C@@H]1CN2[C@H]3[C@@H]4CC[C@@]35CCC[C@H]5[C@@]3(CCC(=O)O)[C@H]2[C@]1(O)CC[C@@]43C 101850422 MUGPALRHVRSORL-ZNWYEIHRSA-N 359.510 3.281 0 1 FGAF NCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 26745573 CZZLKFOCLVIGNZ-UHFFFAOYSA-N 367.880 3.217 0 1 FGAF O=C(O)c1ccc(CNCCN2CCC(Cc3ccccc3)CC2)s1 20515329 LCADBNMXLUDRPC-UHFFFAOYSA-N 358.507 3.491 0 1 FGAF CCCn1ncc(NC(=O)Cn2nc(C)c(-c3cccc(C)c3)c2C)n1 23430231 URYLGHSSIAKFOX-UHFFFAOYSA-N 352.442 3.116 0 1 FGAF Cc1cnnc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 28394271 OQPLYXBPXWMQLM-UHFFFAOYSA-N 365.359 3.158 0 1 FGAF O=C(O)CCC/C=C\C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1 29478051 QIXPVYQKDOIRDE-PTZWAXEDSA-N 351.468 3.335 0 1 FGAF COCCNC(=O)[C@]1(C)CCN(Cc2cccc(Oc3ccccc3)c2)C1 61929978 DPTRJMTUAYHEDB-JOCHJYFZSA-N 368.477 3.454 0 3 FGAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)C2CCCC2)cc1 2356299204 BOAUWJJJVUBTKW-NSHDSACASA-N 358.394 3.416 0 1 FGAF CC=C(CO)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356515897 FRUFGLJBMBUARK-APWZRJJASA-N 352.434 3.083 0 1 FGAF CCO[C@@](C)(c1ccc(O)c(OC)c1)[C@@H](CO)c1ccc(O)c(OC)c1 2356584127 UEIZIIBKVWSXIK-YWZLYKJASA-N 362.422 3.143 0 1 FGAF COc1ccc(C=CC[C@@H](CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1 2356702647 NECYZFRKTWYGPO-UWJYYQICSA-N 358.434 3.458 0 1 FGAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN(C)C 2356702670 OZPUDNHYNHCYDF-ZIBCJSCZSA-N 365.514 3.369 0 1 FGAF CCCCC12CN3CC(C)(CN(C1)C3[C]1C=Cc3ccccc3N1)C2=O 2356871665 FJPJYFQTLPLNLH-UHFFFAOYSA-N 350.486 3.380 0 1 FGAF CCOCCCN[C@@H](c1nc(C(C)C)c(N2CCOCC2)o1)C1CC1 72101927 ZBUOXYGQFRKJQJ-QGZVFWFLSA-N 351.491 3.102 0 1 FGAF CNCCCN1Cc2ccccc2N(c2ccc(Cl)cc2)S1(=O)=O 49525754 HDTINEVDGKNACJ-UHFFFAOYSA-N 365.886 3.148 0 1 FGAF CCc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@@H]3c1cccc(O)c1 45337138 VPYMYXCPSJKVGR-JOCHJYFZSA-N 363.461 3.259 0 1 FGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(N)nc(NC(C)(C)C)nc34)[nH]c21 222429302 PBLFJZCOGVJGGN-SECBINFHSA-N 350.426 3.222 0 1 FGAF NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F 95591460 QVTWNMKKLBUIIT-UHFFFAOYSA-N 365.373 3.225 0 1 FGAF CCn1cc(Br)c(Cc2nc3c(C)cnc(Cl)c3[nH]2)n1 586999924 GCOUSXKKCXLAQE-UHFFFAOYSA-N 354.639 3.489 0 1 FGAF Nc1ncnc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc12 587138641 OWSFTNFXDZZQSM-UHFFFAOYSA-N 367.315 3.246 0 1 FGAF CC[C@]1([C@H](N=O)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743430 WOEZVGQSXFHNST-ZXCZTKLOSA-N 373.222 3.036 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](S(C)(=O)=O)C1)CC2=O 587488212 PJTCGIADGMHVFP-KZULUSFZSA-N 352.452 3.036 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccccc2)N1 587829903 YTBLDQLOBMEBIH-PIGZYNQJSA-N 350.231 3.358 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1OC 587177214 CUENGUHQKPTKAB-UHFFFAOYSA-N 370.384 3.159 0 1 FGAF CS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 586924584 CHXAKVVHYQVBJD-UHFFFAOYSA-N 367.224 3.102 0 1 FGAF CN1CCN(c2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)CC1 587090680 VGVUCWPURRXXAG-CYBMUJFWSA-N 350.747 3.238 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587163678 UISLFDMJKALVEI-CABCVRRESA-N 359.426 3.223 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)(C2CC2)N1 587832332 JMFXNGUMDMUOBA-QGHHPUGFSA-N 370.262 3.491 0 1 FGAF Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166438 SDOPYUUNWAELEC-UHFFFAOYSA-N 355.398 3.467 0 1 FGAF COc1ccc([C@@]2(CC3OCCO3)NCCc3cc(C)c(F)cc32)cc1 962374603 LJSGFUKOYMURDL-OAQYLSRUSA-N 357.425 3.295 0 1 FGAF COc1cccc2cc3c(nc12)[C@@H](c1cc(F)cc2c1OCOC2)NCC3 963049036 AHZFCAPTRBSFNH-HXUWFJFHSA-N 366.392 3.484 0 1 FGAF O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1 1772636042 HEZHOLUAZMQEBN-OAQYLSRUSA-N 366.461 3.078 0 1 FGAF Cc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3cnccn3)no2)cc1C 12754515 BYRUEZFSBAWXRV-HNNXBMFYSA-N 366.421 3.021 0 3 FGAF CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3C)CC1 13491755 KZGICVGMPQLPLX-UHFFFAOYSA-N 362.905 3.325 0 1 FGAF C[C@H](c1nc(-c2cc(Cl)cc(Cl)c2)no1)[C@H](N)C(=O)N1CCCC1 14948440 KELLMIHJOYOBIM-ZANVPECISA-N 369.252 3.097 0 1 FGAF CC(C)SCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 14964994 HQRKQOZKBUIGKJ-KYNGSXCRSA-N 360.523 3.237 0 1 FGAF O=C1c2nc3cc(-c4ccccc4)nn3c(O)c2CN1Cc1ccccc1 15923338 ZUAZAADTBCCXIV-UHFFFAOYSA-N 356.385 3.258 0 1 FGAF Cc1ccc(/C(=C\N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 17111735 DSZBASYLLNPOPF-HMMYKYKNSA-N 357.475 3.408 0 1 FGAF O=c1c(OCc2nn[nH]n2)c(-c2ccc(F)cc2)oc2cc(Cl)ccc12 1857550749 YRRQZEKOKYZOGE-UHFFFAOYSA-N 372.743 3.345 0 1 FGAF C[C@@]1(c2nccc3cc4c(cc23)OCO4)Oc2ccc3c(c2O1)OCO3 1857748488 LPEUZMZLWYLQCY-LJQANCHMSA-N 351.314 3.336 0 1 FGAF Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1 1857750006 KTOPELDEHJBGPW-GHTZIAJQSA-N 352.526 3.206 0 1 FGAF COc1cc(CN2Sc3ccccc3[S@]2=O)cc(OC)c1OC 6483655 QVJQHCYEYYVEMX-QHCPKHFHSA-N 351.449 3.258 0 1 FGAF COc1ccc([C@H]2C3=C(CCCC3)Nc3nc(C)[nH]c(=O)c32)cc1OC 103157933 FRVNRWZXSLQJHK-KRWDZBQOSA-N 353.422 3.481 0 1 FGAF CCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 8599950 BGVZMVNRULCFRU-UHFFFAOYSA-N 352.360 3.001 0 1 FGAF COc1ccccc1CCCNCCCCN1C(=O)c2ccccc2C1=O 29560777 OKGBHPWFNSGHLX-UHFFFAOYSA-N 366.461 3.294 0 1 FGAF COC(=O)[C@]12Cc3ccccc3[C@@H]1C[C@@H](C)[C@@H](C)N2C(=O)C(F)(F)F 66129286 XLELXJZZMSCKDP-YPTOZTKWSA-N 355.356 3.057 0 1 FGAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2 36271273 XSCLLXQHZKNMDH-HGTKMLMNSA-N 369.246 3.494 0 1 FGAF Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)N1CCN(CCO)CC1 28246403 NPYHEUJPEALJES-NRFANRHFSA-N 357.498 3.114 0 1 FGAF COc1ccc(C2=NCCn3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 36383463 BJIPOZPVMVFTFV-UHFFFAOYSA-N 361.323 3.153 0 3 FGAF OC[C@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84617561 FSVJCNOLLRABCZ-URANKQGBSA-N 365.558 3.207 0 1 FGAF COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1 49070746 HHWGWPAREUNUGL-UHFFFAOYSA-N 365.792 3.202 0 1 FGAF CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1 82177923 DHAHXQOHZFLFLJ-OAHLLOKOSA-N 352.442 3.135 0 1 FGAF Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccc(F)cc2)o1 82164637 CSIMLXFGNXXASL-UHFFFAOYSA-N 354.385 3.207 0 1 FGAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccccc4)nc3c21 40933899 BPFNEZFPJOLDSO-UHFFFAOYSA-N 364.380 3.063 0 1 FGAF Cc1ccc2c(c1)CCN(C(=O)CNCC1(O)CCCCC1)[C@H]2C(C)C 140425064 LIMNASSKJSCEKR-NRFANRHFSA-N 358.526 3.362 0 1 FGAF CC(C)C[C@@H](CO)NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1 143537317 HEGCRWHXZDDLQX-LBPRGKRZSA-N 360.376 3.037 0 1 FGAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC(=O)O1)C2 144313621 WVQIYYTZAKEAOU-SWTLLTDLSA-N 350.455 3.140 0 1 FGAF Nc1ccc2c(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c[nH]c2c1 95579190 PFQFDGZYKPLVGY-UHFFFAOYSA-N 361.445 3.414 0 1 FGAF O=C(N[C@@H](C(=O)c1ccccc1)n1c(O)ccnc1=S)c1ccccc1 253500976 ZFQBHJLFUYOPQZ-QGZVFWFLSA-N 365.414 3.130 0 3 FGAF CCc1ccccc1NC(=O)c1nc2cc(N3CCN(C)CC3)ccc2[nH]1 587241218 RDJJMOLYQZKDTK-UHFFFAOYSA-N 363.465 3.129 0 1 FGAF Cn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587556057 NJDVPDCHYMQYCE-KXBFYZLASA-N 372.327 3.248 0 1 FGAF COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587439588 WQMBEMUKKAMGDN-XCLFUZPHSA-N 355.390 3.090 0 1 FGAF Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587013943 DEBSAXCXVBQAOB-UHFFFAOYSA-N 365.212 3.088 0 1 FGAF NC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079889 LRSBNDVPRZNFRA-ZDUSSCGKSA-N 353.813 3.039 0 1 FGAF CCCCOc1cc2nc(CC(=O)COC)[nH]c2cc1Br 587562864 IBXDNXLHZMATRN-UHFFFAOYSA-N 355.232 3.262 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2N)N1 587727368 BSYKWAXZHBJZGH-UOWDBTKRSA-N 354.198 3.328 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NCc1ccc(C)cc1)[C@@H](C2)C3=O 587431306 FNADWLGJIKQVHQ-HTAPYJJXSA-N 365.429 3.216 0 1 FGAF FC(F)c1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cnc2ncnn12 587129422 YRNRQRWSSWQGQA-UHFFFAOYSA-N 356.123 3.307 0 1 FGAF O=C(O)c1cc[nH]c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592381 YGXRFXXIQBPRBM-KSSFIOAISA-N 351.314 3.121 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587435751 JIIUMAZUINXGIK-MJEGUIRGSA-N 371.433 3.211 0 1 FGAF COc1c(C)c(O)cc(C)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1C 13375594 LDUIGKBGAKEQFZ-UHFFFAOYSA-N 360.362 3.257 0 1 FGAF biogenic COc1ccc(C2=NNC(=O)[C@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 13474147 NMGSQEBMRHQDOG-ZFWWWQNUSA-N 352.434 3.359 0 1 FGAF O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C/C(=C/CCO)CCCO1 13829236 LSIHNRUACNKZKD-LEHPZIBWSA-N 357.372 3.113 0 3 FGAF O=C(Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccs1 165882379 LZWRWKMEAPIVKG-SKNMWMDOSA-N 364.426 3.312 0 1 FGAF O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(F)cc1F 1857545223 UHDVYTPXBZJTHP-UHFFFAOYSA-N 358.291 3.030 0 1 FGAF O=C1OCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857640891 KCCFIQQBKNDLNR-CQSZACIVSA-N 360.360 3.276 0 1 FGAF O=P(O)(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13515215 UQVFFWAGEQWWMP-UHFFFAOYSA-N 370.278 3.358 0 1 FGAF in-vitro COP(=O)(OC)[C@@H](C)OC(=O)COc1cccc(C(F)(F)F)c1 103275111 AVYLETHGFDDSHN-VIFPVBQESA-N 356.233 3.459 0 1 FGAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 2356431667 ZKWHYXNVSBUGQC-LPHOPBHVSA-N 373.403 3.450 0 1 FGAF COc1ccc(Cn2cc(COc3ccc4c(=O)ccoc4c3)nn2)cc1 84670825 PRFHTVLFHNMJAA-UHFFFAOYSA-N 363.373 3.020 0 1 FGAF COc1cc(OC)cc(-c2nc(C(=O)OC[C@H]3CCCN3C)cs2)c1 82086404 CTJALUDLQSJGDT-CYBMUJFWSA-N 362.451 3.078 0 1 FGAF C[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nnc(-c2ccccc2)n1C 1911570746 TXXKROJOCBDMLD-WBVHZDCISA-N 355.486 3.293 0 1 FGAF O=c1oc2cc(F)ccc2c(O)c1Cc1c(O)c2ccc(F)cc2oc1=O 45301137 PWXDCIOXDJGRCP-UHFFFAOYSA-N 372.279 3.180 0 1 FGAF O=C(O)CCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@H](O)CCCC(=O)O 85589051 BCZGHMCTSJAJRR-NSBXBVANSA-N 368.470 3.447 0 1 FGAF endogenous,in-man COc1ccc(CC(C)(C)NC[C@@H](O)COc2ccccc2OC)cc1 143436885 ZULQCRYBRSSOTG-QGZVFWFLSA-N 359.466 3.054 0 1 FGAF COc1ccc(OC)c2c1NC(=O)/C2=C\c1cc(OC)c(OC)c(OC)c1 96923440 WGOTXEMVQACWED-WQLSENKSSA-N 371.389 3.222 0 1 FGAF Cc1nc(Cc2ccccc2)sc1-c1ccc2c(O)nc(O)nc2n1 587563153 FPVIAPLBFSRXJA-UHFFFAOYSA-N 350.403 3.459 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc(Cl)[nH]c-4n3)cc2N1 587127163 UAXLBQYKRWUXFV-SVGQVSJJSA-N 357.727 3.129 0 1 FGAF N[C@@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1F 587145446 YUGSSXCZMXHVQD-LBPRGKRZSA-N 350.191 3.413 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc(Br)ncc2[nH]1 586967445 XQWFRNZVMANEBH-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cn1 587168859 PJUIRYOOLQUHSR-UHFFFAOYSA-N 350.357 3.231 0 1 FGAF C=CN1CCCC[C@H]([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587445987 ZTAVRPLOSJXRLT-GSHUGGBRSA-N 367.445 3.364 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cn2)OCO3)N1 587778195 LKXPVBLFLUVYLW-PWJLMRLQSA-N 365.202 3.336 0 1 FGAF O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605074 XDRKJMDPJZQZIP-WHRJUNERSA-N 350.370 3.482 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896432 QDYXUKXEXFVKSS-UHFFFAOYSA-N 373.478 3.084 0 1 FGAF COC(=O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589868 AXQJPEFVMPBRHD-NVMYHKGLSA-N 368.385 3.456 0 1 FGAF CC1=C(c2ccc3nc(-c4ccc(Cl)nc4F)[nH]c3c2)NNC(=O)C1 587177807 ANRFIXBJMZPDOZ-UHFFFAOYSA-N 357.776 3.173 0 1 FGAF COC(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1OC 587239211 LXEBGTSJHYOKLU-UHFFFAOYSA-N 367.405 3.156 0 1 FGAF COc1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587194070 ZNBYCOJHOIJPOK-UHFFFAOYSA-N 353.422 3.091 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587804280 DJDDOAWAKVMXIP-SEFYAATASA-N 356.235 3.291 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc2c(c1)NC(=O)[C@@H](C)O2 963258570 OPFQWIJLMLJUNZ-BIBXISHDSA-N 372.852 3.477 0 1 FGAF CCOC(=O)CC[C@@]1(c2ccc(C)cc2)NCCc2nc3ccccn3c21 962986660 JPCIWLSKOIVFEH-QFIPXVFZSA-N 363.461 3.375 0 1 FGAF CC(C)(O)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963215552 BRENETWAUHAATC-UXHICEINSA-N 362.429 3.151 0 1 FGAF CCCOc1ccccc1-c1nc2c(c(C)nn2CC(F)(F)F)c(=O)[nH]1 13755570 NFKJJNMSJBDQPY-UHFFFAOYSA-N 366.343 3.446 0 1 FGAF CCN(CC)CCn1c2c3c(n[nH]c(=O)c4cccc1c34)CC(C)(C)C2 150195540 OGMWSRSCJFPYFR-UHFFFAOYSA-N 352.482 3.344 0 1 FGAF O=C1N=C2/C(=C/c3ccc(F)cc3)CNC[C@H]2[C@H](c2ccc(F)cc2)N1 169729994 HJBLYLSJADESHN-UMYNOAJGSA-N 353.372 3.473 0 1 FGAF COCCN(C)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2 205625105 BIMAVMUKLUTKNT-UHFFFAOYSA-N 369.446 3.099 0 1 FGAF CCN(CC)c1nc(C)nc2c1s/c(=N/N)n2-c1c(C)cc(C)cc1C 1857750249 ZYAABOHJYBVDCO-FCDQGJHFSA-N 370.526 3.336 0 1 FGAF COc1ccc(F)c([C@@H]2NC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1 1857759314 LBIYDQSDCCRMHN-HNNXBMFYSA-N 362.357 3.085 0 1 FGAF Cc1nnc2sc(C(=O)N3CC(c4ccccc4F)C3)c(N)c2c1C 1857759965 AGDKDKDZTMAOMW-UHFFFAOYSA-N 356.426 3.269 0 1 FGAF COc1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1 13728207 JPOGVRJMRKHDAG-UHFFFAOYSA-N 355.459 3.445 0 1 FGAF Cc1nc2c(C(=O)N3CCCC3)cnn2c(C)c1Cc1ccccc1F 3033760 OMDKDOIWRVNNPZ-UHFFFAOYSA-N 352.413 3.312 0 1 FGAF CCCNC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 61896414 JTHGHEPLUYFROP-NRFANRHFSA-N 360.498 3.128 0 3 FGAF COc1ccc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3ncnn32)c(OC)c1 103542748 CWXRNJVYPTUYQH-IBOXJLQUSA-N 358.398 3.185 0 1 FGAF O=C1OC[C@H]2CCN(Cc3cccc4c3OCO4)Cc3ccc(F)cc3N12 2356488096 YVABQWXENLIPPT-MRXNPFEDSA-N 370.380 3.286 0 1 FGAF COc1cccc2c1[C@H](OC)O[C@H]2c1c(O)ccc2c1C(=O)C[C@](C)(O)C2 2356664099 ICVWZBRYEUFULN-NJDAHSKKSA-N 370.401 3.045 0 1 FGAF CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2c1CC(=O)N2 26158976 IOVXZPKVVVPHDX-UHFFFAOYSA-N 370.424 3.294 0 1 FGAF CCCCO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272630 WYINIEHHKOBOQL-INIZCTEOSA-N 366.849 3.235 0 1 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccccc3Cl)[C@@H]1C2 73138194 SGENGEOIJHYIQG-ACJLOTCBSA-N 371.824 3.369 0 1 FGAF CC(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 71316135 MMGQYTNXKRTHIO-UHFFFAOYSA-N 369.126 3.271 0 1 FGAF CC(C)Oc1cc(N2[C@H]3CC[C@H]2COC3)nc2c(-c3cc[nH]n3)nccc12 1911579521 KKCIOUFICKPTLR-KBPBESRZSA-N 365.437 3.175 0 1 FGAF COc1ccc(Cc2n[nH]c3ccnc(-c4cccc(C(N)=O)c4)c23)cc1 74388602 VRVBVPQKKSGLFN-UHFFFAOYSA-N 358.401 3.323 0 3 FGAF CN(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40401246 IBVHHWGLHMFPKH-PZJWPPBQSA-N 353.510 3.342 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccccc2F)nn1 1911585086 HKASPDXSBZBHPQ-VQHVLOKHSA-N 369.352 3.092 0 1 FGAF COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1)C1=C(COC1=O)O2 84615308 CKXMTGCSFYUOHQ-HNNXBMFYSA-N 354.358 3.048 0 1 FGAF CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)C 137513437 REOAFLKDMUDWNA-DLDPGCDDSA-N 362.466 3.481 0 1 FGAF in-vitro Cc1ccnc(Nc2cccc(-c3ccnc(N4CCCNCC4)c3)n2)c1 84706163 GCEBXPHKCREIQL-UHFFFAOYSA-N 360.465 3.390 0 1 FGAF CCc1nn(CCO)c(NCCOC)c1Cc1cc(Cl)cc(Cl)c1 45300938 FWRKBGVQNICMMW-UHFFFAOYSA-N 372.296 3.394 0 1 FGAF CCCCCCCCCCCCNC(=O)[C@H]1CCN1C(=O)[C@H]1CCCN1 148367097 MCNHRZVPBHWKHL-RTBURBONSA-N 365.562 3.376 0 1 FGAF CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl 95894430 FPDNDFIICFJGNT-KURKYZTESA-N 357.841 3.151 0 1 FGAF O=C(Nc1ccnc(O)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142924523 NLRDGERSGBVMEI-UHFFFAOYSA-N 350.256 3.108 0 1 FGAF COC1CN(C(=O)c2c(NC(=O)CC(C)(C)C)sc3c2CCCC3)C1 95558654 HMLSZWJVJKHFQI-UHFFFAOYSA-N 364.511 3.472 0 1 FGAF O=C(O)/C=C1/CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1SO 299853171 GRUGUUKMIXOMMR-GBDOQOGUSA-N 365.426 3.137 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5c(cc4[nH]1)OCCO5)(C3)C2 587951737 ZDKKACOPMFYMDF-ZXPDZVFASA-N 368.433 3.488 0 1 FGAF OC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOCC1 586914165 VEPKNSRUMVGJAR-UHFFFAOYSA-N 365.149 3.342 0 1 FGAF O=C(O)Cc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587961542 LQFHQIKCRDFFTB-UHFFFAOYSA-N 370.718 3.195 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 587260122 QTLNPNHCEUXUEG-AWEZNQCLSA-N 373.844 3.318 0 1 FGAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)[C@H]1C(=O)O 587529251 MHFOYANBURILPJ-WSQZFFJMSA-N 372.417 3.101 0 1 FGAF CCNC(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587230061 GPSILDLKPZRWTH-UHFFFAOYSA-N 364.165 3.413 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587195535 WUTPECZATYMOIT-UHFFFAOYSA-N 367.638 3.205 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(F)cc21 587472420 QDDZMEAWRXXGTN-FQEVSTJZSA-N 355.365 3.321 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C2 587247679 XLIBBPHWWOVTKP-GOSISDBHSA-N 373.359 3.236 0 1 FGAF O=C(O)Cc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587961543 LRUAEDJBBRJWJD-UHFFFAOYSA-N 350.353 3.106 0 1 FGAF CC[C@@H](C)n1ncc(I)c1-c1nc2ccncc2[nH]1 587181474 RWNLPXFBGSZGKW-MRVPVSSYSA-N 367.194 3.397 0 1 FGAF CN(C)CCOc1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587068789 DNXJXMBZRFEUDZ-HNNXBMFYSA-N 372.900 3.442 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587445001 YMBAOUSANDHVOF-YCRPNKLZSA-N 368.385 3.292 0 1 FGAF O=C(c1cc(-c2ccc(F)cc2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587652229 YWBXIEXLVBGJLL-UHFFFAOYSA-N 368.755 3.268 0 1 FGAF COc1ccc(-c2cnc(CNC(=O)C3=Cc4ccccc4OC3)[nH]2)cc1 1772608398 PSPXFDPQZZDHAA-UHFFFAOYSA-N 361.401 3.178 0 1 FGAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C=O)[C@@H]12 13765018 RNBMJTUDVDLVNT-QUCCMNQESA-N 351.406 3.193 0 1 FGAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1 13860120 HCYPTJHXXAJQQV-INIZCTEOSA-N 369.896 3.440 0 1 FGAF Cn1/c(=N\N/C=C/c2sc3ccccc3[n+]2C)sc2ccccc21 169323930 ZTFMTWHZZFQOKF-CZIZESTLSA-O 353.496 3.355 0 1 FGAF O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)cc3)cc12 1857552919 UHDXZSZXALTMPM-UHFFFAOYSA-N 360.778 3.033 0 1 FGAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(=O)O)cc3)nc1-2 1857773851 NWXKVZFBLTYFLB-UHFFFAOYSA-N 365.418 3.196 0 1 FGAF CN1CCC[C@]2(CCCN(C(=O)c3cccc(Br)c3)C2)C1 1271497291 NFFOSMDFLKZAGB-KRWDZBQOSA-N 351.288 3.397 0 1 FGAF O[C@@]1(c2ccc(Cl)cc2)[C@@H](N2CCCC2)c2ccccc2C2=NCCN21 1662072 KVHQKANIWGGWBY-FPOVZHCZSA-N 367.880 3.398 0 1 FGAF CCN(CC)C(=O)c1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C 2921751 PPPRGWWPDLTXLQ-UHFFFAOYSA-N 373.453 3.436 0 1 FGAF CC[C@@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCc1ccco1 2933334 RGMCUTJEWZBIJF-QGZVFWFLSA-N 357.406 3.497 0 1 FGAF COc1ccc([C@@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 6522664 OEWOSWUCYUHMQM-LJQANCHMSA-N 357.431 3.124 0 1 FGAF CC(C)Oc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643300 JXOLMXLINBXECI-HZPDHXFCSA-N 353.466 3.377 0 1 FGAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 26817441 VCEHMGKRQOWBCE-FDCFBWIESA-N 361.394 3.212 0 1 FGAF Cc1ccc(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(=O)O)cc1 61945314 AFSIDJHHSTWJRO-OAHLLOKOSA-N 351.324 3.440 0 3 FGAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(Cc3ccsc3C1)N2 28529621 JGCILFCSMGUNBX-IBGZPJMESA-N 367.430 3.404 0 1 FGAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(N(C)C)cc1 28123169 GUONGMJCVDWGJK-UHFFFAOYSA-N 366.417 3.340 0 1 FGAF CC[C@H](C)CCCCCCCCC(=O)N[C@H](CC(=O)OC)C(=O)OC 2356500548 XSWVXEKKEXEEKJ-JKSUJKDBSA-N 357.491 3.374 0 1 FGAF CCC=CC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)OC)O[C@@H]2C[C@H]1O 2356599665 ILBOWKBQZSFVCD-AEEMCCEDSA-N 364.482 3.273 0 1 FGAF Cc1cccc(N2Cc3c(NC4CCCC4)ncnc3N(C)CC2=O)c1 71995918 IBNOOKDDMQPARZ-UHFFFAOYSA-N 351.454 3.123 0 1 FGAF COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 82140395 ZWTRLYPANPJYGE-UHFFFAOYSA-N 372.444 3.357 0 1 FGAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95604062 TYKPSZJUNVEPGL-OAQYLSRUSA-N 366.461 3.108 0 3 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]1NC(=O)OCc1ccccc1)O2 587388613 FFWWRVXXRYKBHS-RXVVDRJESA-N 366.417 3.370 0 1 FGAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586881158 UHPSOBAJDHEPIJ-VURMDHGXSA-N 363.417 3.160 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587232539 YTDZHIGZEDAJMU-WDEREUQCSA-N 353.825 3.392 0 1 FGAF COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398238 DHAQBYMMPIFGJC-YEJXKQKISA-N 369.417 3.256 0 1 FGAF O=C(COc1ccccc1-c1nc2cnncc2[nH]1)Nc1ccccc1F 587153959 GHXHLJIODANVSA-UHFFFAOYSA-N 363.352 3.177 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3ccnc(O)c3[nH]2)cc1Cl 586968934 YUTUEQDAGCTSJM-UHFFFAOYSA-N 372.841 3.498 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)c(C)c(O)n1 587868132 GXXXPIYGIPTINO-UHFFFAOYSA-N 365.315 3.074 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccco2)N1 587827800 LBONGZPNLKAOHX-ANRSDYALSA-N 354.175 3.044 0 1 FGAF O=C([C@@H]1CCc2nnc(C3CC3)n2C1)n1nc2cc1Oc1ccc(F)cc1-2 587876917 YBLKYAVDSMMQGP-LLVKDONJSA-N 365.368 3.167 0 1 FGAF O=S(=O)(CCc1nc2cc(F)cc(F)c2[nH]1)c1ccc2c(c1)CCC2 586921027 VLROLTDRPFLGEO-UHFFFAOYSA-N 362.401 3.346 0 1 FGAF COC(=O)c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cn1 587136341 OMYJICIHMHUSON-UHFFFAOYSA-N 368.137 3.452 0 1 FGAF CC(C)Oc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 587223323 BWHMNLPFZGYUME-AWEZNQCLSA-N 353.422 3.434 0 1 FGAF COc1cccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587932752 VJAKDPAJXOBFQY-UHFFFAOYSA-N 361.405 3.222 0 1 FGAF COc1ccc(C2=NO[C@@H](COc3ccc4ccc(=O)oc4c3)C2)cc1 1772656856 BLKOHKZEMSYNQD-QGZVFWFLSA-N 351.358 3.374 0 1 FGAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(Cn2ccnn2)c1)c1ccccc1 1772639470 HGVRTVFRXQYCKA-OAHLLOKOSA-N 372.432 3.208 0 1 FGAF CC(=O)Nc1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 13677212 LROAWEPAOUJSCS-UHFFFAOYSA-N 364.401 3.255 0 1 FGAF CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO)CC1 13797101 HLZQGBWAVCSIKT-UHFFFAOYSA-N 365.452 3.328 0 1 FGAF O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1Br 14955077 MVDWLRCTJUXCCB-UHFFFAOYSA-N 357.181 3.339 0 1 FGAF in-vivo CC[C@@H]1C/C=C/Cc2ccccc2[C@@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 169357671 GQHJEOPNYJIXRG-RXPZCYIFSA-N 358.434 3.099 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@@H](C(C)C)N1C(=O)C(=O)c2ccccc21 206050357 PZXRDNYUXNZTQY-GOSISDBHSA-N 350.418 3.496 0 3 FGAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](OCc1ccc(F)cc1)C2 1857538981 HYBOJXGBVWSNGV-INIZCTEOSA-N 359.445 3.208 0 1 FGAF CCCCc1ccc(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 1857771235 KIUMBSMJLUNPQP-UHFFFAOYSA-N 363.439 3.026 0 1 FGAF COc1cc(CC[C@@H]2C[C@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 2356399009 JVJOETZYMWSWLO-FCEWJHQRSA-N 374.433 3.329 0 1 FGAF CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2nc(O)ccc12 29326590 ANLCROLHPITTQP-SFHVURJKSA-N 352.434 3.290 0 1 FGAF Cc1cc2c(c(O)c1C=CC(C)C)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1O)O2 2356464631 QKFCFTIQHYXZRG-LEWJYISDSA-N 370.401 3.458 0 1 FGAF CC1(C)C(=O)[C@H](O)C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@]2(C)CC(=O)C[C@@]12C 2356618792 IFGHJNUABITDAU-IOKDQWBISA-N 358.478 3.263 0 1 FGAF COc1ccc([C@@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@H](OC)[C@H]2O)cc1 2356654470 XMSAJBBKVHIWMR-VDGAXYAQSA-N 360.406 3.208 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)OC 2356695181 WNBMQMMGBBWUOZ-CADBVGFASA-N 366.498 3.340 0 1 FGAF COc1cccc([C@H](O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)c1 73169366 SQULJGIXJCYPFC-IBGZPJMESA-N 369.373 3.041 0 1 FGAF COc1cc2c(cc1OC)[C@@H](O)c1c(C=O)cc3ccc(O)c(OC)c3c1-2 14883504 NFTOWXYLSPBKQL-HXUWFJFHSA-N 366.369 3.446 0 1 FGAF biogenic CC1(C)OC[C@H](Cn2cc(CSc3nc4ccccc4s3)nn2)O1 73198457 JCHJXPDTGJVERR-LBPRGKRZSA-N 362.480 3.332 0 1 FGAF C[C@H]1CCCC[C@@H]1NC(=O)NCCCc1nnc(-c2ccccc2)n1C 1911570745 TXXKROJOCBDMLD-RDJZCZTQSA-N 355.486 3.293 0 1 FGAF CCCCc1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231358 AUTOBFPFYKMQRP-LIRRHRJNSA-N 366.465 3.219 0 1 FGAF CN(C)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 45230718 VMNFCLSQNHTBDX-UHFFFAOYSA-N 362.886 3.247 0 1 FGAF CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2cccc(C)c2)n1 82145363 YNDCMZMJWOGAHI-OAHLLOKOSA-N 356.470 3.429 0 1 FGAF NC[C@@H]1CCC[C@@H](CNC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)C1 145117290 CSKKHGUHJKUGMM-CHWSQXEVSA-N 369.494 3.181 0 1 FGAF CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccc(Cl)cc2)on1 147435977 SPGILAFEXNOREU-KGLIPLIRSA-N 363.845 3.204 0 1 FGAF C/C(=C/Cc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 238756270 IBBYPUFMXQIMFO-QGVCPKQPSA-N 368.385 3.212 0 1 FGAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Nc1ccccn1 98083682 URMNJKFZZCEBLA-TZWRJOPASA-N 367.408 3.301 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@H]3N(C)c3ccccc34)c3ccccc3N[C@@H]12 257428876 GSQUXSFTXJRLQJ-MLCQCVOFSA-N 360.505 3.061 0 1 FGAF endogenous,in-man O=c1cc(CO)oc([C@H]2C=C(c3cccs3)Oc3ccccc32)c1O 299868540 RRFUZWAHOZBFNC-ZDUSSCGKSA-N 354.383 3.465 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587164687 ZBJCILOQNDHZET-IBGZPJMESA-N 355.413 3.459 0 1 FGAF Cc1nn(C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583177 ULBPZQUZELKCPD-PXNSSMCTSA-N 350.374 3.445 0 1 FGAF CC(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 586940792 GDFBTAJBBSSLKQ-KTKRTIGZSA-N 369.446 3.164 0 1 FGAF FC(F)(F)c1nc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2[nH]1 587120437 IXAPTDLRXMGDIO-UHFFFAOYSA-N 368.369 3.492 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587086118 SLVKIXFXISWMOW-UHFFFAOYSA-N 361.854 3.485 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1CCN(CC1)C2 587588083 JINLGONGUUDDOP-NQIIRXRSSA-N 351.402 3.208 0 1 FGAF Cc1nc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1Br 587117339 BSFYTCBTCRTDBT-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCCC2)N1 587754726 KVMXYOJDEZZZIY-QLJPJBMISA-N 369.278 3.470 0 1 FGAF Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3cccc(F)c23)cnn1C 587635422 HRYAKVXZWCTYPR-UHFFFAOYSA-N 351.385 3.289 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cnc3ccc(F)cn23)N1)C(F)(F)F 962704825 DIRZLKCZXALBMW-BBRMVZONSA-N 363.314 3.209 0 1 FGAF COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1 13759870 KDNJRZZOPLBLFC-UHFFFAOYSA-N 351.859 3.281 0 1 FGAF CC1(C)CC(=O)[C@H]2C(=Nc3nc(S)[nH]c(=O)c3[C@H]2c2ccccc2)C1 17730395 SQFPTTKYEMJDTN-UONOGXRCSA-N 353.447 3.282 0 1 FGAF O=C(Nc1nc2cc(-c3cncnc3)ccn2n1)c1cccc(Cl)c1 1857609066 CKPHIFGPXJDLAL-UHFFFAOYSA-N 350.769 3.092 0 1 FGAF C[C@H]1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1 1857619700 WNIUQTDQTFIYCM-AWEZNQCLSA-N 373.888 3.148 0 1 FGAF CCCCN(Cc1ccc(NC(=O)CN)cc1)C(=O)Nc1ccccc1 1857745293 AEJNDMGMXIIXBP-UHFFFAOYSA-N 354.454 3.418 0 1 FGAF CCN(CC)CCCNC(=O)c1cc(-c2nccn2C)nc2ccccc12 1857668 GDYXIOUCSCHROO-UHFFFAOYSA-N 365.481 3.097 0 1 FGAF Cc1ccc2cc3cc(C(=O)N4CCC(C(N)=O)CC4)sc3nc2c1 4030384 FRLDGLINPIDLIJ-UHFFFAOYSA-N 353.447 3.095 0 1 FGAF CCCN1CCN(C(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)CC1 6771311 RYGHWYOQDOUCFA-UHFFFAOYSA-N 369.509 3.143 0 1 FGAF CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@@H]1N2C 100837667 WPSZKOIIDITBPV-YWCGQCRUSA-N 358.265 3.094 0 1 FGAF CN1C(=O)[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21 22454073 UFFVYLYYQFBQCZ-FQEVSTJZSA-N 369.896 3.045 0 1 FGAF COc1cc(C(=O)c2c(N)c3cccc(OC)c3n2C)cc(OC)c1OC 29136172 OOAFPLDVRMZKOK-UHFFFAOYSA-N 370.405 3.026 0 1 FGAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@@H]1N=C2 27084241 FAEJWVCMADNLAQ-STQMWFEESA-N 351.378 3.201 0 1 FGAF COc1ccc(CN(CCCN)c2ccc(Br)cn2)cc1 36382089 PKKRYHIPTFWSNF-UHFFFAOYSA-N 350.260 3.208 0 1 FGAF COc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1 40860994 YFCBVJGIYXXZBZ-UHFFFAOYSA-N 356.426 3.300 0 1 FGAF Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)o2)c1 40764441 DOAJPLVYPQELON-UHFFFAOYSA-N 350.338 3.412 0 1 FGAF O=C(OCCN(N1CCCCC1)N1CCCCC1)c1cc2ccccc2[nH]1 87722997 OAGMQKXAVQVDGK-UHFFFAOYSA-N 370.497 3.429 0 1 FGAF Cc1cccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)c1 653857045 TWMXBVOXRFFOGF-UHFFFAOYSA-N 361.401 3.320 0 1 FGAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC(C)=O 587400647 RUJOVBBKVBGUNC-MRXNPFEDSA-N 371.389 3.226 0 1 FGAF CN=c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 587742635 LEXLLUMITCFIIU-XXFAHNHDSA-N 350.235 3.070 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CO[C@@H](C2)O3)[C@@H]1c1ccc(F)cc1 587357272 MOAKVIGXMOOWIP-LMVHDODDSA-N 356.349 3.164 0 1 FGAF CC[C@]1([C@@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596447 VRAZCDSQTDYXLV-BXJCWQANSA-N 356.374 3.312 0 1 FGAF N=C(N)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076931 PIZJPRAPFPZHIJ-UHFFFAOYSA-N 366.812 3.336 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(C(=O)O)c1 587868800 TULDBKKXBBUBNG-UHFFFAOYSA-N 364.283 3.055 0 1 FGAF CN(Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@@H](C2)[C@]12c1c(cnn1C)CCN2C 963954914 MZEHEYPWYONVCP-ZVXPMLRVSA-N 364.537 3.281 0 1 FGAF O[C@@H]1CCN([C@H]2CCCC[C@H]2OCCc2ccccc2Br)C1 1772571454 PNVFQNPFMGVTKU-BPQIPLTHSA-N 368.315 3.386 0 1 FGAF Cc1cc(C)n(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)n1 12439599 DXMRZPMDFQNMHZ-KRWDZBQOSA-N 367.428 3.019 0 3 FGAF CC(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 12481851 NLKDETMTOAXGBQ-HOTGVXAUSA-N 359.445 3.164 0 1 FGAF biogenic CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Cl)cn3)cccc12 13761366 QVIHMHNAXFQPQO-UHFFFAOYSA-N 362.842 3.150 0 1 FGAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 13829230 LSIHNRUACNKZKD-QHIITQONSA-N 357.372 3.113 0 3 FGAF CC[C@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@@H]2CCC=C(C(=O)OC)[C@@]21C 14450527 LWGCQRKMFZQHHZ-WUNUXZTASA-N 374.433 3.231 0 1 FGAF biogenic O=C1C[C@H](c2ccccc2)CN1c1cnc2c(N3CCNCC3)cccc2c1 169347298 GIQNFCNDIZCJAU-IBGZPJMESA-N 372.472 3.165 0 1 FGAF Oc1cc(Nc2ccccc2)c(O)n1-c1ccc(N2CCOCC2)cc1 169689360 HRBKPYFWNYADOX-UHFFFAOYSA-N 351.406 3.469 0 1 FGAF Cc1cc(C)c(S(=O)(=O)NC(=O)CNc2cccc(Cl)c2)c(C)c1 1857567823 ILIVEUSNMAXFHH-UHFFFAOYSA-N 366.870 3.182 0 1 FGAF COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21 4092487 OJZPANNMVJWRFD-UHFFFAOYSA-N 368.462 3.144 0 3 FGAF Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@@H]3CCCO3)c(Cl)c12 4941109 JNDKRQJUBSEHLP-AWEZNQCLSA-N 370.840 3.291 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 27725109 SLKDSLAWMQSCJY-RIMJYPKNSA-N 369.527 3.134 0 1 FGAF CC1(C)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 27842037 JIVXKAOAGSRRKK-LCSKGXRCSA-N 367.489 3.437 0 1 FGAF NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1 34033653 MMFBBQQGBVPLQQ-GJZGRUSLSA-N 359.861 3.259 0 1 FGAF CC(C)c1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O 71315789 FWOTZGVQKLBNJT-UHFFFAOYSA-N 350.418 3.010 0 1 FGAF Cc1c(Nc2cccnc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1 73281009 IXBDPGUFMYIKLN-UHFFFAOYSA-N 371.441 3.312 0 1 FGAF CCCCN(CCCC)Cc1cn(C[C@@H](O)COCc2ccccc2)nn1 82153741 CCNYXUXLJNAOTE-OAQYLSRUSA-N 374.529 3.258 0 1 FGAF Cc1ccn2ccnc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226042751 UAXFMVZCPKSAKJ-ULQDDVLXSA-N 362.433 3.110 0 1 FGAF COc1cc2c(=O)c(-c3cc(OC)c(OC)c(OC)c3)coc2cc1O 238786279 LSIHEQWXGORBSQ-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COc1cc2c(=O)c(Oc3ccc4ccc(=O)oc4c3)coc2cc1O 238769410 PZXGRLBQVZMZAL-UHFFFAOYSA-N 352.298 3.406 0 1 FGAF CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C)C(=O)c1cc(OC)ccc12 95569610 BDVRGLWKWFOZAA-KNQAVFIVSA-N 365.429 3.188 0 3 FGAF O[C@@H](CCN1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 473134401 BZHQBWZOQLZBEY-IBGZPJMESA-N 355.507 3.125 0 1 FGAF CC(=O)Nc1cccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587242533 OZOAIKWUZCSPRD-UHFFFAOYSA-N 352.438 3.053 0 1 FGAF CCCc1nc(-c2nc3ncnc(Cl)c3[nH]2)nn1-c1ccccc1F 587155981 KFLIJHNHSCTWNC-UHFFFAOYSA-N 357.780 3.346 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587429765 WUWDISRNXNZRSY-YWZLYKJASA-N 350.349 3.249 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568637 IAFYVHQIYQNVGV-MAUKXSAKSA-N 354.337 3.276 0 1 FGAF CC(=O)OC[C@]1(c2ccc(Cl)cn2)CC(=O)c2cc(C)cc(N)c2O1 587379265 GWLSUEOSZZTZKB-SFHVURJKSA-N 360.797 3.049 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN1CCC[C@H]12 587591907 XJHKZFVLDYIJSQ-BBTUJRGHSA-N 351.402 3.351 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587164691 ZBJCILOQNDHZET-LJQANCHMSA-N 355.413 3.459 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065300 NKTDVZPKCREPSH-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF Cc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775691 UBYCLEIZLRJIGW-JDNHERCYSA-N 350.235 3.484 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C\C(=O)O)=COc2ccccc21 587406575 CQLDJGCAUWCJEW-IZRJCCQOSA-N 363.369 3.355 0 1 FGAF N[C@@H](c1ccsc1)c1nc2cccc(I)c2[nH]1 587024650 DFAPJBWMYRTTBP-JTQLQIEISA-N 355.204 3.277 0 1 FGAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(N)ccnc3[nH]2)c1 587202261 CVQSVCWYNGLKQL-UHFFFAOYSA-N 352.398 3.057 0 1 FGAF COC(=O)C12CC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2 587591827 HQJBUNOLQZMNFY-ZDCIPNPNSA-N 366.369 3.066 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1 587776184 BPRSJERKBBNTTL-HWPZZCPQSA-N 350.235 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@H](C)Cc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587452270 KIAFXNUVJOGQQU-JSKPFOEOSA-N 352.386 3.419 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCN(C)CC3)c1)O2 587397930 COCJVWNRCBFZFW-HXUWFJFHSA-N 351.450 3.036 0 1 FGAF N[C@@H](N=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085502 WWIZZDLNQQTDRA-HNNXBMFYSA-N 371.832 3.114 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nn(-c4ccccc4)nc31)O2 587391184 LIUOLMLWDOZMSV-NRFANRHFSA-N 360.417 3.355 0 1 FGAF COc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427805 GDZFGJOZMNELHI-KHXZYRMHSA-N 365.429 3.422 0 1 FGAF O=[S@@](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)CC1CC1 586959108 LHGNGXKLSBFTAO-HSZRJFAPSA-N 353.316 3.271 0 1 FGAF Nc1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1C(=O)O 587248064 BMCPISQQGRFRPS-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF Cc1csc([C@](O)(Cc2nc3c(C)nc(C)cc3[nH]2)C(F)(F)F)n1 587094907 WBHNZGRWFAWGKU-CQSZACIVSA-N 356.373 3.332 0 1 FGAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cnc2c(c1)OCCO2 962700078 FKIUFQNVWOKWFL-KUHUBIRLSA-N 372.465 3.445 0 1 FGAF C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 43775445 GRBUWTUDLWPUFY-RCCKNPSSSA-N 372.494 3.160 0 1 FGAF Cc1cnc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962952544 IRMSTOFOXACSBA-OAHLLOKOSA-N 351.372 3.478 0 1 FGAF CN(C)Cc1ccc(-c2nc(O)c3c4c(sc3n2)C[C@@H](CO)CC4)cc1 1772608826 JVCBFAUVUQDSSU-ZDUSSCGKSA-N 369.490 3.223 0 1 FGAF O=C(c1cccnc1)[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 12574925 RKUXXDFKIJIWSX-GOSISDBHSA-N 362.433 3.150 0 3 FGAF CSc1ccccc1OCc1cc(C(=O)NCc2cnc(C)cn2)no1 12710732 AZSWEZRYWOKTHX-UHFFFAOYSA-N 370.434 3.004 0 3 FGAF COc1ccc2c(c1)cc(C(=O)c1ccccc1)n2CCN1CCOCC1 13471083 DEILNCZIPOLLPS-UHFFFAOYSA-N 364.445 3.213 0 1 FGAF COC(=O)[C@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C 13816608 XUMFBWVLWILAGJ-LSTHTHJFSA-N 366.461 3.391 0 3 FGAF CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 13860538 NRPQWVBQYHJTFW-UHFFFAOYSA-N 352.478 3.257 0 1 FGAF CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C 14975842 XCBYGYHHTWZKKL-UHFFFAOYSA-N 369.509 3.421 0 1 FGAF CCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622145 QJADFBZNTPJMDY-MEWMNREUSA-N 352.471 3.251 0 1 FGAF CCCCCC=CC[C@H](O)[C@@H](O)[C@@H](O)C=CCC=CCCCC(=O)O 2356306184 GOHNIXDAQODZKP-CMKODMSKSA-N 354.487 3.353 0 1 FGAF CCOc1ccc(OCC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1 4400619 PAVDKMHQNKASTR-UHFFFAOYSA-N 370.453 3.129 0 3 FGAF Cc1ccc(-c2noc(CCC(=O)NCCCN3CCCCCC3)n2)cc1 4920909 LJXZQAWZFRSDDP-UHFFFAOYSA-N 370.497 3.360 0 1 FGAF COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccc(C)o1 7992826 XWSMSDONKNNNNB-VFNWGFHPSA-N 368.433 3.212 0 1 FGAF N=C(Nc1ccccc1I)N[C@H]1C[C@@H]2CC[C@@H]1C2 100653374 DQLPGROTTLXECV-BREBYQMCSA-N 355.223 3.416 0 1 FGAF O=S(=O)(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28340334 DMIYXXXUFQDFEF-UHFFFAOYSA-N 357.435 3.318 0 1 FGAF CO[C@@H]1C[C@]23COC(=O)C2=CCC[C@@H]3[C@](C)(CC[C@H]2COC(=O)C2)[C@H]1C 2356589088 SCUXVSVJZSSYMR-CRDLYCJVSA-N 362.466 3.270 0 1 FGAF O=c1oc2ccccc2c2c1CN(CCN1CC3CCC(CC3)C1)CC2 27734145 UDSYZVYWNFSNOT-UHFFFAOYSA-N 352.478 3.273 0 1 FGAF N=C1N[C@](c2ccccc2)(c2ccccn2)C(=O)N1CCCc1ccccc1 45322267 KLFBLVUHPRYXGC-HSZRJFAPSA-N 370.456 3.325 0 1 FGAF Cc1c(Cc2cc3ccccc3n2C)c(=O)on1C(=O)N1CCCCC1 40954429 KAQRUJLOUGEBEJ-UHFFFAOYSA-N 353.422 3.286 0 1 FGAF CCCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40938007 ZABHSAVWAYGPIN-UHFFFAOYSA-N 354.458 3.356 0 1 FGAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 40845140 SYNOFHSEGINBLR-QFIPXVFZSA-N 364.445 3.110 0 1 FGAF COc1cccc(COC(=O)C2=C(C)N(C)C(=O)N(C)[C@@H]2c2ccco2)c1 95591378 JQEGEAQNFIYCCD-GOSISDBHSA-N 370.405 3.344 0 1 FGAF On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(Cl)n1 96910965 APSUFLNREWCSEB-UHFFFAOYSA-N 357.845 3.153 0 1 FGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cn[nH]c1 473154238 FOQOBSPAGHTONT-UHFFFAOYSA-N 366.764 3.116 0 1 FGAF O=C1CCC(c2ccccc2)(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 586877984 ZQMDPMZIDMRGEW-UHFFFAOYSA-N 370.430 3.239 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CCC2)N1 587755394 NZHBTINYWXFBON-RNCFNFMXSA-N 355.251 3.080 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(N)=O)s2)N1 587849298 SFIFUXPAJQCMCB-JKYUHCHBSA-N 369.259 3.372 0 1 FGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O 587096070 FHRZLMJLSUNPPB-CMPZQBNXSA-N 370.408 3.067 0 1 FGAF Nc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572449 VCMJGPIXNNPMHH-YJBOKZPZSA-N 352.321 3.211 0 1 FGAF COc1ccc(C=O)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1OC 587787155 QANUPLKZQPLKCF-UHFFFAOYSA-N 351.284 3.473 0 1 FGAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)O 587439553 BNGBRSCINYRIRC-KUHUBIRLSA-N 354.358 3.281 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2N)N1 587746127 LLYPZOQKOHQUBX-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccn4)C[C@H]1C)[C@@H](C2)C3=O 587434587 BIECWJXXONNYNM-GHNFSYLKSA-N 364.445 3.118 0 1 FGAF C[C@@H](O)c1ncc(-c2nc3cccc(I)c3[nH]2)s1 587022837 ZUKFALDNVBPHQY-ZCFIWIBFSA-N 371.203 3.344 0 1 FGAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587027137 PSBOCHVIJIVDIJ-UHFFFAOYSA-N 363.406 3.154 0 1 FGAF COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1OC 587005836 VRIPTBRQDKDRTM-UHFFFAOYSA-N 369.606 3.453 0 1 FGAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587784174 DXSSOHPZLAVKFR-ZIAGYGMSSA-N 350.374 3.278 0 1 FGAF Cc1cc(=NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]o1 587509645 DNBRLVQAIOAVCF-HXUWFJFHSA-N 354.406 3.036 0 1 FGAF COC(=O)[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 137724479 KZZJIEHIKZJMSF-FKIZINRSSA-N 350.455 3.302 0 1 FGAF CCC(CC)[C@@H](C(=O)NC1CCCCC1)N1C(=O)C(=O)c2ccccc21 206050416 SGELJPKHDYCFJK-SFHVURJKSA-N 356.466 3.470 0 3 FGAF CC1(C)[C@@H](CNC(=O)N2CCCCC2)C[C@H]1CNC(=O)N1CCCCC1 2502259 CLWQZFANUTXBSZ-CALCHBBNSA-N 364.534 3.040 0 1 FGAF CCCCNC(=O)CN1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 3050430 BHZCUJWOTQHPNK-INIZCTEOSA-N 363.461 3.175 0 1 FGAF CN1CC[C@]2(c3cccc(O)c3)C[C@H](NC(=O)c3ccccc3)C[C@@H]1C2 100725746 WDPFEPSDGHQGPI-KNKQGSTJSA-N 350.462 3.317 0 1 FGAF CC(=O)Nc1ccc(CN2CCOC[C@@H]2c2ncc(C(C)(C)C)[nH]2)cc1 2356299995 RPGPCNHDWJRKQY-QGZVFWFLSA-N 356.470 3.239 0 1 FGAF Cc1ccoc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 116822040 CHFJTTMZRPWKGR-STQMWFEESA-N 365.355 3.210 0 1 FGAF Fc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cncnc5)C[C@@H]3N4)cc2)c1 100107563 ZYWXWNJTNSSVNL-ZBYYUNFXSA-N 360.436 3.223 0 1 FGAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@H]3C[C@H]3C(=O)O)c2cn1)c1ccccc1 219767259 KTFYTEZRZJPGEJ-KGYLQXTDSA-N 365.393 3.029 0 1 FGAF C[C@@H]1OC(=O)[C@](CC(=O)c2ccoc2)(c2cccc3c2COC3=O)[C@@H]1C 14690270 RQRKBQRRGRWHRG-JGRMJRGVSA-N 354.358 3.042 0 1 FGAF biogenic COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N(C)C(C)C)n2)cc1 82067240 QDIDQJBBOFZXOF-INIZCTEOSA-N 373.457 3.108 0 1 FGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnc5ccccc5c4)nc3n21 148484039 GNBSFKOHIIYQLM-LBPRGKRZSA-N 371.400 3.141 0 1 FGAF C/C(C[C@H]1OC(=O)C2=CCCC(=O)[C@@]21C)=C1/C[C@H](c2ccoc2)OC1=O 238774715 YSMKTAQFAWMSRW-LFJQTHAUSA-N 356.374 3.195 0 1 FGAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)CC1 25431360 QLPKHAWDBPBDEK-CVEARBPZSA-N 369.534 3.090 0 1 FGAF biogenic COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CN)CC[C@@H]12 96891117 MBNVAANMLJITJU-AYHJQLAQSA-N 359.466 3.127 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587248761 DGQLWPOCYLCVNR-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF CC[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583387 VUNXEPHNEJHNRR-YLJYHZDGSA-N 350.374 3.393 0 1 FGAF CCOC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398512 DRYYJYCSUGBQBJ-SFHVURJKSA-N 355.390 3.226 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cnccn1)[C@@H](C2)C3=O 587430092 ZTUSEJSHXMFBTE-KKSFZXQISA-N 362.360 3.316 0 1 FGAF COC(=O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587589866 AXQJPEFVMPBRHD-LTBCBRHQSA-N 368.385 3.456 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(CCO)cc3[nH]2)cs1 587020429 SBUXGQHOIIRNRV-UHFFFAOYSA-N 374.466 3.492 0 1 FGAF CCOC(=O)C[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449026 DAHPYOWMDICMNG-YJYMSZOUSA-N 358.415 3.353 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)=O)c2ccccc21 587490854 ZTUZCEIYHLWSBL-OAQYLSRUSA-N 365.385 3.099 0 1 FGAF CN1C(=O)C[C@H]2CN[C@](Cc3ccncc3)(C(F)(F)F)c3cccc1c32 963031618 REPQUALTKNDBLW-UGSOOPFHSA-N 361.367 3.135 0 1 FGAF COc1ccc2c(c1OC)[C@]1(C(=O)Nc3cc(F)c(F)cc31)N(C)[C@H](C)C2 962638030 UQWKMHMTWVNGRN-CFMSYZGJSA-N 374.387 3.054 0 1 FGAF O=Cc1sc(F)cc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762358 ITYVKIAACJWRAV-FZMZJTMJSA-N 357.328 3.435 0 1 FGAF O=S1(=O)CC[C@@H](NCCOc2cc(F)ccc2Cl)c2ccccc21 205698245 AEFLXCQZNZJMOD-OAHLLOKOSA-N 369.845 3.366 0 1 FGAF CN(C)CCCN1C(=O)S/C(=C/c2ccc3cc(F)ccc3n2)C1=O 1772604187 KLTVQXPTRZVASJ-LFIBNONCSA-N 359.426 3.362 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCC(=O)O 13328432 ZOCFIYOANZRNDX-OVKYPMIZSA-N 354.487 3.043 0 1 FGAF O=C(Nc1ccncc1)[C@H]1C(=O)c2ccccc2N(Cc2ccccc2)C1=O 13818100 RDOYMVLVSNDQGV-LJQANCHMSA-N 371.396 3.066 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3cc(O)c(OC)c(OC)c3CN1CC2 14715570 DKCQBFHZGAIJOJ-MRXNPFEDSA-N 371.433 3.082 0 1 FGAF biogenic Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12 169350984 KDSQZTJITSCKHI-UHFFFAOYSA-N 353.385 3.310 0 1 FGAF Cc1ccc(NC(=S)N2CCN(C(=O)Cc3ccccc3)C[C@H]2C)cc1 1857564216 QPGINYZTGDPRTK-QGZVFWFLSA-N 367.518 3.467 0 1 FGAF O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 627398 ZPASTVSIWVFWPZ-HZPDHXFCSA-N 370.449 3.355 0 1 FGAF C[C@@]1(CC2CCCCC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356312691 DNICCXQXGLXWKX-RXVVDRJESA-N 374.433 3.016 0 1 FGAF c1ccc2c(c1)C[C@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 3776867 DHYRQVXQZAGWKI-GOSISDBHSA-N 350.462 3.310 0 1 FGAF in-vitro COc1ccc2c(c1)c(N)c(C(=O)c1cc(OC)c(OC)c(OC)c1)n2C 29136216 DIINDWQYGMTCQG-UHFFFAOYSA-N 370.405 3.026 0 1 FGAF Cc1cc(-c2ccccc2)cc(C)[n+]1CCc1ccc(S(N)(=O)=O)cc1 27984678 PXIOYXYTMVKLJJ-UHFFFAOYSA-N 367.494 3.148 0 1 FGAF Cc1cccc(CCNC(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)c1 101800325 KDQIGTDZRZEEFX-UHFFFAOYSA-N 374.444 3.217 0 1 FGAF O=C(Cn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21)NC1CCCC1 29222920 WQOSPGXDWOHRHW-SFHVURJKSA-N 365.477 3.423 0 1 FGAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)C[C@@H]12 74377516 BKHQPSUGKWGDDU-SJLPKXTDSA-N 366.465 3.130 0 3 FGAF C/C(=C\c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28522213 KFPTXAUKYBTSEX-SENZLTECSA-N 361.489 3.307 0 1 FGAF COC(=O)C1=C2CCC3=C2[C@]2(CC(=O)[C@@H]4[C@H](C)CN5C[C@H](CC3)[C@@]2(C)[C@@H]45)C1 2356693164 ZZXVVDFMOPWZCH-HKZXIPRQSA-N 367.489 3.276 0 1 FGAF Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 22941416 BKDQVRCFIJMWOR-LJQANCHMSA-N 363.505 3.090 0 1 FGAF CCNC(=O)/N=c1/[nH]c2cc(-c3cccnc3)cc(-c3ccccn3)c2[nH]1 34554096 IXXRRXMYIMRHHE-UHFFFAOYSA-N 358.405 3.250 0 1 FGAF CN1C(=N)N[C@@](c2ccncc2)(c2cccc(-c3cccc(F)c3)c2)C1=O 34806305 BYOHYWAJTOLKKC-NRFANRHFSA-N 360.392 3.128 0 1 FGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)cs1 82069427 AZMZIAJVLRCSLO-GFCCVEGCSA-N 360.435 3.146 0 1 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1cccc(Cl)c1F 40836375 ZNEIZVAADDECTA-AWEZNQCLSA-N 360.834 3.436 0 1 FGAF COc1ccc(C(=O)Nc2ncnc3nn(Cc4ccccc4)cc23)cc1 49525581 GRNUFXUVUIZJBM-UHFFFAOYSA-N 359.389 3.136 0 1 FGAF CCN1C(N(C)C)=Nc2ccccc2[C@H]1CC(=O)NCc1ccccc1 40766980 VCUHJGXHOPADEP-LJQANCHMSA-N 350.466 3.319 0 1 FGAF COC(=O)[C@]1(O)C=CC[C@@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]21C 82123381 WWNYZTBMVRRLJM-DLYZGYNQSA-N 374.433 3.170 0 1 FGAF O=C(N1CCN(Cc2cccc3ccccc23)CC1)n1nnc2ccccc21 95572040 JDGNPEWTICUFAZ-UHFFFAOYSA-N 371.444 3.370 0 1 FGAF COc1cccc(COC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccco2)c1 95587170 ZZRPAIYIPRFZAP-QGZVFWFLSA-N 356.378 3.002 0 1 FGAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(Cl)nc4)[C@@H]3C2)nc2ccccc21 253665825 HRIUMMSQJIKREG-ZSHCYNCHSA-N 368.868 3.379 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1OC 59777932 ZHHVNFYJMNMTJL-ZDUSSCGKSA-N 360.362 3.133 0 1 FGAF biogenic CC(C)=CCC/C(C)=C/CNCCN[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 299815026 QQXUUMQSOLWVHI-ZJCVNGMNSA-N 354.538 3.341 0 1 FGAF CC(=O)Oc1ccccc1[C@@H]1CC(C)=NN1C(=O)CN(C(C)C)C(C)C 653729284 YVSSXSZTMBPXRL-SFHVURJKSA-N 359.470 3.380 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594618 NGFLXURMIKNZSE-WIYYLYMNSA-N 367.401 3.125 0 1 FGAF Cc1nonc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345427 JAGLTKCIFNIPJV-LPHOPBHVSA-N 354.337 3.497 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 586920467 KRYVZDUSXRCLOZ-UHFFFAOYSA-N 356.447 3.424 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403186 KPYZKTMBRHVGAK-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF Cc1c(Br)cnc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc12 586927722 VUYNZRGLSKSLJL-UHFFFAOYSA-N 366.240 3.099 0 1 FGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1 587244458 IZKKUZZXTHGOCY-UHFFFAOYSA-N 368.784 3.146 0 1 FGAF COc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 587224297 RDZKEFCIENNVLN-SFHVURJKSA-N 358.401 3.486 0 1 FGAF CN1CCC([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587584441 YBRHPJDHSFXLLW-RXVVDRJESA-N 353.418 3.454 0 1 FGAF CCn1ncc(Br)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377065 KQRSPBTZTMKPEJ-CYBMUJFWSA-N 350.216 3.263 0 1 FGAF CC(=O)OCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587514474 AAAUVXMKMUMYDK-LJQANCHMSA-N 354.406 3.032 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 586916998 QQBYRHAGOSFQJO-JLTOFOAXSA-N 350.374 3.478 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586950214 CMTVCXFRXLHNCZ-UHFFFAOYSA-N 357.222 3.303 0 1 FGAF CCC12CN3CCN(CC(C3)[C@]13NCCc1cccc(-c4ccccc4)c13)C2 962662701 FVDSTOYGQOJRAE-ZZVXHFGESA-N 373.544 3.352 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]c4cnc(Cl)cc34)c3cccc1c32 963029243 NDDDVWXAFLYVKG-GIGQVBGESA-N 352.825 3.359 0 1 FGAF Cc1cc2c(cc1O)[C@@](c1ccc(C3CC3)nc1)(C1CC1)N[C@H](C(=O)O)C2 963489532 HPCPQMCZKKZYQM-UGKGYDQZSA-N 364.445 3.226 0 1 FGAF CCCCN1CC[C@H]2C=CC[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]2C1=O 12478675 FAMSMFGZJPRQRO-LZQZEXGQSA-N 356.466 3.475 0 3 FGAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 13337284 WDAMTPQABGTUDL-ZSEKCTLFSA-N 358.434 3.323 0 1 FGAF biogenic Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(-c3nn[nH]n3)cnc12 203424053 KKEHRCXNWIVIHK-UHFFFAOYSA-N 365.828 3.499 0 1 FGAF CC(C)(Oc1ccc(C(=O)c2cc3ccccc3oc2=O)cc1)C(=O)O 1857758776 HQTQHGVVQYWFJR-UHFFFAOYSA-N 352.342 3.266 0 1 FGAF CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 985456 NPYOUXKREMVCHM-SFHVURJKSA-N 352.390 3.024 0 3 FGAF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(C)c1)[C@H](O)C2=O 2356377795 LXGLWXNESDYZPZ-UXHICEINSA-N 370.401 3.298 0 1 FGAF C[C@@H](c1ccncc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366428 MUZLNSIUFMZLMA-DEYWJSPQSA-N 351.450 3.316 0 1 FGAF O=C1Nc2c(C(F)(F)F)cccc2[C@]1(c1ccc(O)cc1)n1ccnc1 64540595 CYHFULDVISFKNH-KRWDZBQOSA-N 359.307 3.352 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356493657 ANOICLBSJIMQTA-XWTMOSNGSA-N 350.455 3.027 0 1 FGAF O=C(NCCCN1CCC(Cc2c[nH]cn2)CC1)c1ccc(Cl)cc1 28563517 FWLOKSPMANPMRW-UHFFFAOYSA-N 360.889 3.138 0 1 FGAF COc1ccc(C)n2nc(CCc3nc(-c4ccsc4)cn3C)nc12 117861644 QRVNVRSQXDLVRQ-UHFFFAOYSA-N 353.451 3.294 0 1 FGAF COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2C)ccc1O 13400447 NDEQJXOUOQJARH-QGHHPUGFSA-N 370.357 3.417 0 1 FGAF biogenic COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14648579 WKTSZGRTOFXXAS-ZBEGNZNMSA-N 358.346 3.051 0 1 FGAF biogenic CCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82207765 ZRBFAJOGZHSQML-INIZCTEOSA-N 362.518 3.252 0 1 FGAF N=C(N)SCc1cccc2c1C(=O)c1c(CSC(=N)N)cccc1-2 84690750 KZPZQJQJVUEFJN-UHFFFAOYSA-N 356.476 3.151 0 1 FGAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OC)C(C)C)cs1 82070408 RNBQPJWSDNZDOL-HNNXBMFYSA-N 362.451 3.136 0 1 FGAF CC[C@@H](NC(=O)c1cc(OC)c(OC(C)C)cc1Cl)C1CC(O)C1 230523050 UALOEDXDELKTOL-KOHJWAIASA-N 355.862 3.415 0 1 FGAF Nc1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc(C(=O)O)c1 95562755 BFGROZUJEUSVRX-UHFFFAOYSA-N 358.353 3.431 0 1 FGAF CC[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)NCc1ccccc1 25427238 GLPGMMKOWDTXKZ-ZWKOTPCHSA-N 354.450 3.474 0 1 FGAF biogenic COc1ccc(NC(=O)CCSc2nc3cccnc3[nH]2)cc1OC 299825096 WGYZKUXWSKCAMK-UHFFFAOYSA-N 358.423 3.096 0 1 FGAF COC1=C(Br)[C@@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587417121 JLXXQZZBEGOKKC-HWPZZCPQSA-N 351.196 3.228 0 1 FGAF c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1CN1CCOCC1 587016742 NHHSVMVGPIGKFZ-KRWDZBQOSA-N 370.478 3.370 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cn1)OCO2 587588910 VFIUTNWYEWSVIE-YLJYHZDGSA-N 363.325 3.219 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)O)c4ccccc14)[C@@H](C2)C3=O 587431898 RJLKDPXGFJQTAP-QKKBWIMNSA-N 363.369 3.223 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(C)(OC)OC)CC2=O 587466581 AIPYHPZFSWCWNF-SGWGQVFISA-N 363.454 3.133 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)(c1nccn1C)O2 587385186 MQQCGPDDCGKYPT-FQEVSTJZSA-N 351.381 3.359 0 1 FGAF COC(=O)c1cc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2cc1OC 587057212 OJWCVMMRNLNHOH-CYBMUJFWSA-N 359.813 3.254 0 1 FGAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587399151 ISMVIMITXOBRKQ-HXUWFJFHSA-N 357.406 3.484 0 1 FGAF Cc1c(F)ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587204475 YVFLOYSGBRTPHN-OAHLLOKOSA-N 371.368 3.453 0 1 FGAF COC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 587235748 QPKZDONTDMZXDK-VXGBXAGGSA-N 374.441 3.295 0 1 FGAF CC1=C(c2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)NNC(=O)C1 586899408 WDJAJFUAOCQOSX-UHFFFAOYSA-N 360.417 3.104 0 1 FGAF CCN1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580874 FFXDYWQRLJYESZ-RXVVDRJESA-N 353.418 3.454 0 1 FGAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(=O)OC)ncc2[nH]1 587927701 STIXXQRXWAUPLJ-GFCCVEGCSA-N 355.394 3.304 0 1 FGAF CC(=O)CSc1nc2c(sc(=S)n2C)c(=O)n1-c1ccccc1 957869001 VVHPPPBLDLVWDB-UHFFFAOYSA-N 363.489 3.196 0 1 FGAF COc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1O 1772651571 OTYDNZOLJHWXEM-UHFFFAOYSA-N 353.330 3.085 0 1 FGAF C[C@H]1CN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C[C@@H](C)O1 12318921 AZOSAPRGSJNJHA-OKILXGFUSA-N 367.405 3.051 0 1 FGAF COc1ccc([C@H]2C=C(C(=O)O)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 13657261 RFXNVLVMSLCBFH-FXAWDEMLSA-N 370.401 3.203 0 3 FGAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1/C(c1ccccc1)=N/CC2 169372300 SMXVQIYDUOXWMH-LSDHQDQOSA-N 365.868 3.376 0 1 FGAF CC(=O)c1cccc2c1OC(C)(C)[C@@H](O)[C@@H]2NC(=O)c1ccc(F)cc1 836239 VQTZWZYSOPISCU-AEFFLSMTSA-N 357.381 3.031 0 1 FGAF COC(=O)c1c(NC(=O)CSc2ccccc2N)sc(C)c1C 929793 QHNDICJDDRCVOG-UHFFFAOYSA-N 350.465 3.465 0 3 FGAF CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1 1381350 IIZRFHCZOLNENY-QMMMGPOBSA-N 363.222 3.295 0 3 FGAF C[C@H](SC(=S)N(C)C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 1658303 WLZKUZUIXOKTKB-QMMMGPOBSA-N 370.887 3.297 0 1 FGAF C[C@H]1C[C@H](C)CN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)C1 2465448 HVJNHTJFHLDLFD-KBPBESRZSA-N 351.450 3.148 0 1 FGAF O=C(Oc1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1 3956066 VALMSYYYLWCEFV-UHFFFAOYSA-N 352.438 3.358 0 1 FGAF Cc1ccc2c(c1)CN(CC(=O)N[C@H]1CCc3ccccc31)C[C@@H](C)O2 104293077 OVYAQLXZAVFDFG-UZLBHIALSA-N 350.462 3.382 0 1 FGAF CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1 40951801 CDUCCZKHIIXOFH-UHFFFAOYSA-N 370.471 3.431 0 1 FGAF Cc1ccc(-c2nc(C(=O)NCC(=O)NCC3CCCCC3)co2)cc1 82071948 JENPFQCRGYPJNS-UHFFFAOYSA-N 355.438 3.076 0 1 FGAF CC[C@@H]1C/C=C\C[C@@H](c2ccc(OC)cc2OC)NC(=O)[C@H](C)CC(=O)N1 95661938 AELWNOGVSMDSML-XIUGUFOCSA-N 374.481 3.132 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21 261124461 KAQKFAOMNZTLHT-OTIPNXQFSA-N 352.471 3.409 0 1 FGAF in-vitro C1=CN2C=CC1=NCc1cccc(c1)CN=C1C=CN(C=C1)CCOCC2 377815081 YQGQNVGMQPNWGC-UHFFFAOYSA-N 360.461 3.285 0 1 FGAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CCOCC1 299848124 RIVHKFKXQNJYDP-XLIONFOSSA-N 371.525 3.423 0 1 FGAF CCOC(=O)C[C@]1(c2sc(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587415365 ZJEIXWHJKJSNIC-IBGZPJMESA-N 374.462 3.464 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587236316 UOOYXNBOUGELBU-UWVGGRQHSA-N 366.259 3.210 0 1 FGAF CN(C)CCOc1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 587243564 GIXAQYGIRRMYCX-KHPPLWFESA-N 350.422 3.155 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc(C(F)(F)F)ccc1=O)O2 587382219 KNLJIYUTGCHVNC-KRWDZBQOSA-N 366.339 3.182 0 1 FGAF CC(=O)NC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587739527 AJKDUIIQVBUAAG-OPFFKBQKSA-N 369.278 3.396 0 1 FGAF CC(=O)N(c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)C1CC1 587413432 NXKCWURFJAMPKH-MRXNPFEDSA-N 357.435 3.256 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccn(C)n1)O2 587384332 KALKQAFVVQZOAC-FQEVSTJZSA-N 351.381 3.359 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(F)cc21 587472421 QDDZMEAWRXXGTN-HXUWFJFHSA-N 355.365 3.321 0 1 FGAF CSc1ccc([C@H](O)C2=C3C=C[C@@H]4C[C@@]3(OC2=O)[C@H]2CCCCN42)cc1 1772636117 PSNCGIBYJREAEI-DYZHCLJRSA-N 369.486 3.231 0 1 FGAF CCN(CCOC)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167260189 GJAGKGZGMPAZGA-UHFFFAOYSA-N 367.449 3.343 0 1 FGAF CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 205815881 ZCKUKNLXYYMSBU-UHFFFAOYSA-N 366.461 3.186 0 1 FGAF O=C1NC(=O)[C@@H](Cc2ccc(OCCn3cnc4ccccc43)cc2)S1 1857637915 PXKNQYRSNVTRNQ-QGZVFWFLSA-N 367.430 3.009 0 1 FGAF CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 1857764589 QTKFJMRRWITWJT-UHFFFAOYSA-N 370.449 3.243 0 1 FGAF Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc21 594223 QJTIXJPBVMBZGE-UHFFFAOYSA-N 370.840 3.240 0 1 FGAF CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 4617891 KRRWEDJIVLDJJK-UHFFFAOYSA-N 373.796 3.177 0 1 FGAF Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccccn2)CC1 6818464 PTSBOMHABHZSJC-UHFFFAOYSA-N 364.424 3.487 0 1 FGAF O=[N+]([O-])OCCNCCCCNc1c2c(nc3ccccc13)CCCC2 29135899 IFIQVKGESREEDD-UHFFFAOYSA-N 358.442 3.104 0 1 FGAF C[C@H](NC(=O)c1ccccn1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356302184 NZQKJGLVCFQPCU-JTQLQIEISA-N 355.325 3.065 0 1 FGAF O=C(NC[C@@H]1CCN2CCCC[C@@H]2C1)c1c2n(c3ccccc13)CCCO2 27088836 NXGXTRKGFHRWQX-IAGOWNOFSA-N 367.493 3.418 0 1 FGAF CC1(C)Oc2ccc(Br)cc2C(Oc2ccc(O)nn2)=C1O 26658833 BEXNYJZAEHJONA-UHFFFAOYSA-N 365.183 3.421 0 1 FGAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCCc2ccncc2)[nH]n1 61902597 DMIURQHBHAFKPE-UHFFFAOYSA-N 368.412 3.371 0 3 FGAF CCC(C)(C)C(=O)OC[C@H]1CCCC[C@@H]1CC[C@H](O)C[C@@H](O)CC(=O)O 27560481 PVLHCKXVZJHGSV-WCXIOVBPSA-N 372.502 3.139 0 1 FGAF COC(=O)c1ccc(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)cc1 26838705 CUCJJEGMZKNAQV-UHFFFAOYSA-N 353.422 3.474 0 1 FGAF CCc1c(C(=O)Nc2ccccc2)c(C)nc2sc(C(N)=O)c(N)c12 66123375 YPBTVDKAEIWSAW-UHFFFAOYSA-N 354.435 3.101 0 1 FGAF COc1ccc(-c2noc([C@H](C)NC(=O)NC(C)(C)C)c2C(=O)O)cc1 2356742720 VRABVHDYXWTUJL-JTQLQIEISA-N 361.398 3.207 0 1 FGAF O=C(c1nc2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(F)cc2)CC1 35259646 VWSJKECLUAWJOY-UHFFFAOYSA-N 355.369 3.091 0 1 FGAF O=C(O)c1ccc(-c2ccc(C(=O)O)c3c2CCC3=O)c2c1C(=O)CC2 14614235 KTRGNOBQQZGOGZ-UHFFFAOYSA-N 350.326 3.008 0 1 FGAF biogenic COc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)cc1OC 40918264 AWNPYJYTFQDIKV-MRXNPFEDSA-N 369.425 3.155 0 1 FGAF Cc1nc2cccnc2n2c(-c3cc(CCC(C)(C)O)ccc3F)nnc12 145739891 VTYDLKIESUQRDD-UHFFFAOYSA-N 365.412 3.491 0 1 FGAF O=C1OCC(OCCOC(=O)c2ccc(Cl)cc2)=C1c1ccccc1 96914286 AXAPYDYBSSUBQR-UHFFFAOYSA-N 358.777 3.482 0 1 FGAF Cc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)NCc2ccccc2)cc1 95599576 BPVBOXTVWNZWGT-NRFANRHFSA-N 368.502 3.146 0 3 FGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](C(C)(C)C)[C@@H]4[C@@H](C2)N(C)CC[C@]314 253633580 ISCBIDVJEHJCIE-IIQJJBLYSA-N 355.478 3.206 0 1 FGAF COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 261130694 LBHLXRSCRQWUHK-MOXWOTFGSA-N 366.461 3.332 0 1 FGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3CC3)[nH]c2c1 587963919 WAXAZEGAGIGBJP-UHFFFAOYSA-N 357.435 3.325 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1 586941367 SKIFVRKNQPDWMW-HJWRWDBZSA-N 362.842 3.010 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(C)n[nH]c1C 587870047 TZPLQZNTFJUWCK-UHFFFAOYSA-N 365.315 3.001 0 1 FGAF CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 587580926 JXJFZBOMPBXTFI-QFBILLFUSA-N 365.389 3.442 0 1 FGAF CCCc1nc(-c2nc3c(OC)nccc3[nH]2)nn1-c1ccccc1F 587156236 RBRAHDSPMRFWAN-UHFFFAOYSA-N 352.373 3.306 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CC3C[C@H]2CN(C3)C1 587593000 ZVYWGXGCDAOHKK-CTVWFLHWSA-N 363.413 3.064 0 1 FGAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763098 HYDPUFBDCAUEMQ-JDNHERCYSA-N 352.251 3.428 0 1 FGAF FC(F)(F)c1cncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587115733 ZLFAKEXKLJMBMH-UHFFFAOYSA-N 362.355 3.476 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)NC)(c1ccccc1)CC2=O 587469083 HSBSJHBORXMLTE-OAQYLSRUSA-N 353.418 3.342 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397517 BJZPLOLKAXHWEJ-QJPIZNMWSA-N 372.465 3.414 0 1 FGAF CCCCOc1cc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br 587235298 MYNKIDAGIIDOJD-VHSXEESVSA-N 366.259 3.354 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586938413 VNDQRZZULGMEJK-JTQLQIEISA-N 364.858 3.355 0 1 FGAF CN(C)/C=C/[C@@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517554 PQHDQIGABHYYRI-KONDSOJQSA-N 351.450 3.235 0 1 FGAF CN1CCN(c2ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc3c2)CC1 587060981 XWBZGBZSYVTWDC-UHFFFAOYSA-N 369.856 3.220 0 1 FGAF NC1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587575703 KMDDBBNNAAPLGU-KNQAVFIVSA-N 373.364 3.442 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 586936887 BDEYYWWGHYOYTI-NSHDSACASA-N 373.434 3.005 0 1 FGAF CS(=O)(=O)c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cn1 963115712 AOVCIGZYLQJQRX-OAHLLOKOSA-N 357.262 3.027 0 1 FGAF C[C@]1(c2ccc(OCCCF)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906399 FWTFSOUFNKGZCJ-AZUAARDMSA-N 361.388 3.427 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](C(C)(C)NC(=O)OC(C)(C)C)c3cccc1c32 963023311 JSBXSDIUBRHSJJ-SJCJKPOMSA-N 359.470 3.084 0 1 FGAF COc1cc2c(cc1C(N)=O)CC[C@H]1C(C)(C)c3oc(C)nc3C[C@]21C 1772587703 QPLUTOCEAPPURL-LAUBAEHRSA-N 354.450 3.445 0 1 FGAF Cc1nn(C)cc1CN(C)C(=O)CCc1nnc(CCC2CCCCC2)o1 12208723 XKULXPHVFMIECM-UHFFFAOYSA-N 373.501 3.216 0 3 FGAF CC(C)C(=O)Cc1c(OC[C@@H](O)C(C)(C)Cl)ccc2ccc(=O)oc12 14490904 ABSHGVKRCLSRQK-MRXNPFEDSA-N 366.841 3.318 0 1 FGAF endogenous,in-man FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1 1857536496 WLRKSEXUUNRJJI-UHFFFAOYSA-N 356.485 3.438 0 1 FGAF COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2)cc1O 1857586793 RACFGZBMVCDIDQ-CYBMUJFWSA-N 360.406 3.220 0 1 FGAF COc1ccc(/C=C/[S@](=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857648500 HZVCACSHIRILJU-NJFIGMEYSA-N 364.419 3.205 0 1 FGAF O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1 1857647640 JGNYMLOLJAGITA-DYTRJAOYSA-N 370.456 3.366 0 1 FGAF CO[C@@H]1CC(=O)c2c(cc(C)c3c2O[C@H](C)[C@]3(C)[C@H](O)CC=C(C)C)[C@@H]1O 2356326621 YTSDPGXQZGDXTJ-VXEURUTLSA-N 374.477 3.386 0 1 FGAF COc1ccc(Cc2n[nH]c3c2CN(C(=O)c2ccsc2)CC3)cc1 23380188 QLXARHYBWZLLLZ-UHFFFAOYSA-N 353.447 3.269 0 1 FGAF O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1SCCN1C(=O)c1ccccc1 66252616 HCZFRIFBXMIZIX-TYWTZVHKSA-N 370.518 3.143 0 1 FGAF NS(=O)(=O)Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1F 28711993 RNCQNKXXGGQTJV-UHFFFAOYSA-N 352.284 3.266 0 1 FGAF CCC(CC)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 114711825 FTMBOYIIQVPXSA-ZSHCYNCHSA-N 369.465 3.451 0 1 FGAF COC(=O)c1sc2cc(Nc3ccc(OC)c(OC)c3)cnc2c1N 66259422 ALITVRXHJVWCDC-UHFFFAOYSA-N 359.407 3.426 0 1 FGAF CC(=O)O[C@@H]1C=C(C)CCC=C(C(=O)O)C[C@@H](OC(C)=O)[C@H]1C(C)C 2356476408 DMIGIXZMNGJDMW-KURKYZTESA-N 352.427 3.263 0 1 FGAF CN1CC[C@]23c4c5ccc(-c6ccsc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 26506483 AQBOBFADHSBHCU-ZCZMFWIKSA-N 351.471 3.221 0 1 FGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@@H](C)CC(=O)O)[C@H](C)c1ccccc1 2356786555 AVTHWMAILGATEZ-YRNRMSPPSA-N 373.449 3.204 0 1 FGAF CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 14967640 POHNKSHNRFOJER-FCLVOEFKSA-N 370.401 3.219 0 1 FGAF biogenic C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075229 YZAGFNSTLFFQRX-UCNVEGJOSA-N 351.494 3.271 0 1 FGAF COc1ccc(C(=O)CSc2cnnn2Cc2ccccc2)cc1OC 49034783 ZFTIFOTWJISFDT-UHFFFAOYSA-N 369.446 3.319 0 1 FGAF CCCCc1nnn2c1[C@@H]1c3cc(-c4cccnc4)ccc3CCN1C(=O)C2 199736681 UEVXBFCZOYKILK-NRFANRHFSA-N 373.460 3.170 0 3 FGAF Cc1cc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1 143095665 SGNPVBGWJKYZTI-UHFFFAOYSA-N 373.464 3.078 0 1 FGAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1cccs1 95603120 AAPNBJMAZSVBPZ-LJQANCHMSA-N 367.478 3.378 0 3 FGAF Nc1cccnc1C(=O)Nc1ccc(N2C(=O)[C@H]3CC[C@H]2C3)c(Cl)c1 653849322 YFJMQCAHONJBTO-JQWIXIFHSA-N 356.813 3.085 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)cc2[nH]1 587225001 LZUVJYYKJMGQSA-NSHDSACASA-N 374.238 3.409 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ncccn23)N1 587775639 SOXJFESPPBJJPH-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433747 VUFKAFOAYXBATM-AGKSTNPPSA-N 359.422 3.259 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cn1 587244423 FEQCQKAHLZIIPX-UHFFFAOYSA-N 352.394 3.381 0 1 FGAF O=C(O)c1ccccc1/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1 586879855 NYXNDKCIHHJLDD-SOFGYWHQSA-N 363.417 3.264 0 1 FGAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587962083 HWOXLOWQLNBESR-DTWKUNHWSA-N 360.357 3.014 0 1 FGAF COC(=O)c1ccnc2[nH]c(Cc3ccc(Br)c(C)c3)nc12 586975760 FSPUXEOUCOPJDE-UHFFFAOYSA-N 360.211 3.406 0 1 FGAF Nc1cncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587254939 ZCWXAJYAUFNKCH-UHFFFAOYSA-N 369.020 3.127 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)N(Cc3ccccc3)CC1)O2 587395766 OGXNHQKLYOPFMS-QFIPXVFZSA-N 364.445 3.494 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587837761 KXFXRMRCJYTUDJ-QEPDGOKGSA-N 368.246 3.408 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cnn(C)c2)N1 587761164 SSIYOCWTPJTROG-MGPLVRAMSA-N 352.251 3.314 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2ccc(F)c(Br)c2[nH]1 587194677 KXQLAEQMGAFANT-UHFFFAOYSA-N 350.195 3.296 0 1 FGAF C[C@@H](OC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21)c1ccccc1 962902762 LWQPECZHGXCJLM-LZHZSBQWSA-N 371.408 3.334 0 1 FGAF Cc1c(O)ccc2c1[C@]1(CCNc3cccc(Cl)c31)N[C@H](C(=O)O)C2 963509594 OHNWJJTWNQDIDR-LIRRHRJNSA-N 358.825 3.012 0 1 FGAF C[C@@H](c1ccc(-c2cccc(C(=O)O)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948199 QOHCKNSBKXAMAV-AGRHKRQWSA-N 370.424 3.053 0 1 FGAF O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1 14959117 IQQCVFADEOAMTK-UHFFFAOYSA-N 356.813 3.198 0 1 FGAF COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cc1F 169700505 HTSCRPWAPBUQNJ-UHFFFAOYSA-N 369.400 3.007 0 1 FGAF COc1ccc(C[C@@H]2CO[C@H](OC)[C@H]2Cc2ccc(O)c(OC)c2)cc1O 206944413 BHZULQULDFGRFF-XFQAVAEZSA-N 374.433 3.135 0 1 FGAF O=C(COc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205222975 KLSRPWWAQIBPAO-CZUORRHYSA-N 374.799 3.119 0 3 FGAF CC(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 1857587812 GYLUSAFNLHSMSZ-UHFFFAOYSA-N 370.434 3.092 0 1 FGAF CC[C@@H]1CC=CCc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 253986435 GQHJEOPNYJIXRG-OXFYSEKESA-N 358.434 3.099 0 1 FGAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 2480489 VTJZOMBPFCXSBS-UHFFFAOYSA-N 356.378 3.377 0 1 FGAF CNC1=Nc2cc(-c3cccc(CCC(=O)O)c3)sc2N2C(C)=CN[C@@H]12 101442090 KDLOHLHNQUFWGR-GOSISDBHSA-N 368.462 3.292 0 1 FGAF CCCN1C(=O)COc2cc(CN3CCN(c4ccccc4)CC3)ccc21 103249213 LUUUSEXDOHCPPQ-UHFFFAOYSA-N 365.477 3.144 0 1 FGAF CCCCNC(=O)Nc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c(Cl)c1 28768212 YDQOKEKJAWQKNF-BBRMVZONSA-N 371.909 3.388 0 1 FGAF COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@]53OCC4 2356675577 BCCJQPBCOKOJHR-GBAJDQEWSA-N 368.477 3.064 0 1 FGAF CC1(C)OC(=O)C(OC2CCCC2)=C1c1ccc(S(C)(=O)=O)cc1 26280772 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0 1 FGAF O=c1c(Br)c[nH]cc1-n1c(O)ccc1OCc1ccccc1 587942358 WHIVFSYTWVPMII-UHFFFAOYSA-N 361.195 3.213 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(O[C@@H](C)C(=O)O)c1)O2 587400796 OVIOITGNQAMEEA-FKIZINRSSA-N 355.390 3.310 0 1 FGAF Cc1c(F)ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12 587023499 DTOZKNVXLRPQRV-UHFFFAOYSA-N 363.418 3.222 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587442341 KHKQUZSBLRTTLZ-DJJJIMSYSA-N 356.374 3.210 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(N)=O 587857905 BYGLXMQFXNIYQM-UHFFFAOYSA-N 356.209 3.161 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cn(C)nc1C)CC2=O 587477758 URRNCTAFUCTJHP-XPTLAUCJSA-N 369.465 3.323 0 1 FGAF CC(C)(SCC(=O)O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586959940 TXUCWCJIRQPQOY-UHFFFAOYSA-N 356.451 3.447 0 1 FGAF COc1cc2c3c(c1)O[C@](Cn1ccnc1)(c1cccc(F)c1)[C@@H](C2)C3=O 587428520 NTTNLNUTCZRRIT-LAUBAEHRSA-N 364.376 3.374 0 1 FGAF COc1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2n1 586969976 DFKYEGRHDXDHRM-UHFFFAOYSA-N 356.451 3.189 0 1 FGAF COCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587772713 GGOXMRHRCJRKOY-ABKXIKBNSA-N 366.234 3.148 0 1 FGAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CO)C1CC1 961792271 XXQDTDIAVKFVTA-OAQYLSRUSA-N 358.482 3.436 0 1 FGAF COc1cc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)ccn1 963086558 AFNBJEFLUPWGDC-HRAATJIYSA-N 370.424 3.358 0 1 FGAF CCc1ccc(OCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 205777667 UGQHLSRGZUTZMG-UHFFFAOYSA-N 368.477 3.094 0 1 FGAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)CCC(=O)c2cccs2)[C@@H]1C 5078751 JKLZLEHKDMFFMK-BFHYXJOUSA-N 351.468 3.195 0 1 FGAF CC[C@@H]1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 5923367 METLQVFFFUYXNT-QTPGKHNVSA-N 354.450 3.044 0 1 FGAF biogenic CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 5996564 LEHPVQYYMXMDNK-HNNXBMFYSA-N 373.884 3.395 0 1 FGAF CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CSc3nncn3C)C2)cc1 11932921 IEBIVNXKINKOOM-QGZVFWFLSA-N 373.526 3.134 0 3 FGAF Cc1nc2cc(-n3ncc(C(=O)c4ccc5cc[nH]c5c4)c3N)ccc2[nH]1 150199001 LPGUBECPFWELLC-UHFFFAOYSA-N 356.389 3.352 0 1 FGAF Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCc1ccccc1F)CO2 201466555 STFXXGQNXAXAAY-UHFFFAOYSA-N 365.408 3.249 0 3 FGAF C[C@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 205817734 HLMDCYKYQXQYEE-VIFPVBQESA-N 369.204 3.201 0 1 FGAF CCN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1 209332917 SALDCSUVUPPELW-SSZFMOIBSA-N 369.446 3.311 0 1 FGAF CC[C@@H]1CC=CCc2ccccc2[C@@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 254101141 GQHJEOPNYJIXRG-MDYRTPRTSA-N 358.434 3.099 0 1 FGAF COc1ccc(NC(=O)[C@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 7991261 GAKWIJXVOUCJFJ-PLMTUMEDSA-N 366.417 3.004 0 1 FGAF Cc1nn(C)c(C)c1-c1ccnc(NCc2c[nH]nc2-c2ccccc2)n1 23478297 DFUJQZXZZZIKRA-UHFFFAOYSA-N 359.437 3.496 0 1 FGAF O=C(O)CCN1CCC(=C2c3ccccc3OCc3ncccc32)CC1 27560779 BSSFPLPFKSAVSL-UHFFFAOYSA-N 350.418 3.346 0 1 FGAF COC(=O)C1=CCC[C@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 2356418021 VDWIZUGYFOMUJZ-WJMWBRGCSA-N 366.498 3.292 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@H](C=C[C@@]12C)[C@]43O 2356631716 LRXSXOUROHJARD-HUWIYQCESA-N 369.505 3.129 0 1 FGAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]3CCCCN23)CCC1 2356655497 HTZABNNPQGCYSI-BIRZXAFVSA-N 357.542 3.240 0 1 FGAF COc1cc2c(cc1OC)[C@H](O)c1c(C=O)cc3ccc(O)c(OC)c3c1-2 14883506 NFTOWXYLSPBKQL-FQEVSTJZSA-N 366.369 3.446 0 1 FGAF biogenic CCOC(=O)c1c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+](C)c1C 34800805 XIYWKFCGSCFGAW-UHFFFAOYSA-N 356.442 3.402 0 1 FGAF COc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4)nnc3c2c1 44889033 KIPNAJIOMODVRC-UHFFFAOYSA-N 365.418 3.246 0 1 FGAF CC(C)Oc1cc2c(-c3cc(N4CCOC[C@H]4C)ncn3)n[nH]c2cc1F 221292593 DCNSBRYZUKAPPM-GFCCVEGCSA-N 371.416 3.171 0 1 FGAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1N 49035968 FPPQEBADKYGEEV-INIZCTEOSA-N 371.437 3.084 0 1 FGAF NC(=O)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 96928935 BYLLBNOPCAZGOA-ZHACJKMWSA-N 351.431 3.434 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)CC[C@]34C)C1=CC=C2n1ccnn1 144168226 YTTMURDZWPRXFV-XTNBKJMLSA-N 352.482 3.418 0 1 FGAF NC(=O)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 618008673 VESFCDKEAFEGNI-UHFFFAOYSA-N 362.477 3.269 0 1 FGAF CCNC(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C)nc12 299853247 IGPHRGQVBIEWSO-UHFFFAOYSA-N 370.428 3.040 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CO[C@@H](C2)O3)[C@H]1c1ccc(F)cc1 587357274 MOAKVIGXMOOWIP-MKNHVETJSA-N 356.349 3.164 0 1 FGAF O=C(c1cccnc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657184 XWPHSQCVNQYCAB-UHFFFAOYSA-N 363.323 3.425 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(F)cc(F)c3O)nc-2[nH]1 587134396 RAAZIICISRAGSH-UHFFFAOYSA-N 369.331 3.273 0 1 FGAF O=C([C@H]1CCCOC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659932 LCLZBLZPGBNFBR-AWEZNQCLSA-N 352.365 3.269 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(=N)[nH]2)N1 587856699 YWWDXOVEXJTSMC-WJWGPLDTSA-N 356.264 3.255 0 1 FGAF Cc1c(Br)cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 587119320 VZWQAUGHXQIYNI-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(CN)c3)nc2c1 587246535 RYIBKPPPSVVENE-UHFFFAOYSA-N 360.211 3.238 0 1 FGAF CSc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587169698 HVRWSGZXEUCPGL-UHFFFAOYSA-N 365.455 3.245 0 1 FGAF CNC(=O)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510506 HQPIWKHISTWLBA-FQEVSTJZSA-N 365.429 3.397 0 1 FGAF COc1cccc(OC)c1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772592657 MJEWCPGPIITFHU-AWEZNQCLSA-N 369.377 3.064 0 1 FGAF Cc1ccc(CN2CC[C@H](N3CC(c4ccc(O)cc4)C3)C2=O)cc1F 1772581481 IESUXIJJIRXKNX-FQEVSTJZSA-N 354.425 3.040 0 1 FGAF Cc1ccc2c(c1)CN(CC(=O)N[C@@H]1CCc3ccccc31)C[C@H](C)O2 11839523 OVYAQLXZAVFDFG-OXJNMPFZSA-N 350.462 3.382 0 1 FGAF COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(c(OC)c1-3)OCO2 14589431 RSPVOBJVTRHMJW-UHFFFAOYSA-N 366.393 3.105 0 1 FGAF CO[C@H]1[C@@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]21 14724638 XAABSYWNTKOZII-HLAWJBBLSA-N 350.370 3.144 0 1 FGAF NCc1cc2c(cn1)ncn2Cc1cccc(C(=O)Nc2ccccc2)c1 1857600017 VTGRCUDSCBYPQP-UHFFFAOYSA-N 357.417 3.191 0 1 FGAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)cc12 3045440 VOVBXRAUSKJEFJ-QMTHXVAHSA-N 351.424 3.296 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc(NC(C)=O)cc1 100028525 GWFBIOJMCSLYBK-KCGBVJQISA-N 358.394 3.066 0 1 FGAF CCCn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643169 RTTZOQDXXOWLHF-GJZGRUSLSA-N 354.450 3.194 0 1 FGAF CNc1nc(C)c2cc(-c3ncccc3F)c(=O)n(C3CCCC3)c2n1 117702639 UKLLNDPYPZWGAU-UHFFFAOYSA-N 353.401 3.458 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(F)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632169 DYIARSQFUAIKJI-GUYCJALGSA-N 370.449 3.499 0 1 FGAF COc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12 117853513 MMHOLGBLQPNPIW-UHFFFAOYSA-N 353.451 3.294 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@H](C)[C@@H]2[C@H](O)C[C@@H]34)C1 2356606829 GRBKKDAJSTUFHP-OHWHEIQNSA-N 359.510 3.050 0 1 FGAF Nc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(CC1CCCCC1)C3 49110301 SAPJYVVNTAHOCF-UHFFFAOYSA-N 368.529 3.469 0 1 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@@H]1CC(=O)CCC[C@](C)(OC[C@@H]2C)[C@@H]3O1 195209886 ARTZUUBHXRPSMO-WOXYSHGFSA-N 364.482 3.142 0 1 FGAF C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)csc12 223680046 PXMUFOHMQDXUJA-QMMMGPOBSA-N 364.272 3.275 0 1 FGAF COc1ccc([C@]2(c3cccc(-c4ccc(F)nc4)c3)COC(N)=N2)cc1 95576974 RFRRGWXFYJGVKX-NRFANRHFSA-N 363.392 3.485 0 1 FGAF O=c1c2sc3ncnc(NC4CC4)c3c2ncn1-c1ccc(F)cc1 95560226 WVQUOYKFSBHPDN-UHFFFAOYSA-N 353.382 3.104 0 1 FGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1 142080643 SIOKSJUACLFGPZ-WCQYABFASA-N 372.454 3.340 0 1 FGAF CCOc1cc2nc(=S)n(C[C@@H]3CCCO3)c(O)c2cc1OCC 253621261 CCFWRLHSCUPZHI-NSHDSACASA-N 350.440 3.448 0 3 FGAF CC[C@@H]1CC=CCc2ccccc2[C@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 299811564 GQHJEOPNYJIXRG-WRWLIDTKSA-N 358.434 3.099 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2N1 587123256 HGXZMNAKTDRMGQ-KRTXAFLBSA-N 363.347 3.018 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(CCO)cc2[nH]1 587065670 XBUQXXRCSCOISV-UHFFFAOYSA-N 360.797 3.151 0 1 FGAF O=C1C[C@@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605072 XDRKJMDPJZQZIP-VTLCXCFZSA-N 350.370 3.482 0 1 FGAF COc1ccc2c(c1)C[C@@H](c1nc3nc(Br)c[nH]c-3n1)CC2 587938622 ZVECJINSWZHAKB-JTQLQIEISA-N 359.227 3.348 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587442278 IBAPLMDGTCLPOC-VBKZILBWSA-N 359.422 3.212 0 1 FGAF Fc1cc(Br)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587142698 LJPHUNVDQGAWOA-UHFFFAOYSA-N 359.162 3.107 0 1 FGAF Cn1ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548690 QEPIEZPDNBLCQT-KBXCAEBGSA-N 356.765 3.482 0 1 FGAF CC(=O)NC1(c2nc3cncc(Br)c3[nH]2)CCC(C)CC1 587233809 DJEGCMVLOVGSQH-UHFFFAOYSA-N 351.248 3.262 0 1 FGAF Nc1cc(Cl)nnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657919 DODWQDUIKWZOAI-UHFFFAOYSA-N 367.771 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccn4)c1C)[C@@H](C2)C3=O 587432775 RCTMGMPWPKVYMR-YCRPNKLZSA-N 361.401 3.247 0 1 FGAF COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cn1 587120265 VBLHKPIEBILFKM-UHFFFAOYSA-N 351.332 3.109 0 1 FGAF COC(=O)COc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587398848 FRBSQDFVPKPDTO-GOSISDBHSA-N 369.417 3.452 0 1 FGAF COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382816 SMHMVWCXACKPCU-CYBMUJFWSA-N 367.270 3.042 0 1 FGAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1c(C)nn(C)c1C 587632533 YSRMFRCERDRSGJ-UHFFFAOYSA-N 363.776 3.328 0 1 FGAF Cc1sc2c(c1C)CCN[C@]2(C)c1c[nH]c(C(=O)NC[C@@H]2CCCO2)c1 963010279 NAAGEFWMNSBDHA-MGPUTAFESA-N 373.522 3.011 0 1 FGAF Cc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962629881 IJVKVKJFDHIAID-YOEHRIQHSA-N 366.339 3.151 0 1 FGAF CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 5139929 NSQCHSZFXOYJID-UHFFFAOYSA-N 370.493 3.467 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](C(C)(C)C)[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169311139 ISCBIDVJEHJCIE-WIMJZSGASA-N 355.478 3.206 0 1 FGAF Cc1cccc(C(=O)N[C@]23CCC[C@](NC(=O)c4ccncc4)(CC2)C3)c1 169710860 ROVACBZWABKJSI-FCHUYYIVSA-N 363.461 3.395 0 1 FGAF O=C(O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 1857632067 CAHLSBJEMHBDPC-AWEZNQCLSA-N 374.245 3.488 0 1 FGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cn[nH]c1 118707288 IHXIHIRSZMMDRU-UHFFFAOYSA-N 356.382 3.016 0 1 FGAF CNC(=O)COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 216018519 UZHSTGNRYCBEGF-UHFFFAOYSA-N 358.781 3.311 0 1 FGAF CC(=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 2356411114 IBBYPUFMXQIMFO-QVKFZJNVSA-N 368.385 3.212 0 1 FGAF COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)NC2CCCCCC2)cc1OC 3030335 HLQQXTJKWQSAPF-KXBFYZLASA-N 361.438 3.147 0 3 FGAF CC(C)NCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1cccs1 7002581 DVQRWQWDLCIXKX-IRXDYDNUSA-N 358.463 3.111 0 1 FGAF COC(=O)N[C@H](/C(C(=O)OC)=C(/C)NCc1ccccc1)c1ccccc1 7992368 HSRIITUXGBDJPO-DGDHUYAWSA-N 368.433 3.321 0 1 FGAF CCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1OC(=O)OCC 7992518 NPGAEJRNYJYPMA-OWCLPIDISA-N 350.367 3.398 0 1 FGAF CCc1cc(C(=O)N[C@H](CO)c2ccc(Oc3ccccc3)cc2)n(C)n1 103169989 UJBCYGGILZGPDF-LJQANCHMSA-N 365.433 3.238 0 1 FGAF C[C@@H]1CN2[C@@H]3[C@]1(O)CC[C@@]1(C)[C@H]4CC[C@@]5(CCC[C@H]5[C@@]31CCC(=O)O)[C@@H]42 101850427 MUGPALRHVRSORL-BSORZQPUSA-N 359.510 3.281 0 1 FGAF COC[C@@H](C)NC(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987725 HTRXXSQYQPXLSJ-SECBINFHSA-N 370.272 3.414 0 1 FGAF COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCSC)N1CCCC1 36080033 GSQUVACNRWTDLB-CQSZACIVSA-N 353.484 3.135 0 1 FGAF CCOC(=O)C1=CC[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)C1 34131270 ZVMQYMKFSWHDBA-KRWDZBQOSA-N 365.495 3.294 0 3 FGAF CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc21 72315890 YIIAEOSGRYXGSO-SFHVURJKSA-N 361.405 3.171 0 1 FGAF Clc1cccc(-n2nnnc2NCc2cccc3c2OCO3)c1Cl 71334154 NTPPZWMVQOXFIK-UHFFFAOYSA-N 364.192 3.310 0 1 FGAF CCCN1CCc2cc3oc(=O)n(C)c3cc2[C@H]1c1cccc(OC)c1 45347402 OZRUDBBLRGELJB-HXUWFJFHSA-N 352.434 3.498 0 1 FGAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCC1CCCCC1 82083010 SVUJILYHMNXXAK-LBPRGKRZSA-N 361.467 3.218 0 1 FGAF CN(C)[C@]1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21 95596975 ANNXYPIRHNJRME-QFIPXVFZSA-N 360.461 3.411 0 1 FGAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2C1 149355860 ICQVDAFSFDFNEL-UHFFFAOYSA-N 351.381 3.257 0 1 FGAF C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473082680 KTBLRMYPCXFORO-GFCCVEGCSA-N 369.812 3.127 0 1 FGAF C=CN1CC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587582944 PRUALVWXEFZLOU-OXTHUFEASA-N 365.385 3.105 0 1 FGAF Cc1nc(-c2ccccc2)nc(S)c1-c1ccc2c(O)nc(O)nc2n1 587562719 JKVTUEYINGEQQO-UHFFFAOYSA-N 363.402 3.157 0 1 FGAF CCOC(=O)C[C@@]1([C@@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587530412 BQZSKSUAUIRPCH-GHTZIAJQSA-N 358.434 3.402 0 1 FGAF Cc1nc(C)c(Cc2nc3cc(I)cnc3[nH]2)s1 587012827 VHLJZZOWGBQCBD-UHFFFAOYSA-N 370.219 3.227 0 1 FGAF Oc1nc(S)nc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587135195 VNLHYIREUUZQHF-OWOJBTEDSA-N 360.267 3.213 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085936 PDUUHETZSYCCHY-UHFFFAOYSA-N 358.810 3.079 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)n2cncn2)N1 587757282 GSCYNDZNWFFMOP-MGPLVRAMSA-N 367.266 3.364 0 1 FGAF FC(F)c1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cnc2ncnn12 587128155 HJFLKOTZBOWOCW-UHFFFAOYSA-N 355.230 3.019 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Cl)c(C)c3[nH]2)CC1 586953192 QTLDGWUGKRSKLX-UHFFFAOYSA-N 355.891 3.444 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 586951097 SZTBKNMNJWEHCJ-INIZCTEOSA-N 373.438 3.104 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587173786 ADPDBORDDLXPGS-UHFFFAOYSA-N 359.382 3.366 0 1 FGAF O=C(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCc1ccccc1 587780986 AWVABEDZAZVPSG-UHFFFAOYSA-N 370.718 3.263 0 1 FGAF Cn1ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581730 LWERLICALCUDTA-NQIIRXRSSA-N 362.385 3.319 0 1 FGAF COC(=O)c1ccc(O)cc1[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962641696 TZCOTKOJWLOREI-ODXCJYRJSA-N 371.433 3.162 0 1 FGAF CCOc1cc(F)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(F)c1 963474891 XMQXOXAPLGVREZ-KBXCAEBGSA-N 363.360 3.066 0 1 FGAF Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)sc2n1 5036195 MELALEMOJNUKTD-AWEZNQCLSA-N 369.490 3.212 0 3 FGAF Cc1ccc(CNC(=O)[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)o1 13478294 ONFOUFXEFHSZIX-HNNXBMFYSA-N 352.312 3.416 0 3 FGAF Cc1nc(-c2ccccc2F)c2c(N3CCc4cccnc4C3)ncnn12 169711697 MXAJDDHMFYPJOE-UHFFFAOYSA-N 360.396 3.197 0 1 FGAF COc1cccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)c1 205379349 ZHRNRICAIZAPSK-GOSISDBHSA-N 352.390 3.067 0 1 FGAF COc1cccc(Nc2ncc3nc(C)c(=O)n(-c4ccccc4)c3n2)c1 4238741 FRUSYUAARLNXAF-UHFFFAOYSA-N 359.389 3.236 0 1 FGAF Cc1ccc(CS(=O)(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 20723623 IIKNPOQDTIJQEH-JFIYKMOQSA-N 351.512 3.241 0 1 FGAF COc1cc(O)c2c(=O)cc(-c3ccccc3OC(C)=O)oc2c1OC 103207990 YHAOIBQNQISMJX-UHFFFAOYSA-N 356.330 3.108 0 1 FGAF C[C@@H]1[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C(=O)C1(C)C 27843039 WIISOWZJALZFBO-KBJLROMZSA-N 367.489 3.293 0 1 FGAF N#C[C@H](c1ccnc(N[C@H]2Cc3c[nH]c2n3)n1)c1nc2ccccc2s1 116418667 KORISVSXBGATCA-RISCZKNCSA-N 359.418 3.174 0 1 FGAF N=C(Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 34804358 WADBSLRRIAJDGK-UHFFFAOYSA-N 352.438 3.394 0 1 FGAF CCCCCCOc1ccc(C(=O)CCN(C)C)c(S(C)(=O)=O)c1 43025204 BNEWKCQMHNLUAC-UHFFFAOYSA-N 355.500 3.184 0 1 FGAF CCS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224742837 GOGOLDJIHLAMNI-UHFFFAOYSA-N 371.437 3.467 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)OCC(=O)N1CCCCC1 43020594 PTQZVGBNXONLEW-QGZVFWFLSA-N 362.470 3.109 0 1 FGAF COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)C[C@@H](C(C)(C)O)O2 95099524 SJDHFQFQYUEPRC-PXPVJAHISA-N 356.418 3.437 0 1 FGAF biogenic,in-vitro COC(=O)c1ccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)cc1 96286467 AMPHXCQDDJBACG-UHFFFAOYSA-N 361.401 3.246 0 1 FGAF COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(C(C)C)cc1OC 96924152 LYULXSGERLSTNL-UHFFFAOYSA-N 361.833 3.251 0 1 FGAF COc1cc2ncnc(N3CCO[C@H](c4ccc(F)cc4)C3)c2cc1OC 96168416 LZQXWAIFJJNBHE-IBGZPJMESA-N 369.396 3.364 0 1 FGAF C[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 473153285 ZUULHXJVFIPCBX-LBPRGKRZSA-N 350.340 3.313 0 1 FGAF Clc1cccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)c1 653827648 AKVSJXRSIWVHQE-UHFFFAOYSA-N 356.842 3.168 0 1 FGAF O=C(OCC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@H]2CCCO2)on1 653787239 ATRRNMVKSDCRIY-SFIVQVFOSA-N 362.426 3.380 0 1 FGAF CC[C@@]1(Cn2cncn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587762668 ZEUSFVKSHNFBAU-BMIGLBTASA-N 353.239 3.019 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586917674 UMPVAACZJNCZQK-XOBRGWDASA-N 350.374 3.478 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccc(Br)cc3F)nc12 587143183 ZSBUDOVMBJBLAK-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1C(F)(F)F 587097481 JEDMWQJOXLGWQG-SECBINFHSA-N 369.368 3.381 0 1 FGAF CCOc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587946775 XKAQZCDOZNZRBN-UHFFFAOYSA-N 374.397 3.052 0 1 FGAF O=C(O)CCc1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587205697 CYQHKYOPHDJLPH-UHFFFAOYSA-N 361.353 3.091 0 1 FGAF COc1cc2c3c(c1)O[C@@](CN)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O 587426929 BBLIPJKYARNYRQ-LJOBPSPCSA-N 353.418 3.004 0 1 FGAF COC(=O)c1cccc2c1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443879 QJNGCHOUHWUGJL-IERDGZPVSA-N 350.370 3.071 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccco2)(C(=O)O)N1 587831860 YNHKEVKNMMIKJK-XXFAHNHDSA-N 368.202 3.238 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCCC[C@@H](C(=O)O)C2)N1 963229845 QFSNXHSGWCQETC-LZHZSBQWSA-N 368.433 3.084 0 1 FGAF Cn1cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cccnc21 962707044 HKTWJJZBOHWFGJ-CVEARBPZSA-N 359.351 3.308 0 1 FGAF COc1cc(N(C)c2nc(Cl)nc3ncccc23)cc(OC)c1OC 1772642434 SMANSIVUPAQZLC-UHFFFAOYSA-N 360.801 3.472 0 1 FGAF CCNC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610499 IMUCLKJZDTXEQN-GAWRCDSNSA-N 357.494 3.362 0 1 FGAF C[C@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13646068 LJNYRWVTDXVWCY-VIFPVBQESA-N 350.827 3.154 0 1 FGAF CCC1(CC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O 13672974 TUSWFMOEQUNSDI-RTBURBONSA-N 359.491 3.355 0 1 FGAF CCCCOc1cc(C(=O)NCCN(CC)CC)nn1-c1ccccc1 169330127 KTRNOECXRBOEAS-UHFFFAOYSA-N 358.486 3.123 0 1 FGAF C[C@@]1(O)C([C@@H]2C(=O)Nc3ccc(Br)cc32)=Nc2ccccc21 169692424 RLKULYLGSBYPPJ-PBHICJAKSA-N 357.207 3.479 0 1 FGAF CC1=C2C(N)=C(C(=O)Nc3ccccc3)S[C@@H]2NC(C(F)(F)F)=C1 803782 NKNVFVYVNYDXPG-HNNXBMFYSA-N 353.369 3.234 0 1 FGAF NCCCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(O)c1 28523228 BVXNJSBORGGKPJ-GOSISDBHSA-N 357.841 3.462 0 1 FGAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)C[C@@]2(C)C[C@](C)(C1)C(=O)N[C@@H]2O 102985649 QVECYZNLDSHKCT-GBAJDQEWSA-N 366.461 3.429 0 1 FGAF COc1ccccc1CCC(=O)c1ccc(C[C@H]2SC(=O)NC2=O)cc1 29545496 BUHUZRUUVAJLBG-GOSISDBHSA-N 369.442 3.405 0 1 FGAF Nc1ccc(F)cc1NC(=O)CCCCCNC(=O)c1ccc(F)cc1 117586666 RCTFWBRKYUQTHJ-UHFFFAOYSA-N 361.392 3.476 0 1 FGAF COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1N 28820962 WPLOABCTEUELMB-UHFFFAOYSA-N 373.434 3.489 0 1 FGAF Cc1ccc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1 35065554 GGKLVRKIZQTCIB-UHFFFAOYSA-N 352.467 3.062 0 1 FGAF Nc1nc2c(c(N3C[C@H]4CCCN[C@H]4C3)n1)CCCC[C@@H]2c1ccccc1 49045943 KMYVBYYBQAUEAL-LMMKCTJWSA-N 363.509 3.105 0 1 FGAF Cc1nc([C@H]2C[C@H]2c2nc3cccc(C)c3[nH]2)cc(-n2nc(C)nc2C)n1 143005344 PYWIEKFTRDCAEO-LSDHHAIUSA-N 359.437 3.438 0 1 FGAF COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 96914131 YNQFUUYGAXWRRY-HNNXBMFYSA-N 355.390 3.250 0 1 FGAF COc1ccc([C@@H]2NC(=S)Nc3c2c(=O)oc2ccc(C)cc32)cc1 96931719 GAPKKAXWGRRYLR-INIZCTEOSA-N 352.415 3.499 0 1 FGAF Cc1cc(F)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 587164121 RDDZVPLDSAUMML-UHFFFAOYSA-N 354.360 3.428 0 1 FGAF CCOC(=O)C(=O)C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526733 ZOXZVVAVSPJDPU-NRFANRHFSA-N 356.418 3.202 0 1 FGAF N=c1[nH]c2nc(-c3ccoc3COc3ccc(C=O)cc3)nc-2c(Cl)[nH]1 586901683 XKNDNMCNFYEEIM-UHFFFAOYSA-N 369.768 3.022 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCC(N)=O)CC2=O 587470019 KQPNNWPDBXYIQG-IBGZPJMESA-N 369.417 3.305 0 1 FGAF Fc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(N2CCCC2)n1 587177204 CEMPQQMOUOUOJH-UHFFFAOYSA-N 352.295 3.125 0 1 FGAF COc1cc(OC)c2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc2c1 587174257 IGCZYCHRQAGYIF-CQSZACIVSA-N 354.385 3.443 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCC(O)CC3)s1)O2 587412564 ZZBPVLOHDNKSDR-INIZCTEOSA-N 358.463 3.306 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)nc1/C=C/N(C)C)O2 587388110 WLBVFAJSPSKKOL-DUIUGDAFSA-N 353.422 3.091 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2cc1OC 587177665 SMFYNYAELAQWHH-UHFFFAOYSA-N 370.384 3.159 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043095 YATHDWJKBNMJDB-ZWKOTPCHSA-N 366.490 3.211 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)O 587820207 AMKFFVYRWKYSMJ-RLJVQMDZSA-N 366.230 3.224 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5c(cc4[nH]1)OCO5)(C3)C2 587949854 DHGLUYSWQOXHDZ-BRRVFRNMSA-N 354.406 3.445 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncnc3[nH]2)C[C@H]2CCCC[C@H]21 587027887 UDFHCMYLSQPHDM-BMFZPTHFSA-N 367.478 3.489 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)CNC(=O)OC(C)(C)C 963029342 CIPAKCOQXPKDGM-FQEVSTJZSA-N 357.454 3.129 0 1 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\Br)cc2)C[C@@H]2CC[C@H]1N2 169300901 PETAHELMBJGYJY-MYIXJDQZSA-N 350.256 3.449 0 1 FGAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2)c1 201450506 HBINIKQIAYNGQE-GOSISDBHSA-N 353.422 3.008 0 3 FGAF O=C(NCCCCCCn1nnc(-c2ccccc2)n1)Oc1cccnc1 1857754150 GDBHEIIQERBFRI-UHFFFAOYSA-N 366.425 3.084 0 1 FGAF C[C@H]1CCC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762669 PFDBNPNOCYZVAO-WFASDCNBSA-N 358.388 3.445 0 1 FGAF CCC(CC)C(=O)Nc1cc(NC(=O)c2ccco2)ccc1OCC(=O)O 103253700 IUNIRIBCMNHWKN-UHFFFAOYSA-N 374.393 3.370 0 1 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2 28566207 HFDAIKHXHSHODJ-MTFMMBMASA-N 352.434 3.154 0 1 FGAF Cc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 34641034 PTLKLRUAHYFNGA-UHFFFAOYSA-N 365.433 3.181 0 1 FGAF CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82209712 NJNOROSSTVWVLY-INIZCTEOSA-N 370.497 3.283 0 1 FGAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(Br)cc1 96935255 LQFXEYVEMBNMEB-INIZCTEOSA-N 360.211 3.392 0 1 FGAF CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(-c2ccccc2)n1 299828482 RIVGBLGTSOKMNQ-UHFFFAOYSA-N 355.467 3.337 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C)O2 587396582 UKFRMJGVNOMFFF-FKIZINRSSA-N 374.437 3.085 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1C 587871785 DAEUFCBZGQUTQE-UHFFFAOYSA-N 364.380 3.324 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587223724 DWWCOMUHKQKUNK-UHFFFAOYSA-N 364.405 3.090 0 1 FGAF OC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOCC1 586914280 YTCBVOASNGREAB-UHFFFAOYSA-N 365.149 3.342 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCOCC2)N1 587767013 PXBUZPSRCUHHPA-MEDUHNTESA-N 371.294 3.274 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CN(Cc3ccccc3)CCO1)O2 587395540 OCTBSLHZWVPWNI-UNMCSNQZSA-N 366.461 3.202 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2cccnc2n1 587588235 PXUJYBDPWUXFKM-APWZRJJASA-N 359.341 3.138 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896373 CHDMISKVMJSLLW-UHFFFAOYSA-N 365.414 3.250 0 1 FGAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587414971 WZDRYZNGQRKQAR-HXUWFJFHSA-N 355.390 3.462 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)C(C)C 586933184 NHLFVLWDXXIFJR-ZDUSSCGKSA-N 363.405 3.397 0 1 FGAF Fc1ccc(-n2cc([C@@H]3NCCc4nc5ccccn5c43)cn2)c(F)c1 962985557 FXKLGWRSIXTHBQ-SFHVURJKSA-N 351.360 3.033 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@H]2c1c[nH]c2cc(Br)ncc12 963124429 QOQJASBNZJUCHU-INIZCTEOSA-N 372.222 3.259 0 1 FGAF C[C@H](c1ccccc1Cl)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225952396 VSPJHNXAOMARQG-LLVKDONJSA-N 351.801 3.388 0 1 FGAF O=C(NCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1=O 1772620143 FASMNJSPCULYRR-MRXNPFEDSA-N 370.836 3.035 0 1 FGAF CC(=O)c1ccc2c(c1)OC(C)(C)[C@H](O)[C@H]2NC(=O)c1ccc(F)cc1 13604621 GQFPOKZKVWOPGW-ZWKOTPCHSA-N 357.381 3.031 0 1 FGAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCCO 169303510 KWODDVHRFFROSJ-NCYKPQTJSA-N 361.441 3.107 0 1 FGAF COc1cc(F)c(Nc2nccc(-c3ccc(F)cc3F)n2)cc1C(N)=O 1857644770 DGVJWXLMYXXGHA-UHFFFAOYSA-N 374.322 3.412 0 1 FGAF COc1cc(I)ccc1-c1nc2cc[nH]cc-2n1 102166661 ZDGZOFWDGRRFQK-UHFFFAOYSA-N 351.147 3.190 0 1 FGAF CC(C)CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCN2)C1 55884264 KJNBOBJHUMRILG-KRWDZBQOSA-N 369.340 3.137 0 1 FGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4c(C)cccc4Cl)C[C@H]3C2)n1 116821886 FOETXTIGELKUMZ-HOTGVXAUSA-N 370.884 3.264 0 1 FGAF CSc1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2C)cc1 29489849 BRDYDNRJLRPNNW-UHFFFAOYSA-N 355.419 3.052 0 1 FGAF Cc1ccc2c(C)c(C(=O)N3CCC(c4cc(=O)[nH]cn4)CC3)oc2c1 23619291 WQVSKXSRLDPEIL-UHFFFAOYSA-N 351.406 3.153 0 1 FGAF Cn1ccnc1Sc1cc(C(=O)Nc2cccc(N)c2)c(N)cc1F 28872012 XZUOXUGTBFDKKR-UHFFFAOYSA-N 357.414 3.127 0 1 FGAF O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12 35942333 XDAVPJKKUQBJRX-UHFFFAOYSA-N 360.417 3.412 0 1 FGAF O=C(Nc1ccc(O[C@H]2CCOC2=O)cc1)NC12CC3CC(CC(C3)C1)C2 84757399 VJMQIUDNCIQIDO-TYUXRXASSA-N 370.449 3.471 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)co2)cc1 82068972 AUYNZKXHDPPZRM-INIZCTEOSA-N 350.374 3.076 0 1 FGAF COCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2F)n1 82151100 GPTAUZOFJPBGFW-UHFFFAOYSA-N 360.433 3.069 0 1 FGAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NCC2CC2)cn1 141292922 LDNXCKJQKFHKOR-UHFFFAOYSA-N 364.405 3.159 0 1 FGAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(C)c2)ON1C 95591554 NSBVNGZSDFLXLU-HUUCEWRRSA-N 356.359 3.161 0 1 FGAF CCc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5CC)c4)[nH]c23)o1 143104053 UDWFEKMMZPXAIV-UHFFFAOYSA-N 374.404 3.277 0 1 FGAF CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(C)c2[nH]1 144263562 FWEMNDVZBACVHA-UHFFFAOYSA-N 358.405 3.432 0 1 FGAF CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc21 149812935 HHHITATYTCPWBZ-UHFFFAOYSA-N 352.373 3.181 0 1 FGAF COc1cc2c(cc1OC)[C@]1(C)OC(c3ccccc3)=CC(=O)N1CC2 96935339 YKFHSZYUUXCZCQ-NRFANRHFSA-N 351.402 3.333 0 1 FGAF Cn1nccc1-c1nc(Nc2n[nH]c3ccccc23)c2c(n1)C(C)(C)OC2 263620516 HMWMAHXTIWOHMD-UHFFFAOYSA-N 361.409 3.262 0 1 FGAF in-vitro CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc2c(cc1Cl)OCO2 617966483 QCEXKTWSRGSXJI-MNWMYKRDSA-N 354.815 3.265 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587250183 XMWPAEOAMASFKH-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2cccs2)N1 587849123 QQLKHIKQKXUCQC-VFZGTOFNSA-N 355.276 3.386 0 1 FGAF O=C(O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604739 VXYZYLKYOQGGHF-TUIFFPIZSA-N 354.358 3.367 0 1 FGAF COC(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1OC 587164399 UPZABHSUWVVYMO-INIZCTEOSA-N 357.385 3.148 0 1 FGAF Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)sc2c1C(=O)N1CCC=C1N2 587029325 MJKHEVKIFCVCSG-UHFFFAOYSA-N 358.814 3.108 0 1 FGAF Cn1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587551562 GYAKFYLYLTXIHA-KDOFPFPSSA-N 356.765 3.482 0 1 FGAF CC(=O)N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(C)cc1 587207832 XEKOEDKRJWCJAO-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF Cc1c(-c2nc3c(C(=O)O)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029399 NPYYWHIVLISDHR-UHFFFAOYSA-N 366.402 3.411 0 1 FGAF CCN1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587401665 WBEAQIPFJZESJA-OAQYLSRUSA-N 365.477 3.426 0 1 FGAF COCCC[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795901 SKCAFXCCSSIMHI-MEDUHNTESA-N 360.267 3.391 0 1 FGAF Cc1cnc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963033872 VLOJHDCBKKJTGK-BBATYDOGSA-N 372.266 3.295 0 1 FGAF C[C@H]1C(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)cc1c32 5153767 DCNZPEZRBYZCRB-LLVKDONJSA-N 360.410 3.023 0 3 FGAF CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccccc3OC)C2)CC1 12454467 UZXPAJZQTKEMAA-INIZCTEOSA-N 374.481 3.211 0 3 FGAF O=[S@@](Cc1cc(OCC(F)(F)F)ccn1)c1nc2cscc2[nH]1 13448697 GEWBSLTXKMYPDG-HSZRJFAPSA-N 361.370 3.268 0 1 FGAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1cccc(F)c1 1857631321 VFMCLPDQIBIJTQ-UHFFFAOYSA-N 362.162 3.021 0 1 FGAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2ccnc3ccccc23)Oc2ccccc21 2356337538 WLZQONMVCYCMGS-OXJNMPFZSA-N 359.429 3.233 0 1 FGAF Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccco3)C2)n1 4415962 UPGSNVHJRSGDKA-WMLDXEAASA-N 356.470 3.040 0 3 FGAF C[C@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 6494877 YBTZYMZAMUEVJB-GARJFASQSA-N 360.406 3.189 0 1 FGAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289531 WVKVMRFBOVMGAX-URVUXULASA-N 372.509 3.186 0 1 FGAF C[C@@H]1N[C@H](C2CCC(CCCCC[C@H](O)CC(=O)O)CC2)CC[C@@H]1O 2356308317 LCYHJMKSXUPWHT-FZPSTPAASA-N 355.519 3.080 0 1 FGAF Cc1ccc(-n2cnc3c(sc4ncc5c(c43)NC[C@@H](C)O5)c2=O)cc1 28827156 UKYYPMIATFNGSH-LLVKDONJSA-N 364.430 3.497 0 1 FGAF CCCNC(=O)c1cc([C@@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)on1 61926814 VNJMQGRWSYOBHT-CQSZACIVSA-N 373.428 3.282 0 3 FGAF C[C@H](CO)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)cc(O)c2[C@@H](C)C[C@@H]1O 2356849889 PNFPUVYLPURZAO-LIHYCIDNSA-N 350.455 3.477 0 1 FGAF Cc1ccccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 61896967 AUSVWMQPLNFMSK-UHFFFAOYSA-N 356.495 3.334 0 3 FGAF NC(=O)c1cccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 61896442 PHHOPEKGMJSBTE-ZDUSSCGKSA-N 353.451 3.013 0 3 FGAF CN1[C@H](C(=O)NCC2CC2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 36378282 VOWCKQTZGNDHEC-FFZOFVMBSA-N 360.461 3.091 0 3 FGAF COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@@H]1COc2ccccc2C1 40936129 KFWHAIAFFYRAAT-ZDUSSCGKSA-N 367.380 3.414 0 1 FGAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccnc2)n1 45391172 KZEDLOUQYYYFSL-UHFFFAOYSA-N 367.432 3.357 0 1 FGAF CC(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 43073617 VZZZUOBHFYVCJO-QGZVFWFLSA-N 365.433 3.100 0 1 FGAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3nnc4ccccc43)O2)cc1 95570597 MTWKTYIJWHFEPB-YLJYHZDGSA-N 351.406 3.319 0 3 FGAF NC(=O)CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144783725 BWXARXVQYNVDMB-KRWDZBQOSA-N 351.324 3.110 0 1 FGAF COc1cccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)c1 95578386 HJAIACYBZSZYNF-HXUWFJFHSA-N 369.465 3.044 0 1 FGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 473148521 GIHINZJZPGBWCN-QINHECLXSA-N 369.804 3.222 0 1 FGAF COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@@]1(C)c1ccccc1 299833284 KLRNYDZORGIYJJ-LEWJYISDSA-N 354.402 3.259 0 1 FGAF O=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1 653724614 OXFPVZBBMNRXHD-UHFFFAOYSA-N 365.477 3.456 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CO)c1 587606718 FLYBSLGBOAZBBC-NQIIRXRSSA-N 364.353 3.293 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccccn1 587868143 VNCOHGVJLRVLHK-UHFFFAOYSA-N 362.311 3.250 0 1 FGAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638580 SIGHVKCLOGNMQD-UHFFFAOYSA-N 352.346 3.035 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452035 CQKPRLWPLIQQNB-VLIAUNLRSA-N 356.374 3.193 0 1 FGAF COc1c(F)ccc(F)c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587133292 RRFCNKJOKYTDSD-UHFFFAOYSA-N 358.392 3.269 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O 587097008 NJYKBVVJLAONBZ-OUHCHERESA-N 370.408 3.067 0 1 FGAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 587355275 CVTZALWZKCQGIU-QUCCMNQESA-N 354.333 3.132 0 1 FGAF COc1ccc(C(=O)c2ccccc2-c2nc3c(O)ncnc3[nH]2)cc1F 587145339 WXXSKTDBPVECAW-UHFFFAOYSA-N 364.336 3.104 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(CCO)cc2[nH]1 586918358 XKEZFDSZTMJLBD-IERDGZPVSA-N 350.418 3.314 0 1 FGAF COc1ccc(/C=C\Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(OC)c1 587931119 ZCQLQMSETRAPMV-PLNGDYQASA-N 372.446 3.240 0 1 FGAF Fc1cccc2c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c12 587177738 XAJRHGULGJWFLI-UHFFFAOYSA-N 351.385 3.078 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c3nsnc13)O2 587414068 KDSNKIJABKCCPS-HNNXBMFYSA-N 354.435 3.354 0 1 FGAF Cc1cc2c(cc1F)[C@H](c1c(C)nn(CC(=O)OC(C)C)c1C)NCC2 962094384 SGUFOONQXFAOML-HXUWFJFHSA-N 359.445 3.134 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cc3cnccc3[nH]2)C1 1772620558 VREZBUJXBMWSOQ-CQSZACIVSA-N 372.469 3.330 0 1 FGAF O=C([C@@H]1CCCO1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12320354 LRBDOYARAMEUKY-NRFANRHFSA-N 371.525 3.244 0 1 FGAF Cc1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CC=CC2)cc1 15934721 SHDMYIHFSDUVQB-UHFFFAOYSA-N 355.459 3.174 0 3 FGAF CCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 169713540 YJLVMNYHBPCQKV-XECXTVLVSA-N 358.526 3.378 0 1 FGAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2[nH]nc(C(C)C)c2n1 66166057 AOPRHEOJTUWSAR-CQSZACIVSA-N 354.458 3.271 0 1 FGAF in-vitro COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C(C)=O)OCO4 27863437 OKPDNMIWHNLPTK-IRXDYDNUSA-N 367.401 3.176 0 1 FGAF COCC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356565791 LLLIMNCLYFQIMS-MPCFDFRISA-N 362.510 3.257 0 1 FGAF COc1cccc2c1ccn2CC(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12 2356634303 DYADNROGEDNLSS-IEBWSBKVSA-N 369.509 3.373 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC 2356695184 WNBMQMMGBBWUOZ-ZSYWTGECSA-N 366.498 3.340 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@H]1N2C 26390667 SUYCPJVAABOKNP-IRLDBZIGSA-N 365.477 3.387 0 1 FGAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3OC)[nH]n2)c(OC)c1 61908896 NINNGQOWSYNEGP-UHFFFAOYSA-N 371.368 3.494 0 3 FGAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O 71319177 GFOPLENUCATIPC-OAHLLOKOSA-N 369.415 3.360 0 1 FGAF COc1cc2oc3c(c(=O)c2c(O)c1C)-c1cccc(O)c1O[C@@H]3OC 13378585 KZXDJFLGVUVMJX-IBGZPJMESA-N 356.330 3.226 0 1 FGAF biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@@H](C2)N(C)CC3 14639525 WHOVKGFICRPUBN-CQSZACIVSA-N 371.433 3.179 0 1 FGAF biogenic CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC)scc12 84690978 YUBCNXBHBTVELH-UHFFFAOYSA-N 363.826 3.319 0 1 FGAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)NC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238772048 WUJHORJLMJSWRX-UPGXGTBGSA-N 361.482 3.500 0 1 FGAF COc1cc(C=O)c(OCc2cc3ccccc3nc2-c2ccn[nH]2)cn1 146045427 AYDRVKKVDYOYBH-UHFFFAOYSA-N 360.373 3.420 0 1 FGAF O=C(O)C[C@H](NC(=O)c1ccnc(N2CCCC2)c1)c1ccccc1Cl 261192390 ZPXQUDJMKCYNAI-INIZCTEOSA-N 373.840 3.281 0 1 FGAF COC(=O)c1ccc(N2Cc3cc(Br)ccc3CC2=O)cc1 621476526 PGNIHELPKSBALH-UHFFFAOYSA-N 360.207 3.325 0 1 FGAF NC[C@H]1CC[C@H](CNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 653680406 VCXNAJPRHWPYMN-JOCQHMNTSA-N 369.494 3.181 0 1 FGAF COc1cc2c3c(c1)O[C@](C[C@@H](C)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446643 CTPHVZFOKCNBER-PTPDTQQLSA-N 352.386 3.449 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(N)=O)cc1)CC2=O 587469498 ISCRKTUVDOGUDW-NRFANRHFSA-N 369.417 3.089 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cn2)N1 587770311 IOPHVOAYHSRBHC-JDNHERCYSA-N 351.219 3.487 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C/c3ccccc3C(=O)O)nc2cc1OC 586881542 XHHVBMXQYPESTJ-BQYQJAHWSA-N 352.346 3.227 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 587871970 GCWHLCDUAZEOGG-UHFFFAOYSA-N 365.368 3.495 0 1 FGAF COCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587798343 UYTRMXWSBQRNEP-AYVTZFPOSA-N 355.207 3.346 0 1 FGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccnc(O)c2[nH]1 587198124 GYGDQJIGJVXSKY-UHFFFAOYSA-N 359.389 3.189 0 1 FGAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730258 MNODUOJBCUBNJV-DYVFJYSZSA-N 366.339 3.012 0 1 FGAF CN(C)c1nc(Cl)c([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963028923 MOJAZWFZJKZVSP-YMTOWFKASA-N 362.886 3.005 0 1 FGAF CN(C)C(=O)Oc1ccc([C@@H](N)CCOc2ccc([N+](=O)[O-])cc2)cc1 144922429 GOSXKRPAAGKWBF-KRWDZBQOSA-N 359.382 3.124 0 1 FGAF CCCC[S@@](=O)CC(C[S@@](=O)CCCC)OC(=O)c1ccccc1 13154127 NDUBEOXNBLBOFC-XZMFGSITSA-N 372.552 3.310 0 1 FGAF CCOCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165839833 YWXZRAYLERAGPL-UHFFFAOYSA-N 367.449 3.391 0 1 FGAF O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCN1C/C=C/c1ccccc1 103275039 JMHXLQAHRXFNAM-HYKPEHDJSA-N 365.429 3.053 0 1 FGAF CCc1c(O)n([C@@H](C)CC)c(SCC(=O)Nc2ccccc2)nc1=O 100506824 IFUSDQNKCDLSJO-LBPRGKRZSA-N 361.467 3.213 0 3 FGAF CCCCC/C=C\C[C@@H]1[C@H](/C=C/[C@H](O)CCCC(=O)OC)[C@@H](O)C[C@H]1O 26496375 PMJFULFRSGAFPL-XFAOKDSGSA-N 368.514 3.131 0 1 FGAF O=S(=O)(Nc1cncc(-c2cnc3[nH]ccc3c2)c1)c1ccccc1 64560190 YXJNCMWPTDBNPS-UHFFFAOYSA-N 350.403 3.426 0 1 FGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1 117721339 TYKADUHZARVWIN-CQSZACIVSA-N 352.221 3.302 0 1 FGAF COc1cc(O)cc(C[C@@H]2COC[C@@H]2C(=O)c2ccc(OC)c(OC)c2)c1 2356575357 KISYUAZBKVYACA-QAPCUYQASA-N 372.417 3.106 0 1 FGAF O=C(Cc1cc(=O)oc2cc(O)ccc12)Nc1nc2ccc(F)cc2s1 71331871 HIRWNQDRGAWMQZ-UHFFFAOYSA-N 370.361 3.429 0 1 FGAF CN1c2cc3c(cc2OS1(=O)=O)CC[C@@H]1[C@@H]3CC[C@]2(C)C(=O)CC[C@@H]12 84605459 BTYGZCXDCRJNEM-QPWUGHHJSA-N 361.463 3.185 0 1 FGAF c1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n2nccc2c1 84652322 WKJCIXHKTZXDED-UHFFFAOYSA-N 368.510 3.308 0 1 FGAF CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95877043 DFXXWLCMZUFDSQ-FKBYEOEOSA-N 354.469 3.347 0 1 FGAF CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1OC(=O)OCC 253928516 NPGAEJRNYJYPMA-XHSDSOJGSA-N 350.367 3.398 0 1 FGAF O=C(NCc1ccno1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261145870 NWEGPKRPLCTOPA-UHFFFAOYSA-N 352.329 3.074 0 1 FGAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1cnccc1C)[C@@H](C2)C3=O 587436843 UVHNWYRWXCJSNU-JTSKRJEESA-N 358.397 3.485 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759992 NKKVABKDAURQIJ-DYZYQPBXSA-N 367.262 3.474 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005244 DUCDGTNURAFBHA-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF COC(=O)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707476 WACNNBXYNTYIAG-QTTZVWFDSA-N 370.140 3.053 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCOCC2)N1 587770654 DMWCTAQEQHEXJL-YVEFUNNKSA-N 371.294 3.060 0 1 FGAF C[C@H]1CN(C2CC2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587760886 MQVVCFMGRYNSMD-WVQJBOLRSA-N 353.279 3.432 0 1 FGAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(I)c2[nH]1 587961201 DKXWYHWOMDCBBT-DTWKUNHWSA-N 354.191 3.325 0 1 FGAF NS(=O)(=O)Cc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586929888 HXTHUYWYVFWGLE-UHFFFAOYSA-N 355.341 3.037 0 1 FGAF COc1cc(N2CCOCC2)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398369 FQRCZXNULGOPMV-FQEVSTJZSA-N 368.433 3.129 0 1 FGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O 587096071 FHRZLMJLSUNPPB-IUSZMWJPSA-N 370.408 3.067 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(Br)ccnc1F)[C@@H](C2)C3=O 587427974 MLFMQPHHFSCMQL-VFZGTOFNSA-N 364.170 3.481 0 1 FGAF Nc1cnc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)nc1 587252691 JNZHRHIFYHEAQE-UHFFFAOYSA-N 358.121 3.383 0 1 FGAF C[C@H](Oc1ccc(F)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587168982 PHYGGRQYRSMOCV-NSHDSACASA-N 363.414 3.092 0 1 FGAF COc1cc2c(cc1OC)[C@@H](c1ccn(CC(F)(F)F)n1)N(C)[C@@H](C)C2 962622820 CLKMGGZASKNBGS-GTNSWQLSSA-N 369.387 3.428 0 1 FGAF Nc1cccc2c1CC[C@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962671710 SHLIEOYRGHEWJY-GOTSBHOMSA-N 373.456 3.105 0 1 FGAF CCOCCON1C(=O)[C@@H](NC(=O)OCCCCC2CCCCC2)[C@@H]1C 1772606634 VRSPXNZMKYRGLF-RDJZCZTQSA-N 370.490 3.031 0 1 FGAF COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccs1 13864753 IPAXTAWQPQEGJN-UHFFFAOYSA-N 364.492 3.053 0 1 FGAF NC(=O)c1cc(C2CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1 205628933 CLUOEBHFBUOQEH-UHFFFAOYSA-N 365.433 3.030 0 1 FGAF CN(C)Cc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 592242 UPNLGZHAXURRDM-UHFFFAOYSA-N 363.339 3.103 0 1 FGAF CSc1c(Cl)nc(NCc2ccccc2)nc1N1CCN(C)CC1 3643616 YTXNVGNLURBWAL-UHFFFAOYSA-N 363.918 3.216 0 1 FGAF CC(=O)OCC[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2CC(C)(C)C[C@@H]21 2356284223 SKPUHXLYHIKKLH-KVIJGQROSA-N 368.470 3.265 0 1 FGAF O=C1c2cc(Br)cc(Br)c2OC[C@H]1n1ccnc1 27407048 QSZZJXTZSKTFEO-SNVBAGLBSA-N 372.016 3.225 0 1 FGAF COc1ccc(NC(=O)[C@]2(C)CCN2C(=O)CC2CCCC2)cc1OC 61895726 BAERLAZWRAUSBN-FQEVSTJZSA-N 360.454 3.214 0 3 FGAF N[C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1cccc(Cl)c1 49037372 BGYDDVRMCVTECM-OAHLLOKOSA-N 362.216 3.473 0 1 FGAF COc1ccc(CCOc2cccc3oc(C(=O)O)cc(=O)c23)cc1OC 84604587 PFZQBQNESRDOLH-UHFFFAOYSA-N 370.357 3.130 0 1 FGAF COC(=O)C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40980304 NTLXNJQZMZRJAE-GOSISDBHSA-N 361.353 3.390 0 1 FGAF CN1[C@H]2CCC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ncccc13)C2 220960387 JSFLEFPDYVHBFL-STQMWFEESA-N 363.408 3.474 0 1 FGAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CCCN1CCCC1=O 82178064 QKRKUPRLUNTLQL-UHFFFAOYSA-N 372.517 3.105 0 1 FGAF Cc1ccnc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)c1 96168959 BOHZXFOCNSNFEV-UHFFFAOYSA-N 354.454 3.122 0 1 FGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C\Br)cc1)N2 253636158 PETAHELMBJGYJY-KTILCMFKSA-N 350.256 3.449 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCOCC2)N1 587834004 JOXGMDDLQSEOCU-MGPLVRAMSA-N 358.251 3.359 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]cnc1C 587863008 AOPXCOJHYQZDND-UHFFFAOYSA-N 350.300 3.298 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1N)[C@@H](C2)C3=O 587430756 GRLWQUUGOGVHFZ-YWZLYKJASA-N 361.401 3.260 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCn4c(O)nc5cccc1c54)[C@@H](C2)C3=O 587436782 TXFHBJJRKYHHDV-LHSJRXKWSA-N 362.385 3.187 0 1 FGAF COc1nc(N2CCCC2)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587393444 IPEAAKKKUFPBBE-KRWDZBQOSA-N 353.422 3.288 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178167 SUSDBLCMERSVBP-LBPRGKRZSA-N 350.151 3.250 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cccnc3n2)N1 587774703 OBGIJNPAPMQBLC-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF OCCc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117392 GJCSTLBTKBMRSM-UHFFFAOYSA-N 350.344 3.239 0 1 FGAF O=C1C[C@@]2(C=C(CCc3ccccc3)O1)NCCc1c(C(=O)O)cccc12 963135026 VSPFTOOWAZKHTN-JOCHJYFZSA-N 363.413 3.189 0 1 FGAF NC[C@@]1(c2ccc(-c3ccccc3)cc2)NCCc2c(C(=O)O)cccc21 963132654 RNNBFHDDHYPXDU-QHCPKHFHSA-N 358.441 3.400 0 1 FGAF CCCNCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C 1772590966 ZRRCLDZEYWCJCV-DHDCSXOGSA-N 370.428 3.201 0 1 FGAF O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(/C=C/c1ccccc1)c1ccccc1 5954574 ZNJFSXPVEZDYHT-OGYWWWNNSA-N 363.457 3.225 0 1 FGAF O=C(N[C@@H](CCc1ccccc1)C(=O)O)c1ccccc1Br 13488296 NMEGHCXIUREGPP-HNNXBMFYSA-N 362.223 3.265 0 1 FGAF CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169713539 YJLVMNYHBPCQKV-GQQFPJJJSA-N 358.526 3.378 0 1 FGAF Cc1nc(N)nc(-c2c(Nc3ccc4cccnc4c3)nc3ccccn23)n1 168354401 HEVFJNSHEIITJA-UHFFFAOYSA-N 368.404 3.369 0 1 FGAF Cc1cc(Nc2[nH]ncc2C#N)nc(NCc2cc(-c3ccccc3)no2)n1 203007495 BHDWEHHPAMQWJZ-UHFFFAOYSA-N 372.392 3.391 0 1 FGAF CN(C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1)c1ccccc1 2356474180 GZDBUPRMPUGVRU-TUNNFDKTSA-N 363.505 3.263 0 1 FGAF Cc1nc2cnc(OCc3ccccc3)nc2n(CCc2ccccc2)c1=O 4238716 SFIIGZLCQWHAEJ-UHFFFAOYSA-N 372.428 3.317 0 1 FGAF O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)c(O)c1 28648164 FCUCMIIVLCLREX-NVXWUHKLSA-N 368.433 3.345 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)O)[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 2356571491 SRURFZLFGGVPRV-DIWVYQGKSA-N 364.482 3.410 0 1 FGAF C[C@H](CO)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)cc(O)c2[C@H](C)C[C@H]1O 2356849891 PNFPUVYLPURZAO-WMGRZDCSSA-N 350.455 3.477 0 1 FGAF COc1cc(NC(=O)[C@]2(C)CCCN(C(C)C)C2)cc(OC)c1OC 61904420 JGFKBWRWHJEBQU-LJQANCHMSA-N 350.459 3.161 0 3 FGAF O=C(O)c1cc(Cl)ccc1S[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 34338047 CSOIIZJOPHPJBD-QPPBUOOMSA-N 369.870 3.362 0 1 FGAF Cc1ccccc1C1=N[C@@](C)(CC(=O)NCc2ccccc2F)ON1C 74373216 IELCMFNMDXGJFW-HXUWFJFHSA-N 355.413 3.180 0 3 FGAF Cc1csc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)n1 71296014 QRAPPCRWBSQAAM-UHFFFAOYSA-N 363.443 3.310 0 1 FGAF COc1cc2c(c(O)c1[C@@H]1COc3cc4occc4cc3C1=O)OCO2 15203329 VTWYRBBCPYEEJM-NSHDSACASA-N 354.314 3.235 0 1 FGAF biogenic c1cc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCCC4)ccn1 223659699 WVPZJMVATHFKNC-UHFFFAOYSA-N 365.506 3.432 0 1 FGAF Cc1cccc2c1C(=O)N1C[C@H](OCc3ccccc3)C[C@H]1c1cnnn1-2 49019786 XGPZTGGUAYTAKY-AEFFLSMTSA-N 360.417 3.062 0 1 FGAF O=C(Nc1ccc2[nH]c(Cc3c[nH]c4ccccc34)nc2c1)[C@@H]1CCCN1 84731215 FSUGJBWDOIVSMH-SFHVURJKSA-N 359.433 3.326 0 1 FGAF in-vitro CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@H](CC(=O)CCC[C@]4(C)OC[C@@H]2C)[C@@H]31 40879063 ARTZUUBHXRPSMO-GQIYEJCSSA-N 364.482 3.142 0 1 FGAF COCCn1c(C(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187525 VXRUTZGVPUPAFT-UHFFFAOYSA-N 357.433 3.390 0 1 FGAF CCCCC/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)O 90427662 RZCPXIZGLPAGEV-YMQSTNHTSA-N 354.487 3.043 0 1 FGAF CNc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1 96273556 MDFFDSDCXAZBFF-YADHBBJMSA-N 364.489 3.151 0 1 FGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2cn1)c1ccccc1 261115657 IRIUXZWSBAGNHV-CYBMUJFWSA-N 361.352 3.405 0 1 FGAF N=c1nc(O)c2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2[nH]1 587049878 NARZLOLOVXCWJY-UHFFFAOYSA-N 365.780 3.271 0 1 FGAF Nc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1N 587044046 XYFPTXQTNSGARR-AWEZNQCLSA-N 359.842 3.036 0 1 FGAF CC[C@]1([C@H](F)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555744 LXUWIBYHMCQSQD-BJZITVGISA-N 360.337 3.014 0 1 FGAF COc1cccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(Cl)c2)c1 587052431 TVMPXGIAQVJTSI-UHFFFAOYSA-N 367.796 3.467 0 1 FGAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790535 INPVUQQESJCIFR-ANRSDYALSA-N 367.218 3.327 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1 586941951 YCZQDTPLXPIING-VQHVLOKHSA-N 362.842 3.010 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncnc(Cl)c3[nH]2)s1 587022884 CNXPBZJVRQILPU-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587248789 DVTFKFBKMNWFNB-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COC(=O)CC[C@H](N)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587258495 LOFOUWNWYLYSKQ-JTQLQIEISA-N 370.247 3.066 0 1 FGAF Cc1cc2c(cc1O)[C@]1(CCCC[C@H]1[C@H]1CCCCCN1)N[C@H](C(=O)O)C2 963550164 KIPXDULDCKBHAW-YNFBMLRVSA-N 372.509 3.217 0 1 FGAF Cc1cc2c(cc1F)[C@@](C[C@@H](C)C(=O)O)(c1cccc(CO)c1)NCC2 962294328 BXQLHVRPTWSTAL-SPLOXXLWSA-N 357.425 3.127 0 1 FGAF Cc1nn(C2CCCC2)cc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962922788 HQPWLHJWXPSGSQ-FQEVSTJZSA-N 352.482 3.244 0 1 FGAF O=C(CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 17358080 PHTAPNJHQRFXHR-QTBVYMFASA-N 368.521 3.052 0 1 FGAF CCOC(=O)c1ccc(CN2C(=O)[C@@H](n3cccc3)c3ccccc32)o1 206025431 BCXLIIIRGMQEKN-SFHVURJKSA-N 350.374 3.394 0 3 FGAF COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1 166072110 ZREYCMCCNLQHMS-UHFFFAOYSA-N 372.388 3.255 0 1 FGAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)[nH]cc2C)nc1 209442514 FUZCMRFVWSFAFO-WBVHZDCISA-N 362.433 3.335 0 1 FGAF COc1ccccc1[C@@H]1C(c2nn[nH]n2)=C(N)Oc2ccc3ccccc3c21 1857543195 ZCTDJVVPJNODHH-SFHVURJKSA-N 371.400 3.213 0 1 FGAF COc1cccc2c1CCC[C@@H]2NCCN1CCN(c2ccccc2)CC1 22938372 XGTOSEODMLDCBR-QFIPXVFZSA-N 365.521 3.484 0 1 FGAF CN1CCN(CC(=O)N(C)c2ccc(Sc3ccccc3)cc2)CC1 27994879 QNWICIWAXHLXJI-UHFFFAOYSA-N 355.507 3.048 0 1 FGAF C[C@@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(F)cc1 26009218 OPWPGDKELFUGTL-MOPGFXCFSA-N 360.816 3.471 0 1 FGAF COc1ccc(-c2ocnc2C(=O)NCc2ccnc(C)n2)cc1Cl 73293967 JURAKDUDMWGHDP-UHFFFAOYSA-N 358.785 3.032 0 1 FGAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 82082113 QQVVZDHNUIXYHW-HNNXBMFYSA-N 373.434 3.067 0 1 FGAF CCN1C(=O)N([C@H](C)c2ccccc2)[C@@]2(OC(=O)c3ccccc32)C1=O 84615474 DSJNRBFZOXCSOU-XCLFUZPHSA-N 350.374 3.055 0 1 FGAF c1cc(-c2nc(N[C@@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1 149006789 XPPBRBBOBIZKRK-CYBMUJFWSA-N 351.479 3.406 0 1 FGAF CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(N)c4)cc(c23)C1=O 96939905 AJZCFCZQAISQAS-UHFFFAOYSA-N 359.429 3.247 0 1 FGAF N[C@H](c1cccc(Cl)c1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 95586238 NMVQKQZIFRBWNR-MRXNPFEDSA-N 351.797 3.015 0 1 FGAF COc1ccccc1N1CCN(CCCCN[C@H]2C[C@H]3CC[C@H]2C3)CC1 253674558 VACNWTUDQQTSIL-UFYCRDLUSA-N 357.542 3.376 0 1 FGAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1 261190153 YVHVGXNKIZGXEJ-HDICACEKSA-N 367.497 3.313 0 1 FGAF O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1 40863335 HWQHXQCQIRAPKU-QHCPKHFHSA-N 368.392 3.208 0 1 FGAF biogenic COc1cc(C(=O)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC 653762941 HHFHOIXEZXKOPX-UHFFFAOYSA-N 354.362 3.302 0 1 FGAF CC(C)[C@H](NC(=O)C(=O)CCCCc1ccc2ccccc2c1)C(=O)O 653714766 KXUDDRZIASHXGW-IBGZPJMESA-N 355.434 3.347 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccc(N)cc41)[C@@H](C2)C3=O 587430860 CDOXUYALRCBPPE-YCRPNKLZSA-N 351.402 3.481 0 1 FGAF N=C(N)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167648 PLKARVUHMMPMBW-MRXNPFEDSA-N 366.400 3.355 0 1 FGAF COC(=O)[C@H]1CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440647 AIKRSOGAEPQUPX-DRSNIGMVSA-N 364.397 3.074 0 1 FGAF COc1ccc(/C=C\Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(OC)c1 587929699 OVNMCSGNCLXBKX-ARJAWSKDSA-N 374.418 3.083 0 1 FGAF C[C@@H]1OC=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587351002 HMQJSGISFWIOQW-VNNHTSALSA-N 354.333 3.131 0 1 FGAF COC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587106200 GWOZFISKZNFJNH-WYRIXSBYSA-N 371.392 3.464 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587042082 ICQBPQVIBOKUNE-LBPRGKRZSA-N 351.403 3.020 0 1 FGAF COc1cccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 587092893 BNCTZLCCVZERNM-AWEZNQCLSA-N 357.357 3.329 0 1 FGAF O=C1C[C@H](Cc2nc3ccnc(O)c3[nH]2)c2c(Br)cccc2O1 587004505 VGSBSEJILMMZAN-QMMMGPOBSA-N 374.194 3.061 0 1 FGAF COc1ccc2c(C)c(CCc3nc4c(N)ccnc4[nH]3)c(=O)oc2c1C 586918918 SXZPRPAUGBICNN-UHFFFAOYSA-N 364.405 3.057 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3nc(Br)ccc31)O2 587371880 HLWGJRNHDGMDQF-QGZVFWFLSA-N 374.238 3.411 0 1 FGAF CCCCc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587560209 DICFYNMUJDWXIX-UHFFFAOYSA-N 353.378 3.073 0 1 FGAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 1772627136 LWQHGBSWAOJNBR-UHFFFAOYSA-N 351.450 3.365 0 1 FGAF CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23)CC1 13523597 QVHRBLXNOGAPKG-UHFFFAOYSA-N 353.401 3.159 0 1 FGAF C[C@H](O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 14976867 WTZWWGVPJSFBKK-LBPRGKRZSA-N 359.369 3.498 0 1 FGAF COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)c2ccccc2)cc1 15952238 DERCBWLVMLBEMQ-CYBMUJFWSA-N 364.405 3.162 0 3 FGAF Cc1nc2c(o1)CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 169708414 KZRCAELXRNRAEC-HYSWKAIVSA-N 351.422 3.151 0 1 FGAF O=C(Oc1cc2c(S(=O)(=O)O)cccc2cc1C(=O)O)c1ccccc1 1857547187 YWJJRBOUYZIYNB-UHFFFAOYSA-N 372.354 3.004 0 1 FGAF CCC(=O)c1ccc(OCCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857599692 LBOSCZWBRKMXDH-NRFANRHFSA-N 360.498 3.192 0 1 FGAF OC[C@@H](NCCc1cccc(Cl)c1)c1ccc(O)c2nc(O)ccc12 1857770170 XTKAONDSNFRIOD-MRXNPFEDSA-N 358.825 3.165 0 1 FGAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289530 WVKVMRFBOVMGAX-SJBKTWHCSA-N 372.509 3.186 0 1 FGAF CCCCNCC1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27721186 JRAMAKRATQPWFA-IVKZONNUSA-N 368.521 3.290 0 1 FGAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)n1 2356302124 MEFCKVFTWDUSPP-YJBOKZPZSA-N 370.428 3.014 0 1 FGAF COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(OC)cc4[nH]3)c2c1 66097398 YSNCRCSEVXISFJ-UHFFFAOYSA-N 350.378 3.305 0 1 FGAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2cccc(OC)c2F)c1 61905934 JNMJMACMCKKUHN-FQEVSTJZSA-N 358.413 3.446 0 3 FGAF COc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2N)c1 28821843 ZQWRLMAEBNBJTD-AQNXPRMDSA-N 368.477 3.126 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12C)[C@]43O 2356631715 LRXSXOUROHJARD-HFWPAMRQSA-N 369.505 3.129 0 1 FGAF Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)cc1 73141297 DGLXOJMLPNCUDE-UHFFFAOYSA-N 371.444 3.407 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@H]4[C@H](C2)N(C)CC[C@]314 195038327 ISCBIDVJEHJCIE-FGAGKUJRSA-N 355.478 3.206 0 1 FGAF COC1CCC2(CC1)Cc1ccc(CC(C)C)cc1[C@]21N=C(N)N(C)O1 141079828 KYOBUNYVSJPTDD-FBPXKMNZSA-N 357.498 3.361 0 1 FGAF O=c1[nH]c(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cs1 95602810 KTOWMGMVSPDYJG-UHFFFAOYSA-N 350.396 3.043 0 1 FGAF COc1cccc2c(NCc3ccccc3)nc(-n3c(C)c(C)[nH]c3=N)nc12 145904883 FFOGTVWPWKCKNR-UHFFFAOYSA-N 374.448 3.466 0 1 FGAF Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccsc3)co2)n1 95572645 MAQKMKOOSQNASF-UHFFFAOYSA-N 360.416 3.311 0 1 FGAF N=C1N[C@](CF)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[C@H]2C[C@@H]2O1 473194846 SUUKHIFMZQJKSQ-DHSIGJKJSA-N 374.803 3.095 0 1 FGAF O[C@H](CNCc1nc2ccccc2[nH]1)COc1ccc(Cl)cc1Cl 299826369 ZLBXWTIMCNNUKF-GFCCVEGCSA-N 366.248 3.399 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1F)[C@@H](C2)C3=O 587425343 CAWRQKCKYKBEMN-RNODOKPDSA-N 355.365 3.369 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583217 USDAIDMLPSTXEZ-OXQOHEQNSA-N 365.389 3.034 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587445257 YARPHGFZXMEWNP-RBZFPXEDSA-N 356.374 3.210 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3nn[nH]n3)c1)CC2=O 587485620 PREMZGYCWODRHG-QGZVFWFLSA-N 350.378 3.231 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CO)ccn2)N1 587770928 KRWYNYZMKYLTPA-FVMDXXJSSA-N 351.219 3.099 0 1 FGAF C[C@H](c1nc2cnnc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128885 FEDTWVSAXXUZIB-GSVOUGTGSA-N 364.690 3.393 0 1 FGAF COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 586929560 XWQRZCRVEWNUSI-UHFFFAOYSA-N 365.842 3.046 0 1 FGAF COc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2n1 587019479 OQGQBROPGNQYHA-UHFFFAOYSA-N 371.447 3.328 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@H]4CO4)cc1)[C@@H](C2)C3=O 587452527 DQVBWCDGLBDNET-FIKGOQFSSA-N 352.386 3.136 0 1 FGAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617812 QZAUDCXWSLXBPH-YJBOKZPZSA-N 352.298 3.386 0 1 FGAF C[C@@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C=C(c2ccccc2F)NO1 587156644 OQGMRFYPDSQAIB-IBGZPJMESA-N 353.353 3.264 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)([C@@H](C)Oc1cccnc1)O2 587387923 UVGWVJXDGWQPBE-VQTZFIDTSA-N 367.449 3.219 0 1 FGAF CCC(=O)C[C@]1(CC)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962704001 TYZHLVZUJXHZJX-ZBFHGGJFSA-N 361.335 3.418 0 1 FGAF CC[C@H](c1nc(O)c2cnn(C(C)C)c2n1)N1CC(Oc2ccccc2)C1 1772612584 LQGBRKQMOXFYNN-QGZVFWFLSA-N 367.453 3.327 0 1 FGAF C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 12472304 ZMVROYMOUCLNOO-ZMLRMANQSA-N 372.701 3.400 0 3 FGAF C[C@@H](CO)CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 13380861 QZBPWZWWRPDXGM-VNBSIWGGSA-N 370.401 3.292 0 1 FGAF COc1cc(/C=C2\C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 14760324 MHLQLQUSZZCRFB-AVIKPIRVSA-N 370.401 3.217 0 1 FGAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccccc2)cc1 169729702 SSYBMYBOJXWIGY-ZWKOTPCHSA-N 352.390 3.280 0 1 FGAF O=C(c1ccccc1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076840 ZOVHVLLONGQMMD-UHFFFAOYSA-N 351.381 3.257 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(Cl)c1)OCO3 1857765416 MFKSWVWPHPQLQF-MRXNPFEDSA-N 373.792 3.326 0 1 FGAF O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 627302 WIEYNARULJLYQD-GJZGRUSLSA-N 370.405 3.039 0 1 FGAF O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 627305 WIEYNARULJLYQD-CABCVRRESA-N 370.405 3.039 0 1 FGAF CCN(CC)CCCN[C@@H]1c2cc(OC)ccc2OCc2ncccc21 1552189 GAVPAAGQFPCWAY-NRFANRHFSA-N 355.482 3.394 0 1 FGAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)Cc1ccccc1)C2 2356290296 OJTQMXURIRWUEV-GOSISDBHSA-N 350.418 3.295 0 1 FGAF [18F]CCOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1 100076872 RGBHOSATWXCXSR-GJQNQZCXSA-N 353.432 3.005 0 1 FGAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)c(F)c2)c1Cl 66074056 HPPGBVIWAXUVQK-ZJUUUORDSA-N 356.756 3.307 0 1 FGAF COc1cc(O)cc(C[C@@H]2COC[C@H]2C(=O)c2ccc(OC)c(OC)c2)c1 2356575356 KISYUAZBKVYACA-CRAIPNDOSA-N 372.417 3.106 0 1 FGAF CO[C@@H]1C[C@]23COC(=O)C2=CCC[C@@H]3[C@](C)(CC[C@@H]2COC(=O)C2)[C@@H]1C 2356589091 SCUXVSVJZSSYMR-PPABVHGSSA-N 362.466 3.270 0 1 FGAF CCCOC(=O)n1c2cc(F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26381094 UYNBAAUWESDOKB-UHFFFAOYSA-N 374.368 3.394 0 1 FGAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219950578 VZEGHYGOTDETNP-VKEQHCKMSA-N 372.502 3.400 0 1 FGAF in-vitro CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCNC(C)=O 82186474 CLCMHLFZWMCWLG-UHFFFAOYSA-N 372.498 3.293 0 1 FGAF CCOC[C@@]1(CN(CC)CC)COc2ccc3c(C)cc(=O)oc3c2C1=O 49032721 XOMRRNAJGVDHKE-NRFANRHFSA-N 373.449 3.041 0 1 FGAF CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 45318523 YJLVMNYHBPCQKV-FEPXJFPZSA-N 358.526 3.378 0 1 FGAF COc1cccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)c1 238744492 ZOYXYSKXQHOLHN-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3ccccc3OC)coc2c1 95586651 RKKXRCXNBGYAPC-JXMROGBWSA-N 351.358 3.462 0 1 FGAF Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3ccon3)ncc1CC2 143034817 RARISVZKDXRQBR-UHFFFAOYSA-N 358.405 3.298 0 1 FGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(C(=O)C2CCC2)C(C)C)cc1 95895722 HPOHRDWPCZRFFC-XIQYVOOFSA-N 356.510 3.173 0 1 FGAF Cc1c(C(N)=O)sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c12 473156094 SKMYKZYXPMRFNN-UHFFFAOYSA-N 360.414 3.190 0 1 FGAF c1ccc(CC2CCN(CCN3CCN(c4ccccn4)CC3)CC2)cc1 653739188 VIOBUWSSICSZEW-UHFFFAOYSA-N 364.537 3.158 0 1 FGAF COc1cc2nc(-c3ccc(O)cc3O)cc(C(=O)O)c2c(OC)c1OC 653729340 SYBHSFFHSZWILP-UHFFFAOYSA-N 371.345 3.037 0 1 FGAF O=C1C[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CN1 586989424 ILXPIEWDYAUEBA-HSZRJFAPSA-N 370.408 3.147 0 1 FGAF NS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131859 VSUIZDURDJTFPH-UHFFFAOYSA-N 363.389 3.092 0 1 FGAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1OC 587354069 SXMUOPNGPLBMFO-QCFAMHMHSA-N 372.392 3.453 0 1 FGAF CCc1nn(CC)c2c1[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433599 ZLCBECHFFHODID-SPLOXXLWSA-N 352.434 3.453 0 1 FGAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 587196514 YNKXKISDJUVSLU-UHFFFAOYSA-N 354.414 3.064 0 1 FGAF Cc1cc(Cl)cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587169350 BVUXVXZZVPBMMG-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF Nc1cc(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1N 587136924 YYUQZJQCUJGKCA-UHFFFAOYSA-N 356.586 3.344 0 1 FGAF N=c1nc(O)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2[nH]1 587071764 QXHMWBHCEDESJQ-UHFFFAOYSA-N 367.796 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@@H]1N=O)[C@@H](C2)C3=O 587429719 QUXHOZZMTHCIAO-RIFZZMRRSA-N 351.358 3.038 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cnccn2)N1 587774665 NKDLXTSBNBDQTL-HWPZZCPQSA-N 350.235 3.370 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Cl)ncnc2[nH]1 587041333 BHXCNEHVVCSTAS-SECBINFHSA-N 366.233 3.315 0 1 FGAF Cc1cnc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cn1 11878900 PUOVNHXZESKMMN-KRWDZBQOSA-N 367.449 3.307 0 3 FGAF CCCn1c(=O)c2c(nc(/C=C/c3cccc(F)c3)n2C)n(CCC)c1=O 13827001 JTQXOLBECFVKGM-MDZDMXLPSA-N 370.428 3.026 0 1 FGAF CC[C@H]1CC[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729843 INNHEOWFFKWYPN-BBRMVZONSA-N 362.857 3.363 0 1 FGAF O=C(O)Cc1c2n(c3cc(Cl)ccc13)C[C@@H](Nc1ncc(F)cn1)CC2 203538921 KBEMKCBLJVTKSU-LBPRGKRZSA-N 374.803 3.278 0 1 FGAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12 28527038 QJJTZXGUGNJLGS-KRWDZBQOSA-N 369.490 3.097 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1cc2ccccc2cn1 103253086 DIVYDNFJVUVXSB-SFHVURJKSA-N 362.385 3.198 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 100395247 BHMBVRSPMRCCGG-SUKOLCOCSA-N 352.471 3.251 0 1 FGAF CCCCn1cnc2c1C(=O)N1CCN=C1N2Cc1ccc(Cl)cc1 28219161 UIQZKHWIHXOBQA-UHFFFAOYSA-N 357.845 3.169 0 1 FGAF COCCOc1ccc(-c2c(C)nc3c(-c4ccncc4)ccnn23)cn1 68268149 YGJXEAMJZBLXSW-UHFFFAOYSA-N 361.405 3.187 0 1 FGAF CCOC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1 30612463 LQGIXNQCOXNCRP-UHFFFAOYSA-N 353.462 3.258 0 1 FGAF in-man CO[C@]12C(=O)c3cc4ccoc4cc3O[C@H]1COc1cc3c(cc12)OCO3 15147386 NUYYOLGSNQWSLU-ICSRJNTNSA-N 366.325 3.040 0 1 FGAF biogenic Cc1ccccc1C1=N[C@](C)(CC(=O)N(C)Cc2ccccc2)ON1C 74374349 OYCRCZTYVCNUKH-NRFANRHFSA-N 351.450 3.384 0 3 FGAF NC(=O)c1cccc([C@@](O)(c2cccnc2)c2ccc(Cl)cc2F)c1 72100857 CLUBDPXPDURZBY-LJQANCHMSA-N 356.784 3.257 0 1 FGAF O=C([C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1)N1CCCCC1 82085359 HEKPIJYBSBCQJA-AWEZNQCLSA-N 359.451 3.020 0 1 FGAF C[C@@H]1[C@@H](NC(=O)CN2CCN(C3CCCCC3)CC2)C[C@H]2C[C@@H]1C2(C)C 96271331 DRNHJNXPLJWURP-HNJRGHQBSA-N 361.574 3.124 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 90427944 GMVPRGQOIOIIMI-USBQFYKMSA-N 354.487 3.475 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCC4)[C@@H]3C2=O)cc1 25410504 PJCGAXQBEAVSAY-ROUUACIJSA-N 369.465 3.026 0 1 FGAF biogenic Cc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377605786 FURVGTBPFJSHRC-SGTLLEGYSA-N 371.804 3.321 0 1 FGAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1 473104950 QNWKNVOTSJCZBO-LBPRGKRZSA-N 356.476 3.397 0 1 FGAF CCc1ccc(N2C(=O)N(C3CC3)[C@@]3(OC(=O)c4ccccc43)C2=O)cc1 653845406 QYWJVMQMZUJYAZ-NRFANRHFSA-N 362.385 3.203 0 1 FGAF COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1OC 586967399 VPUDMQILFUIZCQ-UHFFFAOYSA-N 369.406 3.317 0 1 FGAF CCOC(=O)c1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444221 YMLNMUORYLOZLZ-AUUYWEPGSA-N 354.358 3.066 0 1 FGAF NC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079888 LRSBNDVPRZNFRA-CYBMUJFWSA-N 353.813 3.039 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COCOC2)N1 587836684 XGWHKUPMOOAMDO-MGPLVRAMSA-N 358.251 3.348 0 1 FGAF Cc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1C 587024232 QHUTWDZLTGAJGZ-UHFFFAOYSA-N 359.455 3.391 0 1 FGAF CCn1cc([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587389709 IRTCXXOVYUVXHS-WHXUGTBJSA-N 354.454 3.038 0 1 FGAF CCOc1n[nH]c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1Cl 587065510 SGAFFWWYVUKFLY-UHFFFAOYSA-N 367.118 3.419 0 1 FGAF Cc1cc(Cl)c2nc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cn2c1 962903427 UQWVSTPLACLXAZ-HOCLYGCPSA-N 359.788 3.124 0 1 FGAF Cc1cc2c(cc1O)[C@@](COC=C(F)F)(C(C)(C)C)N[C@H](C(=O)O)C2 963549201 JCKCZCGOHWKTCQ-UGSOOPFHSA-N 355.381 3.295 0 1 FGAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3)CC2)n1 146572565 NDLOBYOOFHEGCN-QAQDUYKDSA-N 353.470 3.004 0 1 FGAF O=C(CN1CCCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 149154925 IJOROPGNWRQUIU-UHFFFAOYSA-N 357.498 3.117 0 1 FGAF CN1Cc2c(C3=CCN[C@@H](CO)C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772613006 RAFHNNVNVIRIRR-CQSZACIVSA-N 364.424 3.056 0 1 FGAF CCCCC[C@@](C)(O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 11592768 DLJKPYFALUEJCK-FWUMOQJPSA-N 368.514 3.433 0 1 FGAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2OC)c1)C(=O)O 12358331 MSVBKZWLLJIWPH-HNNXBMFYSA-N 371.433 3.287 0 1 FGAF O=C1NC[C@H](c2ccccc2)N(CCC23CC4CC(CC(C4)C2)C3)C1=O 12726272 NVQNHMBKWBOETD-PQGQHUGISA-N 352.478 3.293 0 3 FGAF Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1C1CC1 169303765 ZAERTEXABXCRSA-FQEVSTJZSA-N 350.418 3.367 0 3 FGAF NC(=O)c1nnc(NC2CCCCC2)cc1Nc1cccc(C2CC2)n1 169308332 QMOISTYNOCNAEF-UHFFFAOYSA-N 352.442 3.336 0 1 FGAF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2C 169340213 WBVZUODNCPVLSS-VLQPXKRTSA-N 353.418 3.021 0 1 FGAF COc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@H]2N=O 169722180 ISDSSVKCDNZSHN-INIZCTEOSA-N 358.325 3.055 0 1 FGAF Cc1cc(C)c(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 167033169 JQDYSTZQRAOEAZ-OALUTQOASA-N 364.493 3.227 0 1 FGAF CCc1nc(NC(=O)N[C@H](COC)c2ccccc2)cc2[nH]nc(OC)c12 209402870 TURYBUYBVRFKTO-OAHLLOKOSA-N 369.425 3.038 0 1 FGAF Cc1ccccc1N1CCN(C(=O)NCSCc2c(C)noc2C)CC1 1857583425 MGVCMFIRLKTSOR-UHFFFAOYSA-N 374.510 3.322 0 1 FGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1 1491304 WMHFDRZUGQNXEK-UHFFFAOYSA-N 374.388 3.132 0 1 FGAF C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NCCO[N+](=O)[O-] 103624514 HFMCUXOLOKNKMI-CMDGGOBGSA-N 355.807 3.094 0 1 FGAF C[C@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)NC1CCCCC1 102485936 IYEOWXOQPABEOU-NSHDSACASA-N 355.467 3.387 0 1 FGAF NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CS1 103147243 PXQWSONWLAAKGA-PIGZYNQJSA-N 358.854 3.264 0 1 FGAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(NCCO)nc21 28017900 HTRYBPVWEODWDR-UHFFFAOYSA-N 366.347 3.013 0 1 FGAF CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1 64540681 BKNYFIGOAVIZIM-UHFFFAOYSA-N 352.450 3.286 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)cc1O 2356466694 PQFNGONRIQPGDV-FEBSWUBLSA-N 358.390 3.190 0 1 FGAF COc1ccc(CN2CC[C@@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC2=O)cc1 2356809327 AQALFWKOIUZMFD-ZWKOTPCHSA-N 372.509 3.328 0 1 FGAF O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccccc1 38318544 BODRPSOPTJLQKC-UHFFFAOYSA-N 370.474 3.263 0 1 FGAF FC1(F)CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139830066 SQVFKVRMHXYKSY-UHFFFAOYSA-N 353.376 3.084 0 1 FGAF CCn1c2ccncc2c2cc(S(=O)(=O)Nc3ccncc3)ccc21 40934122 GTZZECJFFGSSTI-UHFFFAOYSA-N 352.419 3.405 0 1 FGAF COc1ccccc1Cc1nnc2sc(COc3ccccc3)nn12 40974060 DTSOGDOVXLTJFO-UHFFFAOYSA-N 352.419 3.364 0 1 FGAF CC[C@H](C)Nc1ncc(N2CC(c3ccc([C@@H](C)NC(C)=O)cc3)C2)cn1 149970281 QVHZGOXUQJDNFC-LSDHHAIUSA-N 367.497 3.488 0 1 FGAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(C)cc2)C(=O)O)cc1OC 95586178 DQPNQNUKYGPKFO-JARZOMNASA-N 370.401 3.265 0 1 FGAF CC(C)(C)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586959645 SQNNJEGEVKIRKV-LJQANCHMSA-N 373.478 3.329 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccccc12 587797345 WJTGQDRLWORQBQ-XLFHBGCDSA-N 361.214 3.318 0 1 FGAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cnc1Cl 587422160 SARLUBGPGRJDFU-BZNIZROVSA-N 359.765 3.019 0 1 FGAF COc1ccc([C@@H](O)[C@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587938731 ZIOPGIZGNLKCOR-UFBFGSQYSA-N 352.316 3.169 0 1 FGAF Cn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587556043 NJDVPDCHYMQYCE-DNVCBOLYSA-N 372.327 3.248 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(Br)cc1)[C@@H](C2)C3=O 587417493 LFLPEQDAOHXYBA-SCLBCKFNSA-N 373.202 3.457 0 1 FGAF COC(=O)[C@@H]1C=C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587810219 UDROWZPBOCRPIZ-YRXQGLPXSA-N 354.219 3.067 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccn4)c1C)[C@@H](C2)C3=O 587430377 DVUFNTCLYGIDQS-BTYIYWSLSA-N 361.401 3.381 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ncnn23)N1 587790480 CFNMRQZKNGKSJL-JDNHERCYSA-N 361.218 3.255 0 1 FGAF CS(=O)(=O)/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586923806 WIJKXRXOSDBUNM-IHWYPQMZSA-N 369.162 3.360 0 1 FGAF Oc1nc(O)c2ccc(-c3cc(Br)cc(Cl)c3O)nc2n1 587365064 AOYZGRWMRCGTCP-UHFFFAOYSA-N 368.574 3.225 0 1 FGAF COC(=O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042329 SEIXHDKKKGEXMW-HOTGVXAUSA-N 353.447 3.296 0 1 FGAF COC(=O)c1coc2c1[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455444 MQJKURWXFHRRKH-ZUOKHONESA-N 354.358 3.054 0 1 FGAF Cc1ncccc1COc1ccc(-c2ccnc(N3CCNCC3)c2)cc1 1772588184 VRBCOFURTPKRNH-UHFFFAOYSA-N 360.461 3.441 0 1 FGAF COc1cc([C@@H]2COc3c(c(OC)cc4ccc(=O)oc34)O2)ccc1O 1772593887 POLLNTHCVOORMA-HNNXBMFYSA-N 356.330 3.028 0 1 FGAF CC1=N[C@]2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc32)N=C1N 169708522 XUUHWYIFXDEHNF-GOSISDBHSA-N 354.435 3.076 0 1 FGAF Oc1ccc(F)c(Nc2nc3nonc3nc2Nc2ccccc2F)c1 1857547504 RFWANZSBUUDAMN-UHFFFAOYSA-N 356.292 3.484 0 1 FGAF CCOC(=O)c1ccc(NC(=O)CCn2ccc3c2CCCC3=O)cc1 603008 WAIQLOAEOYCILQ-UHFFFAOYSA-N 354.406 3.213 0 1 FGAF investigational CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@]21C 3954056 VSGTWMOZGFNRPM-KSOJGUQGSA-N 360.494 3.055 0 1 FGAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccn4)C3)C2)cc1 3955736 RDBLEXHTOJNYDY-NRFANRHFSA-N 351.450 3.223 0 1 FGAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4043196 LAQDNFNEXRJMRQ-HKUYNNGSSA-N 355.438 3.354 0 1 FGAF COc1ccccc1CNc1ncncc1-c1ccc(C(=O)N(C)C)cc1 4239347 WIJZCUJSSWASCM-UHFFFAOYSA-N 362.433 3.466 0 1 FGAF OC1=C2C(=Nc3cc4c(cc3[C@H]2c2ccc3c(c2)OCO3)OCO4)CO1 100871371 IUDASFLIOAMWMD-QGZVFWFLSA-N 351.314 3.162 0 1 FGAF CCCCn1c(=O)cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643222 XFRTZUYXJVAJNT-IAGOWNOFSA-N 367.493 3.157 0 1 FGAF CC(C)Cn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643296 WSZXSZFRGVOFAU-HZPDHXFCSA-N 368.477 3.440 0 1 FGAF Cc1n[nH]c(-c2c(C)csc2NC(=O)Cc2cccc3nccnc23)n1 66079868 UBQAXNUSTYBVJI-UHFFFAOYSA-N 364.434 3.274 0 1 FGAF Fc1ccc(-c2cnc3n2C[C@@H](CNCCc2ccccc2)OC3)cc1 2356575173 DMHGVSMKRVOOTF-LJQANCHMSA-N 351.425 3.420 0 1 FGAF CC(=O)Nc1cccc(N(C)c2ncnc(N3CCc4ccccc4C3)n2)c1 72107666 FBQDSJPKEDIMBY-UHFFFAOYSA-N 374.448 3.161 0 1 FGAF NCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ccccc12 40892113 ULMYQZNGMAVAOW-UHFFFAOYSA-N 362.477 3.499 0 1 FGAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3ccccc3F)ncn2)CC1 82068301 FVXUPVDSPKWKGZ-UHFFFAOYSA-N 374.416 3.465 0 1 FGAF COC(=O)[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84654276 AMPMHMRKCJOKNC-KRWDZBQOSA-N 357.475 3.354 0 1 FGAF COC(=O)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C 82082744 HPGRFVCISVXKJD-KRWDZBQOSA-N 352.390 3.422 0 1 FGAF CS(=O)(=O)c1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)cc1 82084551 ZPCYPRYXCAUTHJ-UHFFFAOYSA-N 368.418 3.220 0 3 FGAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)c1ccccc1 95895538 LYKIWLGSUKNKFQ-YPAWHYETSA-N 362.473 3.100 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(-c3cnc(Cl)s3)nc-2[nH]1 587024000 YOJGYNWHKVQHNO-UHFFFAOYSA-N 358.814 3.399 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C3CC3)C(=O)C2)N1 587768228 LWLGPEKWGHYXJF-BMLIUANNSA-N 367.262 3.103 0 1 FGAF Cc1c(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)no2)cnn1C 587876245 PZAMNRYBVJAYHN-UHFFFAOYSA-N 365.324 3.180 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)N(C)c1ccccc1)[C@@H](C2)C3=O 587427707 FNZSZBALIBTUJC-HRAATJIYSA-N 351.402 3.254 0 1 FGAF CC[C@]1([C@H](N=O)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587738576 BHZLCXIPVQKZMW-YVILZHTOSA-N 373.222 3.036 0 1 FGAF CCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596345 NSMPTUDIQILCCQ-FXAWDEMLSA-N 356.374 3.456 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)CC(=O)c2cc(C)cc(N)c2O1 587380995 ZEYKSQZKYRLVKM-LJQANCHMSA-N 374.824 3.440 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 586949970 JXBSMKUJWBFZSU-UHFFFAOYSA-N 373.331 3.082 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]cc1Cl 587868634 QLSVBTKCJNEFRM-UHFFFAOYSA-N 371.706 3.038 0 1 FGAF COC(=O)c1cc(OC)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397753 ASDFAOQKVAPUSS-QGZVFWFLSA-N 371.389 3.088 0 1 FGAF COc1cccc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCCC2)c1 587933589 RPJTVBQDORGJOA-UHFFFAOYSA-N 360.421 3.407 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncccn1 587864601 MWAKXOKQIHNDBC-UHFFFAOYSA-N 362.311 3.446 0 1 FGAF Cc1ncsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276746 UPHDFSRFNZZADE-UHFFFAOYSA-N 353.197 3.079 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CC(=O)OC(C)C)c1C)O2 587390734 NQWRYUAUILYHJD-QGZVFWFLSA-N 371.437 3.049 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(C)C[C@](O)(c1nccn1C)C(F)(F)F 963035214 ZXKXMQGSYKBQTP-HOTGVXAUSA-N 373.444 3.300 0 1 FGAF COC1([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)CCCCC1 963240887 ZSHKSPPFIICMSB-ICSRJNTNSA-N 354.450 3.398 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962718096 RKCCRZUBFBGONC-JXFKEZNVSA-N 362.514 3.417 0 1 FGAF CC(=O)C[C@@H](c1ccc([S@@](C)=O)cc1)c1c(O)c2ccccc2oc1=O 5159720 AQJSRROQSBLBDW-QMTYFTJSSA-N 370.426 3.347 0 1 FGAF CN1C(=O)[C@@H](NC(=O)c2cc3cccc(Cl)c3[nH]2)Cc2ccccc21 13587915 FPTUMUAOXPDCRC-HNNXBMFYSA-N 353.809 3.139 0 1 FGAF COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 13762458 SXXANLLRNHHDSR-UHFFFAOYSA-N 373.460 3.213 0 1 FGAF CC(C)C(=O)O[C@@H](OC(=O)NCC1(CC(=O)O)CCCCC1)C(C)C 13973999 BAFWUBNBKVTLKL-INIZCTEOSA-N 357.447 3.319 0 1 FGAF O=C(O)c1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)ccc2c1 200775921 MIRMTKMPHRUACT-UHFFFAOYSA-N 371.370 3.037 0 1 FGAF COc1ccc(-c2cc(NC(=O)c3cccc(OC)c3O)cnc2O)cc1 1857632233 ZERQGLQDFRQFMX-UHFFFAOYSA-N 366.373 3.429 0 1 FGAF O=C(O)C[C@](O)(CSCCCCCCc1ccccc1Cl)C(=O)O 13758122 HPQPNKDAUARSOP-KRWDZBQOSA-N 374.886 3.467 0 1 FGAF Cc1cc(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)n[nH]1 59263587 RCUFJSPQSAHGNP-MAUKXSAKSA-N 353.470 3.033 0 1 FGAF CC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12 113822307 DRODGWWMTPIVDP-OAHLLOKOSA-N 357.364 3.307 0 1 FGAF Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1 59263575 MAVCXANXGDWPJD-WMZOPIPTSA-N 367.497 3.342 0 1 FGAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)Nc1ccccc1)c(-c1ccccc1)[n+]2[O-] 101650556 ZRZUZFPUBNWLKG-UHFFFAOYSA-N 371.396 3.334 0 1 FGAF CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)c[nH]c3c2)CC1 64513012 NAZKNCWBUXRZAC-UHFFFAOYSA-N 368.525 3.320 0 1 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64393131 QJQREYVFCQOAIW-CBQOVEMMSA-N 358.397 3.473 0 1 FGAF O=C(Nc1cccnc1)N1CCN(c2ccccc2C(F)(F)F)CC1 28107667 CJCQUJHBWINSSX-UHFFFAOYSA-N 350.344 3.455 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@]12C 2356660149 GFUASHMLKMINGK-WSYNCDOCSA-N 374.433 3.170 0 1 FGAF CCOc1ccc(-n2nc3c(N4CC[C@@H](OC)C4)nnc(C)c3c2C)cc1 72112228 CMKXTNFXBYWXGN-QGZVFWFLSA-N 367.453 3.056 0 1 FGAF NC1=N[C@H](c2ccccc2)NC(NCCCCOc2ccc(Cl)cc2)=N1 71294546 UTVDFNSMBIIHFA-KRWDZBQOSA-N 371.872 3.061 0 1 FGAF O=C(N1C[C@H]2CN(c3nccs3)C[C@H]2C1)C12CC3CC(CC(C3)C1)C2 96283283 KRAPHDQQEQCIFN-PHUDPNSLSA-N 357.523 3.254 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN1[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 254094467 WSCFZTLXQHUMEA-PJZUJULBSA-N 354.538 3.029 0 1 FGAF COCc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430247 QEHOESSVZZPREU-HXUWFJFHSA-N 365.429 3.426 0 1 FGAF COC(=O)[C@]1(/C=C(\C)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806994 KLIZHIBCSONXJA-UZMXKUNOSA-N 372.234 3.041 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3cc4ccccc4cc3[nH]2)cc1 586947281 VLTXLVYGFPILFA-UHFFFAOYSA-N 365.458 3.409 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586939422 OGYUESRRSHTAJU-LLVKDONJSA-N 369.450 3.183 0 1 FGAF Nc1ccc(-c2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)cc1N 587249785 JLOVTXFDKQOMBL-UHFFFAOYSA-N 359.389 3.342 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1Cn1cncn1)[C@@H](C2)C3=O 587433554 ZCMDHKAQXHNSHB-DKICVRJWSA-N 353.422 3.053 0 1 FGAF CCOC(=O)c1ccc2nc(CSc3nc(O)cc(CC)n3)[nH]c2c1 586966590 KDTMVZRSOBGCHY-UHFFFAOYSA-N 358.423 3.090 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCC(=O)O)c1)[C@@H](C2)C3=O 587443613 WSCCSRYQXKRZBI-KKSFZXQISA-N 368.385 3.428 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587799233 RHFJJZGTUOREKP-ZBTLEPIDSA-N 356.235 3.363 0 1 FGAF O=S(=O)(O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587137999 AYYZISPRNPLIMT-UHFFFAOYSA-N 356.325 3.012 0 1 FGAF Cc1cc(C)c(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)c(C)c1 587560124 BPOBSXNTRNUQGF-UHFFFAOYSA-N 353.378 3.045 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)cc(F)c2[nH]1 587248882 AQAKUJFHEQLEAN-UHFFFAOYSA-N 364.174 3.336 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCn2cncn2)N1 587758931 JUIMBPLSWZBFIC-BONVTDFDSA-N 353.239 3.019 0 1 FGAF CC(=O)n1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c2ccccc21 963527769 QRJZJCSNFZVDAY-FXAWDEMLSA-N 364.401 3.004 0 1 FGAF COC(=O)C[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 13860453 TXEZPMPRUXVPFI-HNNXBMFYSA-N 360.772 3.200 0 1 FGAF CCOC(CN1[C@@H]2CC[C@@H]1[C@@H](c1cccs1)[C@@H](C(=O)OC)C2)OCC 169335636 KISKEKBTLUJEQO-FSZRXZPDSA-N 367.511 3.257 0 1 FGAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCOc2c1ccc[n+]2[O-] 205619193 IHUMLMYNMNIYPT-GFCCVEGCSA-N 367.232 3.118 0 1 FGAF COc1ccc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 1857543492 ZKOXVXWGXHRQTD-UHFFFAOYSA-N 356.378 3.279 0 1 FGAF COc1cc(Cc2cnc(N)nc2N)cc2c1N[C@@](C)(CF)C(F)=C2C 603382 HKVFBDOFZVZRHQ-SFHVURJKSA-N 361.396 3.095 0 1 FGAF CC(=O)C[C@@H]1OC(=O)C2=CCC[C@H]([C@@H]3C[C@@H](c4ccoc4)OC3=O)[C@]21C 2356402725 OHWWUONSFYAWNR-BXNDMCELSA-N 358.390 3.131 0 1 FGAF CC(C)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 8236091 OOZHSSNQJXNZNS-GOSISDBHSA-N 365.385 3.299 0 1 FGAF biogenic Cc1n[nH]c2c1[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102021492 MHHJMWPVWOKQER-WFASDCNBSA-N 351.859 3.212 0 1 FGAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61927891 CSKCFRYCUPMTIR-QGZVFWFLSA-N 356.388 3.474 0 3 FGAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 36384237 GZWASHDLWHLMSJ-GOEBONIOSA-N 373.453 3.061 0 3 FGAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccc3)nn2)ON1C 73198584 JSVCQNCIHPICGB-JKSUJKDBSA-N 366.358 3.303 0 1 FGAF COCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133508 DNXPJIHGPAOHDH-HZPDHXFCSA-N 368.481 3.320 0 1 FGAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O 95912330 OFDLBJAQGFWTKC-YJVHIDGBSA-N 359.466 3.180 0 1 FGAF biogenic,in-vitro CCn1nc(C)c2cc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)ccc21 142747075 BIWBQFHNDTUSBJ-UHFFFAOYSA-N 374.404 3.331 0 1 FGAF CNC(=O)c1sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c2c1C 473160743 ZGXLPGBXVQLLJW-UHFFFAOYSA-N 374.441 3.451 0 1 FGAF O=C(CN1CCCc2ccccc21)n1ncc2ccc(Cl)cc2c1=O 587655121 SAFUTZNHSWTJJX-UHFFFAOYSA-N 353.809 3.143 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(N)=O)s2)N1 587849220 RGYNIDMUVLACFT-WJWGPLDTSA-N 369.259 3.372 0 1 FGAF COc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc1OC 587925561 FEBPMJGJMLDXBL-UHFFFAOYSA-N 366.190 3.468 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Br)ccnc2[nH]1 587040821 CIAWGAFXXLJGKD-VIFPVBQESA-N 369.288 3.341 0 1 FGAF C[C@@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175326 YDIJVGNGFUUBER-SFHVURJKSA-N 358.300 3.168 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCC(CO)CC3)cc1)O2 587394758 IREGLHBAHZCQAV-NRFANRHFSA-N 366.461 3.492 0 1 FGAF COc1cncc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168563 ZQLHAAMOCUFCGO-AWEZNQCLSA-N 355.373 3.475 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc2c(c1)NC(=O)[C@H](C)O2 963258573 OPFQWIJLMLJUNZ-YBTHPKLGSA-N 372.852 3.477 0 1 FGAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc4c3OCCO4)C2)cc1 1772649610 GXTXGUKRKXBQNG-OAHLLOKOSA-N 366.461 3.213 0 1 FGAF Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccnc(Br)c1 13560810 OAPZOARBGWCCDP-JTQLQIEISA-N 354.635 3.300 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1)C(=O)CC2 13744794 RKELTGFGNOTWPJ-UHFFFAOYSA-N 351.424 3.477 0 1 FGAF O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1cccc(Cl)c1 15937335 BOTJKGMWLXWAHA-ZWKOTPCHSA-N 363.866 3.168 0 3 FGAF O=C1N=C2/C(=C/c3ccccc3F)CNC[C@H]2[C@@H](c2ccccc2F)N1 169730016 BFTGTSCUZOSWSA-FFQUPGJUSA-N 353.372 3.473 0 1 FGAF Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 165844400 RVCUMGFNZZXOKY-CYBMUJFWSA-N 351.385 3.005 0 1 FGAF O=S(=O)(Nc1cc(C2=CCOCC2)cnc1Cl)c1ccccc1 1857566335 UBPARXCOZDDCDN-UHFFFAOYSA-N 350.827 3.340 0 1 FGAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1F 1857604171 MLMXXNCQTZEOKG-UHFFFAOYSA-N 362.474 3.410 0 1 FGAF Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1F 4971450 ALROKJMMEPLVNX-UHFFFAOYSA-N 374.437 3.234 0 1 FGAF COC(=O)C1=CCC[C@](C)(O)C=C[C@@]2(C(C)C)CC[C@](C)(O)[C@@H](CC1)O2 2356388701 OFJJTBHDOUZRJP-HZEGPAAWSA-N 366.498 3.292 0 1 FGAF CC(=O)Nc1cccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)n1 59972339 IMIWIUDULMYEKK-FQEVSTJZSA-N 350.422 3.322 0 1 FGAF O=C(c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1)N1CCNCC1 58599979 QWFHZLVKTPWZBG-SFHVURJKSA-N 353.466 3.201 0 1 FGAF Cc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F 115763967 DCTYIEQDJSQQKS-MWLCHTKSSA-N 368.233 3.134 0 1 FGAF NC(=O)O[C@@H](CCCN1CCN(c2ccccc2)CC1)c1ccccc1 118079494 UBEFATOHTBJESS-FQEVSTJZSA-N 353.466 3.425 0 1 FGAF COC(=O)[C@H]1C[C@H]2C(c3ccsc3)=C[C@H]1C(=O)N2Cc1ccccc1 2356727026 DMMZNHOUILDCCN-SQNIBIBYSA-N 353.443 3.352 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(COC1)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2[C@@H](O)[C@H]13 2356787052 TVXDWALFLWGXFF-GVLYELJYSA-N 360.450 3.432 0 1 FGAF Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)n[nH]1 38214922 SVTBFGDAWVMFBQ-UHFFFAOYSA-N 367.359 3.498 0 1 FGAF CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1CO)OCO3 14489740 SHJGPMXTRKMTHM-HNNXBMFYSA-N 363.369 3.447 0 1 FGAF biogenic CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070820 PLZJNOTUDIACCY-HNNXBMFYSA-N 374.437 3.128 0 1 FGAF COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 194962692 DYVYBMXIBPLUKH-NYGMARBTSA-N 355.478 3.294 0 1 FGAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 95568399 DJWOYQIVAOPRML-FQEVSTJZSA-N 368.433 3.191 0 3 FGAF OCCCN1CCN(C2=Nc3cc(F)ccc3Nc3ccsc32)CC1 96942040 RQFXFQUBYKLCLR-UHFFFAOYSA-N 360.458 3.023 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ncccn23)N1 587772290 FGTSCASZQDFITA-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF CN1CCN(c2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)CC1 587090681 VGVUCWPURRXXAG-ZDUSSCGKSA-N 350.747 3.238 0 1 FGAF N=c1nc2c(c[nH]1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586986839 FJBRSCGFZJAKMA-UHFFFAOYSA-N 366.380 3.120 0 1 FGAF COCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762684 ZJWQICGFWVSNEW-HWPZZCPQSA-N 368.250 3.055 0 1 FGAF O=C1CCc2cc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3cc2N1 587125332 DNZZREHLZLJRET-UHFFFAOYSA-N 353.344 3.388 0 1 FGAF CC[C@H]1OCCC[C@H]1c1nc2cc(I)cnc2[nH]1 586913772 SKHDVSJNZPFYBU-MWLCHTKSSA-N 357.195 3.235 0 1 FGAF COC(=O)C1=C(c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)C1 5811247 ZKCMETIEMBJGTE-MRXNPFEDSA-N 368.341 3.190 0 1 FGAF CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1 169305181 MFOCINSXGHPZJP-OAHLLOKOSA-N 354.406 3.313 0 1 FGAF O=C(CCc1cccc2c1B(O)OC2)Nc1ccccc1-c1ccccc1 1857602969 JCRWJQHDCSQKJH-UHFFFAOYSA-N 357.218 3.143 0 1 FGAF CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OCC(N)=O)cc12 798330 BJKSOYNMYFCBBH-UHFFFAOYSA-N 365.433 3.072 0 3 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049668 QXGVCVQHTRFICG-JKBKZWBZSA-N 364.445 3.198 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@H](C2)N1C(C)=O)OCO4 101340954 OKPDNMIWHNLPTK-SJORKVTESA-N 367.401 3.176 0 1 FGAF CCCCn1c(=O)cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643221 XFRTZUYXJVAJNT-IRXDYDNUSA-N 367.493 3.157 0 1 FGAF CC=C1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@H]2CO[C@H]1OC 2356726391 ZIFOXHSDBNOQNJ-VWFIUDSGSA-N 352.434 3.179 0 1 FGAF COc1ccc(Cn2c(C(=O)N3CCOCC3)cc3sccc32)cc1 37541451 YLSSWAFNZPBVLA-UHFFFAOYSA-N 356.447 3.232 0 1 FGAF CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3ccc(Cl)cn3)cc2C1 35825460 IYPRGGZMVDCNQR-MRXNPFEDSA-N 350.871 3.197 0 1 FGAF O=C(c1cccc(F)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74378414 HZUHGERMGNYSMC-SWLSCSKDSA-N 362.763 3.493 0 3 FGAF Cc1noc(C)c1-n1sc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O 1911570896 UFRRVBCGNUSOBK-UHFFFAOYSA-N 372.233 3.021 0 1 FGAF COc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49784246 BDPWHUZJNPCSPE-UHFFFAOYSA-N 350.346 3.261 0 1 FGAF CN(c1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C1CCCCC1 95575190 FAFPLOBEBFMXSG-UHFFFAOYSA-N 351.414 3.040 0 1 FGAF CCOC(=O)Cc1cc(OC)cc(O)c1C(=O)CCCCC[C@H](C)O 142220681 DQKQRJHXGRRJAK-ZDUSSCGKSA-N 352.427 3.020 0 1 FGAF C[C@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@@H](C)C(=O)C4(C)C)C(=O)O1 85798439 VLWLCFZSWPLWOA-DTWKUNHWSA-N 368.385 3.032 0 1 FGAF biogenic O=C(O)CSc1nnc(NC(=S)Nc2cccc(Cl)c2)s1 653723519 IJMFROKCQQYBGI-UHFFFAOYSA-N 360.873 3.177 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1 586935489 HRIPPGWVHSQTKE-UHFFFAOYSA-N 374.800 3.176 0 1 FGAF COC(=O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005561 KOZCWNDOAIPJIR-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF N=c1[nH]c2nc(-c3cc(Br)c(F)cc3F)nc-2c(Cl)[nH]1 587137901 RPAQFWUCVCFOMV-UHFFFAOYSA-N 360.549 3.078 0 1 FGAF COC(=O)[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349587 ITUALFFPAHEIRE-PJFOTGOESA-N 358.365 3.458 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(OC)ccc31)CC2=O 587478621 BDEBUNLFKIIRQB-FQEVSTJZSA-N 354.406 3.425 0 1 FGAF COC(=O)N(C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccccc1 587428245 IXRLYXHWTFAKGP-RDJZCZTQSA-N 353.374 3.084 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587783947 JPUIPIKTEBMSQH-UHFFFAOYSA-N 367.243 3.471 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C3CC3)C[C@H]2C)N1 587759290 FPVRTKGEAKDEKL-AGKHESDQSA-N 353.279 3.432 0 1 FGAF COC(=O)/C=C(\C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810614 VEKSVTYWCDWASJ-CCKPSTLFSA-N 356.235 3.457 0 1 FGAF C[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)Cc2ccc(F)cc2C(=O)O1 587173522 CUEKYPGZJRSQCZ-FQEVSTJZSA-N 368.364 3.492 0 1 FGAF O=C(c1cc(-c2ccc(O)cc2)on1)n1ncc2ccc(Cl)cc2c1=O 587651962 HRXIMIGDJXLBJY-UHFFFAOYSA-N 367.748 3.099 0 1 FGAF CCc1ccccc1NC(=O)c1nc2c(OC)c(C(=O)OC)ccc2[nH]1 587240959 MGBZMGKLJUKOGH-UHFFFAOYSA-N 353.378 3.173 0 1 FGAF CN1CCN(c2ccc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3c2)CC1 586917611 HIZQQHXBQVQMLC-UHFFFAOYSA-N 360.417 3.088 0 1 FGAF CCOC(=O)C[C@@]1(c2ccccc2F)NCCc2c1c(C(C)C)nn2C 962904093 BFKHEKNVHNCRBV-FQEVSTJZSA-N 359.445 3.025 0 1 FGAF CCn1ncc2c(O)c(Cc3cncc4cc(OC)c(OC)cc34)cnc21 1772619540 WGZYXDLOQOYBCB-UHFFFAOYSA-N 364.405 3.313 0 1 FGAF CCCn1c(=O)c2nc(C([C@@H]3C[C@@H]3C)[C@@H]3C[C@@H]3C)[nH]c2n(CCC)c1=O 13889615 HMVSPWMLAUTJBO-IGQOVBAYSA-N 358.486 3.102 0 1 FGAF COc1ccnc(-c2nc3cc(-c4nc5c(C)ncc(C)n5n4)ccc3[nH]2)c1 1857630577 NTTSKWNKVKKFRS-UHFFFAOYSA-N 371.404 3.355 0 1 FGAF C[C@@H]1CCNC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857759099 XKYMMSSYCNFZDW-DOMZBBRYSA-N 373.403 3.237 0 1 FGAF COc1cc([C@H]2CC(=Cc3cc(OC)c(O)c(OC)c3)C(=O)O2)ccc1O 2356424477 PNSSOAJYLBAZQQ-OAHLLOKOSA-N 372.373 3.195 0 1 FGAF OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 53045757 SXPBOUSSIQQBTK-UHFFFAOYSA-N 365.452 3.105 0 1 FGAF CN(C)c1ncc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 55326161 LGAKYYQQPDOXCQ-HNNXBMFYSA-N 374.510 3.057 0 1 FGAF CSc1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 66113398 VBZDHFPTDHITOO-UHFFFAOYSA-N 368.376 3.177 0 1 FGAF CCCC(=O)N1CCC[C@@H](c2cc(C(=O)NCc3ccccc3)no2)C1 61908690 VSNKSRNEZNVZRO-MRXNPFEDSA-N 355.438 3.111 0 3 FGAF O[C@H](COc1ccccc1-c1ccno1)CN1CCc2ccccc2C1 219745227 PMBSSQIJGHCQLH-SFHVURJKSA-N 350.418 3.140 0 1 FGAF CO[C@H]1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)C1 221265732 NWKQEAVQSYQHEJ-AWEZNQCLSA-N 353.426 3.032 0 1 FGAF O=C1NC(=O)/C(=C\c2ccc(OC[C@@H]3COc4ccccc4O3)cc2)S1 45364648 DFEJSZCZXHPODS-IREQLNLFSA-N 369.398 3.229 0 1 FGAF Cn1cc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3cccnc23)n1 95571832 OSUIVZWZMLHYTB-UHFFFAOYSA-N 352.785 3.036 0 1 FGAF COc1cc(-c2c3c(cc4cc(OC)c(O)cc24)CNC3=O)ccc1O 49017822 XMWQLKFMFCEWGA-UHFFFAOYSA-N 351.358 3.179 0 1 FGAF biogenic O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](n1cnnc1)C3 586987154 KDPWVECEUBWSFG-LBPRGKRZSA-N 368.396 3.473 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ncnn23)N1 587798393 VMCKNBBXSZNPOZ-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587585195 BOSCWMXVDUQWIS-GCJKJVERSA-N 373.364 3.226 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)[nH]2)N1 587789741 FVWIOUQYJJEREX-NXSYQRQQSA-N 353.191 3.238 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cncn2)(C2CC2)N1 587760691 PXKBDNBANXNEIQ-QFYYESIMSA-N 365.250 3.019 0 1 FGAF COC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774766 XPVWOVQLZFCLIW-DIFFPNOSSA-N 365.246 3.407 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c[nH]1 587060606 KFRVCZFPXYJUQQ-UHFFFAOYSA-N 358.192 3.148 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587022927 FNAGVMJXRFIHFG-UHFFFAOYSA-N 370.887 3.370 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)c1cccn1C)C(=O)OC 963243025 QZXADHGOUQTMQG-ZHRRBRCNSA-N 368.477 3.323 0 1 FGAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccccc1 1772617429 SESJORIIMPHFEV-QHAWAJNXSA-N 368.452 3.321 0 1 FGAF COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3ccccn3)C1)CC2 19770367 JISMHCGVKXKMFV-FQEVSTJZSA-N 367.493 3.122 0 1 FGAF CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@H]1N2C 169330475 WPSZKOIIDITBPV-JERLVFOGSA-N 358.265 3.094 0 1 FGAF c1cc(C2CC2)nc(-c2c[nH]c3ccc(-c4nnc(NC5COC5)o4)cc23)n1 203724521 QCKWETFAVPLIJH-UHFFFAOYSA-N 374.404 3.363 0 1 FGAF Cc1c(C(=O)N2CC[C@H](C)C[C@@H]2C)cnn1-c1nc(O)c2sccc2n1 1857579744 LKZLOYKECHFHIY-QWRGUYRKSA-N 371.466 3.152 0 1 FGAF COc1ccc(OC)c(-c2noc(N3CCN(C4CCCCC4)CC3)n2)c1 6931609 JPVZKGKSBPZVSJ-UHFFFAOYSA-N 372.469 3.209 0 1 FGAF C[C@]1(O)CCN(CC2CC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289454 WAEITXBTIFRCSE-URVUXULASA-N 356.510 3.269 0 1 FGAF N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3)cc2)cc1 28377678 CMQUKOACSUWXOS-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF Cc1nnsc1C1=NN[C@@H]2SC(c3c(Cl)cccc3Cl)=NN12 103216886 XOMWIQOMRWRAHN-LBPRGKRZSA-N 371.278 3.112 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(OC)c1 58592536 VTISQLKJQFUOLS-GOSISDBHSA-N 373.449 3.445 0 1 FGAF O=Cc1ccc(-c2cc(-c3cccc(C=O)c3)c(O)c(=O)c(O)c2O)cc1 28709525 UOEBXVRPPQGTQS-UHFFFAOYSA-N 362.337 3.123 0 1 FGAF CCC[C@@H]1CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)N[C@H](N2)N34)O1 2356843071 NBSWGTGLRFUXCQ-CSDLJKASSA-N 363.546 3.440 0 1 FGAF CO[C@H](CCCC[C@@H](C)CC(C)=CC(C)=CC(=O)O)[C@H](CO)C(=O)O 2356851945 QLJHLVMHRMAVKG-XOKHGSTOSA-N 356.459 3.258 0 1 FGAF CCCNC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61926486 JKCGAHRNCVAMIS-QFIPXVFZSA-N 350.462 3.413 0 3 FGAF CCc1cc(=O)oc2nc(OCc3ccc(C(F)(F)F)cc3)[nH]c(=O)c12 73196145 UUBDEXZMGJHVRC-UHFFFAOYSA-N 366.295 3.037 0 1 FGAF COc1cccc(NC(=O)C[C@@]2(C)N=C(c3ccccc3F)N(C)O2)c1 74373986 CHKUZQWLPJYJOQ-IBGZPJMESA-N 357.385 3.203 0 3 FGAF COc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccn3)cn2)cc1 74387563 RXEHNZNFCHXZHV-UHFFFAOYSA-N 350.422 3.005 0 1 FGAF COC[C@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 43020268 QRGCYSHRQBEQSP-LBPRGKRZSA-N 351.834 3.473 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)C[C@H](C(C)(C)C)[C@H]4[C@@H](C2)N(C)CC[C@]314 40373559 ISCBIDVJEHJCIE-WHWFMWFOSA-N 355.478 3.206 0 1 FGAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCC 82192748 LFNYUKBXXAXZCJ-XRZKJLPKSA-N 358.482 3.055 0 1 FGAF COc1ccc2c(c1OC(C)=O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 95598038 GLRJJXPRWYHFGP-KRWDZBQOSA-N 367.401 3.005 0 1 FGAF COc1ccc2[nH]c(=O)c3sccc3c2c1/C=C/CN1CCC(N)CC1 149762377 SKHYIRWDHHXTJT-NSCUHMNNSA-N 369.490 3.188 0 1 FGAF CC(C)(C)c1cc(C(=O)Nc2ncc(CN)s2)n(Cc2ccccc2)n1 299818886 AQTQREWEZHWOIO-UHFFFAOYSA-N 369.494 3.396 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587451842 RRCAGDFDKYFAJZ-PTPDTQQLSA-N 350.370 3.300 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594307 GHKBCINUJCSWCE-JXFKEZNVSA-N 354.358 3.066 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905689 YTVISZDCGLJJSQ-UHFFFAOYSA-N 359.451 3.390 0 1 FGAF Cc1ncncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587778696 OKDKCPQTMFAFKE-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1Br 587372664 MPJBSYIKJDCWHS-CQSZACIVSA-N 363.211 3.450 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3nncn3C)o1)O2 587412244 YGMQSFZFKVTUHJ-AWEZNQCLSA-N 356.407 3.156 0 1 FGAF COC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587106198 GWOZFISKZNFJNH-WLRWDXFRSA-N 371.392 3.464 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@@H](C2)C3=O 587438405 FKSCRJABAKKKSW-PTOXDTDZSA-N 358.434 3.425 0 1 FGAF Cn1cncc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957461 NLQOBXUCXKOYAO-MRXNPFEDSA-N 351.372 3.180 0 1 FGAF CCOCOc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963030384 NMWOSPBFNKDDJC-QVKFZJNVSA-N 352.434 3.202 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H](COc2cccc([N+](=O)[O-])c2)COC1(C)C 199067553 DRBXBBYBZPIJCI-ZDUSSCGKSA-N 352.387 3.346 0 1 FGAF biogenic CC(C)(C)OC(=O)N1CC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)C1 205771636 JBPRNRPMVKPCEG-SJLPKXTDSA-N 355.438 3.071 0 1 FGAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3C)ncn2)c1 1772615654 QNMAUMQXQDYJPJ-UHFFFAOYSA-N 369.450 3.180 0 1 FGAF COc1ccc(N)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579636 UTAOAKRJFDMFLB-QGZVFWFLSA-N 362.857 3.211 0 1 FGAF Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1 169341669 FHLLUBJCTSMNCQ-DLBZAZTESA-N 353.470 3.223 0 1 FGAF COc1ccc2c(C(=S)N(C)CC(N)=O)c(F)ccc2c1C(F)(F)F 596244 LCVANLBJTQPHGV-UHFFFAOYSA-N 374.359 3.099 0 1 FGAF O=S(=O)(c1ccccc1)c1c(C2=NCCCN2)[nH]c2ccc(Cl)cc12 6581570 BXBRMCDRYDQMCL-UHFFFAOYSA-N 373.865 3.394 0 1 FGAF c1ccc2c(c1)OC[C@H](CSc1n[nH]c3c4ccccc4nc-3n1)O2 103637713 LRVRNJOEAAORBA-LLVKDONJSA-N 350.403 3.390 0 1 FGAF COc1ccc2c(c1)Oc1ncn(N)c(=N)c1[C@@H]2c1ccc(Cl)cc1 103099270 QGXSOHOTPRLEPU-OAHLLOKOSA-N 354.797 3.024 0 1 FGAF CC(C)O[C@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204832 GTLVWWDDHQLZBL-WFASDCNBSA-N 368.865 3.335 0 1 FGAF COC(=O)C1=C(c2ccc(I)cc2)C[C@@H]2CC[C@H]1O2 28456664 SIVVTQXNEALXFA-WCQYABFASA-N 370.186 3.169 0 1 FGAF CC(C)(C)OC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)OC(C)(C)C 26376670 NXUAJJVBOPAWIB-HXUWFJFHSA-N 361.438 3.477 0 1 FGAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@@H](OC=O)C(C)(C)O 2356632055 DDOGXGOJGIHGOH-GOSISDBHSA-N 360.406 3.211 0 1 FGAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 36177290 RLATZNIHDCUZGM-NBYUQASBSA-N 365.429 3.300 0 1 FGAF COc1ccc(Oc2c(Cl)cnn(CC(=O)OC(C)(C)C)c2=O)cc1 73258284 PUOWPYQRLCOIHJ-UHFFFAOYSA-N 366.801 3.039 0 1 FGAF COC(=O)[C@@]1(O)C=CC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)C3=CC[C@]21C 38424223 QAFAYNBOMJQCDE-KHDMTIDOSA-N 372.417 3.091 0 1 FGAF COc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@@H](O)[C@@H](c1ccc(O)cc1)O2 14648180 UZKPAEYMUOTYEF-XUVXKRRUSA-N 372.417 3.143 0 1 FGAF biogenic C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2OC)CO3)O1 14825565 HRRLYEDDDAJRSW-HUUCEWRRSA-N 368.385 3.345 0 1 FGAF biogenic COCCn1c(-c2cccnc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179193 JYZPODAHLQUBST-UHFFFAOYSA-N 374.448 3.455 0 1 FGAF Cc1csc2ncnc(N3CCC(CNCC[C@H]4CCCN4C)CC3)c12 146459560 LTYZWYKLJMEIAN-QGZVFWFLSA-N 373.570 3.290 0 1 FGAF COC(=O)[C@H]1[C@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 253638711 ORFLNTHIEFVEDL-PMXSJFBMSA-N 366.461 3.497 0 1 FGAF C=CS(=O)(=O)N(C)CCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 621485915 SZNFKZFZDQGELK-UHFFFAOYSA-N 368.886 3.437 0 1 FGAF CC(C)C(=O)C1=C(O)[C@@]2(C)C[C@H]3C(C)(C)[C@H](C(C)(C)O)C[C@]3(C1=O)C2=O 34536103 CFHAUVDSEYXYMD-DGWQTREISA-N 362.466 3.005 0 1 FGAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CO)ccn2)N1 587770930 KRWYNYZMKYLTPA-XXFAHNHDSA-N 351.219 3.099 0 1 FGAF COC(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596083 ULAAMUWLIFGJQW-XLIONFOSSA-N 354.358 3.066 0 1 FGAF COC(=O)[C@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806081 JBNHWLKBTACQLC-SEFYAATASA-N 356.235 3.291 0 1 FGAF Cc1cnc(N)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748179 VOISIDFORQFEDU-VFZGTOFNSA-N 350.235 3.497 0 1 FGAF C[C@@H](c1nc2c(N)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128166 GXIIPTOWISBYNQ-VKHMYHEASA-N 363.706 3.270 0 1 FGAF COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587228922 JTOZAZIYXNPTFQ-UHFFFAOYSA-N 366.421 3.256 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(C)cc1 587216587 GEMIPSNVNFMFLI-INIZCTEOSA-N 365.433 3.453 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587234685 HYUHUEASUKCNPQ-RQJHMYQMSA-N 362.149 3.194 0 1 FGAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587069753 KCPPGYOLRYBNTQ-CYBMUJFWSA-N 354.841 3.386 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCC(=O)O)[C@@H](C2)C3=O 587442655 RPEUMWXPXZSQNQ-XOBRGWDASA-N 354.358 3.037 0 1 FGAF O=C1CC=Cn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587589995 ZCVVPODHZQZDCT-YLJYHZDGSA-N 374.352 3.349 0 1 FGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587429522 VUDGWAUROIXYNW-MGPUTAFESA-N 356.349 3.342 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587807555 LURKNQPIGPJQFY-GSDQYQHOSA-N 368.246 3.457 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccnc3[nH]2)cc1 587040262 MIPHAXGQGCXJLW-HNNXBMFYSA-N 354.435 3.244 0 1 FGAF N=C(N)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169255 ZNENZKOYMQLZHG-UHFFFAOYSA-N 361.384 3.111 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3cnc(Br)cn13)O2 587371293 FHKKNLJTEICUOZ-CYBMUJFWSA-N 373.210 3.089 0 1 FGAF Cc1[nH]nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1Br 587872094 GYVTXEYBCPZXKD-UHFFFAOYSA-N 363.146 3.277 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587163658 UCAJUPOBAPODKU-KGLIPLIRSA-N 359.426 3.223 0 1 FGAF COC(=O)c1cc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2cc1OC 587245016 UQFHPRCTVUUYDC-HJWRWDBZSA-N 351.362 3.010 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCCO[C@H]3CC)[nH]c2c1 586913736 RZOIMXOFEBYGBT-PBHICJAKSA-N 365.499 3.314 0 1 FGAF CN[C@H](CCOc1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)N(C)C)cc1 13478518 BGGBDKDNDXWHQP-GOSISDBHSA-N 373.409 3.385 0 1 FGAF O=C(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C1CC1 1857582430 IIUNLBIRKPRDBW-UHFFFAOYSA-N 364.445 3.330 0 1 FGAF COc1ccc(/C=C/S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1857653716 UVRZCORPFMKOKK-MDZDMXLPSA-N 364.419 3.166 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(O)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632393 JEYBNNVZHSMLCJ-SJKOYZFVSA-N 368.458 3.066 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 58583959 CXGKZTBPGHOGHE-JUFNAOHJSA-N 374.506 3.135 0 1 FGAF Nc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1C(=O)O 59185439 KMCLHHLSAJFNEG-UHFFFAOYSA-N 358.353 3.431 0 1 FGAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61928055 GDZQKSFPBQOQSL-QGZVFWFLSA-N 372.387 3.354 0 3 FGAF Cc1cc(=O)oc2cc(SC3=NS(=O)(=O)c4ccccc43)ccc12 64587596 BZNBNPVUWZKKME-UHFFFAOYSA-N 357.412 3.343 0 1 FGAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(CCO)cc3)c21 116989640 ZIIWMNMTPCAXMA-UHFFFAOYSA-N 359.429 3.313 0 1 FGAF CCOc1ccc2cc(-c3nn([C@H](C)C(C)C)c(N)c3C(N)=O)cnc2c1 221780371 MXVDOTDIJVYNLE-GFCCVEGCSA-N 367.453 3.395 0 1 FGAF COCC(=O)N1CCc2[nH]nc(-c3cc(F)c(Cl)cc3Cl)c2C1 82039445 HSSBNQBLTNKZHF-UHFFFAOYSA-N 358.200 3.054 0 1 FGAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCNCC3)co2)cc1 82075714 NRFOHOOVCMCWCM-UHFFFAOYSA-N 357.454 3.346 0 1 FGAF Nc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140191555 KVLZCVRVFSPXGY-UHFFFAOYSA-N 354.417 3.273 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)cc2[nH]1 586963201 LQMKYSNUFSBAPI-CYBMUJFWSA-N 358.423 3.397 0 1 FGAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCCCC1 587559282 WNPYHULLZOHQAF-UHFFFAOYSA-N 366.421 3.098 0 1 FGAF Nc1ccnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984366 JTAVBKGYUINLHW-HNNXBMFYSA-N 372.270 3.488 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4c(C(=O)O)csc41)[C@@H](C2)C3=O 587451743 KGJDLHPLNCOAPJ-ORAYPTAESA-N 356.399 3.434 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSCC(=O)O)(c1ccccc1)O2 587408922 JOMGQCBEWYIPMP-LJQANCHMSA-N 357.431 3.256 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(O)c2)N1 587771516 MCVCGMXBZQNAAA-JDNHERCYSA-N 351.219 3.487 0 1 FGAF Nc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1CC(=O)O 587250432 UJBJTFKWHGZBBC-UHFFFAOYSA-N 364.174 3.341 0 1 FGAF CCOC(=O)C[C@]1([C@@H]2CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587530416 BQZSKSUAUIRPCH-RXVVDRJESA-N 358.434 3.402 0 1 FGAF CC(C)c1nn(C)c2c1[C@](C)(c1cnn(-c3ccc(F)cc3)c1)NCC2 962915132 UBNDKGPOOIANNL-FQEVSTJZSA-N 353.445 3.278 0 1 FGAF COC(=O)[C@@H](Cc1cccc(Cl)c1)[C@]1(C)NCCc2c(C)ccnc21 963070933 IALZGZNOXWURCQ-XLIONFOSSA-N 358.869 3.436 0 1 FGAF Fc1cccc(F)c1[C@@]1(c2ncco2)NCCc2nc3ccccn3c21 962983212 BECGUQREXXKEPM-LJQANCHMSA-N 352.344 3.038 0 1 FGAF Cc1cc2c(cc1O)[C@@]1(C[C@@H](C)Sc3sccc31)N[C@H](C(=O)O)C2 963465303 BKAVTZSOUCLMFE-RHXQLXPWSA-N 361.488 3.489 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962940239 ACPAFVZLVBYTSY-BFSXNFSYSA-N 368.477 3.466 0 1 FGAF NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)[nH]2)c(Cl)cc1Cl 169351736 MGDFMWCHBUBBBE-UHFFFAOYSA-N 369.233 3.093 0 1 FGAF CN(C)C(=O)c1ccc(N(CC(C)(C)C)C(=O)c2ccc(O)cc2O)cc1 1857533846 KJXWBDJAUBXVCV-UHFFFAOYSA-N 370.449 3.493 0 1 FGAF Nc1cccc2c1C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O 3814227 VQMSAQJYFHAVFV-UHFFFAOYSA-N 363.461 3.167 0 1 FGAF Cc1ccc2onc(CNC(=O)N3CCN(C4CCCCC4)CC3)c2c1 6866086 ZUSXJVGGUFQTME-UHFFFAOYSA-N 356.470 3.296 0 1 FGAF Cc1n[nH]c(-c2ccco2)c1CCCCN(C)c1ncnc2[nH]cnc12 58650871 PBUASXAIYKZEKU-UHFFFAOYSA-N 351.414 3.104 0 1 FGAF in-vitro COC(=O)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28525901 LBHLXRSCRQWUHK-OZIGNCPNSA-N 366.461 3.332 0 1 FGAF CCOC(=O)c1c(C)cc2cnn(-c3ccc(OC)cc3)c(=O)c2c1C 28757738 APLMDAUAISPOJM-UHFFFAOYSA-N 352.390 3.188 0 1 FGAF CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21 118577980 RFXCQMPYISFHBQ-LJQANCHMSA-N 373.840 3.162 0 1 FGAF COc1c(C)c2c(c(N)c1C/C=C1\CCC[C@@H]1[C@H](C)C(=O)O)C(=O)OC2 26744831 QDSHPKRSXSWYQZ-KGBWWEOFSA-N 359.422 3.246 0 1 FGAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937746 KHGDILJGZLKKBP-FPOVZHCZSA-N 358.432 3.151 0 1 FGAF CC(C)=CCc1cc(C[C@@]2(O)OC(=O)C=C2c2ccc(O)cc2)ccc1O 2356720733 IBLCTZODOHIUCU-JOCHJYFZSA-N 366.413 3.478 0 1 FGAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]21CCC(=O)NC1CC1 2356870618 XTEFTOQHXOSCQH-KJNZLNQQSA-N 350.547 3.379 0 1 FGAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC([C@@H](O)c2ccccc2)CC1 36294498 SWVYCQUYJGMYRI-FQEVSTJZSA-N 350.418 3.459 0 1 FGAF CCOc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1 35028337 JUPUUUXSYXKLHJ-UHFFFAOYSA-N 356.385 3.229 0 1 FGAF CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 38962719 PSPVXBNQXJOZAJ-FQEVSTJZSA-N 352.434 3.065 0 3 FGAF COc1cc2c(cc1O)CCN(C)[C@H]2CCc1cc(O)c(OC)c(OC)c1 13374742 GFNRNKOPJMPASU-INIZCTEOSA-N 373.449 3.285 0 1 FGAF biogenic CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@H]1CO)OCO3 14489742 SHJGPMXTRKMTHM-OAHLLOKOSA-N 363.369 3.447 0 1 FGAF biogenic CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(=O)O 84668353 LUYPCFCSDSSQSY-UHFFFAOYSA-N 357.406 3.177 0 1 FGAF COCCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178378 PUJLZBBTDNEGPL-UHFFFAOYSA-N 360.421 3.147 0 1 FGAF COc1cc2ncnc(N3CCO[C@@H](c4ccc(F)cc4)C3)c2cc1OC 96168417 LZQXWAIFJJNBHE-LJQANCHMSA-N 369.396 3.364 0 1 FGAF CO[C@H]1CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C 144047790 RORTXKIKOLHPKX-KRWDZBQOSA-N 354.381 3.371 0 1 FGAF CN1CCN(c2ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc3c2)CC1 96907923 HPLMSCYSFNNJJD-UHFFFAOYSA-N 360.417 3.088 0 1 FGAF CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 253636893 CYMWNIIJIXYBNA-CTYIDZIISA-N 370.432 3.444 0 1 FGAF COc1cc(-c2cn(C)c(=O)c3ccccc23)cc(OC)c1CN(C)C 653878518 UIULTDHSORWSLL-UHFFFAOYSA-N 352.434 3.284 0 1 FGAF CC[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583386 VUNXEPHNEJHNRR-XLIONFOSSA-N 350.374 3.393 0 1 FGAF CNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(Cl)c2)n1)C(C)(C)C 150068554 IUBHHSIXQXKDBY-MRXNPFEDSA-N 359.857 3.293 0 1 FGAF Clc1cccc(-c2cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)n[nH]2)c1 587068396 UYELJYNZMMUOQQ-UHFFFAOYSA-N 362.784 3.249 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(O)cc1O 587612812 WOCQVPUSLRSUAE-FXAWDEMLSA-N 366.325 3.212 0 1 FGAF N[C@H](N=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039826 GAKWNAYOKWULEA-BRWVUGGUSA-N 353.451 3.233 0 1 FGAF Cc1c(F)ccc2c1[C@]1(CC[C@@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962095321 WUBQISBLJXVPSB-IVZQSRNASA-N 364.420 3.324 0 1 FGAF COc1cc2c(cc1OC)[C@](C=C(N)N)(C1CCCCC1)N(C)[C@@H](C)C2 962638027 OOGMCNQWSQBHDX-QKKBWIMNSA-N 359.514 3.115 0 1 FGAF Cc1ccc(-c2ncnc(N[C@@H]3CCc4nc(N)sc4C3)c2O)cc1 219510507 VSILXMCTEXYHKR-GFCCVEGCSA-N 353.451 3.166 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@@H](O)OC3=O 2356388603 LATVQMDENFSLIO-GKFMZTTFSA-N 362.466 3.354 0 1 FGAF Cc1cc(S(=O)(=O)Nc2nc3ncccc3[nH]2)c(S)cc1Cl 1655887 WLWSYRALDJIRQB-UHFFFAOYSA-N 354.844 3.009 0 1 FGAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356417548 DZCKAXTWCUFDEX-HZPDHXFCSA-N 369.465 3.235 0 1 FGAF COc1ccc(-c2nonc2-c2cc(OC)c(OC)c(OC)c2)cc1N 6745070 VKIOLXSBTPGQBJ-UHFFFAOYSA-N 357.366 3.020 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 58583031 LMKMYJGZBLESNG-BJJXKVORSA-N 362.495 3.277 0 1 FGAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3ccc(F)cc32)CC1 27847152 QQTHBPXGAAGQIA-UHFFFAOYSA-N 369.415 3.243 0 1 FGAF O=C(c1ccc(F)cc1)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103194288 KNCFFHJPEHNREA-ZDUSSCGKSA-N 358.266 3.264 0 1 FGAF Cc1ccc(-n2c(SCC(N)=O)nc3c4ccccc4nc-3c2O)cc1 100086870 OVHNGSHHLLQGHU-UHFFFAOYSA-N 364.430 3.117 0 1 FGAF C[C@H]1CC[C@@H](Oc2c(F)cc(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 101334422 NLCMINSUEGCGSP-JDFRZJQESA-N 352.425 3.291 0 1 FGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(C(C)(C)C)cc3c12 28522438 JIXCYWNOTTXYNP-UHFFFAOYSA-N 361.449 3.402 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)CCc1cccs1 61897548 RCVLCWPDRYWZSV-IBGZPJMESA-N 372.446 3.039 0 3 FGAF COc1ccc([C@@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC 29306239 YXLADDLCAWAQGT-RXVVDRJESA-N 358.458 3.355 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1[C@H](O)C=C2C1=CC(=O)OC1 119305690 LOUCJBIZSPLEFL-BWSDGDQTSA-N 372.505 3.380 0 1 FGAF in-man O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccccn2)C1 113142792 PIZVTBZIIDCETJ-UHFFFAOYSA-N 374.231 3.303 0 1 FGAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)CC(C)C)C1 2356782058 CORPOBIVEWKOMG-NWGLXNPWSA-N 350.455 3.171 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)[C@@H]3CCNC3)ccc12 72177376 FKDWBTOUGABYNU-CYBMUJFWSA-N 352.463 3.295 0 1 FGAF CC[C@H](C)CNC(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 39301059 BJZNGUGTDBKEGC-RDJZCZTQSA-N 353.470 3.351 0 1 FGAF COc1cc([C@H]2Oc3cc(C=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC 15211471 QXUIUNFQZDLKHB-VOJFVSQTSA-N 374.389 3.435 0 1 FGAF biogenic COc1cccc(C2=N[C@@](C)(CC(=O)Nc3ccccc3C)ON2C)c1 74373346 KSFKSXHDZOEWLJ-HXUWFJFHSA-N 353.422 3.372 0 3 FGAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(N)n3)c2F)cn1 212159626 CTSJLNDQNVYISG-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc([C@@H]3CCCNCC3)n2)cn1 216483737 KPQCOYIDZWONGI-OAHLLOKOSA-N 373.464 3.073 0 1 FGAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(-c3cncnc3)n[nH]c2C1 225984370 GXNIYQCVNZERQO-UHFFFAOYSA-N 374.231 3.372 0 1 FGAF Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3)nn2c(O)c1C 299870577 WLUXRBLQDISTAF-KRWDZBQOSA-N 350.422 3.419 0 1 FGAF Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(F)cc1)C3 299866028 VBOXKKSQEAQSEF-FQEVSTJZSA-N 353.397 3.165 0 1 FGAF Cc1nccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587768492 DBFLQBSKEGZKSE-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF NC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573347 VXXOLZFBIPJQPZ-WIYYLYMNSA-N 365.360 3.347 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1cnn(CC)c(=O)c1Cl 587871365 UZKWSZHCTDHOAL-UHFFFAOYSA-N 362.792 3.307 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c[nH]nc32)N1 587795883 PDGLSYUGCINAFI-ABKXIKBNSA-N 350.235 3.425 0 1 FGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763099 HYDPUFBDCAUEMQ-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2 587385687 DVGQOIXKKMXUPD-QUCCMNQESA-N 368.389 3.146 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C3CC3)C[C@H]2C)N1 587760884 MQVVCFMGRYNSMD-CZIZLABSSA-N 353.279 3.432 0 1 FGAF Cc1onc(-c2nc3c(O)ncnc3[nH]2)c1COc1ccccc1Cl 587063689 SEZTXWWBVZTKJU-UHFFFAOYSA-N 357.757 3.254 0 1 FGAF CCOC(=O)[C@@H]1CN(CC)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518041 ZBVRVOGKBCCZFS-PGRDOPGGSA-N 371.477 3.174 0 1 FGAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1NC(C)=O 587385508 CVVIUXCJBBWHNN-FQEVSTJZSA-N 354.406 3.425 0 1 FGAF O=C(O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120347 ZJGCEGNYCLBBIX-UHFFFAOYSA-N 364.327 3.404 0 1 FGAF O=C(O)c1cc(F)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913043 KUIJRUGGALBGSU-UHFFFAOYSA-N 356.353 3.202 0 1 FGAF CCCn1cnc2cc(-c3nc4cnnc(O)c4[nH]3)cc(Br)c21 587003317 ILTQVRWYYQOCDX-UHFFFAOYSA-N 373.214 3.248 0 1 FGAF COC(=O)[C@H](C)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597363 YVQUMPLXAGFVIN-QROBEVECSA-N 356.374 3.312 0 1 FGAF CCOC(=O)c1[nH]c([C@@H]2NCCc3cc4cccc(OC)c4nc32)cc1C 963052726 GULHEZSEYKGZCP-FQEVSTJZSA-N 365.433 3.292 0 1 FGAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1 1772624353 DGXRYTHRDATEHL-UHFFFAOYSA-N 364.357 3.330 0 1 FGAF CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@H](C)C(=O)C[C@H]12 1772593590 SXIDZSBZEIYEMV-JNZMBRMSSA-N 366.454 3.247 0 1 FGAF CN(C=O)c1c(-c2cc3c(cc2O)OCO3)ccc2cc3c(cc12)OCO3 5965445 TVGSPKUWBOWRHI-UHFFFAOYSA-N 365.341 3.262 0 1 FGAF biogenic,in-vitro COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc(OC)c(OC)cc21 14765629 KUHFDZAEYVTHRS-DLBZAZTESA-N 355.434 3.396 0 1 FGAF CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NC1CCCC1)CC2 14537509 HVWNSNQQOISBBC-KRWDZBQOSA-N 358.530 3.213 0 1 FGAF N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 29038843 QELOIXSGJMIHBZ-ROUUACIJSA-N 361.378 3.118 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 3206034 FNTSFFPZWGZOQW-UHFFFAOYSA-N 362.476 3.083 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 3928065 JDFLTRXXHVSTHR-OCSRFSMESA-N 359.466 3.416 0 1 FGAF CCNC(=S)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(Cl)cc1 61905034 MMEZDXSUQQTKHE-UHFFFAOYSA-N 374.897 3.348 0 3 FGAF O=C(OCN1C(=O)C[C@@H]1Sc1nc2ccccc2o1)c1ccccc1 26009468 GHHXQWWGVFRGIL-INIZCTEOSA-N 354.387 3.293 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356531554 CQPINXFYOGZFDW-CABCVRRESA-N 371.481 3.481 0 1 FGAF COc1cccc(-c2cccc(CC[C@@]3(C)CC(=O)N(C)C(N)=N3)c2)c1 28827221 VDFBMQAUECXNKR-NRFANRHFSA-N 351.450 3.230 0 1 FGAF C[C@]1(C(=O)Nc2ccccc2Br)CCN1C(=O)CC1CC1 61903331 ATUPBRNPFAQYDS-MRXNPFEDSA-N 351.244 3.179 0 3 FGAF Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1 73314107 FMKKRQJRAVCNSA-UHFFFAOYSA-N 365.275 3.440 0 1 FGAF CCCCn1c(CSc2ncnc3nc[nH]c23)nc2ccccc2c1=O 34030964 VIELATKZAHIKMR-UHFFFAOYSA-N 366.450 3.155 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 40933359 YWTCVXNBNPVPFK-LBPRGKRZSA-N 358.390 3.448 0 1 FGAF CSCCNC(=O)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 84462548 UKJQNVZYVCJTLI-KRWDZBQOSA-N 352.459 3.026 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2N1 587126162 WJUATZKHPIHNFL-JVXZTZIISA-N 365.315 3.432 0 1 FGAF N=c1nc(O)c2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2[nH]1 587127945 DJRGDMWCBGGIIN-UHFFFAOYSA-N 360.349 3.199 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)n(C)c3ccccc13)O2 587391222 QKDHJGCQPZGIOV-INIZCTEOSA-N 350.374 3.474 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccnc1)CC2=O 587488289 IOSITOGFTYIRLN-HXUWFJFHSA-N 355.390 3.164 0 1 FGAF CCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597891 SIKBSNKSPCQASU-JXFKEZNVSA-N 356.374 3.456 0 1 FGAF Cc1nc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2cc1Br 587251207 BYNOLTDRRXWMGC-UHFFFAOYSA-N 359.227 3.427 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(CCNC(C)=O)cc1)[C@@H](C2)C3=O 587428147 HYNKGHZWQIMTNJ-AVRDEDQJSA-N 365.429 3.037 0 1 FGAF COc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587224543 OTTFSELDQWPJKI-UHFFFAOYSA-N 374.828 3.190 0 1 FGAF CC(C)(CO)[C@@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586900684 JHKLOQRVORCQEV-JTQLQIEISA-N 367.165 3.396 0 1 FGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 586937024 OVURFPJSPFUKDN-INIZCTEOSA-N 361.492 3.336 0 1 FGAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587637575 KYRPGRJLTDAFKJ-UHFFFAOYSA-N 355.321 3.418 0 1 FGAF O=[S@@](CCCc1nc2cccnc2[nH]1)c1ccc(Br)cc1 586957654 AJNWSKZMORPCTA-NRFANRHFSA-N 364.268 3.461 0 1 FGAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587938639 XZGRFQQXFASGKK-KPZWWZAWSA-N 353.422 3.110 0 1 FGAF Cc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n[nH]2)cc1 587654259 JPWLMNISOORWKZ-UHFFFAOYSA-N 364.792 3.437 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2n1 587161634 ZFPWEJIUFAOAKT-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587772219 DYPISGPJURZEKZ-FVMDXXJSSA-N 366.234 3.148 0 1 FGAF C[C@]1([C@H]2COCCO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644139 RATLADLQDPEMDQ-YMPZKCBVSA-N 364.489 3.064 0 1 FGAF O=C(O)c1ccnc(-c2cn(CCNCc3ccccc3Cl)cn2)c1 225940640 HXFAEJNSXYWOET-UHFFFAOYSA-N 356.813 3.087 0 1 FGAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1nn(CC(F)(F)F)c3ccccc13)C2 1772653589 YASWGXGKJBTAJN-RYUDHWBXSA-N 367.371 3.381 0 1 FGAF CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(F)cc3)n12 1772601761 WUYMEQRUUQGMFZ-UHFFFAOYSA-N 352.373 3.120 0 1 FGAF COc1ccccc1N1CCN(CC[C@@H]2Cc3ccccc3C2=O)CC1 13471614 DBDYIVMHUJEXJP-GOSISDBHSA-N 350.462 3.263 0 1 FGAF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@@H]2CC[C@@H]1N2C 169340207 WBVZUODNCPVLSS-UDTPNQRGSA-N 353.418 3.021 0 1 FGAF CCCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 209697803 LAXPWGVONMIRGI-KRWDZBQOSA-N 370.449 3.203 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cncnc3)CC2)CC1 1857594889 CNVXBLDKLOAUOE-GOSISDBHSA-N 367.497 3.119 0 1 FGAF COc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1 3815547 DXAXMTYXAGATCT-UHFFFAOYSA-N 366.425 3.203 0 1 FGAF CS(=O)(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 4238157 XNVYTGZYXUZZEN-UHFFFAOYSA-N 356.491 3.215 0 1 FGAF COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2C)o1 100705205 GBNUOKGTBXSFFB-UHFFFAOYSA-N 369.402 3.451 0 1 FGAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2c1 2356315314 NCIKUPPGUYQJFN-YJBOKZPZSA-N 358.392 3.145 0 1 FGAF Cc1cc(C)n2nc(CCc3nc(-c4ccc(F)cc4F)cn3C)nc2n1 113419792 MWJGNONRYRTTEJ-UHFFFAOYSA-N 368.391 3.205 0 1 FGAF O=C(CN1CCCN(C(=O)OCc2ccccc2)C1)OCc1ccccc1 26395907 FSWGAZURNZFWBU-UHFFFAOYSA-N 368.433 3.032 0 1 FGAF O=C(Nc1ccncc1)N1CCN(c2ccccc2C(F)(F)F)CC1 28096413 CMBKMAVBCSSURW-UHFFFAOYSA-N 350.344 3.455 0 1 FGAF CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356637948 LTCIULAHFYIQFG-ZIAGYGMSSA-N 357.454 3.091 0 1 FGAF COc1cccc2c1ncc1c(=O)n(C(C)C)c(=O)n(C3CCCC3)c12 117799574 USNHXPAJBZXQCY-UHFFFAOYSA-N 353.422 3.416 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc(OCCOCCc2ccccc2)cc1 29339678 FKOFOQSLZJGJHP-HXUWFJFHSA-N 373.493 3.062 0 1 FGAF CC(C)N[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@]21CCC(=O)NC1CC1 2356870620 XTEFTOQHXOSCQH-XWDORNJCSA-N 350.547 3.379 0 1 FGAF CC(C)CO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272663 LFHLKJQNWLMRJB-INIZCTEOSA-N 366.849 3.091 0 1 FGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3ccc(OC)cc32)c1 40424062 ANSMNFXVUOLHFQ-SFHVURJKSA-N 353.374 3.081 0 1 FGAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1Cl 40860439 SXFHPCBBZFZERU-KRWDZBQOSA-N 368.820 3.402 0 1 FGAF CC1=C(C(=O)O)[C@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 145348571 PJGMKMWELQALRV-LBPRGKRZSA-N 351.790 3.385 0 1 FGAF COc1cc(CNCc2ccc(-c3cncnc3)cc2)cc(OC)c1OC 473118925 MAQRECHJTQZBHR-UHFFFAOYSA-N 365.433 3.459 0 1 FGAF CC(C)(C)c1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586960490 YJJRJTDGDWHYFB-IBGZPJMESA-N 373.478 3.329 0 1 FGAF COC(=O)c1cccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587437152 DRQHMUQLGWYNMR-ZUOKHONESA-N 363.369 3.452 0 1 FGAF COc1cc2c3c(c1)O[C@](CN)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O 587426930 BBLIPJKYARNYRQ-ODLKPZKQSA-N 353.418 3.004 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)O)cc2[nH]1 586983547 CRAQOUAZRBDSEH-GFCCVEGCSA-N 360.211 3.266 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C)CC3)o1)CC2=O 587475543 PIZAICZQHGTUGW-IBGZPJMESA-N 370.449 3.396 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(F)cc1 587568981 GTEFXAFNDPFZQG-GHTZIAJQSA-N 366.344 3.381 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC(Cl)(Cl)C2(O)O)N1 962953830 WJXKDMYYQHMCLM-ZBEGNZNMSA-N 369.292 3.326 0 1 FGAF Cc1cc(-c2nc3cnc(N(C)C)cc3n2Cc2ccccc2)cn(C)c1=O 1772575476 ZTGGYWRCWRKHEB-UHFFFAOYSA-N 373.460 3.220 0 1 FGAF C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 5127591 PLVFGRLYLUMVCM-FYIGHOIKSA-N 362.473 3.215 0 1 FGAF CN(C)CCCN1C(=O)N[C@H](c2cc(Cl)c(Cl)cc2Cl)C1=O 169317131 LOAAOLYDZAILHQ-GFCCVEGCSA-N 364.660 3.191 0 1 FGAF O=C1CCC/C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C/[C@@H](COc2ccccc2)O1 169366110 ZWESPJLQSOQNEF-ZJABFRSISA-N 372.461 3.022 0 1 FGAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1F 206084542 BCAJPBKAVYTBSA-UHFFFAOYSA-N 353.401 3.260 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2cccc(OC)c2)nc2ccccn12 1857596667 ROPWJHYIYCISQI-UHFFFAOYSA-N 366.421 3.125 0 1 FGAF O=C(O)[C@H]1CSc2c(O)c(Cc3cccc4ccccc34)cc(=O)n21 1857760443 OFSHDEBUWNHPQC-OAHLLOKOSA-N 353.399 3.029 0 1 FGAF N=C(N)c1cccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)c1 58639172 JTEAXLWMBHFLPI-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF in-vitro COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cccc(OC(C)=O)c1 26185981 IZZLFFZMDUTGGB-KCGBVJQISA-N 359.378 3.033 0 1 FGAF Cc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)no3)c3ccccc32)on1 29412025 XPQISQTXNWITMV-UHFFFAOYSA-N 364.361 3.104 0 1 FGAF CN(CCOc1ccc(C[C@@H](F)C(=O)O)cc1)c1nc2ccccc2o1 26182980 LLDPYGFDBRHDKB-OAHLLOKOSA-N 358.369 3.308 0 1 FGAF CCCCC[C@@H](O)C=CC1=C(CC=CCCCC(=O)O)C(=O)O[C@]1(C)O 2356529045 RAQOIYLDXSAKSS-QRWLVFNGSA-N 366.454 3.247 0 1 FGAF CNC(=O)C(=O)NC/C=C\CCCCCCCCCCCCC(=O)O 72110801 LQNRAVUXOIAEMH-OWBHPGMISA-N 354.491 3.171 0 1 FGAF O=C(NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1)C1CC1 72103095 PQSAWUXAQXFNSU-IBGZPJMESA-N 370.884 3.210 0 1 FGAF N=c1ccc(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)c(F)[nH]1 1911581559 JJHBZOHYWZNURJ-HNNXBMFYSA-N 351.429 3.402 0 1 FGAF CN1[C@H]2c3cc4c(cc3C[C@H]3O[C@@H]1c1c(ccc5c1OCO5)[C@@]23C)OCO4 238768504 MARJZNJEWWKEKF-UMSONDCASA-N 365.385 3.042 0 1 FGAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4ccccc43)cc21 143460281 WAYQHDMEJVYNTN-MRXNPFEDSA-N 351.406 3.241 0 1 FGAF CN(CCc1ccccc1)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C1CC1 95601639 QNSAHESAHZEOQN-OAQYLSRUSA-N 366.461 3.349 0 3 FGAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587241440 CHELWTXUIDRRMI-UHFFFAOYSA-N 368.393 3.381 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccco1)([C@@H](O)c1ccco1)[C@@H](C2)C3=O 587455750 QDQAEWXAGOICBZ-MRFFXTKBSA-N 352.342 3.258 0 1 FGAF CCO/C=C(/C(=O)OCC)[C@@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382658 NJJVGXDPXOUVCA-ZVBPTUHVSA-N 369.364 3.030 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1C 587616405 JNFGVMVSHBVAIA-JGRMQFMMSA-N 354.358 3.064 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1S(C)(=O)=O)CC2=O 587489429 UWQNIUMSKLHUJV-KRWDZBQOSA-N 360.431 3.455 0 1 FGAF Nc1ccc(F)c(Cc2nc3ccc(I)cc3[nH]2)c1 587141658 ZCURDCULGVDUCC-UHFFFAOYSA-N 367.165 3.480 0 1 FGAF O=C(O)CC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603841 PUXAPHVGLVQBME-YLJYHZDGSA-N 354.358 3.367 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccncc21 587394415 GSQONZVVUJWZOK-JOCHJYFZSA-N 356.381 3.426 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Cl)cn1)O2 587379211 GLNYMBUOVJZSTQ-SFHVURJKSA-N 360.797 3.351 0 1 FGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=N)N)cc2[nH]1)C(C)(C)C 587204970 MRJFKIFPMXHLQF-CQSZACIVSA-N 359.474 3.329 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC1CCC1 587870109 ZJDMLEYGUABPKJ-UHFFFAOYSA-N 356.373 3.248 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]nc2ncccc12 587596759 RSTXUBVBHVISQT-KXBFYZLASA-N 359.341 3.366 0 1 FGAF CCOC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc1C 587457028 ZBWYVZBMAPGNTF-VLIAUNLRSA-N 356.374 3.436 0 1 FGAF C[C@@]1(C[C@@H]2CCCC(=O)N2)NC2(CC2)Cc2ccc(Br)cc21 961611852 DSNIAPOVRBMMPZ-YOEHRIQHSA-N 363.299 3.401 0 1 FGAF Cc1cc2c(cc1F)[C@](C[C@@H](C)C(=O)O)(c1cccc(CO)c1)NCC2 962294330 BXQLHVRPTWSTAL-SZNDQCEHSA-N 357.425 3.127 0 1 FGAF NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)c1 1772589335 ICUFXLHEFRTNQM-UHFFFAOYSA-N 363.373 3.283 0 1 FGAF COc1ccc(Cc2c([C@@H](OC)c3ccc(OC)cc3)nc(N)n2C)cc1 1772572312 UQAOYAIPBYWBTJ-FQEVSTJZSA-N 367.449 3.346 0 1 FGAF COc1ccc(-n2cc(C(N)=O)c(=O)c3ccc(-c4ccncc4)cc32)cc1 5854252 HBSIJNWTBZUTKM-UHFFFAOYSA-N 371.396 3.160 0 1 FGAF CN1C(NC#N)=NC(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13734196 DCLZTNVOIJVMEC-GDNBJRDFSA-N 354.454 3.227 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCC(=O)O 15060597 ZOCFIYOANZRNDX-YMQSTNHTSA-N 354.487 3.043 0 1 FGAF COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)=O)c1 7992145 VZCQXKQDISUSLN-SESVDKBCSA-N 354.402 3.334 0 1 FGAF NC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 64480303 YTVUIQVYWSEJBQ-UHFFFAOYSA-N 350.399 3.130 0 1 FGAF CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 27099927 MENXCQCGNJVFRP-HXUWFJFHSA-N 353.853 3.472 0 1 FGAF CC(=O)c1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1 27412723 OQLSWOLOIWCOSZ-UHFFFAOYSA-N 354.410 3.301 0 1 FGAF O[C@H]1CCCC[C@H]1N1CCC(C2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 28234885 IJSVCSABISGUBT-YSFYHYPLSA-N 364.574 3.017 0 1 FGAF COc1c(OC[C@@H]2O[C@]2(C)C[C@H](O)C=C(C)C)ccc2ccc(=O)oc12 13481626 NUKZWBOOWJIMRV-PTSWNOGYSA-N 360.406 3.055 0 1 FGAF biogenic Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(CC(C)C)nc1 142633968 ZATRGTBLBNRSEM-UHFFFAOYSA-N 351.454 3.135 0 1 FGAF COc1cc(Nc2ncnc3c2sc2nccnc23)cc(OC)c1OC 95574713 CFOVHFUHDXGATM-UHFFFAOYSA-N 369.406 3.404 0 1 FGAF CCCCN1CC[C@@H](C)Oc2cc(Br)ccc2S1(=O)=O 96019167 OPLOPUWBXNMTOP-LLVKDONJSA-N 362.289 3.411 0 3 FGAF O=C(CN1CCC[C@H]2Cc3cc4c(cc3[C@@H]21)OCO4)Nc1ccccc1 299830106 MPGOCIONUJWYAH-LHSJRXKWSA-N 350.418 3.363 0 1 FGAF Oc1ccc(-c2nc(N3CCN(c4cccc(Cl)c4)CC3)no2)cc1 473151891 SDXZTKXTQIVJSM-UHFFFAOYSA-N 356.813 3.422 0 1 FGAF O=c1c2cc(OCCCN3CCCCCC3)ccc2nc2n1CCCC2 299834887 ZYVJJXKJIKGMMS-UHFFFAOYSA-N 355.482 3.378 0 1 FGAF O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(Cl)c1 653884680 YGTQXIBIWDMVIO-UHFFFAOYSA-N 365.836 3.280 0 1 FGAF Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N(C)C)c23)cc1 653717504 AUYKISDJWBXXAE-UHFFFAOYSA-N 370.428 3.007 0 1 FGAF Cc1ccnc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587509421 CQLJQHJKGHNKMD-OAQYLSRUSA-N 365.433 3.417 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)cc1F)O2 587384898 KOWLIHKQKAEIMI-FQEVSTJZSA-N 369.440 3.175 0 1 FGAF COC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007249 XDXIBHUOYMAASR-UHFFFAOYSA-N 371.194 3.427 0 1 FGAF CC(=O)OC[C@]1(c2ccc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587385794 QLJLXHPNGIERAV-IBGZPJMESA-N 361.344 3.279 0 1 FGAF COC(=O)C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590339 CARUXAMVRFDPIQ-GHTZIAJQSA-N 368.385 3.456 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587039540 GFJAZVRAUNROIL-QWHCGFSZSA-N 363.443 3.269 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586915067 ABYYZGGJRQLDKJ-MPBGBICISA-N 362.389 3.361 0 1 FGAF COC(=O)C12CC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587591820 HQJBUNOLQZMNFY-DETGSUKNSA-N 366.369 3.066 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncnc3[nH]1)N2 587031930 QPPJJJUGAOQCLH-BVBCSLMJSA-N 372.479 3.480 0 1 FGAF COC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591012 FGGUDFDWCODKLH-WAPLAKNRSA-N 368.385 3.456 0 1 FGAF CCOc1n[nH]c(-c2nc3c(F)cnc(Br)c3[nH]2)c1Cl 587064781 FXXZSFOCSWNLGM-UHFFFAOYSA-N 360.574 3.302 0 1 FGAF COc1cccc([C@@]2(CCCCCC(=O)O)c3nn(C)cc3CCN2C)c1 963954292 IRJKDQLQNYFLKK-NRFANRHFSA-N 371.481 3.195 0 1 FGAF CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCN1CCCCCC1 208596739 XYRCQIQOAKOLDE-UHFFFAOYSA-N 358.490 3.077 0 1 FGAF Cc1ccc(-c2csc3nc(-c4ccc(S(N)(=O)=O)cc4)nn23)cc1 1772630949 OEUKZKKQZXONMF-UHFFFAOYSA-N 370.459 3.081 0 1 FGAF COC(=O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(C)cc1)[C@@H]23 1772648797 RLSXENOIVDEFAR-HIUFNZKISA-N 356.510 3.233 0 1 FGAF O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2c(=O)[nH]1 5091805 XAAZSZZOXDGVBL-UHFFFAOYSA-N 369.174 3.459 0 1 FGAF Cc1cc(C)c2nc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)sc2c1 5107035 AKQOFHVWNOUJNX-INIZCTEOSA-N 373.522 3.425 0 3 FGAF CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 13540323 XEYBRNLFEZDVAW-FVVAVFFPSA-N 352.471 3.251 0 1 FGAF in-vitro C[C@H](c1nc2ccccc2s1)n1nc(CC(=O)O)c2ccccc2c1=O 13860811 SKVOATMZMPVYBN-LLVKDONJSA-N 365.414 3.243 0 1 FGAF COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1OC(C)=O 14757316 BJTDZKOECBFYRI-UHFFFAOYSA-N 356.330 3.108 0 1 FGAF biogenic C=C(F)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 206754743 GIMMUVYGPSSJJM-UHFFFAOYSA-N 354.341 3.223 0 1 FGAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(F)c2)cc1 205372586 JEVFSDAVRROLIS-SFHVURJKSA-N 370.380 3.206 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cncnc2Nc2ccc(F)cc2)c1 4257380 HNCUXGQUJOUFQO-UHFFFAOYSA-N 358.398 3.398 0 1 FGAF Cc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66104365 WAECCZAZEUMNGI-OAHLLOKOSA-N 358.401 3.340 0 1 FGAF CCCc1c(OCc2ccccc2-c2nnn[nH]2)ccc(C(C)=O)c1O 27893333 ROHCKWJNZQJQDG-UHFFFAOYSA-N 352.394 3.306 0 1 FGAF CC1(C)C=Cc2cc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)ccc2O1 2356865439 WKXLKFKKGRSLNI-UHFFFAOYSA-N 361.397 3.229 0 1 FGAF CC[C@H](C)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12 73224698 DDQDNVAOXUMCPB-LBPRGKRZSA-N 353.470 3.291 0 1 FGAF O=C(Nc1ccccc1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 40576596 WRHWVWTWWHMUHY-UHFFFAOYSA-N 358.375 3.436 0 1 FGAF C[C@@H]1[C@@H](C)C(=O)c2ccc3c(c2[C@H]1c1cc2c(cc1O)OCO2)OCO3 137470937 IWVMYNUBGFIYHI-VHCOLVSPSA-N 354.358 3.450 0 1 FGAF Cc1ccc(-c2nc3c(NCC4CC4)ncnc3n2C[C@H]2CCCO2)o1 82180819 UMBWPXAWCQXSIF-CQSZACIVSA-N 353.426 3.396 0 1 FGAF CC(=O)Oc1cc(C)ccc1C(=O)Nc1ncc(Br)s1 43129643 BURCGGKAXWPXOX-UHFFFAOYSA-N 355.213 3.392 0 1 FGAF CCSC(SCC)[C@@H]1O[C@H](c2ccccc2)O[C@H](CO)[C@@H]1OC 40380049 NRKSQPAOMKCPIY-QKPAOTATSA-N 358.525 3.309 0 1 FGAF CC(=O)O[C@H]1C[C@@H](C)[C@@H]2COC(C)(C)OC[C@@]3(C)CC(C)(C)[C@H]1[C@]23O 40403647 AZMXAQQEABPMCX-JNJCUVBRSA-N 354.487 3.141 0 1 FGAF C/N=c1\[nH]c2cnc(Nc3cccc(N(C)C)c3)cc2n1Cc1ccco1 82083148 BHXGUMJQUSMPJG-UHFFFAOYSA-N 362.437 3.346 0 1 FGAF Fc1ccc(-n2cc(-c3cnn4ccc([C@@H]5CCCNC5)nc34)cn2)cc1 96937446 FQRJKOPMEKMPIB-CQSZACIVSA-N 362.412 3.188 0 1 FGAF CC1(C)C=Cc2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4O)oc23)O1 238785214 HCSHWQRJVZRCCU-UHFFFAOYSA-N 368.341 3.467 0 1 FGAF CO[C@@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@@]1(O)c1ccccc1 96933101 DRIVJEVMJVKUHC-CTNGQTDRSA-N 353.418 3.104 0 1 FGAF biogenic NC1CCN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)CC1 299837933 PRGLTVDADUGNNR-UHFFFAOYSA-N 351.429 3.309 0 1 FGAF O=C(Cc1c[nH]c2ccccc12)N1CCN(c2noc3ccccc23)CC1 653704601 JVZONUQFLRCSIN-UHFFFAOYSA-N 360.417 3.200 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2O)N1 587773830 KCYCVYHIDSITFV-JDNHERCYSA-N 351.219 3.487 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587441304 DMEUTMKMKQOHCF-LHSJRXKWSA-N 370.401 3.384 0 1 FGAF O=C(COc1ccccc1-c1nc2cncnc2[nH]1)Nc1ccccc1F 587154462 PHWZSGATJLEUHI-UHFFFAOYSA-N 363.352 3.177 0 1 FGAF CC(C)(SCC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 586958502 HQPDHTHKPJXOMG-UHFFFAOYSA-N 364.652 3.427 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554490 IEVZHEBKWRUVHR-DKSSEZFCSA-N 360.337 3.014 0 1 FGAF CCOC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131658 QZDJUJAKVYSRQO-UHFFFAOYSA-N 366.364 3.358 0 1 FGAF O=C(c1cc(-c2cc3c4c(cccc4n2)CC3)c[nH]1)N1CCC[C@@H](CO)C1 587211845 LRUAPDUSGGPYEJ-CQSZACIVSA-N 361.445 3.173 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)cnc3[nH]2)C(F)(F)F)n1 587094893 VRAXGGVPHRFAMT-LBPRGKRZSA-N 362.764 3.369 0 1 FGAF N=c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c[nH]1 587165971 JKFSNKLLTHSQCG-UHFFFAOYSA-N 364.409 3.477 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1N)[C@@H](C2)C3=O 587430755 GRLWQUUGOGVHFZ-MGPUTAFESA-N 361.401 3.260 0 1 FGAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437634 IALHZXRCVXVOOE-ZUOKHONESA-N 363.369 3.452 0 1 FGAF COC(=O)[C@H](C)C[C@H](C(C)=O)[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963119855 ZTOBPZURHLIXIK-UZKHVXGDSA-N 361.457 3.466 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3nccc-3c2)N1 962983037 YOLBOXNSFFCLFQ-IUODEOHRSA-N 363.751 3.134 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@H]([C@H]2COC3(CCCCC3)O2)N1)C(F)(F)F 962767649 PVWOIRSZWHKMDX-ARFHVFGLSA-N 369.383 3.449 0 1 FGAF COc1ccc(C(=O)N(OCc2ccc(Cl)cc2)[C@H](C)C(=O)O)cc1 1772598249 BHTUOMIKMMUBMY-GFCCVEGCSA-N 363.797 3.396 0 1 FGAF O=[S@@](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1 13448821 CWSKSCRJKNSODL-HSZRJFAPSA-N 361.370 3.268 0 1 FGAF O=C(Nc1cccc(I)c1)OCCCc1c[nH]cn1 13747338 SUTJLYGRQMENBM-UHFFFAOYSA-N 371.178 3.196 0 1 FGAF Cc1cc(O)n(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)c1O 169718803 FEJFVDZTEDPOTA-UHFFFAOYSA-N 365.364 3.163 0 1 FGAF O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1cccc(F)c1 2456817 UIULHTJRJMIVNX-SANMLTNESA-N 373.384 3.165 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 3955911 MEDMTISHPJCRKY-NRFANRHFSA-N 353.466 3.420 0 1 FGAF COC(=O)c1ccc(-c2nc(O)c3c(n2)Oc2ccc(F)cc2C3)cc1 6748545 LNUSFDHWHOCEEB-UHFFFAOYSA-N 352.321 3.471 0 1 FGAF O=C(O)C[C@H]1c2ccccc2N=C(N2CCOCC2)N1c1ccccc1 100884561 RTOYJUPHPSWMCQ-SFHVURJKSA-N 351.406 3.042 0 1 FGAF COc1cccc([C@H]2COC[C@@]3(C2)OCCN[C@H]3c2ccc(F)cc2)c1 26568590 NJCMYNXFMAOJRW-JRGCBEDISA-N 357.425 3.438 0 1 FGAF Cn1cc(-c2cnc3c(NC(=O)NCCc4ccccc4)ccnc3c2)cn1 117566235 OKCZVVCPRPBMFA-UHFFFAOYSA-N 372.432 3.395 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H](O)C=C2C1=CC(=O)OC1 118937396 LOUCJBIZSPLEFL-URSGMYQHSA-N 372.505 3.380 0 1 FGAF endogenous,in-man Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1 224549499 APZFPGVWCVGFRP-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF COc1ccc(C2=NO[C@@H](CC(=O)Oc3ccc(NC(C)=O)cc3)C2)cc1 82155632 UCDQGEQVLURHIU-GOSISDBHSA-N 368.389 3.142 0 1 FGAF CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 82173858 YVIVZGDIMSQMOT-UHFFFAOYSA-N 365.437 3.272 0 1 FGAF CCc1nc(C(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cs1 82069754 QOWGHJBKGIDQHR-UHFFFAOYSA-N 369.446 3.159 0 1 FGAF Cc1noc2c1-c1sc(C)c(C)c1C(C1CCOCC1)=N[C@H]2CC(N)=O 96284469 PDVJAZJYCGXARV-ZDUSSCGKSA-N 373.478 3.474 0 1 FGAF O=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@H](O)CO 147643688 DXYMJRXFBLAWFS-LJQANCHMSA-N 353.349 3.216 0 1 FGAF COc1ccc(C2(C(=O)N[C@H](c3cccs3)C3CC(O)C3)CC2)cc1 230580817 LGQDXUOEGTZFTH-RWKZGTHUSA-N 357.475 3.417 0 1 FGAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3cccnc3)c2)CC1=O 95574846 AVQWTIHWFVYYEK-JOCHJYFZSA-N 356.429 3.379 0 1 FGAF CC(=O)N[C@@H](C)CO[C@H]1CC[C@H](Oc2ccc(OC(C)C)nc2)CC1 253995013 CAVRJORLAWGDBN-XIRDDKMYSA-N 350.459 3.100 0 1 FGAF O=C1C(c2ccc3c(c2O)[C@@H](O)c2ccccc2C3=O)=Nc2ccccc21 68601250 PEWGEMKJMVIABW-FQEVSTJZSA-N 355.349 3.335 0 1 FGAF biogenic COc1cc(/C=C/c2ccc(N3CCNC3=O)cc2)cc(OC)c1OC 473097896 DGQCLYJBZHNLFX-SNAWJCMRSA-N 354.406 3.412 0 1 FGAF COc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cn1 587074731 WNKKMKKUQFPDHP-UHFFFAOYSA-N 354.801 3.235 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)n2cncn2)N1 587760787 QQSQIMUDAQQBQH-IQMDTDKHSA-N 353.239 3.190 0 1 FGAF COC(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1OC 587244935 RUHKLAZKPBDKQF-KHPPLWFESA-N 351.362 3.010 0 1 FGAF Oc1nc(O)c2ccc(-c3cc(Br)cc4cc[nH]c34)nc2n1 587366664 OTHYHOJBUZNOLG-UHFFFAOYSA-N 357.167 3.347 0 1 FGAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ncccn1 587623151 MGTKFFCFWYVVKP-UHFFFAOYSA-N 371.198 3.157 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1 587228543 NQCFBUIZRIUMDY-UHFFFAOYSA-N 374.347 3.340 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cccnc3n2)N1 587774701 OBGIJNPAPMQBLC-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF CCNC(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587230115 HVFFPWSVFAHLOF-UHFFFAOYSA-N 368.275 3.429 0 1 FGAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(C(=O)O)c3[nH]2)C(F)(F)C1 587131712 BQDZMDACAVDELK-SNVBAGLBSA-N 367.352 3.231 0 1 FGAF CC(=O)N[C@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1 586985292 MRNIPJPQNGAIOC-OAHLLOKOSA-N 374.238 3.451 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776192 BRQNPDSZPDCIFD-QFYYESIMSA-N 350.235 3.484 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1nccc(C)n1)CC2=O 587469022 GDFQZGBTOWORSX-FQEVSTJZSA-N 369.421 3.196 0 1 FGAF COc1cc2c(cc1OC)[C@@H](c1ccn(CC(F)(F)F)n1)N(C)[C@H](C)C2 962622819 CLKMGGZASKNBGS-DIFFPNOSSA-N 369.387 3.428 0 1 FGAF CCN(C)C[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183400 IYBDCXVHIOFNHM-XHDPSFHLSA-N 364.795 3.125 0 1 FGAF COC(=O)c1ccc2c(c1)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772621106 QEUWJQXZXZICOI-HNNXBMFYSA-N 366.461 3.229 0 1 FGAF Cc1cc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1 1772652388 MWECZQIFJLXLKI-KRWDZBQOSA-N 372.432 3.001 0 1 FGAF Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 1857559807 MSLABHAXZFFQGF-ZDUSSCGKSA-N 363.446 3.252 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccncc4)C[C@H]3F)[nH]c2cc1C 2356299930 QQIQHEAEIQAZFZ-VQIMIIECSA-N 354.429 3.314 0 1 FGAF Cc1cccnc1CN1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356302334 RYDBDOTWZRNPIK-KBXCAEBGSA-N 358.392 3.145 0 1 FGAF Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)NCCN(C)C)(C4)C2)C3)cc1 100500347 SBUSMVQQRPYJAD-HTAFUYNTSA-N 355.526 3.446 0 1 FGAF O=C1CC(=O)N([C@H]2C[C@H]3CC[C@@H]2C3)C(=O)N1CCc1cccc(Cl)c1 101678201 DCCFYCBYFZNPGZ-LZWOXQAQSA-N 360.841 3.252 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2cc1C 2356322752 AOOXTWWNRCUSQZ-XJKSGUPXSA-N 360.458 3.375 0 1 FGAF COc1nn(-c2ccccc2)c2nc(Nc3ccc(C(=O)O)cc3)ncc12 29042602 IPFUBIOOTDDKBB-UHFFFAOYSA-N 361.361 3.266 0 1 FGAF CC(C)N1C(=O)N[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 39290297 MTJQQOLDWSYDTO-SFHVURJKSA-N 354.362 3.171 0 1 FGAF COc1ccccc1NC(=O)C[C@@]1(C)N=C(c2ccccc2C)N(C)O1 74374584 QGZKRJRANOICKH-FQEVSTJZSA-N 353.422 3.372 0 3 FGAF CCOc1c(N2CC[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 40466113 ODBJCGLYBOPJQL-LLVKDONJSA-N 374.412 3.419 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ncncc2c1=O 49069652 ZZGUJHFBBMPAKM-UHFFFAOYSA-N 357.369 3.205 0 1 FGAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccco4)C3=C2)cn1 149042666 VZYVQEMZRNNEBB-UHFFFAOYSA-N 372.428 3.392 0 1 FGAF O=C(O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2Cc1ccncc1 95581127 VEJQOFSGZVTJOD-UHFFFAOYSA-N 365.780 3.288 0 1 FGAF COc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1 299838349 USSSFPSRMBXXFL-UHFFFAOYSA-N 360.461 3.416 0 1 FGAF Cc1cc(Cl)ccc1OCc1nn2c(=O)c(C(C)(C)C)nnc2s1 299829905 MUAZEADEPQEYFN-UHFFFAOYSA-N 364.858 3.384 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1 586984737 IJPKWUHOEYVZBA-AWEZNQCLSA-N 359.227 3.140 0 1 FGAF COC(=O)c1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615770 HEZAHEPVGUIYCS-DNVCBOLYSA-N 366.325 3.475 0 1 FGAF COc1cc(Br)cnc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587372170 OEJPYXUHSPIOBV-CQSZACIVSA-N 363.211 3.450 0 1 FGAF COc1ccccc1CC(=O)c1nc2c(O)c(Br)ccc2[nH]1 587930752 PLAAPFWLZDZBCF-UHFFFAOYSA-N 361.195 3.465 0 1 FGAF COc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587776614 YHIGCNJFXXRCMX-XLKFXECMSA-N 352.207 3.010 0 1 FGAF CN(C)CCOc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587163134 MXEWHBCWRCIEOF-UHFFFAOYSA-N 370.428 3.214 0 1 FGAF COC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1OC 587071248 XZSBPYUCDZSVDM-LBPRGKRZSA-N 373.840 3.297 0 1 FGAF Cc1scnc1[C@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628987 GKLHUOXIWODWHQ-YPMHNXCESA-N 358.341 3.038 0 1 FGAF COc1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c(OC)c(OC)n1 963108232 OKWHCHMWJORBLN-ACJLOTCBSA-N 358.413 3.356 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(SC)cc2)NCCc2c(C(=O)O)cccc21 963120421 HOHMHFPLVBFTCA-FQEVSTJZSA-N 371.458 3.059 0 1 FGAF COc1ccc(/C=C2\C(=O)OCc3cc(OC)c(OC)cc32)cc1OC 980067 IAGJOHWEBPMATR-CHHVJCJISA-N 356.374 3.318 0 3 FGAF N[C@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 14958732 VMMSXEPJIRGODV-KDOFPFPSSA-N 370.378 3.492 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 15111006 XEYBRNLFEZDVAW-UWFJTOKYSA-N 352.471 3.251 0 1 FGAF CC(C)(C)OC(=O)CNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164817841 HNEKQLOTKWSBAQ-UHFFFAOYSA-N 369.396 3.441 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2cn3cccc(C)c3n2)cc(-n2nc(C)nc2C)n1 209349885 YJTUVLWPOXKJJH-HZPDHXFCSA-N 359.437 3.210 0 1 FGAF C/C(=C\CCC1=C[C@H](c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO 1857573092 ARTPIECVCQOZJT-YOBGLANUSA-N 374.433 3.040 0 1 FGAF Cn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21 4238580 IFWSEWMFXFGVRH-UHFFFAOYSA-N 372.428 3.088 0 1 FGAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OC)cc3OC)c12 8603668 OGMLUQDUZPLZPT-UHFFFAOYSA-N 357.366 3.469 0 1 FGAF CC[C@]12CCN[C@@H]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 2356313816 CRQDDRSQYNCCIV-FPGYGQHYSA-N 370.493 3.336 0 1 FGAF O=C1c2ccccc2[C@@](O)(c2ccc3[nH]cnc3c2)N1Cc1ccccc1 116256160 QHAZYBSNQRTYDK-QFIPXVFZSA-N 355.397 3.412 0 1 FGAF C[C@@H]1[C@H](O[C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)OC(=O)[C@@H]2[C@H](C)CC[C@H]12 2356698695 KLFPATKRXRCHCY-ARNKLWIFSA-N 350.455 3.366 0 1 FGAF CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1c(O)cccc14)[C@H]32 2356786709 SMRLIFHXJVRKLX-HKBOAZHASA-N 354.450 3.151 0 1 FGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ncc2c(n1)NC(=O)C21CCCC1 72177597 YNPIYVILSOBZHO-UHFFFAOYSA-N 362.433 3.108 0 1 FGAF CN1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95877042 DFXXWLCMZUFDSQ-BHDDXSALSA-N 354.469 3.347 0 1 FGAF CC1=NN2C(=O)COc3c(Br)cc(Br)cc3[C@@H]2C1 95585668 BKYXVTKXQPXFKE-JTQLQIEISA-N 374.032 3.253 0 1 FGAF O=C(/C=C/c1cccn(CCCc2ccc(C(F)(F)F)cc2)c1=O)NO 144015151 WDWIIMRJBGAFIN-JXMROGBWSA-N 366.339 3.019 0 1 FGAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(C)cc2)C(=O)O)cc1OC 95586179 DQPNQNUKYGPKFO-SINXNMPMSA-N 370.401 3.265 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)[C@H]3C2=O)cc1 25410507 PJCGAXQBEAVSAY-QZTJIDSGSA-N 369.465 3.026 0 1 FGAF biogenic Cn1ncnc1CN[C@H]1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)C1 618012698 XTGBCDKJZPCLGY-SFHVURJKSA-N 372.476 3.332 0 1 FGAF O=C(CCN1CCN(C(=S)NC2CCCCC2)CC1)c1ccccc1 473135494 ISYPTDIMBPOHHJ-UHFFFAOYSA-N 359.539 3.084 0 1 FGAF Nc1ccnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587017395 KVMASWPIPKEALR-UHFFFAOYSA-N 359.418 3.377 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccccc1 587604334 STLHKQMTYRCALX-UTKZUKDTSA-N 362.337 3.334 0 1 FGAF COc1ccc(/C(=C\N(C)C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430925 WRIMLIVKMLJGHE-DIHKKRFMSA-N 365.429 3.423 0 1 FGAF COC(=O)Cn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391204 QFKDMEQOSUWBGO-IBGZPJMESA-N 364.401 3.411 0 1 FGAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587933066 TUMFUGUNYCBQLQ-IFXJQAMLSA-N 356.447 3.420 0 1 FGAF CC(C)(CO)[C@@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586902114 YPHGNEZUUDSKME-JTQLQIEISA-N 367.165 3.396 0 1 FGAF FC(F)(F)c1cc(Br)cc2nc(C[C@@H]3COCCO3)[nH]c12 586909118 FHFVREHRDNXOGF-MRVPVSSYSA-N 365.149 3.302 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]cncc2-3)N1 587802191 KUBXKUNOZPUZRG-ANRSDYALSA-N 361.218 3.435 0 1 FGAF CCOc1ccccc1OCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587780815 JFXAOLDYYHIZJX-UHFFFAOYSA-N 366.465 3.292 0 1 FGAF CC1(C)COC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357370 NHSCUOATAJPPLW-UZLBHIALSA-N 356.349 3.212 0 1 FGAF COC(OC)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961257 UCBIAITUDSFFFH-MRXNPFEDSA-N 359.388 3.191 0 1 FGAF Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(-c2cnn(C)c2)c1 962898013 OGFAMHPTNIGASQ-VQTJNVASSA-N 365.408 3.223 0 1 FGAF COc1ccc(-c2cnnc(N[C@@H]3CCN(Cc4ccccc4)C3)n2)cc1 12459461 QQOZSZRNUCQULC-GOSISDBHSA-N 361.449 3.234 0 1 FGAF CC(C)NC[C@H](O)COc1ccc([S@@](=O)c2ccc(Cl)cc2)cc1 169318957 SHRNAQHJYLQJNR-OWJWWREXSA-N 367.898 3.244 0 1 FGAF CCn1c(C)nnc1[C@H](CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1 202523228 KIFRDJSFQSEGDP-HNNXBMFYSA-N 368.890 3.080 0 1 FGAF CN(C)C(=O)c1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 1857593806 SXXOZCGZKPZIDG-UHFFFAOYSA-N 372.428 3.257 0 1 FGAF Nc1ccc2oc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2c1 1857607817 BDZFLCRXNSMYNA-UHFFFAOYSA-N 356.813 3.026 0 1 FGAF Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H]([18F])C2)cc1 101509593 RECBFDWSXWAXHY-TVEAWZLSSA-N 357.420 3.194 0 1 FGAF O=P(O)(O)O[C@@H]1C=C(c2ccccc2F)Nc2cc3c(cc21)OCO3 101330032 SPZGQUBPDNGBCS-CQSZACIVSA-N 365.253 3.171 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)sc12 64560636 KAMUHXLQJMLNMI-ZDUSSCGKSA-N 370.453 3.365 0 1 FGAF CCC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2[C@@H]1O 2356531816 MZQAWNWYBXNFSG-UGRBRPBCSA-N 362.466 3.313 0 1 FGAF CC(C)=CCCC(C)=CCOc1ccc(C[C@H]2NC(=O)[C@H](C)NC2=O)cc1 2356609336 WNQHFIWBXDAPMW-FXAWDEMLSA-N 370.493 3.304 0 1 FGAF CCSc1nc(N2CCOCC2)c2cnn(/C=C\c3ccccc3)c2n1 28569952 DRRMKBHBVOSOKW-HJWRWDBZSA-N 367.478 3.403 0 1 FGAF CNCc1cc(-c2cccnc2Cl)n(S(=O)(=O)c2ccccc2)c1 116577311 JIUGPSBTIHYQHK-UHFFFAOYSA-N 361.854 3.160 0 1 FGAF CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1 72125766 MTGNCHHZOJAEKO-HXUWFJFHSA-N 352.482 3.020 0 1 FGAF CC(C)c1cccc(-c2nc3c(NCCN4CCOCC4)nccc3[nH]2)c1 74386632 CGTQEFMIFNHYHL-UHFFFAOYSA-N 365.481 3.492 0 1 FGAF CN1CCC=C([C@H]2CN(C(=O)c3cc(Cl)ccc3Cl)CCO2)C1 49072580 DWINDGSUAHBRPZ-MRXNPFEDSA-N 355.265 3.096 0 1 FGAF O=c1c(Cl)c(CSC(=S)N2CCOCC2)oc2ccccc12 42963671 HNGLMJUJXUFAOB-UHFFFAOYSA-N 355.868 3.297 0 1 FGAF COc1cc(-c2cnc(N)nc2-c2ccccc2O)cc(OC)c1OC 40834159 YLDGLJOEQBZYHW-UHFFFAOYSA-N 353.378 3.124 0 1 FGAF O=C([C@@H]1CCCN1C(=O)CCCC1Cc2ccccc2C1)N1CCCC1 49055399 DQLGRAOUAKBUAM-FQEVSTJZSA-N 354.494 3.185 0 1 FGAF CC(=O)N1CCC(Nc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)CC1 220840888 WPELNOVHWVPTHA-UHFFFAOYSA-N 369.256 3.278 0 1 FGAF CN(C)C(=O)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144793276 RAJSEQCWCGECIR-SFHVURJKSA-N 365.351 3.322 0 1 FGAF O=C(Nc1ccccc1F)C1CCN(c2ccnc3nsnc23)CC1 299820540 HOKZSPWVJHHKBY-UHFFFAOYSA-N 357.414 3.081 0 1 FGAF CC(C)NC(=O)[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870093 MIXZPWBCEXVAQM-OWCLAAJJSA-N 357.494 3.360 0 1 FGAF in-vivo CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(O)c(N)c1 587870856 UKWMELFZEHINLZ-UHFFFAOYSA-N 355.369 3.259 0 1 FGAF Brc1ccc([C@H](c2nc3cnncc3[nH]2)N2CCCC2)cc1 586983902 AMKDZMXFTCWHLT-OAHLLOKOSA-N 358.243 3.301 0 1 FGAF Oc1ccc(Nc2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 587242416 LDKWNIHFMVEBFD-UHFFFAOYSA-N 351.391 3.463 0 1 FGAF CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)CC(=O)c2cc(C)cc(N)c2O1 587410138 VMLRLDNGZPJUAK-NRFANRHFSA-N 365.385 3.361 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568639 IAFYVHQIYQNVGV-YJBOKZPZSA-N 354.337 3.276 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(CN4CCOCC4)c1)[C@@H](C2)C3=O 587443175 LHEYYXQMOHBFKF-AVRDEDQJSA-N 365.429 3.016 0 1 FGAF NC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580543 SBKHAYKKYYLMMC-YLJYHZDGSA-N 361.353 3.194 0 1 FGAF CCOC(=O)[C@H]1CN(CC)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518042 ZBVRVOGKBCCZFS-XMSQKQJNSA-N 371.477 3.174 0 1 FGAF O=S(=O)(Cc1nc2ccc(F)c(Br)c2[nH]1)C1CCCC1 586924491 QQLSUHZFMRACDU-UHFFFAOYSA-N 361.236 3.322 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(OC[C@@H]4CCCCO4)c(F)c3)nc2n1 587368214 JYVXIDLOUJRFQU-LBPRGKRZSA-N 371.368 3.190 0 1 FGAF O=C(O)Cc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 587962666 VJJFJLMCTWLCKV-UHFFFAOYSA-N 364.174 3.077 0 1 FGAF C[C@H]1CN(c2ccc(-n3cnc4c(Cl)cccc4c3=O)cn2)C[C@@H](C)O1 1772579382 PTMJITWRHVOPEJ-BETUJISGSA-N 370.840 3.048 0 1 FGAF COc1cc([C@H](OC(=O)c2ccc3c(c2)OCO3)[C@H](C)[C@H](C)O)ccc1O 206341289 UZPAQQKUESDTHD-UYSIFFEZSA-N 374.389 3.045 0 1 FGAF Cc1cnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c(Cl)c1 1857618905 LGZCFWRYQPFGOW-UHFFFAOYSA-N 361.902 3.394 0 1 FGAF CCOC(=O)C1CCC(CNC(=O)c2cc(O)nc3ccccc23)CC1 1857773565 LARPVFNUJSZSNA-UHFFFAOYSA-N 356.422 3.040 0 1 FGAF CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1C 58511306 HKWFGRSZAYZTSU-UHFFFAOYSA-N 367.493 3.492 0 1 FGAF Nc1nc(N)c2cc(CN3c4ccccc4C=C[C@H]4C=CC=C[C@@H]43)cnc2n1 58655505 GLHUKNIVNLLYHN-QAPCUYQASA-N 368.444 3.333 0 1 FGAF O=C(NC[C@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCOCC1 504293561 KGFQTAPPTJLANN-UYAOXDASSA-N 356.510 3.116 0 1 FGAF biogenic Cc1csc(Nc2ncnc3ccc(Sc4nncn4C)cc23)n1 38208654 DPRXXHHICPMXGX-UHFFFAOYSA-N 355.452 3.418 0 1 FGAF Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 38149990 SVRKQKCVWJASKF-UHFFFAOYSA-N 359.857 3.100 0 1 FGAF COc1ccc(-c2cc3n(n2)CCN(Cc2ccc(Cl)nc2)C3=O)cc1 45495155 VGVPMZNTYVNBRZ-UHFFFAOYSA-N 368.824 3.263 0 1 FGAF COc1ccc(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 49045305 FTTHKELRMOFODV-QMMMGPOBSA-N 369.347 3.084 0 1 FGAF O=S(=O)(NCCCCO)c1ccc(-c2ccccc2)c(C(F)(F)F)c1 40575537 YVLJXKJKVVFYBJ-UHFFFAOYSA-N 373.396 3.423 0 1 FGAF COc1cc(CC[C@H]2C[C@@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 96908757 JVJOETZYMWSWLO-GJYPPUQNSA-N 374.433 3.329 0 1 FGAF COc1cnc(/C=C/c2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O 95558624 PVVJMBBQASQRAX-QPJJXVBHSA-N 364.380 3.076 0 1 FGAF CCCCNc1cccc2c1S(=O)(=O)N[C@H](Cc1ccccc1)CO2 96021159 WOLAOJYIUDYCPJ-MRXNPFEDSA-N 360.479 3.181 0 3 FGAF CC[C@H]1CC=CCc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 299814188 GQHJEOPNYJIXRG-RIFZZMRRSA-N 358.434 3.099 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Br)ccnc2[nH]1 587040820 CIAWGAFXXLJGKD-SECBINFHSA-N 369.288 3.341 0 1 FGAF O=C1c2ccccc2-c2cc(-c3ccc4nnnn4c3)nc3ccc(O)c1c23 586989478 KMHCJNDSFDBGBG-UHFFFAOYSA-N 365.352 3.257 0 1 FGAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(OC)c1)(C(=O)O)CC2=O 587483109 VDWVOVHUUJARBU-NRFANRHFSA-N 370.401 3.385 0 1 FGAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccccc2F)c1O 587941451 OUUKHYWCHQSRDR-UHFFFAOYSA-N 365.158 3.145 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Cl)nc3F)nc-2[nH]1 587177561 MZHXIQBZWZQWEM-UHFFFAOYSA-N 370.775 3.477 0 1 FGAF CCc1cc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Cl 587052852 PVDYBEHFPLDGJU-UHFFFAOYSA-N 354.801 3.333 0 1 FGAF Cc1ccc2c(ccc3[nH]c(-c4cc(S(=O)(=O)NC(C)C)c[nH]4)nc32)n1 586937272 XPEZUWJWXMLGCH-UHFFFAOYSA-N 369.450 3.101 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Cc1ccccc12 587816975 GSWYJYDNBDRPPB-MGNBDDOMSA-N 360.226 3.491 0 1 FGAF Oc1nc(O)c2ccc(Cc3ccc(Cl)cc3Br)nc2n1 587366855 RASWXMJIUCXMBT-UHFFFAOYSA-N 366.602 3.443 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCC(N)=O)CC2=O 587470021 KQPNNWPDBXYIQG-LJQANCHMSA-N 369.417 3.305 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c(C)c(C(=O)O)c41)[C@@H](C2)C3=O 587438638 PKMYMFONLQNRQB-FKIZINRSSA-N 353.374 3.009 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Br)ccc21 587372338 PJFYOMWYBCASQB-KRWDZBQOSA-N 373.206 3.153 0 1 FGAF O=C(O)c1cc(F)cc2nc(-c3cc(Br)cnc3F)[nH]c12 587178174 TWIBAHWRPANMQY-UHFFFAOYSA-N 354.110 3.364 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587438324 NOECKOXWAKVLLY-ORAYPTAESA-N 351.358 3.379 0 1 FGAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ncccc13)C2 1772586806 JBPUVRBBRHXTJH-KBPBESRZSA-N 362.424 3.047 0 1 FGAF COc1ccc(C2=NN(C3CCOCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13474119 LDQZVKGBHAZGGR-DLBZAZTESA-N 370.449 3.012 0 1 FGAF CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 13660777 VOWCKQTZGNDHEC-NSISKUIASA-N 360.461 3.091 0 1 FGAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@@H]12 169351328 SEVLWERLWNROPL-MOPGFXCFSA-N 369.534 3.206 0 1 FGAF COC(=O)C1=C(C)N=C(C)[C@H](C(C)=O)[C@H]1c1cccc(-n2ccnc2)c1 169714474 UJAHDTMHZHCWSM-IEBWSBKVSA-N 351.406 3.083 0 1 FGAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)C1=O 169720225 JVOIFHQOWOVREC-FKIZINRSSA-N 353.443 3.232 0 1 FGAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)[C@H]1c1ccccc1 1857553521 IANZELXFPRVKKY-HXUWFJFHSA-N 362.429 3.102 0 1 FGAF O=C1CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@H]2C=C[C@@H](COc2ccccc2)O1 253695895 ZWESPJLQSOQNEF-HGJUEJDCSA-N 372.461 3.022 0 1 FGAF O=C(O)CCNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1 1484517 HEEGTQHWZIKDSO-UHFFFAOYSA-N 366.508 3.100 0 1 FGAF C[C@H]1CCC[C@@H](NC(=S)NC(=O)c2cncc(Br)c2)[C@@H]1C 4802523 YHAHWDDJQFCNFB-OPQQBVKSSA-N 370.316 3.273 0 1 FGAF O=C1c2ccoc2CC[C@H]1CCN1CCN(C(=O)c2ccc(F)cc2)CC1 28701613 HLANNHHKCDMRJS-HNNXBMFYSA-N 370.424 3.012 0 1 FGAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1N 26727353 QLBDCFRONCLXTR-INIZCTEOSA-N 353.466 3.101 0 1 FGAF O[C@]1(c2ccc(CN3CCCCC3)cc2)c2ccccc2C2=NCCCN21 27331328 BFZRCVYZMCLKLC-HSZRJFAPSA-N 361.489 3.332 0 1 FGAF O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@H]1c1ccccc1 39228938 WBNCOWROIWIPRI-HKUYNNGSSA-N 351.450 3.332 0 1 FGAF COC(=O)[C@@H]1CC(=O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 31161099 FNVSXZHYPJQAOP-KQYRDANPSA-N 374.433 3.459 0 1 FGAF CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](C)C(=O)OC)ncc21 49069422 VTCJGBPLVMTLTD-ZDUSSCGKSA-N 353.422 3.281 0 1 FGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)Oc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253641664 RLATZNIHDCUZGM-LEAZDLGRSA-N 365.429 3.300 0 1 FGAF COc1ccc(OC)c(Sc2ccn3ncc(-c4cnn(C)c4)c3n2)c1 299826437 DBFXDNNNPXFRPX-UHFFFAOYSA-N 367.434 3.298 0 1 FGAF c1ccc(-c2ccc(-c3nnnn3CCCCN3CCOCC3)cc2)cc1 299833018 NAKCOUTVQKYQPO-UHFFFAOYSA-N 363.465 3.120 0 1 FGAF Cc1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 587942230 UJUKPAAVYKCLEP-UHFFFAOYSA-N 361.195 3.315 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N1CCOCC1)CC2=O 587473969 DHKLLFGFJTUCAT-LJQANCHMSA-N 368.433 3.283 0 1 FGAF CCOC(=O)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595578 KZIJHMIYQUYGCT-PJUBBZNESA-N 368.385 3.456 0 1 FGAF N=c1[nH]c2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc-2c(Cl)[nH]1 587133744 BDFFVJPULDOHHO-UPHRSURJSA-N 361.661 3.236 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccco1)([C@H](O)c1ccco1)[C@@H](C2)C3=O 587455747 QDQAEWXAGOICBZ-CJMONDIMSA-N 352.342 3.258 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H]1CCCO1)CC2=O 587486337 KMFDAUUUSLYSBG-PXNSSMCTSA-N 362.422 3.181 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)NC)CC2=O 587468230 CNSBLZUPRSVPLS-IBGZPJMESA-N 369.417 3.176 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c4c(ccc3[nH]2)CCCC4)c1 586935436 GXFNFVQEBVLSDT-UHFFFAOYSA-N 358.467 3.124 0 1 FGAF Cn1ccnc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576181 IAXUFFQAHDYKRS-LAUBAEHRSA-N 362.385 3.393 0 1 FGAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cnn1C 587638385 KKGQZBXKJSXPEC-UHFFFAOYSA-N 351.284 3.158 0 1 FGAF COc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441619 HWIQNQIHCDHTLH-IERDGZPVSA-N 368.385 3.212 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587800203 VVNUIFWMLFIXAS-ROVZQNDUSA-N 356.235 3.363 0 1 FGAF N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 586996311 DTLOSSBJUUSSPJ-SNVBAGLBSA-N 372.226 3.150 0 1 FGAF Nc1cnc(-c2nc3cc(Br)c(Br)cc3[nH]2)nc1 587252861 QIXBHYXTHZFSDV-UHFFFAOYSA-N 369.020 3.127 0 1 FGAF CC1=C[C@@]2(C=C(C(=O)O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587830875 GKGZCJJWVBQFQV-BCTVWOGZSA-N 368.202 3.220 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cncc(Cl)c2[nH]1 587193920 INEDRLVXYWMZRZ-LLVKDONJSA-N 353.854 3.129 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(C)nc1N(C)C)[C@@H](C2)C3=O 587418763 CLSYFKIHPWDBDO-MEDUHNTESA-N 359.813 3.002 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@](COCC(F)F)(c3ccccc3)c3cccc1c32 963020284 FFFGGGMYWYWXFW-SPLOXXLWSA-N 372.415 3.265 0 1 FGAF COc1ccc2c([C@@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)c[nH]c2c1 962919543 BFQCPGCNDNNTAU-QFIPXVFZSA-N 363.461 3.288 0 1 FGAF O=C(O)c1ccnc(-n2nccc2OCc2cccc(Br)c2)c1 146951998 UMHHZTUSDDYOHB-UHFFFAOYSA-N 374.194 3.307 0 1 FGAF Cc1cccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)c1 225934060 AAUAYDZBVVCZBG-UHFFFAOYSA-N 350.422 3.084 0 1 FGAF c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc3c(c2)OCCO3)nc1 11874688 PPMYTPDSHCAKDO-KRWDZBQOSA-N 362.433 3.206 0 1 FGAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@@H]1C(C)(C)C(=O)CC[C@]21C 13337285 WDAMTPQABGTUDL-ASSNKEHSSA-N 358.434 3.323 0 1 FGAF biogenic O=C(OC1CCN(CCCF)CC1)C(O)(c1ccccc1)c1ccccc1 13835327 RHUKFVDTRQCUIC-UHFFFAOYSA-N 371.452 3.290 0 1 FGAF CO[C@H](c1ccccc1)[C@H](O)[C@](O)(c1ccccc1)P(=O)(OC)OC 1656849 UDUCETYLSJAFTA-SQNIBIBYSA-N 366.350 3.066 0 1 FGAF O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ncccn1 3322482 WDJFVXRMFCXSPY-UHFFFAOYSA-N 361.477 3.184 0 3 FGAF Cc1nc2cnc(Nc3ccccc3)nc2n(CCc2ccccc2)c1=O 4238905 NHAWNAWNFAXKLW-UHFFFAOYSA-N 357.417 3.481 0 1 FGAF Cc1nccc2c1[nH]c1cc([C@]34CC[C@@](C(=O)O)(OC3=O)C4(C)C)ccc12 101551161 GOEJYGFKWDCKIU-RTWAWAEBSA-N 364.401 3.463 0 1 FGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)Nc2ccccc2)CC1 2356298697 UUYKOQOYMAXIMZ-ZVDOUQERSA-N 370.541 3.250 0 1 FGAF NC(=O)c1cn(-c2ccc(O)cc2)c2cc(-c3ccccc3)ccc2c1=O 27309703 MKGRVGUEAGHYFP-UHFFFAOYSA-N 356.381 3.462 0 1 FGAF CC(=O)Oc1c(C)c(C)c2c(c1C)[C@H](CN1CCN(C)CC1)C(C)(C)O2 22443088 NIPUKGKIIPTVHI-KRWDZBQOSA-N 360.498 3.039 0 1 FGAF COc1ccc([C@@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@@H](OC)[C@H]2O)cc1 2356654467 XMSAJBBKVHIWMR-FFZOFVMBSA-N 360.406 3.208 0 1 FGAF CCc1ccc(NS(=O)(=O)c2ccc3c(c2)S[C@@H](C)C(=O)N3)cc1 34145544 UPDIUOTZAIMKEP-NSHDSACASA-N 362.476 3.483 0 1 FGAF COC(=O)[C@@]12C[C@H](C)[C@@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 195427277 CTAGORHSTSPKPD-JKJBYREKSA-N 367.367 3.433 0 1 FGAF CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 82177674 WONUZLLVNADWNU-UHFFFAOYSA-N 365.437 3.272 0 1 FGAF COC(=O)/C1=C\CCC2=C[C@@H](C/C(C)=C/C=C(/C(C)C)C[C@@H]1O)OC2=O 140577975 YQXSXPBPDWRFHK-LXIPXPQRSA-N 360.450 3.401 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)ncc-3c2c1 299872717 RAISMWIMTRYFHV-CKEIUWERSA-N 366.465 3.491 0 1 FGAF CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12 653786054 FBKQUMOBOXTGGV-UHFFFAOYSA-N 373.460 3.208 0 1 FGAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cccc(OC)c23)cn1 653790389 FBJSSSHTWNTDNC-UHFFFAOYSA-N 367.405 3.456 0 1 FGAF COc1ccc2c(OCCn3c(=O)oc4cc(F)ccc43)ccnc2c1 653737730 JJBKDIGIDGYDBA-UHFFFAOYSA-N 354.337 3.369 0 1 FGAF C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 653784917 SBXPUBIKBOERFX-NSHDSACASA-N 361.380 3.390 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccn(C)c1=O 587866483 LHBUSBMRCVBLIO-UHFFFAOYSA-N 364.327 3.051 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cncc(C)c4[nH]3)cc12 587036910 BHBMMQWBTOWCHK-SNVBAGLBSA-N 354.439 3.014 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)OC(C)C 587867468 FKRZGTZCQNJFIJ-JTQLQIEISA-N 357.332 3.426 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(F)c2[nH]1 587194322 PWDMEAQJAUIBSE-LBPRGKRZSA-N 354.401 3.359 0 1 FGAF CCCOc1cc2nc([C@@H](N)CCC(=O)OC)[nH]c2cc1Br 587259080 WUZUQNWOGZWJIB-JTQLQIEISA-N 370.247 3.067 0 1 FGAF COc1cc(C)ccc1OCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587564236 GUVLEQORSLVCJD-UHFFFAOYSA-N 366.465 3.211 0 1 FGAF NC(=O)c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914442 KKMVLCXQZNQJDW-UHFFFAOYSA-N 373.368 3.430 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174911 NVKKIAIDHIWLMF-UHFFFAOYSA-N 372.425 3.024 0 1 FGAF COc1ccc(CNC2=N/C(=C\c3ccccc3Cl)C(=O)N2C)cc1 6020096 TUSRCWWXNUNUGZ-BOPFTXTBSA-N 355.825 3.307 0 1 FGAF COC(=O)CCCCN1C(=O)CN=C(c2ccccc2)c2ccccc21 1772634549 ILHHOPQVIJIDNB-UHFFFAOYSA-N 350.418 3.214 0 1 FGAF O=C(O)c1ccc(C(=O)c2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13490532 BFGYSIVMWNGAOM-UHFFFAOYSA-N 374.348 3.162 0 1 FGAF COc1cccc(Cn2cc(COC(=O)Nc3ccc(F)cc3)nn2)c1 203462503 PSOGPHGZSWBOIT-UHFFFAOYSA-N 356.357 3.223 0 3 FGAF COc1cc2ncc(-c3ccc(O)cc3)n2cc1S(=O)(=O)C(C)(C)C 1857634679 YNHYIKTXFQHPKP-UHFFFAOYSA-N 360.435 3.288 0 1 FGAF CC(=O)N1c2ccccc2N(Cc2ccccc2OCCO)C[C@@H]1C1CC1 1857753650 LHEXAPUIXFYBDW-OAQYLSRUSA-N 366.461 3.209 0 1 FGAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C/[C@H](O)[C@@H](O)CCCC(=O)O 14781405 IXAQOQZEOGMIQS-COBRGRBVSA-N 352.471 3.129 0 1 FGAF in-vitro CC1=C[C@@H]2C[C@]3(C)O[C@H]4C[C@H]3[C@](O)(C4)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@H]1C 2356328006 MWUDXCKYFLGDEF-IATJLGGKSA-N 359.510 3.048 0 1 FGAF CC(C)COc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1 28883849 SSDNWYUTLOICPI-UHFFFAOYSA-N 362.373 3.329 0 1 FGAF CCOC(=O)c1noc2ncnc(N3CC=C(c4ccccc4)CC3)c12 21539010 BSKMPQYBCHJKQL-UHFFFAOYSA-N 350.378 3.088 0 1 FGAF COCCc1c(C)n(C(=O)N2CCC(c3cccc(C)c3)CC2)oc1=O 26846350 ULSFLUWBEPYBPS-UHFFFAOYSA-N 358.438 3.095 0 1 FGAF COc1cc(C(=O)c2c(N)c3cc(C)ccc3n2C)cc(OC)c1OC 29136267 DXORSGBFMKVPTQ-UHFFFAOYSA-N 354.406 3.326 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@H](O)[C@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356571492 SRURFZLFGGVPRV-DNJGJECLSA-N 364.482 3.410 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC 2356666369 WGCXTGBZBFBQPP-DMUMMCEESA-N 366.498 3.340 0 1 FGAF COC(=O)c1cc(-c2ccc(N)cc2)c2c(=O)n(-c3ccccc3)[nH]c2c1 66263024 DXXYLPSJBDXPAK-UHFFFAOYSA-N 359.385 3.355 0 1 FGAF CC1=CC[C@@H](O)C(C)(C)[C@@H]1CC=C(CC(=O)c1cc(O)ccc1O)C(=O)O 2356841705 MGRJEAWMLFNPRE-VQIMIIECSA-N 374.433 3.425 0 1 FGAF Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1 28528616 JHPMJNZQSSOYSF-HNNXBMFYSA-N 366.339 3.421 0 1 FGAF COc1ccc(C[C@@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 38388254 NYMMAIWHALQOKA-BLVKFPJESA-N 362.422 3.339 0 1 FGAF O=C(NCC1CC1)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82139833 KHUBJJDAMWYSGA-UHFFFAOYSA-N 354.429 3.413 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)co1 82068997 IGNKBBPHSRPWFI-MRXNPFEDSA-N 350.374 3.076 0 1 FGAF Cc1cccc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)n1 96168961 CXXRGJCQJBGYNW-UHFFFAOYSA-N 354.454 3.122 0 1 FGAF CO[C@@]12C(=O)c3ccc4ccoc4c3O[C@@H]1COc1cc3c(cc12)OCO3 238750869 IMCREKBHAGUBGZ-OXQOHEQNSA-N 366.325 3.040 0 1 FGAF CCc1ccc(-c2ccc3c(c2)-c2nn(C)cc2S(=O)(=O)N3C)cc1 95588170 JWHTYYABYMMKEE-UHFFFAOYSA-N 353.447 3.455 0 1 FGAF COc1cccc2c1N(C(C)=O)C13CCC4(CCCN5CC[C@@]21[C@@H]54)CC3 32134788 PGRMOTGVMPDJPT-SAZYNNDCSA-N 352.478 3.480 0 1 FGAF biogenic O=C(Cc1ccsc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@@H]2CCCC[C@H]21 587026000 JTSKYQVZRVABOU-XKQJLSEDSA-N 367.478 3.489 0 1 FGAF NC(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587079161 HDRMXBLWJGTNGU-ZDUSSCGKSA-N 353.813 3.039 0 1 FGAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 587174517 QFLDIUOUIMEFMW-IBGZPJMESA-N 353.397 3.210 0 1 FGAF CN(C)CCOc1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 586906697 GJVHPZDGDBYAEJ-CYBMUJFWSA-N 353.422 3.084 0 1 FGAF COC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587158319 WJOLCBIFUDAAEO-IBGZPJMESA-N 353.353 3.280 0 1 FGAF CCn1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(F)(F)F 587419567 CVXLWEGACUCVAR-MEBBXXQBSA-N 352.312 3.419 0 1 FGAF O=C1CN(c2ncccc2-c2nc(-c3cc(F)ccc3F)cs2)CCN1 587921928 CBZJWVRQRCUKAD-UHFFFAOYSA-N 372.400 3.087 0 1 FGAF N=c1nc(O)c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2[nH]1 587163874 MIBUMXGZKQSBGN-FLIBITNWSA-N 353.382 3.261 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CO)cc4[nH]3)cc2N1 587123269 HIWNCXSOMGRBNL-AMIZOPFISA-N 351.332 3.226 0 1 FGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 962949072 PCZXFJXRTLAUKR-GCMLWMHSSA-N 366.461 3.377 0 1 FGAF CC[C@@]1(COC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184146 QOUSFVKWQGBYJN-OCCSQVGLSA-N 351.752 3.209 0 1 FGAF CC(=O)SCCC[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978487 RICNZWQHIXEHJX-VXGBXAGGSA-N 363.813 3.318 0 1 FGAF Cc1cccc(Cl)c1Nc1nc2ccc(NCCO)nc2n2cncc12 13582099 PDDJFHPVBWPORY-UHFFFAOYSA-N 368.828 3.387 0 1 FGAF COc1c2c(cc3c1[C@H](O)[C@@H](O)[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885805 DDLGTXKGHBSIRU-IPMKNSEASA-N 354.402 3.407 0 1 FGAF biogenic CC(=O)[C@@]1(C(=O)NC2CCCC2)CC(c2ccccc2C(F)(F)F)=NO1 201487085 AOJLWGRYWRECTB-QGZVFWFLSA-N 368.355 3.216 0 3 FGAF COc1ccccc1-n1cc(CN2CCc3c([nH]c4ccccc34)C2)nn1 1857567342 ZHBPMZFZRKOKJQ-UHFFFAOYSA-N 359.433 3.316 0 1 FGAF c1ccc2c(Cn3cnc(-c4cc(-c5nn[nH]n5)ccn4)c3)cccc2c1 225939860 RWLJOLCFWMAJGE-UHFFFAOYSA-N 353.389 3.327 0 1 FGAF COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 3814851 ZQYDKYDSKVGDJP-UHFFFAOYSA-N 359.817 3.077 0 1 FGAF in-vitro CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@@H]1c1c[nH]c2ccccc12 2469375 ZFVNFLGVJXINGQ-UXHICEINSA-N 359.429 3.357 0 1 FGAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]2N3)cc1 100108546 OZLFPTWUGOWJAU-IQXGVOEQSA-N 368.502 3.157 0 1 FGAF C[C@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1 115603053 PAYUNELULSPXRL-CQSZACIVSA-N 373.287 3.310 0 1 FGAF O=C(O)CCCOc1ccc2c(c1Cl)C(=O)N(C1CCCC1)C2=O 29483665 BCUBZNKGMYKOFV-UHFFFAOYSA-N 351.786 3.122 0 1 FGAF CC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 20579771 QELNIGUGCHVOAU-HXUWFJFHSA-N 369.852 3.038 0 1 FGAF Cc1nc(NC(=O)c2cccc(COc3ccccc3)n2)sc1C(=O)O 28460054 IRUGRNIKEOITIT-UHFFFAOYSA-N 369.402 3.376 0 1 FGAF COC1=C[C@H]2c3c(c(CCN(C)C)cc4c3OCO4)C=C[C@H]2C=C1OC 40864476 XPALUHVBMIQPSU-XJKSGUPXSA-N 355.434 3.320 0 1 FGAF COC(=O)/C(=C\c1ccccc1)CNCCc1ccc(OC)c(OC)c1 98082748 RNOVVORRGKEIGK-AQTBWJFISA-N 355.434 3.093 0 1 FGAF COc1cc([C@@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc2nc(N)oc12 96934809 VSUKXNHJUZDKAB-INIZCTEOSA-N 368.368 3.255 0 1 FGAF O=C(N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 299827741 HOWVHHMEPAYTSJ-GOSISDBHSA-N 359.385 3.142 0 1 FGAF CC1(C)OCc2c(Nc3n[nH]c4cc(F)ccc34)nc(-c3cn[nH]c3)nc21 653707422 OBPBWDICVLAZAK-UHFFFAOYSA-N 365.372 3.391 0 1 FGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587614854 DDOVJFQUVWBTCQ-QFBILLFUSA-N 366.325 3.475 0 1 FGAF O=C([C@H]1CCN(Cc2ccccc2)C1)n1ncc2ccc(Cl)cc2c1=O 587654547 LMHGVDZWGQCSHK-INIZCTEOSA-N 367.836 3.212 0 1 FGAF CCOC(=O)C1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587409319 RJVVDSQQNBRXCU-OAQYLSRUSA-N 365.385 3.277 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587022277 XIQRICZJRACJNH-UHFFFAOYSA-N 350.403 3.459 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)OCCO3 587173967 DRWPBUKFDVWHDY-ZDUSSCGKSA-N 352.369 3.197 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(O[C@H](C)C(=O)O)c1)O2 587400798 OVIOITGNQAMEEA-ODXCJYRJSA-N 355.390 3.310 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587787348 OKVGEPZHEZVOHT-IBGZPJMESA-N 352.394 3.419 0 1 FGAF C[C@H](F)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587124800 PCHKNAHUSJGMQP-FFWSUHOLSA-N 351.017 3.446 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 587232239 UQYTZDXWSAXZHW-VXGBXAGGSA-N 365.861 3.261 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)Cc1cccc(C(=O)O)c1 963609237 NCVZCGTVRYTUQP-YEJXKQKISA-N 355.434 3.394 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(CCNc3cccc(Cl)c31)N[C@H](C(=O)O)C2 963509589 OHNWJJTWNQDIDR-IFXJQAMLSA-N 358.825 3.012 0 1 FGAF COc1cccc(C(=O)NC[C@@H]2Cc3cccc(-c4cccnc4)c3O2)c1 11974627 HXOZJWLXZBAHLZ-IBGZPJMESA-N 360.413 3.491 0 1 FGAF C[C@@H](CCc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1 12725535 MORWOEUQBSIBES-IBGZPJMESA-N 359.558 3.178 0 3 FGAF O=C1O[C@@H](Cn2cc[n+]3c2CCCC3)CC1(c1ccccc1)c1ccccc1 13651200 NDKIYEMCQXKMCO-OAQYLSRUSA-N 373.476 3.414 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)C(=O)CC[C@@H]12 13780204 VYGRJLSEKZYMAS-PHJMNMFVSA-N 350.455 3.295 0 1 FGAF O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2cc3ccccc3o2)C1 15674466 MVHJGJWVUKWXHW-WBVHZDCISA-N 362.389 3.186 0 1 FGAF biogenic COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169295339 XNCWDLBBWYSKHK-BEBCMGHMSA-N 367.489 3.206 0 1 FGAF CCOCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166633721 JHCXKKVQXHRMIB-UHFFFAOYSA-N 353.422 3.001 0 1 FGAF COc1ccc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cn1 205221911 HQIXQDRCTNHVFL-GOSISDBHSA-N 374.828 3.112 0 3 FGAF C=C/C=C/c1nc(SCC(=O)c2cccc(OC)c2OC)ncc1O 1857578043 AVRLFSDRZPQYNJ-VMPITWQZSA-N 358.419 3.374 0 1 FGAF Cc1cc(-c2nc3ccccc3n2C[C@H]2CC[C@H](O)CC2)cn(C)c1=O 1857610573 GNRYJUFJMNZAOI-JCNLHEQBSA-N 351.450 3.262 0 1 FGAF COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C 1857610761 QHJUDRSSCOYCQV-UHFFFAOYSA-N 353.422 3.164 0 1 FGAF COC1=C(CC=C(C)C)[C@@H]2O[C@@H]3c4ccc(O)cc4OC[C@]3(O)[C@@H]2C=C1 2356386405 HUQUUOIUJGCTAS-RCOXNQKVSA-N 356.418 3.398 0 1 FGAF CCOC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C 2910696 NMZGLIKVTUTJIR-UHFFFAOYSA-N 353.422 3.069 0 3 FGAF Cc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1 3045423 ZBFXFARCXUMFPN-UHFFFAOYSA-N 359.403 3.226 0 3 FGAF COC(=O)c1c(NS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 4884412 ZJWCIASFHBVTMZ-UHFFFAOYSA-N 365.476 3.355 0 3 FGAF COc1ccc(CN2CC[C@@H]3COC(=O)N3c3ccc(OC)cc3C2)cc1 2356293094 CDIWSMQZLNIQCY-QGZVFWFLSA-N 368.433 3.435 0 1 FGAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc12 103256295 HVLWBXCBLPJHLS-UHFFFAOYSA-N 374.396 3.441 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936954 OCPGSVYCKLXPSO-ASHSIKQCSA-N 362.510 3.293 0 1 FGAF endogenous,in-man CCCCC[C@H](O)C=CC1=C(CC=CCCCC(=O)O)C(=O)O[C@@]1(C)O 2356529044 RAQOIYLDXSAKSS-MGPUTAFESA-N 366.454 3.247 0 1 FGAF CCC(=O)N(CCCCCCN)C1CCN(CCc2ccccc2)CC1 66112135 GPIJRUUDMRVRFP-UHFFFAOYSA-N 359.558 3.451 0 1 FGAF C[C@H](C(=O)c1c(O)c2c(c3c1OC(=O)C[C@H]3C)OC(C)(C)C=C2)[C@@H](C)O 6488116 YBTZYMZAMUEVJB-OUAUKWLOSA-N 360.406 3.189 0 1 FGAF biogenic COc1ccc(C[C@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 38388253 NYMMAIWHALQOKA-BUXKBTBVSA-N 362.422 3.339 0 1 FGAF Cc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1NS(C)(=O)=O 36408167 OZMZPDYRMXRPPJ-UHFFFAOYSA-N 369.450 3.149 0 1 FGAF COc1ccc2nc(NC(=O)Nc3ccc(O)c(C(=O)O)c3)sc2c1 40567212 HBNHYFUOFRFSNH-UHFFFAOYSA-N 359.363 3.353 0 1 FGAF CCC[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2ON1c1ccccc1 136923441 PJKMBJVXWCXJEX-GBESFXJTSA-N 366.417 3.174 0 1 FGAF COC(=O)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1 45352531 SONYNSGGFBITQQ-OAQYLSRUSA-N 362.429 3.400 0 1 FGAF COc1c(OC)c(OC)c2c(=O)cc(-c3ccccc3O)oc2c1OC 82156015 UGMNKIHFPHEWAF-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF CC1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2 96283378 FZLMYAVKTHSKIZ-UHFFFAOYSA-N 353.349 3.403 0 1 FGAF Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1 95575307 WLXVXYVNPATIDD-UHFFFAOYSA-N 351.414 3.263 0 1 FGAF COc1cccc(CNCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 96928009 UQSPAUMTOPPAHK-UHFFFAOYSA-N 360.413 3.234 0 1 FGAF CC[C@@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@](C(=O)OC)(C2)[C@@H]13 105483452 FPUHKQMDWMVBRI-ABTLNGFYSA-N 368.477 3.264 0 1 FGAF biogenic Cc1ccccc1CNc1cc(-c2nccs2)nc(NCCC(=O)O)n1 653714280 PYRLBVKAAWZCDW-UHFFFAOYSA-N 369.450 3.407 0 1 FGAF O=C(NCC(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659141 YGKSHDZLYAPWOB-UHFFFAOYSA-N 365.286 3.323 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)CCCC2=O)N1 587818015 OJHSSNDVVOXDAU-VVVCHXIZSA-N 368.246 3.276 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1 586941365 SKIFVRKNQPDWMW-CMDGGOBGSA-N 362.842 3.010 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2n(C)c1=O 587873074 UUKJFVAOHJKIQX-UHFFFAOYSA-N 364.380 3.324 0 1 FGAF COC(=O)c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cn1 587094023 ZNVVAPAOWKDJJC-UHFFFAOYSA-N 368.340 3.461 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@H]1N=O)[C@@H](C2)C3=O 587429726 QUXHOZZMTHCIAO-VPWXQRGCSA-N 351.358 3.038 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587139970 BVPGLPAPCWGPGW-UHFFFAOYSA-N 362.430 3.030 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)cc(O)n1 587862507 BOPCOUVCXAGMHZ-UHFFFAOYSA-N 350.300 3.371 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC1C(=O)CC(C)(C)CC1=O)[C@@H](C2)C3=O 587447153 MFWMFVRYVVZBCZ-QKKBWIMNSA-N 356.418 3.166 0 1 FGAF C[C@H](F)[C@@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587124953 QBDGUXZZYQVBLA-AJAUBTJJSA-N 351.017 3.446 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587117787 WMTLTLWKZLRGEP-NSHDSACASA-N 358.711 3.359 0 1 FGAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)sc2c1C(=O)N1CCC=C1N2 587028967 CYGROIPJCALISW-UHFFFAOYSA-N 366.402 3.441 0 1 FGAF COc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650234 HRLMAGLPBNZGNZ-UHFFFAOYSA-N 358.419 3.141 0 1 FGAF CC(=O)SCCC[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978480 RICNZWQHIXEHJX-NEPJUHHUSA-N 363.813 3.318 0 1 FGAF CCc1ccnc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962978580 RZKUYDSINXHAJV-CZUORRHYSA-N 352.768 3.264 0 1 FGAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@@]1(C)NCCc2c1sc(C)c2C 963023171 LIBJWOQDTRGIDG-HNAYVOBHSA-N 367.511 3.248 0 1 FGAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1cnc[nH]1 1772578692 FUJYLIFVCURQFM-VOTSOKGWSA-N 357.417 3.325 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1 602119 ZJOUYQCSZYKGKU-UHFFFAOYSA-N 367.352 3.357 0 1 FGAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 1656441 ODUPYNQIZWDIOB-AQNXPRMDSA-N 373.456 3.113 0 1 FGAF CCOC(=O)c1cnn(-c2ccnc3cc(C(F)(F)F)ccc23)c1N 2523096 ZJQJPJNNOMQTQQ-UHFFFAOYSA-N 350.300 3.198 0 1 FGAF CC(=O)[C@]12C[C@H](C)[C@@](CO)(CCC(=CCO)CO)[C@H]1CCCCC2(C)C 2356361176 WISUTYKMYIPDLH-UHVFKWDWSA-N 366.542 3.488 0 1 FGAF CC(C)CCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 100792272 UJNMQXTZPSEGNU-IAGOWNOFSA-N 373.497 3.176 0 1 FGAF COc1ccc(-c2noc(C(=O)N(C)Cc3cccnc3)c2[C@@H](C)O)cc1 2356746106 USJXQIJOFNJLQI-CYBMUJFWSA-N 367.405 3.071 0 1 FGAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(F)cc2OC)cc1 28965752 KGMFIOTUCBPNQK-CMDGGOBGSA-N 366.410 3.437 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O 34751931 ZWCXSDJYJHKYKN-SOEYYFHNSA-N 362.466 3.354 0 1 FGAF O=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 36638263 QXRKOMOGBPPDNO-MRXNPFEDSA-N 355.413 3.386 0 1 FGAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(Br)cc1 72134081 YRXUATCBFOOCNO-HOCLYGCPSA-N 351.288 3.454 0 1 FGAF CC(=O)N[C@@H](CSC/C=C(\C)COc1ccc2ccccc2c1)C(=O)O 72114462 FVNDRYXZEYGDDJ-JNMQVBFRSA-N 373.474 3.487 0 1 FGAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1CCc1ccc2c(c1)OCO2 238771915 HGUFUYCGEMFOAS-JKSUJKDBSA-N 368.385 3.109 0 1 FGAF COc1ccc(OC)c(Sc2ccc3ncn(-c4cnn(C)c4)c3n2)c1 299836005 XPZRGTXEGYPYKG-UHFFFAOYSA-N 367.434 3.322 0 1 FGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C)c2[nH]1 586965575 RZGDEMXWDNPASQ-UHFFFAOYSA-N 367.482 3.328 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3ccccc3cc2[nH]1 586945468 GDZMCYPVYMRHJA-UHFFFAOYSA-N 355.419 3.334 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Br)ccnc3[nH]1)C2 587247266 OAHDQCFDVABLRV-KRWDZBQOSA-N 373.254 3.072 0 1 FGAF c1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cn1 587018775 OUAXZBFSIDXGJR-UHFFFAOYSA-N 350.403 3.443 0 1 FGAF CCOC(=O)Cc1ccc2[nH]c(C(=O)Nc3ccccc3CC)nc2c1 587240999 NEBXCNLRWAEZLA-UHFFFAOYSA-N 351.406 3.483 0 1 FGAF Cn1nnc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1C(F)F 587127849 ARSHDHCSDRJIQG-UHFFFAOYSA-N 364.100 3.337 0 1 FGAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587152329 ZLDIOYIXYCAHCN-VIFPVBQESA-N 352.362 3.385 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccncn1 587863870 CKPVSIJJHFVLGG-UHFFFAOYSA-N 362.311 3.446 0 1 FGAF CC(=O)SCc1cc(O)n(-c2c(N)cccc2Br)c1O 587937735 XCAZYGNOAGKBSB-UHFFFAOYSA-N 357.229 3.013 0 1 FGAF CC1=C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)[C@H](c2cc[nH]n2)C(=O)O1 963119459 GXFQRSLWEIAPGX-WBVHZDCISA-N 364.232 3.302 0 1 FGAF Cc1cc(O)nc(SC[C@]2(C(C)(C)C)NCCc3c(C)ccnc32)n1 963069275 MABBDFYHDNWVIF-IBGZPJMESA-N 358.511 3.373 0 1 FGAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1cnc2c(c1)OCCO2 962700081 FKIUFQNVWOKWFL-LIRRHRJNSA-N 372.465 3.445 0 1 FGAF COC(=O)c1cc([C@@]2(c3ccccc3C)NCCc3c(C)ccnc32)c[nH]1 963078154 XKUYTCUJOJNUQJ-QFIPXVFZSA-N 361.445 3.251 0 1 FGAF CC(C)NC(=O)c1cc(N(C)Cc2ccc(C(F)(F)F)cc2)ncn1 1772600224 SCTIPAJZQDYUHJ-UHFFFAOYSA-N 352.360 3.270 0 1 FGAF COc1cccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 12026485 UIVKDWVYFSNQLJ-GOSISDBHSA-N 356.441 3.158 0 3 FGAF COc1cccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 205217194 PVQZAJSFNVZNLO-BBRMVZONSA-N 374.799 3.363 0 3 FGAF COc1ccc([C@@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1F 205628107 XJJAJIUTAIVQTE-GOSISDBHSA-N 373.409 3.074 0 1 FGAF Cc1cc(-c2ccnc3[nH]nc(C(F)(F)F)c23)cc(C2(CN)COC2)c1 1857617952 UXZAPNVTOAXLTD-UHFFFAOYSA-N 362.355 3.179 0 1 FGAF Fc1ccc(Nc2cc3nc(-c4cccc(-c5nn[nH]n5)c4)[nH]c3cn2)nc1 1857646030 IFFMHXYSEPYYEN-UHFFFAOYSA-N 373.355 3.083 0 1 FGAF CCC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101343233 HRFFCOVDJJFFDN-IYBDPMFKSA-N 365.385 3.277 0 1 FGAF CCC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](O)C(C)(C)O2 27520287 FZZMUAFJQSVQOJ-RTBURBONSA-N 371.408 3.421 0 1 FGAF CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2ccn(C)c2)s1 20860989 HYLHNWQZIFVZIQ-HNNXBMFYSA-N 359.495 3.133 0 1 FGAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)coc2=O)cc1 26836505 WQWYCJWFWUDWMZ-UHFFFAOYSA-N 357.362 3.132 0 1 FGAF CCOC(=O)N1CCC(c2cc(O)n3nc(-c4ccccc4)cc3n2)CC1 100287746 XWCOSOJEVKQZPE-UHFFFAOYSA-N 366.421 3.438 0 1 FGAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356328383 UEQFUKYSYIDACR-NVGWVTIJSA-N 358.434 3.359 0 1 FGAF COC=C(C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C 2356739388 WAVDUDGTTMFJQX-URKNILKWSA-N 354.450 3.426 0 1 FGAF OC[C@@H]1C[C@H]2CCN1C[C@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 2356855501 REAIVFLMPYAPSK-CEXWTWQISA-N 364.493 3.366 0 1 FGAF CCC(=O)[C@H](NC)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3C=C[C@@]21C 14713453 GCFVDZFIBUXKDL-UQVAWVEYSA-N 371.521 3.202 0 1 FGAF biogenic COc1ccc2c(c1OC)N(C=O)C13CCC4(CCCN5CC[C@]21[C@@H]54)CC3 14857207 ZQIZRPRLODREBX-ZGJBTBESSA-N 368.477 3.099 0 1 FGAF biogenic Cc1nccc2c1[nH]c1cc([C@@]34CC[C@@](C(=O)O)(OC3=O)C4(C)C)ccc12 40862126 GOEJYGFKWDCKIU-SFTDATJTSA-N 364.401 3.463 0 1 FGAF CCOc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2 220963961 GGXDYXALEJFDJG-UHFFFAOYSA-N 360.841 3.242 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253638924 BNTIEMZWVNNNAF-OKYOBFRVSA-N 356.466 3.309 0 1 FGAF COC(=O)N1CCc2cc(O)c(OC)c3c2[C@@H]1Cc1cc(O)c(OC)cc1-3 96085657 RYEXLSDOKVGMTN-ZDUSSCGKSA-N 371.389 3.004 0 1 FGAF biogenic,in-vitro CCOc1cc(O)c2c(=O)c(O)c(-c3ccc(OCC)c(O)c3)oc2c1 299825317 BXGPRILIBMAHQV-UHFFFAOYSA-N 358.346 3.374 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(C)cc1 587207352 RHOJOEZAKFCBKT-CYBMUJFWSA-N 373.254 3.449 0 1 FGAF Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)nnn1Cc1ccc(Cl)cc1 587074777 YLZLGCFBCNGZRR-UHFFFAOYSA-N 360.208 3.227 0 1 FGAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587450021 CORWJMGIIQUYRT-VNBSIWGGSA-N 368.385 3.398 0 1 FGAF CC(C)OC(=O)C1(c2nc3ccc(Br)nc3[nH]2)CC(F)(F)C1 587131087 WYKIRKFWOXWREJ-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF COc1ccc(-c2ccc3nc(-c4ccc(O)c(C(N)=O)c4)cn3c2)cc1 1772626776 YSQLUJXFTOKHMR-UHFFFAOYSA-N 359.385 3.481 0 1 FGAF COc1cc(OCc2ccccc2)cc2oc(=O)cc(CCC(=O)O)c12 5639608 NUGCHWKKWPCKJZ-UHFFFAOYSA-N 354.358 3.398 0 1 FGAF C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2nccs2)CCO3)C[C@@H](C)O1 11975410 MZANYJZOPBPIDX-IYBDPMFKSA-N 373.522 3.147 0 1 FGAF COc1cccc(-c2cn(-c3cccc(C(=O)O)c3)c3ncnc(N)c23)c1 13538675 PIVIYQXUQRKVNG-UHFFFAOYSA-N 360.373 3.377 0 1 FGAF Cn1c(=O)c(Nc2ccc(C(=O)NCc3ccco3)cc2)nc2ccccc21 13982629 OLROYAINFFEFJQ-UHFFFAOYSA-N 374.400 3.200 0 1 FGAF CCCCC/C=C\C[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 169622172 RIBVJRIPUIBKFY-XOEICTMYSA-N 352.471 3.251 0 1 FGAF CC[C@H](CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)OC 167112445 VZDKIYYJBVBNJD-LJQANCHMSA-N 367.449 3.389 0 1 FGAF COCCCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 205440350 YACZKRXTTLTDQA-CYBMUJFWSA-N 353.426 3.420 0 1 FGAF CCOC(=O)[C@@H](C)N[P@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857572532 YGSLLMNEAQXTQJ-VYBGJCFVSA-N 355.371 3.128 0 1 FGAF CO[C@@H]1C[C@@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 2356332599 GLJYOQVDANSTQF-XNMXRAKZSA-N 352.386 3.115 0 1 FGAF CC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C 3820694 CHSPOGGCOKIJJT-UHFFFAOYSA-N 358.417 3.425 0 1 FGAF CCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)c1cccc(C)c1 4917881 SGLCIXBUBRFQBP-UHFFFAOYSA-N 354.498 3.103 0 3 FGAF CCOC(=O)C(C(=O)OCC)[C@@H]1C=CC[C@@H]2c3ccccc3COC[C@@H]21 6020223 HLVBAEFCAASWFV-KURKYZTESA-N 358.434 3.235 0 1 FGAF O=C(NCCc1ccccc1Cl)c1ccc2c(c1)nc1n2CCOC1 8614432 ZPUANVCROPCVAG-UHFFFAOYSA-N 355.825 3.192 0 1 FGAF CS(=O)(=O)Nc1cccc([C@H]2[C@@H]3CN(CCCc4ccccc4)C[C@@H]32)c1 101428906 RNIZMXXTCCITTO-AERCQKQUSA-N 370.518 3.336 0 1 FGAF COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 101742864 DJPGPNCQSQEWMW-MRXNPFEDSA-N 355.415 3.206 0 3 FGAF CCN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2 101790333 VEIDKIPDKMIJHI-BCDXTJNWSA-N 367.493 3.328 0 1 FGAF CC(=O)O[C@]1(C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@H]1CCC(=O)O 2356501856 OZPCMTCOECGYQW-RMIBSVFLSA-N 354.443 3.480 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)CCc1ccccc1 61929915 CIZFWYXDCHKAIH-NRFANRHFSA-N 362.433 3.125 0 3 FGAF CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356560975 LLQBSJQTCKVWTD-ZWJWXYIHSA-N 356.503 3.267 0 1 FGAF O=S(=O)(Cc1c(F)cccc1Cl)c1ccc(-c2ccccn2)nn1 72123011 OFJXGKSFPWXBFW-UHFFFAOYSA-N 363.801 3.305 0 1 FGAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCC(=O)N3)c1F 220745820 ZWNADYSXZVQCIE-GFCCVEGCSA-N 362.788 3.451 0 1 FGAF CCCCNc1nc(N2CCSCC2)nc2cc(OC)c(OC)cc12 82129020 YBMVENSMBKTSIS-UHFFFAOYSA-N 362.499 3.412 0 1 FGAF CN(C)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49784843 JJTXMWLXISGCOX-UHFFFAOYSA-N 363.389 3.318 0 1 FGAF COc1cccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)c1OC 82204197 GAYNJAQSDHWGCP-HUUCEWRRSA-N 372.469 3.028 0 1 FGAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)N3CCCCC3)C(C)C)co2)cc1 82070137 AHWXPAZGHCOOBP-GOSISDBHSA-N 369.465 3.417 0 1 FGAF COc1ccc(NC(=O)/C=C/c2coc3cc(OC)ccc3c2=O)cc1 95586848 KPPCHWMYVZMMEA-XCVCLJGOSA-N 351.358 3.462 0 1 FGAF COC(=O)[C@@]12C=C3CC(C4CC4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 96018506 JAFPAVUWNAMOPU-QFIPXVFZSA-N 360.413 3.015 0 3 FGAF C[C@@H](Oc1ccc(Cl)cc1F)C(=O)NCc1ccc2c(c1)OCO2 299856927 LAMXCKPWKIAILH-SNVBAGLBSA-N 351.761 3.292 0 1 FGAF C[C@]1(O)C[C@@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1 653823126 CPANPOLBUJYHAM-ZACQAIPSSA-N 353.340 3.496 0 1 FGAF C=C(C(=O)O)c1cc(O)n(-c2cc(F)c(Br)cc2F)c1O 587943427 AUDRAWQDMAIUJI-UHFFFAOYSA-N 360.110 3.027 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)s1)([C@H](C)O)[C@@H](C2)C3=O 587449233 BSNVTWMFFLFOAN-QVPHYQLJSA-N 350.823 3.434 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1 587597552 UYRJGCCYORCENN-CWOGLYSOSA-N 351.402 3.397 0 1 FGAF COC(=O)c1ccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587438311 NGRAFIZLXBYJLM-JLTOFOAXSA-N 363.369 3.452 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1nccn1C)CC2=O 587470551 LAKTYUHPAONDSQ-NRFANRHFSA-N 363.417 3.382 0 1 FGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1 586931870 NQMHEKPPIUBBLB-UHFFFAOYSA-N 365.842 3.046 0 1 FGAF CC(C)Oc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br 587044544 XYTCTDOASNOYBH-NSHDSACASA-N 370.272 3.017 0 1 FGAF O=C1CCc2cc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3cc2N1 586996438 UVOKSNDGJZLYQP-MRXNPFEDSA-N 372.222 3.292 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(F)c2F 587473144 XNRLCEWMVMDQQL-LJQANCHMSA-N 359.328 3.436 0 1 FGAF CC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1 587394909 KAHADWRKPDTCTQ-OAQYLSRUSA-N 350.418 3.190 0 1 FGAF C=CN1CCCC[C@@H]([C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587396595 UKTYVBJUVNNABU-IIBYNOLFSA-N 354.450 3.463 0 1 FGAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 587201661 VCFWEJDHESZZPH-UHFFFAOYSA-N 360.458 3.243 0 1 FGAF N=c1[nH]c2nc(-c3cccc(-c4ccccc4CO)c3)nc-2c(Cl)[nH]1 586894980 JIKLTKSZOJWSPG-UHFFFAOYSA-N 351.797 3.197 0 1 FGAF NS(=O)(=O)c1cccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962665132 JHCXIEZVARZGSL-OAQYLSRUSA-N 364.470 3.236 0 1 FGAF COc1cc(OC)c2nnc3c(c(-c4sc(C)nc4C)nn3C)c2c1 146546733 ZZKGUYYWXGOKCA-UHFFFAOYSA-N 355.423 3.274 0 1 FGAF FC(F)(F)CNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772618009 VDTCRZYKQZMKIZ-XYPYZODXSA-N 352.364 3.031 0 1 FGAF CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2c[nH]c(C)n2)CC1 12313957 UQPDKRJQPCXWDW-UHFFFAOYSA-N 371.481 3.333 0 3 FGAF CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641914 VHAPRUSIYKEWDM-CYBMUJFWSA-N 355.213 3.011 0 1 FGAF COCc1c(CO)cc(OC)c(C/C=C(\C)C/C=C/C(C)(C)O)c1O 15120514 HSBZAMRITVXXEP-FGEXGLGOSA-N 350.455 3.246 0 1 FGAF O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCOc2ncccc21 205621932 OHZAAOPIQYFLOW-NSHDSACASA-N 370.302 3.302 0 1 FGAF COc1ccc(-c2ccc3nc[nH]c(=NCCN4CCCCC4)c3c2)cn1 1857598930 KYZPVKAZFYVHLI-UHFFFAOYSA-N 363.465 3.020 0 1 FGAF CC=CCn1c(SCCCc2ccccc2)nc2c1c(O)nc(=O)n2C 1857623491 MGHRGGHCCMMDND-UHFFFAOYSA-N 370.478 3.137 0 1 FGAF Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccccc3F)cc2)o1 1857646740 GBWCTXVXDVEDPZ-UHFFFAOYSA-N 365.368 3.403 0 1 FGAF COc1cc2c(cc1OC)N(c1cc(OC)c(OC)c(OC)c1)C(=O)CC2 1857759805 FKUTWHNTGRKJAC-UHFFFAOYSA-N 373.405 3.341 0 1 FGAF COc1cc(-c2cnc3sc(NCC4CCOCC4)nn23)ccc1O 117608096 VDVPSDCTWWYJQL-UHFFFAOYSA-N 360.439 3.011 0 1 FGAF C[C@H]1C[C@@H](C)CN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)C1 2465445 HVJNHTJFHLDLFD-OKILXGFUSA-N 351.450 3.148 0 1 FGAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4050817 ZEFAKLOGOFOCJS-ZXFPDNNPSA-N 366.461 3.302 0 1 FGAF O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1 22778559 IQYIVLCWFWBASZ-UHFFFAOYSA-N 371.868 3.066 0 1 FGAF CC1(C)[C@H]2CC[C@H](CCOc3ccc(CCC(N)(CO)CO)cc3)[C@H]1C2 114102106 KSDMRGWEFNUMPG-WSTZPKSXSA-N 361.526 3.143 0 1 FGAF CCN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862249 KKHSRRAAPRDEAZ-OAHLLOKOSA-N 373.453 3.275 0 1 FGAF COc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 33504936 QCIPAKYWNDVOBP-CQSZACIVSA-N 353.806 3.365 0 1 FGAF C[C@@H](C(=O)c1ccc2c(c1)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 14437626 GOQCVHOZONDOOT-VXGBXAGGSA-N 354.358 3.482 0 1 FGAF biogenic C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3[C@@H](OC)[C@]2(C)[C@H]1C 138018012 WKZIMJTUNFMKDY-QUPJYPITSA-N 360.450 3.498 0 1 FGAF COc1cc(O)c2oc(OC)c(-c3ccc(OC)c(OC)c3)c(=O)c2c1 238756784 VFEWDPIHBLRBTM-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O[C@H]4CCOC4)cc3)c12 96168357 IAKRLGNCJLVZPY-INIZCTEOSA-N 350.422 3.414 0 1 FGAF COc1cccc(OC)c1-c1cnnc(N(C)Cc2nc(C)c(C)s2)n1 95581022 UOWAXXOKBAFNQY-UHFFFAOYSA-N 371.466 3.266 0 1 FGAF CC[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343542 COCJQRUBFDSAEQ-DYHNYNMBSA-N 369.392 3.175 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1F)[C@@H](C2)C3=O 587425808 HVAZYHXSOLPENR-KKSFZXQISA-N 369.392 3.160 0 1 FGAF COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCCO2 587411778 KKARXFZNEAXMLM-KRWDZBQOSA-N 355.390 3.454 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2ccc(CO)cc2[nH]1)C(F)(F)F 587091200 BZNXPURMYJTUJH-KRWDZBQOSA-N 365.355 3.219 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)c4ccccc4)C1)[C@@H](C2)C3=O 587441104 DJFWDEIBONVHQB-JTSKRJEESA-N 363.413 3.118 0 1 FGAF OCc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119260 AOULSHIJBJMGQJ-UHFFFAOYSA-N 350.344 3.198 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC2(C)C)N1 587828910 AZOXHYZWJLUIRY-BCTVWOGZSA-N 370.218 3.095 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCOCC4)c1)[C@@H](C2)C3=O 587445364 WBFNILULJHJCSL-AVRDEDQJSA-N 365.429 3.195 0 1 FGAF COc1nccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073156 DFMOECXGFIDQFH-UHFFFAOYSA-N 354.801 3.235 0 1 FGAF COc1ccc([C@@]2(CCN(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388127 WPZLZHJAYHWNNV-OAQYLSRUSA-N 354.450 3.398 0 1 FGAF COCOc1cccc([C@]2(c3ccccn3)NCCc3ccc(O)cc32)c1 963342659 RGRXGVVBEWSMFC-QFIPXVFZSA-N 362.429 3.208 0 1 FGAF COc1cccc2cc3c(nc12)[C@@](CN)(c1ccc(Cl)cc1)NCC3 963060675 VZWOAONRVMBOFK-HXUWFJFHSA-N 353.853 3.245 0 1 FGAF O=C(c1ccc(F)c(O)c1)c1cc(CO)cc(-c2cccc(O)c2F)n1 1772628473 AGLYTRDSFIYAQW-UHFFFAOYSA-N 357.312 3.161 0 1 FGAF COc1cc(C2(O)COC2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 1772641368 WUAMEFNVERVFOG-UHFFFAOYSA-N 373.792 3.413 0 1 FGAF COc1ccc(S(=O)(=O)N(C)CCCC(=O)c2ccc(F)cc2)cc1 1857590248 NVBCIXIWYXQJEH-UHFFFAOYSA-N 365.426 3.118 0 1 FGAF O=c1cc(OCCOc2ncccc2Cl)ccn1-c1ccc(F)cc1 1857635038 QFAYLSHTEBNWAR-UHFFFAOYSA-N 360.772 3.483 0 1 FGAF Cc1cccc(=O)n1CCCNC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C1(C)C 1857769402 BPIYVMAAHNWDHX-OALUTQOASA-N 356.441 3.242 0 1 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC 1724916 FFVRRQMGGGTQRH-MSPRAJMNSA-N 354.450 3.042 0 1 FGAF CC1=C[C@@H]2C[C@]3(C)O[C@H]4C[C@H]3[C@](O)(C4)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C 2356328005 MWUDXCKYFLGDEF-DXBYRKKDSA-N 359.510 3.048 0 1 FGAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccn1 58592160 VJEQPFBKQXOJQL-UHFFFAOYSA-N 371.393 3.274 0 1 FGAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)c1ccccc1 61922170 MFLNKLWALMUZQW-GFCCVEGCSA-N 352.369 3.292 0 3 FGAF O=C(O)C(=O)Nc1nc(-c2cc(-c3c(F)cccc3Cl)no2)cs1 27657520 CEMMCXSYFUARSP-UHFFFAOYSA-N 367.745 3.281 0 1 FGAF CON(C)C(=O)C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 61948214 TWFGFNGJECMJJE-ZDUSSCGKSA-N 356.850 3.358 0 3 FGAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356753526 GMANNNGILPFSTB-ZCNNSNEGSA-N 361.530 3.479 0 1 FGAF O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccc(Cl)cc1 72120159 FFZVHEXYFHQWGM-UHFFFAOYSA-N 370.821 3.278 0 1 FGAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NCC(F)(F)F)cc1 61925818 QLPIBYQFKGTVML-QGZVFWFLSA-N 356.388 3.267 0 3 FGAF CCOc1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 221341776 PVODVGZWIUILNA-BETUJISGSA-N 353.426 3.032 0 1 FGAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2cccc(C(=O)O)c2)c1)C(=O)O 45340393 GYQQZBHHWTWPIA-CYBMUJFWSA-N 354.189 3.313 0 1 FGAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434737 XAYGZUPPSTVYAR-KGLIPLIRSA-N 366.442 3.429 0 1 FGAF biogenic COc1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1O 653880677 QZASKHLJKPWQNZ-CSKARUKUSA-N 366.461 3.195 0 1 FGAF CC1=C[C@]2(CC(=O)N1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587756770 FKQAVXBEEIPTCW-XXFAHNHDSA-N 353.235 3.084 0 1 FGAF Cc1c(F)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F 587134532 IOHUCYSQHOGZPV-UHFFFAOYSA-N 351.378 3.067 0 1 FGAF COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525023 PBNXBDCCXAGYES-IIBYNOLFSA-N 374.433 3.032 0 1 FGAF O=C(O)c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1F 587164999 HXEYWYBTCJHRRU-UHFFFAOYSA-N 354.316 3.451 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587816612 BDRKOWAQWRJKSK-ZXJZVJERSA-N 368.246 3.276 0 1 FGAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C 587583063 TWMRAGRWDFHFBI-XLIONFOSSA-N 350.374 3.311 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N(C)C)n2)N1 587739422 BDSKDQFOVLGHQJ-VFZGTOFNSA-N 365.250 3.068 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCNCC3)c(F)c1)O2 587384191 BPICPAHOEIHETN-OAQYLSRUSA-N 369.440 3.007 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(C)cc21 587482671 CKGLIPFKEHUEMJ-NRFANRHFSA-N 351.402 3.490 0 1 FGAF NC(=O)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979616 RVHKGWKXGVCAJM-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cccn1C 587868720 QCOFUWUNHWAOIV-UHFFFAOYSA-N 364.327 3.194 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(C4OCCCO4)cc3)c3cccc1c32 963035580 RYKQEKHBIKYBPY-IERDGZPVSA-N 364.445 3.265 0 1 FGAF COc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O 13744806 RLRNWCQXTMORPF-UHFFFAOYSA-N 363.460 3.347 0 1 FGAF CCc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 169697324 ZCJBVRVIWQHPJW-UHFFFAOYSA-N 373.464 3.273 0 1 FGAF COC(=O)C1=C(c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)C1 1616651 ZKCMETIEMBJGTE-INIZCTEOSA-N 368.341 3.190 0 1 FGAF CCOC(=O)C(C(=O)OCC)[C@H]1C=CC[C@H]2c3ccccc3COC[C@H]12 6020221 HLVBAEFCAASWFV-BZSNNMDCSA-N 358.434 3.235 0 1 FGAF CSc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 6415952 QUDIRLSLNHWYGV-UHFFFAOYSA-N 352.462 3.112 0 1 FGAF COc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@@H]2N)c1 28821842 ZQWRLMAEBNBJTD-AABGKKOBSA-N 368.477 3.126 0 1 FGAF CCOC(=O)n1c2cc(F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26385276 PTOFNKWUNGQZMZ-UHFFFAOYSA-N 360.341 3.004 0 1 FGAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 117693753 BMPLTNNXXFVKEU-LBPRGKRZSA-N 373.416 3.464 0 1 FGAF CNC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 39235810 SIUDLAKKBRIKKR-KTJQLDGKSA-N 360.461 3.384 0 1 FGAF COc1cc(-c2nc(CNCc3cccnc3)co2)cc(OC)c1OC 72183728 OOBGGTQHDQWVGL-UHFFFAOYSA-N 355.394 3.052 0 1 FGAF O=C(O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1 45340075 MNXDTRVZLJPQQT-UHFFFAOYSA-N 367.327 3.241 0 1 FGAF O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1ccc(O)cc1 40380102 KZKZSNIRISLXBP-UHFFFAOYSA-N 368.414 3.100 0 1 FGAF Nc1nc(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc2c1ncn2[C@H]1CCCO1 254132946 QGZKDFNFCTXEHY-BYNSBNAKSA-N 357.458 3.455 0 1 FGAF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@H](CC=C5C[C@H](N(C)C)[C@@H](O)C[C@@]54C)[C@H]2CC[C@H]13 255260835 QHMLSDSMAKJEBA-CTXIZTICSA-N 373.537 3.392 0 1 FGAF Cc1ccc(NC(=O)COc2cccc(Cl)c2Cl)c(C(N)=O)c1 473114419 NOTLTMXXLPKHSN-UHFFFAOYSA-N 353.205 3.418 0 1 FGAF CC(C)N1CCC(Oc2ccc(C(=O)N[C@H]3CCN(C(C)C)C3)cc2)CC1 653765534 MLNZYIQIFPHNKO-IBGZPJMESA-N 373.541 3.151 0 1 FGAF CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCCCO4)CC(F)(F)C1 587131421 HBTMCHPAHWDCRQ-UHFFFAOYSA-N 366.364 3.343 0 1 FGAF Cc1ccc2c3c(cc(CN4C(=O)CCC4=O)nc13)-c1ccccc1C2=O 587098953 XJGGIXUWLQKDRA-UHFFFAOYSA-N 356.381 3.404 0 1 FGAF COc1cc2c3c(c1)OC1([C@H]4CC5C[C@H]1CC(C(=O)O)(C5)C4)[C@@H](C2)C3=O 587453271 XXSWWBVYDZVHPR-FGKLFQRDSA-N 354.402 3.092 0 1 FGAF Nc1ccnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587016697 BOTLWKWPNMEUAI-UHFFFAOYSA-N 365.418 3.026 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582701 NLJSHSZQOPPLDX-WIYYLYMNSA-N 365.385 3.249 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586963061 JDUOBKWLKWVFMO-CQSZACIVSA-N 371.466 3.312 0 1 FGAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(CC(=O)c4cc(C)cc(N)c4O1)[C@H](C3)C2 587400876 TWJVFMWHLDONEK-HITRIEFSSA-N 355.434 3.281 0 1 FGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(F)c2)c1 587147296 KMFJQPHXNKWKDU-UHFFFAOYSA-N 364.336 3.484 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587250728 YCRHRCNKTTUSJQ-UHFFFAOYSA-N 351.284 3.333 0 1 FGAF CN(C)CCOc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587172145 XFHSQDJJOMETFX-UHFFFAOYSA-N 371.412 3.100 0 1 FGAF CCOC(=O)[C@@]1(c2cc(F)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587384427 CYONRNVCFRHZOV-FQEVSTJZSA-N 373.380 3.149 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)F)nn(C)c1O)CC2=O 587465767 KGINKERIIRRSQX-LBPRGKRZSA-N 352.337 3.428 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc(C)nc1 587862182 GUXAVWRVNAJJQM-UHFFFAOYSA-N 362.311 3.364 0 1 FGAF CCOC(=O)[C@@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444231 YNDVRJPADCFBEH-VGSWGCGISA-N 366.413 3.377 0 1 FGAF COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(OC)c1O 587786505 VASUNBFXIBEDQU-UHFFFAOYSA-N 374.706 3.367 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)[nH]2)N1 587789739 FVWIOUQYJJEREX-JKYUHCHBSA-N 353.191 3.238 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1 587226129 VPLPUZACPWDSGK-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(S(C)(=O)=O)c(F)c1 963269669 LNEFUCWCIPQNEC-KRWDZBQOSA-N 369.845 3.126 0 1 FGAF CC[C@]1(c2cc(C(=O)O)ccc2F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024828 MENSVDKEYDRLLC-ASSNKEHSSA-N 368.408 3.231 0 1 FGAF COc1cc(-c2ccc(C)c(N)c2)cc2c1OCCN(C(=O)C1CC1)C2 1772575388 WDFHEQFWZXSADX-UHFFFAOYSA-N 352.434 3.384 0 1 FGAF COc1ccc(OC)c(-c2cncc([C@@H](CC(=O)O)c3nnc(C)o3)c2)c1 1772626446 YBUKYOZLSGRRLO-MRXNPFEDSA-N 369.377 3.064 0 1 FGAF COc1ccc2ccc(=O)oc2c1C[C@@H](OC(=O)CC(C)C)C(C)(C)O 13334686 XAKVHDMPRFGESG-MRXNPFEDSA-N 362.422 3.073 0 1 FGAF biogenic CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)cc(F)c3[nH]2)Cc2ccccc21 13587926 HACRINPRBMCNDO-OAHLLOKOSA-N 371.799 3.278 0 1 FGAF CN(C)Cc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)o1 13602089 MIWJUNIETFMFNN-UHFFFAOYSA-N 365.429 3.321 0 1 FGAF Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)O)c(CC2CCCCC2)c1 13824708 WFHBTYFDIZWFDG-MOPGFXCFSA-N 364.482 3.392 0 1 FGAF CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N(C)[C@@H]12 14923148 GSQUXSFTXJRLQJ-BXXSPATCSA-N 360.505 3.061 0 1 FGAF endogenous,in-man Cc1noc(C)c1-c1ccc2c(c1)[C@@H](OCCCN1CCNCC1)CC2 169322590 ULKDVIGHPGCRJB-FQEVSTJZSA-N 355.482 3.258 0 1 FGAF Cc1nc([C@H]2C[C@@H]2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205281014 WSTOKKIZKSOHJV-KBPBESRZSA-N 363.400 3.269 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N(C)Cc4cccnc4)ncc23)ccn1 205447347 RUPVCEOAWZEYBF-UHFFFAOYSA-N 373.420 3.387 0 1 FGAF C[C@H](O)CCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356340774 XZKUIIFETKOPRD-GBESFXJTSA-N 352.471 3.129 0 1 FGAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCO 2482161 ODVVOQIWQRQTBD-UHFFFAOYSA-N 372.808 3.393 0 1 FGAF COc1ccc(-c2nnc3n2N=C(c2ccccc2OC)CS3)cc1 9288877 NEFKCKDDPFABIH-UHFFFAOYSA-N 352.419 3.320 0 1 FGAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1 29475058 BZXRDDWHRLMZAZ-KRWDZBQOSA-N 359.466 3.159 0 1 FGAF C[C@H](Cc1cccs1)NCc1c(C(=O)N2CCCC2)nc2sccn12 20455555 UORGCXLFGQMKFN-CYBMUJFWSA-N 374.535 3.414 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(OC)c(Br)c2)C[C@H]2CC[C@H]1N2C 101221516 QICUCNWHSFGKTP-NCZKRNLISA-N 368.271 3.197 0 1 FGAF COC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)N[C@@H](C)c1ccccc1 28469291 HWSRODHWXBZVDE-HRAATJIYSA-N 352.434 3.317 0 1 FGAF O=C(O)[C@H]1C[C@@H](C2=CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 34009020 RAVZUVXRDCISNO-NVXWUHKLSA-N 369.808 3.061 0 1 FGAF Cc1ccc(-c2[nH]c(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1 26293969 GEIFSAKKUIODBO-UHFFFAOYSA-N 363.461 3.308 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)O 71756460 CIMMACURCPXICP-SMUGKCSQSA-N 354.487 3.475 0 1 FGAF in-vitro CC(C)(C)c1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)on1 218263479 NNRBNCHQLVUZPE-UHFFFAOYSA-N 366.421 3.313 0 1 FGAF COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1C 45316628 HZIOSWLCMNAEBB-QVLKYBFXSA-N 367.493 3.202 0 1 FGAF Cc1cnc(N2CCN(C)CC2)nc1NCc1cccc(C(F)(F)F)c1 82202780 HPXOFFKZZAAZIB-UHFFFAOYSA-N 365.403 3.168 0 1 FGAF COc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 84672585 PPMCZEBJGJNUJF-INIZCTEOSA-N 367.426 3.332 0 1 FGAF Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226054124 FGSCAWVVSJGFJQ-KKUMJFAQSA-N 368.462 3.171 0 1 FGAF CCOC(=O)N1CCC(Nc2cc(-c3cc(F)ccc3F)ncn2)CC1 82160914 SNFINKKFSLACNF-UHFFFAOYSA-N 362.380 3.455 0 1 FGAF CCC(CC)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](C)CN2 82211841 ORZPWGMJBGKZGP-AWEZNQCLSA-N 362.518 3.425 0 1 FGAF COCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133716 ZBPWVQBFHSCNGW-UHFFFAOYSA-N 354.454 3.264 0 1 FGAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 195338758 SWMLFRMOWVYIDT-UGSFDNJSSA-N 362.510 3.135 0 1 FGAF COc1cc2ncnc(NCCc3cccc(F)c3)c2c(OC)c1OC 96916397 PNDGRRNHNLUIMY-UHFFFAOYSA-N 357.385 3.449 0 1 FGAF CN(C)[C@H]1CC[C@H](Nc2ncnc3sc4ccc(C(N)=O)cc4c23)CC1 299821629 LDSJKMNCVRZHMR-JOCQHMNTSA-N 369.494 3.228 0 1 FGAF CC[C@@H]1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]12 39205535 METLQVFFFUYXNT-FQWGINHLSA-N 354.450 3.044 0 1 FGAF biogenic COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2 587385685 DVGQOIXKKMXUPD-ICSRJNTNSA-N 368.389 3.146 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOC4=O)cc1)[C@@H](C2)C3=O 587445369 WBWDHJFRKJLCNZ-KKSFZXQISA-N 365.385 3.315 0 1 FGAF Cc1cccc(-n2cnc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)n1 587874732 JDNIYUUZVDXXTO-UHFFFAOYSA-N 361.336 3.373 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806084 JBNHWLKBTACQLC-ZXLZKYRFSA-N 356.235 3.291 0 1 FGAF CN=c1nc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]s1 587207230 DJTSSJLXEKLWOB-UHFFFAOYSA-N 358.426 3.352 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2cccs2)N1 587848995 QQLKHIKQKXUCQC-PSLIRLAXSA-N 355.276 3.386 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCC(CO)CC3)cc1)O2 587394759 IREGLHBAHZCQAV-OAQYLSRUSA-N 366.461 3.492 0 1 FGAF Cc1ccc(NC2(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CCCC2)cc1 587237585 UYSDREBCVOYPBS-UHFFFAOYSA-N 370.478 3.400 0 1 FGAF CCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593674 MPHDWKZAXSVQDW-XLIONFOSSA-N 356.374 3.456 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3C)N1 587761007 SAPKVSRYHFTJFG-BMLIUANNSA-N 364.262 3.436 0 1 FGAF COC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587809646 SKHAHOUVVKWESC-BJOHPYRUSA-N 356.235 3.291 0 1 FGAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730260 MNODUOJBCUBNJV-GUYCJALGSA-N 366.339 3.012 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(Cn1nnc3ccccc31)N(C)[C@@H](C)C2 962632044 OKAQTDUZPBAJMO-QKKBWIMNSA-N 366.465 3.240 0 1 FGAF O=C(CCCCC1CCCCC1)OC[C@@H]1COCCOCCOCCO1 1772622872 FQHJZQANSGLIPM-IBGZPJMESA-N 372.502 3.119 0 1 FGAF COC(=O)CCC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 12025275 XPPRXMHTBIZHRU-ZDUSSCGKSA-N 351.830 3.023 0 3 FGAF COc1ccc(C2=NNC(=O)[C@@H]3CC=CC[C@@H]23)c2c1OC1(CCCC1)C2 13474148 NMGSQEBMRHQDOG-UKRRQHHQSA-N 352.434 3.359 0 1 FGAF CC(C)NC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H]1C)OCO3 13604062 AJCOKYMEMGRCGG-GFCCVEGCSA-N 366.421 3.245 0 1 FGAF Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CCNCC2)c1 15726923 QCRNCIJCJHPKOR-UHFFFAOYSA-N 367.478 3.357 0 1 FGAF COc1cc(C(=O)c2cccc(-c3cccnc3)n2)cc(OC)c1OC 1857553238 XIBDVGKMEXNEJM-UHFFFAOYSA-N 350.374 3.400 0 1 FGAF C[C@]1(c2nccc3cc4c(cc23)OCO4)Oc2ccc3c(c2O1)OCO3 1857629509 LPEUZMZLWYLQCY-IBGZPJMESA-N 351.314 3.336 0 1 FGAF O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]1C(=O)NCC13CC4CC(CC(C4)C1)C3)C21CC1 100041689 ZMKZREDEILLOIJ-XFFKYMOPSA-N 355.478 3.232 0 1 FGAF O=C1CSc2cc3c(cc2N1)OCC(=O)N3Cc1ccc(Cl)cc1 688076 WSYOGFDKUVSCTM-UHFFFAOYSA-N 360.822 3.310 0 1 FGAF C[C@@H]1CN2C(=O)CC[C@]34C5=CCC[C@@H]5CC[C@@H]5[C@H](O)OC[C@@]53CC[C@@H]1[C@H]24 2356420573 GNMRIAQESVHTAO-VFQMRSCFSA-N 357.494 3.105 0 1 FGAF O=C1OCC(=Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356389510 YBTVCUSZMGXJNW-UHFFFAOYSA-N 350.326 3.168 0 1 FGAF CCN(CC)c1nc(C(F)(F)F)nc2c1nnn2Cc1ccccc1 4966734 GXWIQNNKRPUWTM-UHFFFAOYSA-N 350.348 3.135 0 3 FGAF NC(=O)c1cc(N)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1 58592207 FXXFTLDQTUATSK-UHFFFAOYSA-N 362.311 3.119 0 1 FGAF O=C(O)C[C@H]1CCN(C2CCCCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356305942 VCYZFSVEBCSKFO-CABCVRRESA-N 356.470 3.246 0 1 FGAF CCCNC(=O)CSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40812460 SPZZQXFLVUPSCH-HODRHCGPSA-N 369.527 3.241 0 1 FGAF COc1ccc(-c2cn(-c3c(O)c(F)cc(F)c3F)nn2)cc1OC 28567683 BIOSLFWAZQUGMK-UHFFFAOYSA-N 351.284 3.074 0 1 FGAF Cc1cc2nc(CO[C@H]3CN(Cc4ccncc4F)C[C@@H]3F)[nH]c2cc1C 2356655959 CPQPBYUKNSJJPD-LPHOPBHVSA-N 372.419 3.453 0 1 FGAF COc1cccc2c1[C@H](OC)O[C@H]2c1c(O)ccc2c1C(=O)C[C@@](C)(O)C2 2356664100 ICVWZBRYEUFULN-NJYVYQBISA-N 370.401 3.045 0 1 FGAF CSc1cccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 36385824 GWJYUOZBJZFPMC-HXUWFJFHSA-N 356.535 3.477 0 3 FGAF CCNc1c(C(=O)N(CC)CC)c2nnc(C(C)C)n2c2ncccc12 38696510 LFQFRJVHLRZZBC-UHFFFAOYSA-N 354.458 3.315 0 1 FGAF CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN 72175939 FYGLQYNWOKXQFN-UHFFFAOYSA-N 363.461 3.423 0 1 FGAF CN1C(=O)N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223910 AHMWYDXFMUSDLV-AOMKIAJQSA-N 373.412 3.222 0 1 FGAF CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C)c1 40896107 AULQUOVVGUPXLG-UHFFFAOYSA-N 374.506 3.367 0 1 FGAF COc1ccc(C)c2c1N[C@](C)([C@]1(C)Nc3c(O)ccc(C)c3C1=O)C2=O 14649921 UKGKNTJQIKSVFU-RTWAWAEBSA-N 366.417 3.452 0 1 FGAF biogenic C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)C1 82142414 QVWUZAUQYDJQGY-ZIAGYGMSSA-N 354.454 3.359 0 1 FGAF CN1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C 143733872 NXOIRIOKSFLYAD-UHFFFAOYSA-N 356.376 3.195 0 1 FGAF COc1c(C)c(OCC=C(C)C)cc(COC(C)=O)c1COC(C)=O 238759337 SNXYJJNATJPGBF-UHFFFAOYSA-N 350.411 3.475 0 1 FGAF COc1cc2c(c(OC)c1OC)CCN[C@H]2Cc1cc2c(cc1C)OCO2 238769184 PEWLKZOAQJUFOD-INIZCTEOSA-N 371.433 3.179 0 1 FGAF CC(C)C[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C[C@H](C)N1 95581384 CZYUVYJLWVYZNM-KBPBESRZSA-N 368.460 3.372 0 1 FGAF CC(C)Oc1nccc2c1C(c1cc(C(=O)N(C)C)n(C(C)C)c1)=NC2 96175976 HSQPGACRWBVJIL-UHFFFAOYSA-N 354.454 3.304 0 1 FGAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2Cl)cs1 96916354 WAJOYLFIUDNKNM-JTQLQIEISA-N 367.839 3.144 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299874514 BNDMIFGDAPNZCD-LZLXCTOHSA-N 372.490 3.363 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587438441 PCVFOHFEIONQKR-VBKZILBWSA-N 359.422 3.068 0 1 FGAF N[C@@H]1CC[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C1 587247086 UXCAGSHSAZBQDF-NTSWFWBYSA-N 360.053 3.078 0 1 FGAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587800200 VVNUIFWMLFIXAS-AFCLKFOHSA-N 356.235 3.363 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586950420 GUGNFCIOXCWWOZ-UHFFFAOYSA-N 357.222 3.303 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755115 MDYVGUKDDCNFRC-GTNSWQLSSA-N 371.294 3.498 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc[nH]c2=N)N1 587707392 VGQXOJOIAFLKTD-QTTZVWFDSA-N 371.641 3.068 0 1 FGAF O=C1CSc2ccc(-c3nc4cncc(Br)c4[nH]3)cc2N1 587044529 XNWSYUQVTQZGPW-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@H]1N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587444866 RIECSUFDYYJGGX-OQHWTSBZSA-N 371.433 3.353 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(CCO)cc3[nH]2)cs1 587014662 WGYLJIFDWYTXLP-UHFFFAOYSA-N 374.466 3.246 0 1 FGAF CCOC(=O)COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398430 CSAAGXAXORYBGF-GOSISDBHSA-N 355.390 3.226 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)C1C(=O)CC(C)(C)CC1=O 963607375 JSNURBDJUPKZRH-QKVFXAPYSA-N 359.466 3.028 0 1 FGAF Cc1cc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1 1772652389 MWECZQIFJLXLKI-QGZVFWFLSA-N 372.432 3.001 0 1 FGAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1c1ccccc1)N1CC=CC1 13756481 FRAPXLCDNLJTFN-WHZJULEDSA-N 364.489 3.348 0 1 FGAF O=C1O[C@H](c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1 169347329 VLRIACDYQXMUBQ-SFHVURJKSA-N 357.841 3.448 0 1 FGAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4cncnc4)c32)cc1 1857755391 FQIQGMGFFPUEJA-UHFFFAOYSA-N 365.414 3.344 0 1 FGAF O=C(NN1C(=O)CS[C@@H]1c1ccccc1F)c1nsc2ccccc12 1857772980 YYVQCRAODLQBAZ-QGZVFWFLSA-N 373.434 3.354 0 1 FGAF CC(C)(O)CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 1857773891 XHAKQEHZYZWRLL-KRWDZBQOSA-N 358.390 3.213 0 1 FGAF COc1cccc2nc(C[C@@H]3CN(CC(C)C)CC[C@H]3CC(=O)O)[nH]c12 2356302672 LXHOMEONGIBPHH-LSDHHAIUSA-N 359.470 3.183 0 1 FGAF COc1ccc2nc(C[C@@H]3CN(C4CCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302675 MVHSHNQLKITKPX-ZIAGYGMSSA-N 357.454 3.079 0 1 FGAF CC(C)(Oc1ccccc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2 101117355 GIFJUNAMCWBYRP-TUTFJTQRSA-N 357.450 3.240 0 1 FGAF CN1CCN(c2ncnc3sc(Nc4ccc(Cl)cc4)nc23)CC1 103287360 XBNFKAJLSRWMJV-UHFFFAOYSA-N 360.874 3.235 0 1 FGAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cncnc2)cc1 100114489 IAEUAZVJGHQGML-JKHIJQBDSA-N 356.473 3.392 0 1 FGAF CN1CCN([C@H]2Cn3c(CO)ccc3Sc3ccc(Cl)cc32)CC1 22930406 QBPQVMUTULJKKG-INIZCTEOSA-N 363.914 3.087 0 1 FGAF CCN(CC)[C@H](C)CCN1C(=O)C[C@]2(CCCc3cc(OC)ccc32)C1=O 27618165 SAKMFRUGJVRBKD-ZHRRBRCNSA-N 372.509 3.149 0 1 FGAF CC=C(C)C(=O)OCOCC=Cc1cc(OC)c(OC(C)=O)c(OC)c1 2356611122 KFXQGQPYRLXSLU-UHFFFAOYSA-N 364.394 3.126 0 1 FGAF COc1ccc(-c2nc3ccc(C(=O)O)cc3nc2N(C)C(C)C)cn1 116232467 ZVNLQQKGXZSVPV-UHFFFAOYSA-N 352.394 3.243 0 1 FGAF COc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc1 34640955 PCIIJXPELZPHAW-IBGZPJMESA-N 362.385 3.499 0 1 FGAF O=C(CNc1nc(-c2cc3ccccc3o2)cs1)NC[C@H]1CCCO1 82193713 YOWDDZYZOXLYMH-CYBMUJFWSA-N 357.435 3.263 0 1 FGAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(O)cc3)C2)c1)C(=O)O 40937972 FWRDAAGGAAIUDI-MOPGFXCFSA-N 355.390 3.290 0 1 FGAF COCCn1c(-c2ccoc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185534 DWGTWXSNVHLXRF-UHFFFAOYSA-N 367.384 3.484 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccsc3)sc12 136872519 LCAGMBOQRJACFN-NSHDSACASA-N 358.492 3.288 0 1 FGAF Cc1cccc(C)c1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565865 WCVYQUIYVMVZQB-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(O)cc1 95571759 JASSRXGGQJSWTJ-CQSZACIVSA-N 362.765 3.188 0 1 FGAF O=C(NCc1cccc(Cn2cccc2C(=O)O)c1)NC1CCCCC1 95573908 SKMDZCBQAQZGGB-UHFFFAOYSA-N 355.438 3.367 0 1 FGAF O=C(NCc1ccc(Cn2cccc2C(=O)O)cc1)NC1CCCCC1 95571665 CRXYBKKCRAZEIO-UHFFFAOYSA-N 355.438 3.367 0 1 FGAF COC(=O)c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 618007256 PZXBEYHZQJJVJN-CQSZACIVSA-N 358.785 3.390 0 1 FGAF Cc1cccc(CN2CCN(c3nc4cccnc4nc3NC3CC3)CC2)c1 653682123 BLNRBGPFNKBKAM-UHFFFAOYSA-N 374.492 3.230 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cnccn23)N1 587772293 FHDUQTZWPITNAP-JDNHERCYSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587419417 DYWDMWTXBKEJFH-DJJJIMSYSA-N 356.761 3.301 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cccnc12 587587261 NGJBJKZYYTWRNY-UWJYYQICSA-N 361.353 3.427 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587596454 VRGREYSFRAHWRJ-PCMMCCAGSA-N 368.385 3.312 0 1 FGAF Cc1ccnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587118054 JEVCHHILAFYVJC-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF N=C(N)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007044 KYNGHYQCRPIWHL-UHFFFAOYSA-N 355.199 3.153 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766682 HIIYWQQTSPSVBP-GTNSWQLSSA-N 369.278 3.350 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587783611 WVDWGMOHZGTHLH-UHFFFAOYSA-N 350.353 3.270 0 1 FGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cl)cn2)N1 962966864 AULDFAFIRWYEKZ-FZMZJTMJSA-N 359.159 3.355 0 1 FGAF O=c1[nH]c(Nc2ccc(Br)c(C(F)(F)F)c2)nc2[nH]cnc12 5542911 ROEZOUAAJLSGAV-UHFFFAOYSA-N 374.120 3.171 0 1 FGAF CC(C)(Cc1ccc(O)cc1)NC[C@@H](O)COc1cccc2[nH]ccc12 5357240 CSBHABXERVDLKA-QGZVFWFLSA-N 354.450 3.224 0 1 FGAF COc1cc2c(cc1OC)[C@H]1[C@@H](COC(=O)Nc3ccccc3)CN1CC2 5842636 KXDJOUNIDKLAMT-FOIQADDNSA-N 368.433 3.482 0 1 FGAF CN(CCc1ccccn1)c1ncccc1CNC1CSCCSC1 12448541 BCCOOZDZGVDYPA-UHFFFAOYSA-N 374.579 3.094 0 1 FGAF CN(C)c1ccccc1C[S@@](=O)c1nc2c(n1-c1ccccn1)CCC2 13746057 JJZPVGHKJMJYRQ-SANMLTNESA-N 366.490 3.130 0 1 FGAF COc1ccc(Cn2ccc3cc(Oc4cc(CN)ncn4)ccc32)cn1 1857617744 AMKPUOXCPRGCPD-UHFFFAOYSA-N 361.405 3.134 0 1 FGAF O=S(=O)(c1ccc(O)c2ncccc12)N1CC[C@H](c2ccc(F)cc2)C1 1857633391 CLSBPBKRROYZMM-AWEZNQCLSA-N 372.421 3.258 0 1 FGAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4nccn4C)c32)cc1 1857763670 AVYVBGDADLIVQU-UHFFFAOYSA-N 367.430 3.287 0 1 FGAF O=C1O[C@@H](COc2ccccn2)CN1c1ccc(C2=CCOCC2)c(F)c1 3962739 JOMUVXHKIXKHGF-MRXNPFEDSA-N 370.380 3.429 0 1 FGAF CCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 6411602 SBFXCSQKDQEOCY-UHFFFAOYSA-N 353.462 3.340 0 1 FGAF COc1ccc([C@@H]2CCN(c3nncc(-c4ccc(C)o4)n3)C2)cc1O 103227052 NSTDQODDOHVJED-CQSZACIVSA-N 352.394 3.148 0 1 FGAF Cc1cccc2c1-c1sc(C(=O)NCCCN3CCOCC3)cc1CO2 20355756 XCEXKXZFEINDSY-UHFFFAOYSA-N 372.490 3.068 0 1 FGAF O=C(c1nc2ccccc2s1)[C@H]1CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 28397724 PPXMXPNQGMHBDU-DARAHFNDSA-N 369.490 3.001 0 1 FGAF O=C(Nc1nccs1)C(Br)(C(F)(F)F)C(F)(F)F 68574010 DHRWGSPUGNOOPI-UHFFFAOYSA-N 357.073 3.340 0 1 FGAF biogenic COc1cc(-c2[nH]c(=O)oc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 26827344 ZXWIWONBCNTUGM-UHFFFAOYSA-N 371.345 3.056 0 1 FGAF CC(=O)O[C@@H]1CO[C@@H]2C3=C[C@@H]4OC(=O)[C@]5(C)CCC[C@](C)([C@@H]3CC[C@@]12C)[C@H]45 2356824805 GYYXRBVTJTWJGT-QYMWSKFSSA-N 374.477 3.411 0 1 FGAF COc1ccc(NC(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 1911571520 IPXGBJBXPNSNFW-FQEVSTJZSA-N 357.454 3.094 0 1 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(C)cc(C)c2)C1 36380852 HOXIKLOUTXWSGT-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF N=C(N)c1ccc(-c2ccc3cc(-c4cc(C(=N)N)ccn4)[nH]c3c2)cc1 71294573 LCWBZFJMGCFVFE-UHFFFAOYSA-N 354.417 3.465 0 1 FGAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] 71317865 PIRCHMJUFZKCGH-UHFFFAOYSA-N 368.698 3.010 0 1 FGAF CSc1ccnc(NCc2ccc(CNc3ncc(F)cn3)cc2)n1 72109813 SOYKFZFLKMNMEH-UHFFFAOYSA-N 356.430 3.352 0 1 FGAF COC[C@@H](C)OC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N 96929329 QMBCBWXRDZUQKO-SNVBAGLBSA-N 351.424 3.206 0 1 FGAF CO[C@@H]1C[C@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 36453050 VNVXZDRVVHCQPB-XFBWCDHKSA-N 350.370 3.144 0 1 FGAF biogenic CC(C)N1CCN([C@H]2CCCn3nc(COc4ccccc4)cc32)CC1 299835325 DIYRDYBGBSZOCO-FQEVSTJZSA-N 354.498 3.323 0 1 FGAF COc1ccc(CCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(OC)c1 587929565 XBQMORCQMFKRKO-UHFFFAOYSA-N 352.394 3.337 0 1 FGAF COC(=O)c1ccnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 587148022 FCFGRDDOTJPPLZ-UHFFFAOYSA-N 369.331 3.090 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(OC)c3[nH]2)c1 586929850 BKYOCROOMRSEAG-UHFFFAOYSA-N 359.451 3.269 0 1 FGAF COC(=O)c1ccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2c1 587157227 YCEJIISMZFAVKQ-UHFFFAOYSA-N 366.352 3.350 0 1 FGAF Cc1nonc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345431 JAGLTKCIFNIPJV-VQIMIIECSA-N 354.337 3.497 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1nccn1C)[C@@H](C2)C3=O 587431691 QKIFHKRYYQLEAK-HTAPYJJXSA-N 360.413 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C1/SCC(=O)N1C)(C(C)(C)C)[C@@H](C2)C3=O 587449560 BNSUVXFOEOGCNX-BUFWUQRLSA-N 373.474 3.274 0 1 FGAF NC(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 587243930 UIVQFROHXRJQEJ-UHFFFAOYSA-N 350.151 3.017 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CN(Cc3ccccc3)CCO1)O2 587395539 OCTBSLHZWVPWNI-RBBKRZOGSA-N 366.461 3.202 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCCO)c(C)c1)[C@@H](C2)C3=O 587439638 BYPRIAHERWIDMX-HRAATJIYSA-N 354.402 3.172 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4nncn4C)o1)[C@@H](C2)C3=O 587451660 LFLIPLUYQVHXEU-GTNSWQLSSA-N 369.402 3.057 0 1 FGAF Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2cccc(F)c12 587635517 JDDDGGHRWXNWPY-UHFFFAOYSA-N 351.385 3.289 0 1 FGAF CCCn1c(=O)c2[nH]c([C@H](C)Cc3ccccc3)nc2n(CCC)c1=O 12405289 MFDOIDPESZOBLK-CQSZACIVSA-N 354.454 3.053 0 1 FGAF COc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1O 13554003 ASLSBHINEFFCIB-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF CC1=NC[C@H](c2cn(S(=O)(=O)c3cccs3)c3ccc(C)cc23)N1 1857540801 WKTZUHBCQBTTDQ-OAHLLOKOSA-N 359.476 3.311 0 1 FGAF COc1cc(C(=O)c2cnn(-c3ccc(C)cc3)c2N)cc(OC)c1OC 1857765412 KTYHGPSHIGRREO-UHFFFAOYSA-N 367.405 3.020 0 1 FGAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 767868 VVJSLQNHUWABLE-ICSRJNTNSA-N 361.401 3.270 0 1 FGAF O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)C(F)(F)F)C1CC1 1365930 MUUQCTRJVGTFKT-AWEZNQCLSA-N 358.360 3.323 0 3 FGAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@@H]1c1cn(C)c2ccccc12 2468747 OZTQFMXYOAPQEC-SFTDATJTSA-N 373.456 3.367 0 1 FGAF O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 6803980 QKPKNBMBLXDGRR-GOSISDBHSA-N 369.852 3.233 0 1 FGAF COc1cc(Br)cc(-c2nn(C(C)C)c3ncnc(N)c23)c1 8581902 FXCRGRHHHOSJRE-UHFFFAOYSA-N 362.231 3.428 0 1 FGAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289529 WVKVMRFBOVMGAX-ONTIZHBOSA-N 372.509 3.186 0 1 FGAF Cc1ccc([S@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCO)cc1 102790418 BBSZJJCBEJPHIL-XMMPIXPASA-N 367.858 3.204 0 1 FGAF CCCc1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl 103185253 WLODEAJUNAPUCW-UHFFFAOYSA-N 353.757 3.149 0 1 FGAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1 118619826 SOMLCVOFFCJGNU-SJORKVTESA-N 361.380 3.094 0 1 FGAF COc1c(C(=O)Nc2nn[nH]n2)oc2c3ccccc3n(-c3ccccc3)c12 29395377 UOCRBEBVQFQIKZ-UHFFFAOYSA-N 374.360 3.151 0 1 FGAF CC=C(CC)c1c(O)cc2c(c1O)[C@H](O)[C@H](O)[C@H](c1ccc(O)cc1)O2 2356430480 LNOFDVSWGARPID-UFYCRDLUSA-N 358.390 3.145 0 1 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=S)N1 73311572 XLIBRUYPNKZAQR-KRWDZBQOSA-N 360.479 3.309 0 1 FGAF O=C(c1ccccc1F)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 74377440 AWMLGLFYTQMFOP-NHYWBVRUSA-N 362.763 3.493 0 3 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccc(F)cc3)[C@H]1C2 72177383 QPOVAXRQPIMWFQ-KSSFIOAISA-N 371.437 3.020 0 1 FGAF C[C@H](Nc1ncc2nc(Nc3ccccc3Cl)n(C)c2n1)C(C)(C)O 40812541 JGCHMAVHEHYPGC-JTQLQIEISA-N 360.849 3.332 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)c2c1 221130998 XEKKNQJVQFYNFG-GASCZTMLSA-N 365.437 3.175 0 1 FGAF CCC[C@H]1Oc2ccc(Br)cc2[C@@]2(C=C(N)OC2)C12COC2 220712799 RUHVORVUASWLJD-ZBFHGGJFSA-N 366.255 3.095 0 1 FGAF COc1cc([C@@H]2Oc3c(OC)cc([C@@H](O)[C@@H](C)O)cc3[C@H]2C)ccc1O 142006897 ATJXKALKESRMIG-QTOPZTEFSA-N 360.406 3.061 0 1 FGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC3CC3)[C@H]2CNC(C)C)cc1 95798284 GHPUJPOEQCJUEO-GYULUYITSA-N 356.510 3.173 0 1 FGAF COc1cc2c(cc1C(=O)[C@H](O)Cc1ccc(O)cc1)C=CC(C)(C)O2 43078871 CSJQGXKXWYTHHQ-QGZVFWFLSA-N 354.402 3.371 0 1 FGAF biogenic C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O 299835243 WOEBDBHQIKUGLD-AWEZNQCLSA-N 373.412 3.446 0 1 FGAF COc1ccc(OC)c(Sc2ccc3nnc(-c4cccnc4)n3n2)c1 299827454 FTRLBZPMRZYJES-UHFFFAOYSA-N 365.418 3.355 0 1 FGAF COc1c(C)cc(O)n1-c1cc(Br)cnc1Br 587941953 ZODWVEAQDZHECX-UHFFFAOYSA-N 362.021 3.420 0 1 FGAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1Oc1ccccc1 587440690 CHMNBYZJYXARFH-LVOPCWDJSA-N 366.413 3.438 0 1 FGAF C=C1NC(=O)NC=C1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789097 AAZIREZRTPPFKC-BCTVWOGZSA-N 366.234 3.048 0 1 FGAF CN(CCO)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587507088 RMRZKSVHNZJPQU-IBGZPJMESA-N 352.434 3.095 0 1 FGAF COC(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396024 IQIAJWTWRYAHSN-HXUWFJFHSA-N 350.374 3.092 0 1 FGAF Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCO5)cccn12 587006922 DSXWOPNXGNNWHY-UHFFFAOYSA-N 357.167 3.369 0 1 FGAF Brc1c[nH]c2nc(-c3csc([C@@H]4CCCO4)n3)nc-2n1 587016039 FFJGTDCVRSDBLL-ZETCQYMHSA-N 352.217 3.042 0 1 FGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3C3(CSCCSC3)N12 962666141 MGZTYHFXIJELTF-IBGZPJMESA-N 374.531 3.009 0 1 FGAF Brc1cccc2c([C@H]3NCCc4nc5ccccn5c43)n[nH]c12 962987220 VGBFESZFPGHYKC-MRXNPFEDSA-N 368.238 3.208 0 1 FGAF O=C([C@@H](Cc1ccccc1)n1cccc1)N1CCN(c2ccccn2)CC1 5055353 GVUWQQBRZPLUME-HXUWFJFHSA-N 360.461 3.016 0 1 FGAF O=C(Nc1ccc2c(c1)CN(C(=O)Nc1cccs1)CC2)[C@@H]1CCCO1 12464837 YBUJWZSKYCNYEO-INIZCTEOSA-N 371.462 3.456 0 1 FGAF O=C(c1cccnc1)[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 12574932 RKUXXDFKIJIWSX-SFHVURJKSA-N 362.433 3.150 0 3 FGAF COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 13594035 VVTAGMYEZOKZQW-INIZCTEOSA-N 370.449 3.237 0 3 FGAF COc1ccc([C@H]2Oc3c(OC)cc([C@@H](O)[C@@H](C)O)cc3[C@@H]2C)cc1OC 15112195 CPAGSSOMSLQZRD-YLYZPZNOSA-N 374.433 3.364 0 1 FGAF biogenic,in-vitro CCCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169304282 RWBGTUPTUTZUOU-DWMKTLHXSA-N 369.505 3.452 0 1 FGAF Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2nc(O)c(C)s2)n1 169693083 YQEUXPFCDQGIKB-UHFFFAOYSA-N 364.374 3.005 0 1 FGAF CN(C)CCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164768633 MVHVZGFRFYBSBT-UHFFFAOYSA-N 362.437 3.346 0 1 FGAF O=C(O)C1CCN(C(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC1 164832021 OHSXAIZKNGOSCA-UHFFFAOYSA-N 367.380 3.306 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3c(cc(O)c(OC)c3OC)CN1CC2 1857553348 NBSPNGNYACXYLH-INIZCTEOSA-N 371.433 3.082 0 1 FGAF CN1C(=O)[C@](O)(CC(=O)c2cc3c4c(cccc4c2)CC3)c2ccccc21 1857634487 ZHKCDTRBTLLFSK-QHCPKHFHSA-N 357.409 3.375 0 1 FGAF Nc1[nH]c(=NCCc2ccc(O)cc2)nc2sc(-c3ccccc3)nc12 1857751831 QRUMXLQAAAQLDF-UHFFFAOYSA-N 363.446 3.118 0 1 FGAF C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 103257153 OCTUFPUUGSGQDM-GFCCVEGCSA-N 355.825 3.387 0 1 FGAF Fc1ccc(CCOc2cncc3nnc(N4CCCCC4)n23)cc1F 103302999 ZKHZGOFEMNTIFA-UHFFFAOYSA-N 359.380 3.014 0 1 FGAF Cc1ccc(-c2cc(NO)c(C(=O)NCc3ccccc3)c(=O)o2)cc1 103238522 LPOLHPYVYQCHHZ-UHFFFAOYSA-N 350.374 3.346 0 1 FGAF O=C(O)CCCCOc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 29335207 YBNCNZQHPUETCA-UHFFFAOYSA-N 367.401 3.159 0 1 FGAF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 28127618 UUKXEUOIYIJCFT-FZMZJTMJSA-N 372.391 3.060 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]21 2356603894 OMIIAMVKAQNJCI-JBKJTYPVSA-N 360.494 3.213 0 1 FGAF C[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@@H]21 2356627577 NFHFNBFYZIJLKZ-VUEDXXQZSA-N 368.385 3.393 0 1 FGAF C[C@H](O)CC(=O)c1c(O)ccc([C@@H]2C[C@H](C)Oc3cccc(O)c32)c1O 2356720407 ZBJNIZLABZVQSD-GVXVVHGQSA-N 358.390 3.060 0 1 FGAF Brc1ncnc2c1ncn2C[C@H]1COc2ccccc2S1 72178141 RSDHAMHPUAHNSB-VIFPVBQESA-N 363.240 3.142 0 1 FGAF COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C 34278020 QGQIJWWZXDOPIH-KYBYJQFFSA-N 364.482 3.252 0 1 FGAF Nc1ccc(-c2ccc(C3CCC3)c(Oc3cc(=O)[nH]cn3)c2F)nn1 224547400 JZQXEPZTBWPBBV-UHFFFAOYSA-N 353.357 3.008 0 1 FGAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cccc(OC)c2c1=O 49055551 NECFWSOYBYDYKF-UHFFFAOYSA-N 353.374 3.389 0 1 FGAF Cc1ncccc1-n1c(/C=C/[C@H]2CS[C@@H](C)N2)nc2ccccc2c1=O 89456640 WBWAZJZTZKCTRD-CWCINCBISA-N 364.474 3.153 0 1 FGAF O=C(N[C@H]1N=C(C2CCCCC2)c2ccccc2NC1=O)c1ccco1 40764380 SLEIAFMHUCVJJA-GOSISDBHSA-N 351.406 3.357 0 1 FGAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C1CCCC1 95667080 JZGLCSRVPPDZCF-YPAWHYETSA-N 368.521 3.367 0 1 FGAF Cc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1 98208161 IQNRYHOPUGEBMI-UHFFFAOYSA-N 350.387 3.349 0 1 FGAF in-vitro COc1[nH]c(O)c(C(=O)[C@H](C)C[C@H](C)C(C)(Cl)Cl)c(=O)c1OC 142344753 NTZLCVPFRJTASX-SFYZADRCSA-N 366.241 3.137 0 1 FGAF in-vivo C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)(F)F)C1 96270803 QEKANLQOSSFFGI-VWYCJHECSA-N 367.375 3.211 0 1 FGAF O=S(=O)(Nc1cc(OC(F)(F)F)cc2cccnc12)c1cccnc1 141818802 AROVCJYIWZVUEF-UHFFFAOYSA-N 369.324 3.329 0 1 FGAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4OC)n3c2c1 95597418 HXWSGMZHUJKHOE-UHFFFAOYSA-N 361.405 3.011 0 1 FGAF O=C(CCCCN1CC2(COC2)C1)Nc1ccc(-c2cccnc2)cc1 299862779 NYOGZFMQQAQVDF-UHFFFAOYSA-N 351.450 3.190 0 1 FGAF Cc1cncc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657018 QCNMWGHKHUVZFO-UHFFFAOYSA-N 350.328 3.429 0 1 FGAF COC(=O)[C@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587390692 NCDQRGDKAKACFW-OAQYLSRUSA-N 364.401 3.103 0 1 FGAF CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 587580925 JXJFZBOMPBXTFI-LPHOPBHVSA-N 365.389 3.442 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1OC 587125060 QEFKJRLWDDVZIY-UHFFFAOYSA-N 363.320 3.064 0 1 FGAF COc1cccc2cc3c(nc12)[C@@]1(CCN2Cc4ccccc4N[C@@H]21)NCC3 963049829 AYJUKSZCQQDXAG-XZOQPEGZSA-N 372.472 3.242 0 1 FGAF O=C1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]1CN1CCCC1 13449287 VLCZPJCZGGIWLQ-INIZCTEOSA-N 369.292 3.192 0 1 FGAF CCCCS(=O)(=O)/C=C/[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1S(=O)(=O)CCCC 4481708 JXCBAZUXWWKMNG-PQRPPIIVSA-N 360.541 3.121 0 1 FGAF Nc1nnc(SCC(=O)OCc2ccc(Cl)c(Cl)c2)s1 3356898 NSUWUJLJBKHJCD-UHFFFAOYSA-N 350.252 3.263 0 3 FGAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@H](OC(C)C)N1C 103217834 YAVYJNPMLOVTSN-INIZCTEOSA-N 368.865 3.479 0 1 FGAF CC(C)N(C(=O)C12[C@H]3C4C5[C@H]3C1(C(=O)N(C(C)C)C(C)C)[C@H]5[C@H]42)C(C)C 102940191 GJEVPNNDIBPZIY-VQTPUVSDSA-N 358.526 3.015 0 1 FGAF Cn1cc(CN2CCOc3ccc([C@@H](O)C4CCCCC4)cc3C2)cn1 55036546 GVOHYDWVDMUMJE-NRFANRHFSA-N 355.482 3.428 0 1 FGAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@H]2c1cccnc1 102567589 YSXVYXGZUZSTKR-COOUDCDJSA-N 358.423 3.343 0 1 FGAF O=C1NCCc2[nH]c(-c3cccc4ccc(NC5CCOCC5)nc34)cc21 222404868 PVPKHHBPGARBMQ-UHFFFAOYSA-N 362.433 3.107 0 1 FGAF CCCCC[C@@H](O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)O 85588911 WRFBDEURXXFJRY-WYMHFOEZSA-N 354.487 3.353 0 1 FGAF endogenous,in-man Nc1cccc(Nc2ncnc3c2ncn3CCOc2ccc(F)cc2)c1 40874466 HNKUFSCJHWXZBE-UHFFFAOYSA-N 364.384 3.370 0 1 FGAF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)[C@H]1O2 220282879 XPQRLOPRRFSPJA-HXUWFJFHSA-N 350.374 3.275 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ncccc3Cl)CC2)c1 95571021 RUEAOOIMRRHWHE-UHFFFAOYSA-N 361.902 3.266 0 1 FGAF COc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 95561538 MOLNIOLUYWYEEE-UHFFFAOYSA-N 361.405 3.137 0 1 FGAF C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)O1 238789758 DCLAGIMGOADQIA-DIEDAUMRSA-N 358.390 3.399 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-n2ccnc2)nn1 587871458 HURTUNUVIPQOSI-UHFFFAOYSA-N 350.357 3.053 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(Cc3ccccc3)c1C)O2 587389363 AGTFEOKXNRNNSH-NRFANRHFSA-N 362.433 3.406 0 1 FGAF CN1CCC(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580858 FEJGQGALIBPODP-RTBURBONSA-N 353.418 3.454 0 1 FGAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(S)nc(S)nc3[nH]2)n1 587119765 WSRZDCDTIIJDON-UHFFFAOYSA-N 372.401 3.071 0 1 FGAF Oc1cc(Cc2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587944464 GXNBCNOMSGSBHH-UHFFFAOYSA-N 368.412 3.399 0 1 FGAF Cc1nc2[nH]c(CC(=O)OCc3ccccc3)nc2cc1Br 587781837 NYZBTPDTQAHXDT-UHFFFAOYSA-N 360.211 3.315 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1N1CCOCC1)O2 587379894 MFVIAUJUPOOWBD-INIZCTEOSA-N 373.840 3.169 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 587787971 YKTBXPXULSBNSL-VBQJREDUSA-N 350.378 3.230 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(Cl)cc(C(=O)O)c3)c3cccc1c32 963039587 YMMDROWKNAEWNT-XIKOKIGWSA-N 356.809 3.181 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(O)[nH]c3cc(Cl)ccc23)N1 962905389 PPCSSQFXRREBKX-GOEBONIOSA-N 360.772 3.354 0 1 FGAF CNCCCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772634907 DLNPYFFPGZYRGE-UHFFFAOYSA-N 355.390 3.250 0 1 FGAF O=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 13449240 FACSGCXGQDFEDR-CQSZACIVSA-N 369.292 3.192 0 1 FGAF Cc1ccccc1-n1c(N2CCN(C)CC2)nc2c(Cl)cccc2c1=O 1857590830 QCCJQRBUEVYPAI-UHFFFAOYSA-N 368.868 3.099 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@H]1C[N@]1Cc1cnc2ccccc2c1 1857742858 RSCCYLZMGZEXKU-PWECECGKSA-N 362.355 3.250 0 1 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O 6425232 QNFAHNYDCZHOBF-UHFFFAOYSA-N 366.461 3.447 0 1 FGAF OC[C@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 6475920 TWEONIHFGKSPLC-MRXNPFEDSA-N 360.417 3.057 0 1 FGAF in-vivo CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26389084 YJLVMNYHBPCQKV-KBUJZQQDSA-N 358.526 3.378 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc2oc(-c3ccccc3)cc(=O)c2c1 29551339 ITDMHOZFKJXHSK-MRXNPFEDSA-N 353.418 3.198 0 1 FGAF Cc1cc([C@@H](O)[C@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)ccc1O 28952029 CYEOKZJIXIYTOM-YWZLYKJASA-N 359.441 3.245 0 1 FGAF CCCC(=O)N1CCC(c2cc(Cc3ccc(OC)cc3)nc(N)n2)CC1 28761968 DCSQIFMAROZESO-UHFFFAOYSA-N 368.481 3.164 0 1 FGAF O=C(NCc1ccccc1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356464568 OHDFARQTUAAMRL-QGZVFWFLSA-N 351.406 3.127 0 1 FGAF CCC[C@H](C[C@@H](CCc1ccc(OC)c(O)c1)OC(C)=O)OC(C)=O 2356616431 WUXDXKPKJWWNDQ-IAGOWNOFSA-N 352.427 3.387 0 1 FGAF CC[C@H](C)CNC(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1 27557881 RATDZOGGTIZXPX-FUHWJXTLSA-N 361.486 3.168 0 1 FGAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CNCC(C)C)O3)no2)cc1 2356730478 KHZRTVWGONVOET-QKNQBKEWSA-N 374.481 3.047 0 1 FGAF Cc1ccccc1-c1cc(C(=O)O)n(C[C@H]2CC(c3cccnc3)=NO2)n1 36387812 KXBOVQQXCMVUCL-OAHLLOKOSA-N 362.389 3.145 0 3 FGAF CN1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3)nc(N)n2)CC1 45339877 COWYWYMPDUMYOA-UHFFFAOYSA-N 374.492 3.090 0 1 FGAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3F)O2)cc(OC)c1OC 40762938 ZGAAGUVWGGGYLY-IBGZPJMESA-N 374.368 3.091 0 1 FGAF CCS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O 42890359 KVRVVJIQXOFRFX-HJWRWDBZSA-N 369.240 3.401 0 1 FGAF O=C(NCCF)c1ccc(Nc2ccnc(-c3cccnc3)n2)cc1F 221581139 DXQNVTPCKNLEJB-UHFFFAOYSA-N 355.348 3.121 0 1 FGAF CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1 45495419 DLMOCBVVFUSPIJ-UHFFFAOYSA-N 366.508 3.171 0 1 FGAF COc1cc(OC)c(C[C@@H](Cc2ccc(O)c(OC)c2)OC)c(OC)c1 238785440 VXOTURNUCJNHEU-CQSZACIVSA-N 362.422 3.227 0 1 FGAF NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2CO)c1 96273129 UHSYILGCPURHCK-UHFFFAOYSA-N 368.433 3.366 0 1 FGAF CCOC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 95601296 NNWMSEOFPKIYMB-LJQANCHMSA-N 371.458 3.312 0 3 FGAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3N=CNC(=O)[C@H]32)cc1 253883953 QJQREYVFCQOAIW-UZKOGDIHSA-N 358.397 3.473 0 1 FGAF O=C(COc1cccc(F)c1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257207278 BHBPIABHKHPNFE-QGZVFWFLSA-N 354.385 3.001 0 1 FGAF CCn1c(NC(C)C)nc2c([C@H]3CCCN(C(C)=O)C3)csc2c1=O 299869867 VNAHXSARBLNPNV-ZDUSSCGKSA-N 362.499 3.024 0 1 FGAF CC(C)Oc1cc2nc([C@H]3CSCC(=O)N3)[nH]c2cc1Br 587044543 XYTCTDOASNOYBH-LLVKDONJSA-N 370.272 3.017 0 1 FGAF CC[C@H](C)c1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 587554657 MJFVELAISHCXTL-NSHDSACASA-N 352.394 3.131 0 1 FGAF C[C@@]1(c2csc(=N)[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609732 DCMLBCRSKOJIBQ-KDOFPFPSSA-N 354.387 3.138 0 1 FGAF CC(C)(n1cncn1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581525 LUITXZBKIYSDHP-UZLBHIALSA-N 365.389 3.139 0 1 FGAF COc1ccc(F)c(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1 11948897 YMFNZKFVQIDAFQ-NRFANRHFSA-N 362.489 3.301 0 1 FGAF O=C1O[C@H](Cn2cc[n+]3c2CCC3)CC1(c1ccccc1)c1ccccc1 13651199 AIEDHGFQQYNUFP-FQEVSTJZSA-N 359.449 3.024 0 1 FGAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2cccc(F)c2)cc1)C(F)(F)F 13760207 GQTVIGRRCJRTBX-INIZCTEOSA-N 355.287 3.309 0 1 FGAF O=C(c1ccccc1F)c1cn(CCN2CCOCC2)c2ccccc12 13820992 ZNDVLYAWTQAWSE-UHFFFAOYSA-N 352.409 3.344 0 1 FGAF COc1ccc(S(=O)(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 13835563 VBPNIRNKMDDCEE-UHFFFAOYSA-N 360.387 3.186 0 1 FGAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](O)CC2)cc1 169307761 LZROSQIXTNQBAQ-OTVXOJSOSA-N 352.438 3.369 0 1 FGAF COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCNCC2)c1 206067980 VJWOLSSJJWQDAS-UHFFFAOYSA-N 359.857 3.006 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)ncc12 209357071 FVRKRXNHPFBYBK-KRWDZBQOSA-N 363.377 3.471 0 1 FGAF Cc1nc(O)c2c(CO)nn([C@@H](C)c3ccc(C(F)(F)F)c(F)c3)c2n1 1857753522 AUFVSAPDUDVYEL-ZETCQYMHSA-N 370.306 3.100 0 1 FGAF CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758425 VIBLEBJCLSSHGV-GOSISDBHSA-N 352.434 3.436 0 1 FGAF CC(=O)c1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587153 WMFXCLIIWDFETB-UHFFFAOYSA-N 367.449 3.400 0 1 FGAF COc1ncc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)s1 66258301 YQRBEYZHUYHXEE-UHFFFAOYSA-N 365.528 3.125 0 1 FGAF COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)cc1OC 14643942 SUPFYYVLYHYYGM-ZDUSSCGKSA-N 360.362 3.133 0 1 FGAF biogenic CCCn1ncc2cc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)ccc21 143515940 STEIRXYWXOEFEI-UHFFFAOYSA-N 374.404 3.413 0 1 FGAF CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1ccc(O)c(N)c1 96934800 FQMLPINNAFIFDA-MRXNPFEDSA-N 374.238 3.435 0 1 FGAF CCN1C(=O)C(c2ccc(F)cc2)=C(c2ccc3c(c2)NC(=O)CO3)[C@@H]1C 96283370 PORRNAABVGMIRR-LBPRGKRZSA-N 366.392 3.318 0 1 FGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C)[C@@H](O)C[C@@H]2[C@@]1(C)CO 238781038 UDWJHJCNPWCOTJ-OFFHYKNXSA-N 362.510 3.460 0 1 FGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)[C@H]2CNC(C)=O)cc1 95871681 PRTROCUUXQRZCB-NTRRRUBNSA-N 356.510 3.175 0 1 FGAF COc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2N)cc1 33835588 NAVLFLWMOIRLJG-UHFFFAOYSA-N 353.422 3.130 0 1 FGAF biogenic c1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCO4)CC2)cc1 299831013 ZSHNTSHVTOYHHK-UHFFFAOYSA-N 366.505 3.251 0 1 FGAF Nc1ncc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cn1 299826327 FUCZCGBIDHYJRU-UHFFFAOYSA-N 358.361 3.441 0 1 FGAF COc1cc(N2CCC(N(C)Cc3c(F)cccc3Cl)CC2)ncn1 299864480 RKCKTNKNUUJHFQ-UHFFFAOYSA-N 364.852 3.379 0 1 FGAF COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1O 653721395 KFDORXQXHFHCDC-UHFFFAOYSA-N 371.389 3.134 0 1 FGAF O=C(c1ccc(O)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613576 ZMLRGJWNYGXMBS-UTKZUKDTSA-N 362.337 3.311 0 1 FGAF CCOC(=O)C[C@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587511262 FTHTYWCWZGQXDC-NRFANRHFSA-N 368.433 3.113 0 1 FGAF C[C@@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)n1cccn1 587923752 KXYJCJPGRZCJOV-LBPRGKRZSA-N 362.480 3.182 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(=N)[nH]cc21 587468112 AWLCSUOVNMGPNH-OAQYLSRUSA-N 367.449 3.380 0 1 FGAF COc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587093737 GJFIFEMHGQRWAM-CQSZACIVSA-N 357.357 3.329 0 1 FGAF Cc1cccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587203462 QJXQIJRNNSJKSE-OAHLLOKOSA-N 353.378 3.314 0 1 FGAF CCOC(=O)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587515954 SBNGWUKWVBNWGK-NRFANRHFSA-N 351.402 3.384 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2N)N1 587746129 LLYPZOQKOHQUBX-JDNHERCYSA-N 350.235 3.363 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 587240003 PSXHCBZNWOEHAN-UHFFFAOYSA-N 358.785 3.469 0 1 FGAF CCOC(=O)CCC1(CCC(=O)OCC)NCCc2ccc(F)c(C)c21 962142033 DIHROKAYHCTFAN-UHFFFAOYSA-N 365.445 3.162 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cncc(OC)c3)cc1)N2 169353033 HFDAIKHXHSHODJ-RNQOJCNYSA-N 352.434 3.154 0 1 FGAF N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205242666 IKFWWTFURAIGPU-OAHLLOKOSA-N 371.448 3.009 0 1 FGAF Nc1ncnc2c1c(-c1c[nH]c3nccc-3c1)nn2C1Cc2ccccc2C1 1857754216 XAJYYNMFZSQPHS-UHFFFAOYSA-N 367.416 3.243 0 1 FGAF Cc1noc(C)c1C(=O)O[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 1361152 WBQVNWUNEUMQFI-QGZVFWFLSA-N 360.385 3.387 0 3 FGAF CCCNC(=O)CSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097041 SPZZQXFLVUPSCH-KXOKVVBFSA-N 369.527 3.241 0 1 FGAF O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(F)nc2)cc1-3 68246364 XQSNJSIECSWSOW-UHFFFAOYSA-N 360.392 3.195 0 1 FGAF in-vivo COc1ccc(Cn2ncc3c4sc(C)cc4n(C)c3c2=O)cc1F 36380386 AMSOYQJUEOSAIM-UHFFFAOYSA-N 357.410 3.454 0 1 FGAF CCCCO[C@H]1c2c(cc(OC)c(C(C)=O)c2OC)OC(C)(C)[C@@H]1O 13305689 JMGXWHJPYZENAF-ZWKOTPCHSA-N 352.427 3.296 0 1 FGAF biogenic COC(=O)[C@H]1CC(=O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 31161103 FNVSXZHYPJQAOP-VVJMSQTISA-N 374.433 3.459 0 1 FGAF CO[C@]12C(=O)c3cc4ccoc4cc3O[C@@H]1COc1cc3c(cc12)OCO3 15147382 NUYYOLGSNQWSLU-QUCCMNQESA-N 366.325 3.040 0 1 FGAF biogenic Nc1nc2c(c(N3C[C@@H]4CCCN[C@@H]4C3)n1)CCCC[C@H]2c1ccccc1 49054911 KMYVBYYBQAUEAL-JENIJYKNSA-N 363.509 3.105 0 1 FGAF O=C(Cc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1 40422779 YSNDGOYIJQELQG-UHFFFAOYSA-N 360.373 3.225 0 1 FGAF CCC[C@H]1C[C@@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914936 GDFIDTXMRHKUHA-DZGCQCFKSA-N 366.849 3.091 0 1 FGAF Cc1csc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 147022807 OPAHDAOJXHDREH-UHFFFAOYSA-N 359.407 3.488 0 1 FGAF COc1cn(-c2ccccc2F)nc(-c2ccnn2-c2ccccc2)c1=O 95579691 JBXPBSYUHPMEHH-UHFFFAOYSA-N 362.364 3.233 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(=N)[nH]c1C(F)(F)F)O2 587382528 MRXVINKWWFMKJS-AWEZNQCLSA-N 357.357 3.346 0 1 FGAF COC(=O)C(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591714 HIWWERGQVBBDIK-HOTGVXAUSA-N 356.374 3.312 0 1 FGAF COc1cc2c3c(c1)OC1(CC(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587444776 UTMMVSUQGLBJBE-YSJWXEPDSA-N 364.397 3.335 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)O)c2)N1 587790883 JUMKCWRDTYOEEL-BCTVWOGZSA-N 367.218 3.412 0 1 FGAF CCn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583226 UTIWCNHFJCOGMH-YLJYHZDGSA-N 350.374 3.486 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586934916 CSUXSENZEBIQLD-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF CC(C)(C)c1cccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 586929306 DKLPAFXSQKLVKW-UHFFFAOYSA-N 357.479 3.293 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963183 XYSANFRXFFKPQH-BYPYZUCNSA-N 357.226 3.196 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CS(C)(=O)=O)cc1)O2 587408929 JRHLUYFYPSRUEU-IBGZPJMESA-N 359.447 3.002 0 1 FGAF Fc1cccc(Cn2nnc(-c3nc4cnc(Cl)[nH]c-4n3)c2Cl)c1 587161731 QHQZGCCSCVAYBU-UHFFFAOYSA-N 364.171 3.057 0 1 FGAF O=C1CC=C(c2nc3cc(Cl)cnc3[nH]2)NN1Cc1ccc(F)cc1 587163972 PNVKARWNTUKQIV-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF COC(=O)CC[C@H](N)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587259279 ZZOMZACNNHYJPL-ZETCQYMHSA-N 351.712 3.068 0 1 FGAF CN1CCN(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512977 HDEFGZUNWDQZKJ-HXUWFJFHSA-N 356.510 3.173 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)c1cccn1C)C(=O)OC 963243023 QZXADHGOUQTMQG-OPAMFIHVSA-N 368.477 3.323 0 1 FGAF CN(C)c1nc(Cl)c([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963028908 MOJAZWFZJKZVSP-LKFCYVNXSA-N 362.886 3.005 0 1 FGAF C[C@@]1(c2ccc(OCCCF)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906400 FWTFSOUFNKGZCJ-ICSRJNTNSA-N 361.388 3.427 0 1 FGAF CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1 5066478 ZMODDSLUXAGNBJ-UHFFFAOYSA-N 356.809 3.234 0 3 FGAF CCCCC[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 14781396 IXAQOQZEOGMIQS-OIULCIFJSA-N 352.471 3.129 0 1 FGAF COCCNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12 4239343 GPHBIBXNEXKFJL-UHFFFAOYSA-N 350.422 3.057 0 1 FGAF C[C@H]1CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C[C@H](C)O1 766840 JMVKKVTWNGBJQR-STQMWFEESA-N 368.412 3.074 0 1 FGAF CC(C)(C)OC(=O)N1CCc2c(n(C/C=C/c3ccccc3)[nH]c2=O)C1 1857105 RBHTZGJCVFLZSA-JXMROGBWSA-N 355.438 3.183 0 1 FGAF Cc1cc(=O)oc2cc(NC(=O)Cn3c(=O)sc4ccccc43)ccc12 2461520 OMAVUZRSDZHWCG-UHFFFAOYSA-N 366.398 3.117 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 6824217 FZESIWAUMQVCEV-CYBMUJFWSA-N 371.462 3.036 0 1 FGAF CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@H]2C[C@@H]2C1=O 103260429 JFRUETNFZHUWLL-PMACEKPBSA-N 367.493 3.285 0 1 FGAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@@H](CC(N)=O)CC3)cc2)nc1C(N)=O 118448016 AUAYEZNPJOOJDS-SHTZXODSSA-N 366.465 3.009 0 1 FGAF O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1 66101800 GWGLGISJEZMMGU-UHFFFAOYSA-N 365.355 3.086 0 1 FGAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(Br)cc1 28524046 MBMCIVJPDOZOJF-UHFFFAOYSA-N 351.229 3.468 0 1 FGAF C[C@H](O)c1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 27990151 FQFFWGMQXQFGSO-NSHDSACASA-N 360.458 3.323 0 1 FGAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21C=C3C 2356667437 MDJQZPYACFNHLR-NMJODBOBSA-N 362.510 3.460 0 1 FGAF COC(=O)[C@@H]1COCC[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]21 2356703029 JDJVJTFQJVKZQS-XOKHGSTOSA-N 350.418 3.139 0 1 FGAF C[C@H]1NC(=S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1 29328435 CLTOUVBTMGFGES-BMIGLBTASA-N 360.870 3.086 0 1 FGAF CCCCCC[C@@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 35996518 PUFFDHPIZWKLSX-OAQYLSRUSA-N 369.509 3.384 0 1 FGAF in-vivo NS(=O)(=O)OCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 84899102 DAYNROLUPFEION-UHFFFAOYSA-N 362.451 3.073 0 1 FGAF CCOc1ccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)cc1 49124869 CIBBUNAWVBNDQV-UHFFFAOYSA-N 355.394 3.359 0 1 FGAF O=S(=O)(c1ccc(O)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1 40976496 KRCHHIZZHGISRT-UHFFFAOYSA-N 357.387 3.330 0 1 FGAF C[C@H](O)[C@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@H]3C)OC(C)(C)C=C2 253798652 YBTZYMZAMUEVJB-VWYCJHECSA-N 360.406 3.189 0 1 FGAF Cc1ccc2ccc3c(c2n1)=N[S@](=O)(O)=c1ccc(C(F)(F)F)cc1=3 377833868 PYTAYNRXTLUSGK-UHFFFAOYSA-N 364.348 3.405 0 1 FGAF CO[C@H]1CC[C@H](Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 299851866 KYZOKRJDUREGKD-HDJSIYSDSA-N 370.478 3.427 0 1 FGAF CC1(C)C[C@]2(CC(=O)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346278 LLONVDZKWWLQNS-NQIIRXRSSA-N 369.392 3.318 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 587952355 PMGXORJTSLPKKF-XSRFYTQQSA-N 350.390 3.478 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccnn1C)CC2=O 587474858 HZWGKNFAFZMPJT-ZAHGZRRWSA-N 355.438 3.014 0 1 FGAF Cc1n[nH]c(C)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661311 NQKYTVIFRWDCMQ-UHFFFAOYSA-N 362.364 3.231 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCN(C)CC1)O2 587399642 LRKKPZHJYZFSPY-FQEVSTJZSA-N 351.450 3.036 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccccn1 587872523 MEOOQFCUHOZDNR-UHFFFAOYSA-N 370.453 3.448 0 1 FGAF CCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587584300 ZJJSAIUWPJTICK-YLJYHZDGSA-N 350.374 3.486 0 1 FGAF COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](C(=O)O)(C5)C4)[C@@H](C2)C3=O 587453275 XXSWWBVYDZVHPR-IEADOOCZSA-N 354.402 3.092 0 1 FGAF CCn1cc(Br)c(Cc2nc3c(F)cnc(Cl)c3[nH]2)n1 587001522 ZEQMTDJKSIUWHR-UHFFFAOYSA-N 358.602 3.320 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cnc3ccccc3c2[nH]1 587231346 NPTPNXDXZMMLFW-KGLIPLIRSA-N 352.438 3.148 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)Br 587648420 ACINYDRFCIJGLQ-UHFFFAOYSA-N 366.183 3.050 0 1 FGAF COc1c(C)cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(C)c1C 963527681 PZRMLPWYZOZCGN-QFBILLFUSA-N 355.434 3.323 0 1 FGAF CNS(=O)(=O)c1cccc(Nc2ccnc(Nc3cccc(C)c3)n2)c1 1772609678 ZTKJAFSUGRTZES-UHFFFAOYSA-N 369.450 3.180 0 1 FGAF CCCn1ncc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1C 11718348 LWQVAHUXMMAZDG-SFHVURJKSA-N 372.488 3.477 0 3 FGAF O=C1Nc2ccccc2C(=O)[C@@H]1CCCN1CCN(c2ccccc2)CC1 169317045 YZQQMFPWHJROTN-IBGZPJMESA-N 363.461 3.040 0 1 FGAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccc(F)cc3)cc2C1 168084150 XUMGDOVPVSPEDI-UHFFFAOYSA-N 369.371 3.396 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cc(NCc3ccccc3)ncn2)c1 4239315 QFJRQXHZRGAWQM-UHFFFAOYSA-N 354.435 3.127 0 1 FGAF O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(C[18F])cc1 100060107 WYNSCFORRAXQPA-IFWCHYDGSA-N 368.439 3.029 0 1 FGAF in-vitro O=C1NC(=O)[C@@H](Cc2ccc(OCCn3ccc4cccnc43)cc2)S1 29388961 GGPISWLEMHICHZ-MRXNPFEDSA-N 367.430 3.009 0 1 FGAF CCC(CC)C(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356305903 RVIBRRLLRXBQMT-CVEARBPZSA-N 371.481 3.481 0 1 FGAF CCCCC/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)CCCC(=O)OC)[C@@H](O)C[C@H]1O 26499856 PMJFULFRSGAFPL-ZUBLXNSRSA-N 368.514 3.131 0 1 FGAF O=S(=O)(Nc1cncc(-c2ccc3nccn3c2)c1)c1ccccc1 71316585 IEBWNBIVIFQUPF-UHFFFAOYSA-N 350.403 3.197 0 1 FGAF Cc1cc2c(c(C)c1CCOC(=O)Cc1ccccc1)C(=O)[C@@H](C)[C@@H]2O 14682744 ZLODSRSPHRSTCG-BTYIYWSLSA-N 352.430 3.498 0 1 FGAF biogenic Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 140179832 BIZZOSYAPJOSBV-UHFFFAOYSA-N 354.417 3.273 0 1 FGAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ccncn2)cc1 95554069 OCIGLNKJPQBAKJ-QGZVFWFLSA-N 373.478 3.183 0 1 FGAF O=C(O)C[C@@H](NC(=O)c1cncc(N2CCCC2)c1)c1ccccc1Cl 261169294 SOJLRZUYQRGPMG-QGZVFWFLSA-N 373.840 3.281 0 1 FGAF CCCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 263590342 RQGGXXANGATZCL-OALUTQOASA-N 370.474 3.063 0 3 FGAF CCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597897 SIKBSNKSPCQASU-OXQOHEQNSA-N 356.374 3.456 0 1 FGAF N=c1[nH]ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115975 HRWUNBUYMVGQFT-UHFFFAOYSA-N 358.121 3.214 0 1 FGAF Cc1cccc(NC(=O)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1C 587239294 PDEBOPOKYWRMQG-UHFFFAOYSA-N 366.465 3.301 0 1 FGAF O=C(O)c1ccoc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618631 VEHGIISMYIGUTH-KSSFIOAISA-N 352.298 3.386 0 1 FGAF Cn1nnc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587582483 LMRONXIXQVQTSH-WIYYLYMNSA-N 373.368 3.377 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(C)c2)(C(F)F)N1 587716908 KFXPPURFZHLPJQ-VXJOIVPMSA-N 374.204 3.365 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cncn2)(C2CC2)N1 587758267 IGYHXUZFRNPGJJ-HWPZZCPQSA-N 365.250 3.019 0 1 FGAF COc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(OC)c1C 587787670 NUAIXBWHACXWML-UHFFFAOYSA-N 366.465 3.307 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1 587597557 UYRJGCCYORCENN-KAZOIDJZSA-N 351.402 3.397 0 1 FGAF CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1N 1772641099 UZJQWGMDMLSEQH-UHFFFAOYSA-N 371.418 3.207 0 1 FGAF Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccccc1)SC(N)=N2 17222172 BVSPERARIJIAHO-MRXNPFEDSA-N 364.430 3.368 0 1 FGAF CN(C)S(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1 103226712 XCLKELFJEWWGJG-UHFFFAOYSA-N 362.842 3.277 0 1 FGAF CC(=O)NCCOC(=O)[C@@H](C)c1ccc2c(c1)Oc1ccccc1CO2 29221620 XBPJKECUYUUSQD-ZDUSSCGKSA-N 355.390 3.154 0 1 FGAF OCCOc1cccc(Nc2nc(Nc3cccc(O)c3)ncc2F)c1 114321696 YUERHWLKMBYTQY-UHFFFAOYSA-N 356.357 3.180 0 1 FGAF C[C@@H]1/C=C/CC(=O)NCc2cccc(c2)CNC(=O)N[C@@H]1c1ccccc1 102874970 KSBGAXIOHACUNA-NLLJUKRZSA-N 363.461 3.439 0 1 FGAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356302742 XFSXVQNLQCHQKW-IAGOWNOFSA-N 370.497 3.494 0 1 FGAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccncc1)CCCC3 28968782 BUGJFLXBRJKUKA-KRWDZBQOSA-N 365.433 3.299 0 1 FGAF O=C(O)C[C@@H]1C[C@H](O)CN1CCC=C(c1ccccc1)c1ccccc1 45340192 XFXHMSATEXGCHY-PMACEKPBSA-N 351.446 3.418 0 1 FGAF COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2OC)c1 145485339 OUMGNQRZWKTLHK-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF COC(=O)C1=CO[C@@H](C)[C@@]2(C)C[n+]3ccc4c([nH]c5ccccc54)c3C[C@H]12 238782059 SSQYVTZCKQTPKQ-OIAISFKWSA-O 363.437 3.263 0 1 FGAF Fc1ccc2c(CN3CCO[C@H](COc4cccc(F)n4)C3)c[nH]c2c1 653708479 NZASLZKSUGCORX-HNNXBMFYSA-N 359.376 3.121 0 1 FGAF COC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806042 INZBSNXLOPSRMD-FVMDXXJSSA-N 356.235 3.291 0 1 FGAF CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587594768 IUNXWFFDDFBTJR-OXJNMPFZSA-N 368.385 3.456 0 1 FGAF Cc1c(NC(N)=O)cccc1-c1nc2c(C)c(Br)cnc2[nH]1 587240204 RGLMRYWKRFBLSM-UHFFFAOYSA-N 360.215 3.495 0 1 FGAF C[C@]1(c2nccnc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341422 YQRFHLFJSKIIFJ-JXFKEZNVSA-N 365.364 3.178 0 1 FGAF CCN(CC)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574742 YDXFGKOLRSMKMX-WIYYLYMNSA-N 369.417 3.371 0 1 FGAF COc1ccc(C=O)c2cc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)oc12 586904181 RUZVVAAKOORCOG-UHFFFAOYSA-N 370.386 3.201 0 1 FGAF Oc1nc2cc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2[nH]1 587077039 QWUGUFVSPMLDLR-OAHLLOKOSA-N 353.769 3.415 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2N)N1 587748410 WYWNHTSWWYORBF-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncnc3[nH]1)N2 587031937 QPPJJJUGAOQCLH-JTTRITNRSA-N 372.479 3.480 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3-c1ccccn1)O2 587393230 ZXPPNQWGDXGFLE-OAQYLSRUSA-N 360.417 3.355 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3cccnc23)N1 587796094 PEYFKAQOIXFYPP-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)c(Cl)cc41)[C@@H](C2)C3=O 587427462 IMGNACWTRLIKHY-YPMLDQLKSA-N 359.740 3.083 0 1 FGAF C[C@@H](c1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1)N(C)C 962931737 PEFUUJONONZCNJ-BTYIYWSLSA-N 351.494 3.246 0 1 FGAF CC(C)CCc1nc(NCC(C)C)nc(N(CC(=O)O)CC(C)C)n1 13559141 CIQKETFTZBQDJY-UHFFFAOYSA-N 351.495 3.075 0 1 FGAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CC(=O)O)C(=O)O 13742386 GGAMAQNICRPPQT-PKZBUFLYSA-N 351.443 3.450 0 1 FGAF C[C@H]1CCCC[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857572138 VGOLZBWHJJPAIH-XHDPSFHLSA-N 355.417 3.453 0 1 FGAF O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc(F)c(Cl)c1 3284767 WCUYRIYFWIBAIB-GHMZBOCLSA-N 367.804 3.356 0 1 FGAF O=S(=O)(c1ccc2ccccc2c1)N1CCn2c(nc3ccccc32)C1 4885422 FHCCLQVFRXQYIY-UHFFFAOYSA-N 363.442 3.394 0 1 FGAF O=C1c2ccc(-n3cnc4ccccc43)cc2CCN1CCN1CCCC1 59112272 BTHDBDIXZQYFMB-UHFFFAOYSA-N 360.461 3.120 0 1 FGAF NC(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620846 PCMBJZJEXBDIDN-FPOVZHCZSA-N 373.456 3.379 0 1 FGAF O=C(c1cccc(Br)c1)N1C[C@@H]2CC[C@@H](C1)C2N1CCCC1 101698965 YMTXFWXRZYKGBA-GJZGRUSLSA-N 363.299 3.396 0 1 FGAF COc1ccc(Cl)cc1C(=O)NCCc1ccc(/C=C/C(=O)O)cc1 59786798 YWCCMQNUCQUUIC-RMKNXTFCSA-N 359.809 3.419 0 1 FGAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2F)cc1 100108697 JAVNOTHTDHPKGP-PMOLBWCYSA-N 353.441 3.352 0 1 FGAF CC[C@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 25970076 FFUJNRKAFPROCP-HXUWFJFHSA-N 368.339 3.196 0 1 FGAF N[C@H](Cc1cc(F)ccc1F)C1CCN([C@@H]2CCC[C@@H](C(=O)O)C2)CC1 66075818 OUYYJIKUXWSIGZ-LSBZLQRGSA-N 366.452 3.190 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3[C@H]4CC[C@@H]3CC(O)C4)c2c1 73195807 OOOQCFLLXODUKM-YIONKMFJSA-N 366.465 3.224 0 1 FGAF O=C1Nc2cc(F)ccc2[C@H]1CCCCN1CCN(c2ccccn2)CC1 35900535 NDEQQLAZHRZSEI-GOSISDBHSA-N 368.456 3.249 0 1 FGAF COc1cc2oc3c(c(=O)c2c(O)c1C)-c1cccc(O)c1O[C@H]3OC 13378584 KZXDJFLGVUVMJX-LJQANCHMSA-N 356.330 3.226 0 1 FGAF biogenic C[C@@H](NC(=O)c1nc(N2CCC(F)(F)CC2)c2cnccn12)C(C)(C)C 71329235 IFNYGHXKMOTXNI-GFCCVEGCSA-N 365.428 3.129 0 1 FGAF O=S(=O)(c1cccc(Cl)c1)n1ccc2cc3c(cc21)CCNCC3 40379328 UFAYJVYELGRGFE-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(O)c4)ccc31)[C@H]1CC[C@@H](C2)N1 82153370 JEYBNNVZHSMLCJ-YVEFUNNKSA-N 368.458 3.066 0 1 FGAF COc1ccc(CCO[C@H]2CCCC[C@H]2N2CCC[C@@H]2CO)cc1OC 145388363 MDBIKEYWTAYHSB-QRVBRYPASA-N 363.498 3.031 0 1 FGAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)C(=O)c2cc(Cl)ccc21 96930090 PQYAEPPWYGUFHI-UKTHLTGXSA-N 355.777 3.126 0 1 FGAF COC(=O)c1ccc(N2CCc3cc(Br)ccc3C2=O)cc1 621476532 QGOXDJMYDZXECN-UHFFFAOYSA-N 360.207 3.439 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580121 HHDMZLKTUYPCQW-FXAWDEMLSA-N 350.374 3.311 0 1 FGAF Nc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1C(=O)O 587248375 OLHMJAHDFGLPOP-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586880741 BJPYTZSPDCZUKW-UHFFFAOYSA-N 354.337 3.329 0 1 FGAF COC[C@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833708 HNPBSEHFTKPZBL-APPDUMDISA-N 372.278 3.391 0 1 FGAF CC(C)(C)C(=O)OCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923689 DUKGFMGYJWCWFO-UHFFFAOYSA-N 368.480 3.271 0 1 FGAF O=C(n1ncc2ccc(Cl)cc2c1=O)C(F)(F)Oc1ccccc1 587651083 BOLLHEJHSGNGLC-UHFFFAOYSA-N 350.708 3.362 0 1 FGAF CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586942349 KDZVYXNKYYAKID-UHFFFAOYSA-N 369.796 3.107 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccn3)c2c1 587648668 DVLXWHJQXRURTK-UHFFFAOYSA-N 368.336 3.216 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1N1CCOC1=O)[C@@H](C2)C3=O 587441842 HRSKZWPEYKCUDC-YCRPNKLZSA-N 365.385 3.315 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)O)c2)N1 587791323 LKXADYVHDIXUGL-ZKANADHPSA-N 367.218 3.412 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)oc(=O)n3C)CC2=O 587490532 XWCSSEKOQUZTGT-QGZVFWFLSA-N 353.374 3.496 0 1 FGAF COc1ccc2c(c1)OC[C@@H](Cc1ccc(OC)c(OC(C)=O)c1)C2=O 3198884 BXJAMTIXSSLKAH-CQSZACIVSA-N 356.374 3.063 0 3 FGAF biogenic,in-vitro O=C(C1CCOCC1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 11998185 PVBVAFNPRDAWFO-HSZRJFAPSA-N 370.537 3.360 0 1 FGAF CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13136364 OICVHXJTQGMQBA-WCXIOVBPSA-N 363.255 3.339 0 1 FGAF CC(C)Oc1ccc(-c2cc(NC[C@@H](O)CO)c3ccccc3n2)cc1 13818391 FJTOEVNOQSTJRA-MRXNPFEDSA-N 352.434 3.454 0 1 FGAF O=C(Nc1ccc2c(c1)OCO2)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@H](C1)[C@H]23 15937340 CHRCTPIYTMSAPN-FCIKYMEBSA-N 372.421 3.143 0 3 FGAF C[C@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857572137 VGOLZBWHJJPAIH-NHYWBVRUSA-N 355.417 3.453 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc2c(c1O)C[C@H](C(C)(C)O)O2 1857599688 KGKXGVCRYJIOFU-QGZVFWFLSA-N 356.418 3.038 0 1 FGAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@@H]3CC[C@]21C 2356332035 ZLLOIFNEEWYATC-WLILINMQSA-N 364.869 3.375 0 1 FGAF C[C@H]1Cc2c(Cl)cc(CN[C@@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 2356420304 VYLQGYLYRQKMFU-SGTLLEGYSA-N 373.836 3.227 0 1 FGAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4902495 VLNKYDCKUWQXOO-DJJJIMSYSA-N 366.417 3.027 0 1 FGAF COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 29136327 QAPKTFCUIZZQKX-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF CCn1c(C(=O)NCc2cncnc2)nc2c(-c3ccccc3)cccc21 103268362 BYCRVQPVYCMIPQ-UHFFFAOYSA-N 357.417 3.443 0 1 FGAF CO[C@@H]1[C@H](OC)CC[C@@H]2c3ccc4cc5c(cc4c3N(C)C(=O)[C@H]21)OCO5 2356489443 YFMBMEFXASAJQX-VTCYDRLCSA-N 369.417 3.069 0 1 FGAF COc1c(Br)cc(C=C(O)C(=O)O)cc1Br 2356785684 AMVOOLWSQIZNAE-UHFFFAOYSA-N 351.978 3.204 0 1 FGAF CC=C(C)C=CC(=O)N[C@H](C(=O)O[C@@H](C)CC(=O)O)[C@@H](C)c1ccccc1 2356786552 AVTHWMAILGATEZ-FTRWYGJKSA-N 373.449 3.204 0 1 FGAF COc1cccc(CC2CCN(C(=O)c3nc4cc(O)ccc4[nH]3)CC2)c1 35259643 RLQPWGGZGPIMJR-UHFFFAOYSA-N 365.433 3.372 0 1 FGAF Cc1ccccc1C1=N[C@](C)(CC(=O)N2CCc3ccccc3C2)ON1C 74374607 SVYNRYBIHRXLPJ-QFIPXVFZSA-N 363.461 3.310 0 3 FGAF Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@@H]1CCCN2CCCC[C@H]12 35090966 KZUBCHUSOMKNKH-FUHWJXTLSA-N 366.527 3.318 0 1 FGAF CCCCC[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O 34033289 UXVRTOKOJOMENI-SKYGSKSRSA-N 352.471 3.129 0 1 FGAF in-vitro COc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2 36187740 RDKHMRVCUUWLNS-HKUYNNGSSA-N 368.452 3.226 0 1 FGAF COc1cc2c(c(OC)c1OC)CCCN1CCC3=CC[C@H](OC)C[C@]321 14929812 RDCFGNICVFXARK-BTYIYWSLSA-N 359.466 3.295 0 1 FGAF biogenic COc1cc([C@H]2Oc3cc(C=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 15211460 QXUIUNFQZDLKHB-ZMZPIMSZSA-N 374.389 3.435 0 1 FGAF biogenic CC(=O)Nc1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1 43060774 SPNXBTBIMOOEKF-WBMJQRKESA-N 374.366 3.079 0 1 FGAF CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181312 BBVBQJZNZXETCP-MRXNPFEDSA-N 366.469 3.393 0 1 FGAF CO[C@H]1CCN(C(=O)Nc2ccccc2)CC(=O)N(C)c2ccccc21 299865119 NFLBLTMARYZJEJ-SFHVURJKSA-N 353.422 3.275 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC13CN(C(=O)OC(C)(C)C)C3)O2 587401654 VNPUGAYFMXAHLY-FQEVSTJZSA-N 358.438 3.312 0 1 FGAF CCN(CC)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574741 YDXFGKOLRSMKMX-RXVVDRJESA-N 369.417 3.371 0 1 FGAF CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 587580924 JXJFZBOMPBXTFI-APWZRJJASA-N 365.389 3.442 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)CN(C(C)C)CC4)[C@@H](C2)C3=O 587453085 PCOSPZMEDIIZPM-ORAYPTAESA-N 370.474 3.407 0 1 FGAF CCO[C@H](C)c1nc(C)c(-c2nc3c(S)nc(S)nc3[nH]2)s1 587014890 SPRAPQUZJOHYMS-ZCFIWIBFSA-N 353.498 3.460 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCNCC1)CC2=O 587476050 SPCKWOYYNUANTK-NRFANRHFSA-N 366.461 3.461 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2N1 587123257 HGXZMNAKTDRMGQ-MADCSZMMSA-N 363.347 3.018 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(F)c2[nH]1 587201960 DPIRURICLNTOHI-CQSZACIVSA-N 357.341 3.144 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587232483 XTPZXMVUOMVUCK-RYUDHWBXSA-N 353.825 3.392 0 1 FGAF CC(=O)OC[C@@]1(c2ccc(Cl)cn2)CC(=O)c2cc(C)cc(N)c2O1 587379264 GWLSUEOSZZTZKB-GOSISDBHSA-N 360.797 3.049 0 1 FGAF NC(=O)c1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220447 SETIBVPKSBWLKC-SFHVURJKSA-N 370.412 3.181 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 587243349 CERRGVFVGDTLGU-UHFFFAOYSA-N 350.422 3.295 0 1 FGAF Cn1ncc2ccc([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962761902 HXGLBNRUKVVHJQ-VQIMIIECSA-N 373.378 3.483 0 1 FGAF NC(=O)c1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)s1 963002611 COSNNKXPASPNOP-QGZVFWFLSA-N 355.488 3.451 0 1 FGAF CC(=O)Nc1ccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc2c1 13602348 LLXDCSYQXGOAPS-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12 169704145 FUZYGEZQKAHUFX-QGZVFWFLSA-N 365.412 3.102 0 1 FGAF CCOC(=O)NCCc1ccc(OC(=O)OCC)c(OC(=O)OCC)c1 209736466 BNHVRFCGSSWNGD-UHFFFAOYSA-N 369.370 3.046 0 1 FGAF Cc1cc(-c2cnc3ccc(=N[C@@H](C)c4ccc(F)cc4F)[nH]n23)n[nH]1 1857606453 SMKJDFHRUWJNRS-NSHDSACASA-N 354.364 3.301 0 1 FGAF COc1cccc(Cn2c(C(C)C)nc3c(N4CCNCC4)ccnc32)c1 1857631146 BKSVNOGFWRASAG-UHFFFAOYSA-N 365.481 3.021 0 1 FGAF CNC(=O)C1=C(C)NC(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857761218 OVCWHIGLOHLLLW-CYBMUJFWSA-N 364.833 3.047 0 1 FGAF CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 3963136 PBJHISOWRYPYBX-LLVKDONJSA-N 370.377 3.396 0 1 FGAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051570 BNDMIFGDAPNZCD-CZANMRCUSA-N 372.490 3.363 0 1 FGAF C[C@H]1CCC[C@H](NC(=O)CCCN2C(=O)CSc3ncccc32)[C@@H]1C 6802682 HRWMKASSJPDAMX-ZNMIVQPWSA-N 361.511 3.241 0 1 FGAF Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)c1 100106696 QVVADCIQRXNSKX-KOUNCHBCSA-N 360.436 3.223 0 1 FGAF CC(C)C1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O 26380736 OGTFOSAWAKZLGH-UHFFFAOYSA-N 351.207 3.241 0 1 FGAF O=C(c1cccs1)[C@@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 102987672 OOHTXEVODQRYSL-WXQHOCMDSA-N 358.507 3.042 0 1 FGAF CC[C@]1(C)C(=O)C[C@@H](c2c(O)c(C)c(C)oc2=O)c2c1oc(C)c(C)c2=O 2356579947 IQOQYVAMVLWEDE-LRTDBIEQSA-N 372.417 3.305 0 1 FGAF COc1ccc2c(c1OC)CN1CCc3cc4c(c(OC)c3C1=C2)OCO4 2356875125 ZZPGALVVMLFLCM-UHFFFAOYSA-N 367.401 3.311 0 1 FGAF Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN3CCc4ccccc4[C@@H]3C2)cc1 29214197 IRMHLZKYYVUVPI-NQIIRXRSSA-N 370.518 3.377 0 1 FGAF CC(C)c1n[nH]c2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12 34021820 RCKCFOKBILAFJF-UHFFFAOYSA-N 352.316 3.259 0 1 FGAF O=C1O[C@@H](O)c2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 14640913 RXFWNFQXBZITHO-HXUWFJFHSA-N 364.309 3.126 0 1 FGAF biogenic COc1ccc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc1OC 43011500 LUBPRALHHHPMME-UHFFFAOYSA-N 351.402 3.050 0 1 FGAF COc1cc(OC)c(OC)cc1/C=C/n1ncc(Cl)c(Cl)c1=O 84669390 HPDOOXDBANCRNK-SNAWJCMRSA-N 357.193 3.204 0 1 FGAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 96916390 DKXLODFJDSYDRO-JTQLQIEISA-N 367.839 3.144 0 1 FGAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)s1 142676458 NHYVARJTRQPMNU-UHFFFAOYSA-N 371.319 3.349 0 1 FGAF COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 95593631 SOLHOYKFENYKEB-UHFFFAOYSA-N 367.445 3.407 0 1 FGAF CNC(=O)c1ccc(-c2cccn3nc(Cc4ccccc4OC)nc23)cc1 96169550 VDIVTJWFFCZOJY-UHFFFAOYSA-N 372.428 3.355 0 1 FGAF COC1(OC)C(=O)[C@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)C(C(C)C)=CC2=O 85558143 FBIXXXXACRPEFX-RXVVDRJESA-N 374.477 3.422 0 1 FGAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NC(C)(C)C2)N1 587789218 AMESTDZZJOBYJU-ABKXIKBNSA-N 355.251 3.006 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cncc(OC)c2[nH]1)C(F)(F)F 587092909 OTARAIKVCUVARK-INIZCTEOSA-N 366.343 3.130 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc[nH]c(=N)c21 587473519 WRJRXFWOLYTSNB-OAQYLSRUSA-N 367.449 3.380 0 1 FGAF COC(=O)c1cccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587155619 JFKVDOFXJRXXFN-IBGZPJMESA-N 353.353 3.280 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2ccc(F)c(Br)c2[nH]1 587248902 YRJQLOAIUREKJC-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1cc(C(=O)O)co1 961321376 JKCPVTSDGKUAAC-FQEVSTJZSA-N 359.422 3.145 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3ccccc3Oc3cnccn3)c3cccc1c32 963021424 GYTFDQKMWSRWMM-JLCFBVMHSA-N 372.428 3.412 0 1 FGAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccccc1 1772658109 SESJORIIMPHFEV-HKBOAZHASA-N 368.452 3.321 0 1 FGAF CSc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@@H]1CCCNC1 1772583883 QWCBDDMORRCKOO-SSDOTTSWSA-N 359.282 3.088 0 1 FGAF O[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CC[C@H]1N1CCCCCC1 11840951 LIRXYCPIMALMDM-WOJBJXKFSA-N 355.482 3.153 0 1 FGAF CCCCC[C@@H](O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496280 LLQBSJQTCKVWTD-JDPCLBJCSA-N 356.503 3.267 0 1 FGAF endogenous,in-man CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 13718953 DZUXGQBLFALXCR-NWFNLRAQSA-N 356.503 3.267 0 1 FGAF OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 13817412 NHBSUQDVNVOGGK-UHFFFAOYSA-N 365.433 3.281 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2O[C@@H]([C@@H]1C/C=C\CCCC(=O)O)[C@H]1O[C@@H]21 169342516 UHWPQNIXJFNMHO-UOALSMOXSA-N 364.482 3.466 0 1 FGAF O=C(O)COc1ccc(OCc2nnc(-c3ccccc3)s2)cc1F 1857586618 IVAWXSZFQJYQKL-UHFFFAOYSA-N 360.366 3.387 0 1 FGAF O=C(NCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1 1857769540 FCEWOKXURLAQOE-UHFFFAOYSA-N 374.488 3.177 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@]13CC[C@H](C)[C@]21C[C@H](c2ccoc2)O[C@@H]1O[C@@H]3O 2356332366 FTIIWSAYPGBNDS-GZAWXNBASA-N 374.433 3.328 0 1 FGAF C[C@@H]1CN2C(=O)CC[C@]34C5=CCC[C@@H]5CC[C@@H]5[C@H](O)OC[C@@]53CC[C@H]1[C@H]24 2356420574 GNMRIAQESVHTAO-VQRUUEHMSA-N 357.494 3.105 0 1 FGAF Cc1ccccc1NC(=O)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 4981871 JPDBRIKMMFFDTM-INIZCTEOSA-N 359.470 3.115 0 3 FGAF COc1ccc2c(c1)O[C@@H](CNCCc1c[nH]c3ccc(F)cc13)CN2 28571005 NPMDTHGHENPBAJ-INIZCTEOSA-N 355.413 3.321 0 1 FGAF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3)cc1OC 28112491 UJOQKCXTEOWXBW-UHFFFAOYSA-N 363.369 3.496 0 1 FGAF O=C(OC[C@@H]1CC=C[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 2356693624 LMUFXSQJLXONDZ-FHWLQOOXSA-N 352.386 3.006 0 1 FGAF COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1 504650738 CYXMUWWIWZLKKK-LPHOPBHVSA-N 368.481 3.080 0 1 FGAF biogenic CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCc2scnc2C)C1 39364209 HVUAHAMYVKACRD-SFHVURJKSA-N 372.538 3.292 0 1 FGAF NC(=O)C1(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CCC1 216023158 RCWPZCHLRPNPGD-UHFFFAOYSA-N 369.808 3.489 0 1 FGAF COc1cc(O)c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1 43068907 UYAUYDQPWTVRCA-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF CN(CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)O)c1ccccc1 20463454 AOJRCWXUJKMSLC-IRXDYDNUSA-N 360.498 3.498 0 1 FGAF biogenic Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC(C)C)cn1 143055190 QGUPFWSQXPLSKU-UHFFFAOYSA-N 352.394 3.157 0 1 FGAF O=S1(=O)C[C@H](N2CCC(c3ccccc3)CC2)CN1Cc1ccccc1 95570758 QLRZXYHYBPMSRJ-OAQYLSRUSA-N 370.518 3.080 0 3 FGAF COc1ccc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3O)ccc2c1 474609910 XBQHVKMUWVSBOA-UHFFFAOYSA-N 369.373 3.206 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O 587445961 ZNHZOQSZFFFTEN-HWXRSXNUSA-N 371.433 3.068 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 587398359 FGFSPEIHELLJCY-STQMWFEESA-N 358.438 3.168 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2CCF)N1 587720710 UGLPPHZFUCGXSG-RFAUZJTJSA-N 356.214 3.378 0 1 FGAF Nc1ccc(-c2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)cc1N 587088445 WOMYCKYKHGJCRL-UHFFFAOYSA-N 351.801 3.087 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2c(n1)SCC2 587619288 RIVDLGYOPAUMLF-YJBOKZPZSA-N 366.398 3.397 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NC1CC1 587658504 SEEFRWXHGOQKSM-UHFFFAOYSA-N 357.385 3.227 0 1 FGAF CCN1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587580875 FFXDYWQRLJYESZ-WIYYLYMNSA-N 353.418 3.454 0 1 FGAF Cc1cc(Cl)ccc1OCCCc1nc2c(O)nc(S)nc2[nH]1 587066777 RIXVULOHEIZZHZ-UHFFFAOYSA-N 350.831 3.321 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cn2)OCO3)N1 587779402 RVVVZBIKAHQTGU-ZKANADHPSA-N 365.202 3.336 0 1 FGAF Fc1cc2c(c(Cc3nc4ccc(Br)nc4[nH]3)c1)OCOC2 587172118 WCRYCNYSJQHDIR-UHFFFAOYSA-N 364.174 3.317 0 1 FGAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587925492 BQLIKAHZMCIPEA-GFCCVEGCSA-N 367.405 3.453 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(OC)c1 963603218 BOTSZXKCGYOAGA-ODXCJYRJSA-N 371.433 3.123 0 1 FGAF COc1ccc2c(c1)CC[C@H]([C@@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)C2 962895774 IJFYFISGKBOYSD-GKCIPKSASA-N 355.409 3.279 0 1 FGAF Cc1ccc2nc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)cn2c1 12306820 HJOPVADVUFJFDH-QGZVFWFLSA-N 352.413 3.499 0 3 FGAF C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 12472310 ZMVROYMOUCLNOO-MVWJERBFSA-N 372.701 3.400 0 3 FGAF CC(C)C[C@@H](O)C1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 13595297 OELDEPZICGTLNG-GOSISDBHSA-N 371.481 3.315 0 3 FGAF CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641911 VHAPRUSIYKEWDM-ZDUSSCGKSA-N 355.213 3.011 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@H]21 169692170 KAQKFAOMNZTLHT-YEXOJENSSA-N 352.471 3.409 0 1 FGAF CC(=O)C[C@@H]1CN(Cc2ccccc2Br)C(=O)c2cccn21 206394014 LPPUOIXNTJKEJB-CQSZACIVSA-N 361.239 3.427 0 3 FGAF Nc1c(C(=O)c2ccc(F)cc2F)ccc(=O)n1-c1c(F)cccc1F 166504101 SDWCOPUSJBCAAX-UHFFFAOYSA-N 362.282 3.207 0 1 FGAF Cc1cc(C)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 167033039 JQDYSTZQRAOEAZ-KDURUIRLSA-N 364.493 3.227 0 1 FGAF COc1ccccc1CNc1ccnc(-c2ccc(C(=O)N(C)C)cc2)n1 4266421 ORXNFLXGOWYOON-UHFFFAOYSA-N 362.433 3.466 0 1 FGAF CN1[C@H]2CC[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)[C@H]1CC2 101106856 LSJGAYNIIMEDLR-AQNXPRMDSA-N 351.446 3.091 0 1 FGAF CCCNC(=O)[C@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 61903181 UELNMMWFRFTGFV-QGZVFWFLSA-N 373.280 3.137 0 3 FGAF C[C@@H](N)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27322314 GRYGUIJVGCWQDJ-GFCCVEGCSA-N 351.841 3.161 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66102510 ZKEKFKBDHNVGCN-UHFFFAOYSA-N 373.400 3.020 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27640753 PXGPLTODNUVGFL-ZIZNBJMVSA-N 354.487 3.043 0 1 FGAF CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12 39376386 LTYUPBZLKIUGQX-UHFFFAOYSA-N 366.158 3.497 0 1 FGAF in-vivo COc1cc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2C)ccc1O 13400217 KVBURIUCHVKRJG-BMLIUANNSA-N 370.357 3.417 0 1 FGAF biogenic C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12 139767477 VQYHPUHKYSSEOB-CYBMUJFWSA-N 355.405 3.225 0 1 FGAF in-vivo CC[C@H](C)c1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231317 UBKAPPMRBPLXAW-NJSLBKSFSA-N 366.465 3.390 0 1 FGAF C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(Br)cc1 195840476 HNUMVIMHNDQGOR-AWEZNQCLSA-N 354.324 3.267 0 1 FGAF COC(=O)c1cccc(N2CCc3cc(Br)ccc3C2=O)c1 621476520 OBCHZCQLQVYMKZ-UHFFFAOYSA-N 360.207 3.439 0 1 FGAF O=C(Nc1ccccc1)C1=Cc2c(Br)cccc2S1(=O)=O 473154281 GCVHGSDIVPPVRU-UHFFFAOYSA-N 364.220 3.216 0 1 FGAF O=C(Cn1cc(-c2ccccc2C(F)(F)F)nn1)NCc1ccccc1 473144234 AGMHAWAAVBPBRM-UHFFFAOYSA-N 360.339 3.280 0 1 FGAF COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl 653708500 RJHQARBNQIFFJJ-AWEZNQCLSA-N 366.820 3.163 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COCc3[nH]ccc32)N1 587804015 QMASTNUJEDOVFE-XXFAHNHDSA-N 351.219 3.224 0 1 FGAF CC[C@]1([C@H](F)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587723819 XZUBQWZXHNOUGB-ZXCZTKLOSA-N 362.214 3.239 0 1 FGAF COc1ccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(F)c2)c(F)c1 587151209 GXBVZOUGHXYRRE-UHFFFAOYSA-N 370.315 3.385 0 1 FGAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c21 587030511 GCBMWZXUZYXVEA-VIFPVBQESA-N 366.450 3.430 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCCC2)N1 587754722 KVMXYOJDEZZZIY-MGPLVRAMSA-N 369.278 3.470 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCC(=O)O)[C@@H](C2)C3=O 587421063 RNAUATWMVWOFLH-ORAYPTAESA-N 374.776 3.301 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587052898 RYQPLBXVSHXYIF-UHFFFAOYSA-N 372.837 3.321 0 1 FGAF Brc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)o1 587007102 VMPCMXJKUSRUDH-UHFFFAOYSA-N 362.227 3.418 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccco2)(C(=O)O)N1 587832194 ZITROCZMKZYPBO-FVMDXXJSSA-N 368.202 3.238 0 1 FGAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2c(C(=O)O)cccc12 587638311 WNVAMYFBTCZMGU-UHFFFAOYSA-N 359.284 3.167 0 1 FGAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1OC 587354070 SXMUOPNGPLBMFO-RMVXJAJNSA-N 372.392 3.453 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 586938922 LMQZLMRVWWMTPP-NSHDSACASA-N 373.434 3.005 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(CCO)cc3[nH]2)cc1 586971552 ZCIMXCOCBAWXCC-UHFFFAOYSA-N 369.490 3.321 0 1 FGAF NC(=O)c1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220445 SETIBVPKSBWLKC-GOSISDBHSA-N 370.412 3.181 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587163660 UCAJUPOBAPODKU-ZIAGYGMSSA-N 359.426 3.223 0 1 FGAF Oc1nc(S)nc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587074459 APWBHEBEBMQUIB-NSHDSACASA-N 361.858 3.338 0 1 FGAF COC1([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)CCCCC1 963240889 ZSHKSPPFIICMSB-UYAOXDASSA-N 354.450 3.398 0 1 FGAF Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)NCCc2c(C(=O)O)cccc21 963128964 CBXIDKYZBCUKNA-QFIPXVFZSA-N 361.445 3.173 0 1 FGAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1O 13608680 LVVFFHGHABONDD-INIZCTEOSA-N 359.378 3.292 0 1 FGAF Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)o1 13829187 FGZNHNKAKGAAHO-RWFSNQMCSA-N 361.360 3.015 0 1 FGAF O=C(OCc1ccccc1)c1nc2c(OC3CCNCC3)cccc2o1 1857537521 KPDIQJUZECTZMF-UHFFFAOYSA-N 352.390 3.316 0 1 FGAF C/C=C/C(=O)Nc1cccc(CNc2cc(Nc3cnn(C)c3)ncn2)c1 1857601050 GXAMADMEMDRBID-HWKANZROSA-N 363.425 3.080 0 1 FGAF N=c1ccc(-c2cccc(OCc3ccccc3)c2)nn1CCCC(=O)O 1857618465 IPNCDXBWEAFUOQ-UHFFFAOYSA-N 363.417 3.473 0 1 FGAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)nc4)n3)c2c1 1857643416 UHPUEJXRKAJAFI-UHFFFAOYSA-N 374.404 3.396 0 1 FGAF C[C@@H](N=c1nc(-c2cc(F)ccc2F)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857652300 OFWGSSJSAWQKRK-GHMZBOCLSA-N 359.424 3.081 0 1 FGAF NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1 1857747361 PQAXJFYBVOVQKU-OAQYLSRUSA-N 364.537 3.214 0 1 FGAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1ccccc1F 1857758736 WFYWESJXMXMMGH-UHFFFAOYSA-N 362.162 3.021 0 1 FGAF CO[C@@H]1c2ccccc2O[C@@H](c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O 2356416267 NWSFMWPYMFJSED-XUVXKRRUSA-N 356.374 3.365 0 1 FGAF C[C@@H](CC1=N[C@@H]2[C@@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330037 JPHHGFNKNXDZSD-RWEMILLDSA-N 358.751 3.205 0 1 FGAF CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@@H]13)O2 104430462 SBDWZBRKGCELCC-XKGFGPFHSA-N 355.434 3.015 0 1 FGAF O=C1[C@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc2N1Cc1ccccn1 2356318341 HNZLFVZQPZKSJJ-AZUAARDMSA-N 363.461 3.393 0 1 FGAF COc1cc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc(OC)n1 28655604 BBFHXUQTXUMKQE-UHFFFAOYSA-N 372.371 3.251 0 1 FGAF Cc1nn(Cc2ccc([C@H](O)Cc3ccccc3)cc2)c(C)c1CC(=O)O 113988360 HXQOAXDZKXEBII-OAQYLSRUSA-N 364.445 3.451 0 1 FGAF COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc1 23157244 ZITPQEBEVBBOMR-OAHLLOKOSA-N 358.467 3.389 0 3 FGAF COc1ccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1 35982780 QHRVQKRZPPKELL-UHFFFAOYSA-N 361.405 3.229 0 1 FGAF OC[C@@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84603907 FSVJCNOLLRABCZ-VEQMMRKXSA-N 365.558 3.207 0 1 FGAF COCCCNc1ncc(C(=O)N2CCCC2)c(-c2cccc(C)c2)n1 82145697 XOARMVOSNKCHNG-UHFFFAOYSA-N 354.454 3.136 0 1 FGAF C[C@@H]1CN2[C@@H]3[C@H](CC(=O)[C@H]4CCC[C@H]43)[C@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@H]24 40394420 XWNUAACCLIULKG-NMOPZWIYSA-N 357.494 3.186 0 1 FGAF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F 82150479 BCQHNXMPXWNBSU-UHFFFAOYSA-N 374.460 3.141 0 1 FGAF NC(=O)c1c(-c2cccc(NC(=O)Nc3ccccc3)c2)nsc1N 145689611 FNYPNCJYDWZYCG-UHFFFAOYSA-N 353.407 3.135 0 1 FGAF Cc1cccc(-c2noc(C3CN(S(=O)(=O)c4cccc(C)c4)C3)n2)c1 95579381 UABZQKMEEGMSSO-UHFFFAOYSA-N 369.446 3.142 0 1 FGAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C(=O)O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 85842404 WNMPYAFMEIPUEI-OHKDHJGCSA-N 350.455 3.164 0 1 FGAF biogenic COc1cccc(-c2cc(=O)c3cc(Cl)cc(NCCCN)c3o2)c1N 299831853 OIEJZIUJZDZQFO-UHFFFAOYSA-N 373.840 3.465 0 1 FGAF COc1cc(C(=O)c2ccn(-c3ccc(O)cc3)c2)cc(OC)c1OC 299827446 JLFNTCPAMIQJIC-UHFFFAOYSA-N 353.374 3.440 0 1 FGAF Nc1ccnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997292 BLELIUOLQKUKBO-UPHRSURJSA-N 359.183 3.202 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cncc2-3)N1 587802193 KUBXKUNOZPUZRG-GLEZIHRCSA-N 361.218 3.435 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cncc2-3)N1 587802192 KUBXKUNOZPUZRG-AYVTZFPOSA-N 361.218 3.435 0 1 FGAF CC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586922440 MRYNHJAVYYGIGP-UHFFFAOYSA-N 368.458 3.271 0 1 FGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1COCCO1 587866110 SKIDRCJGEIZRBO-AWEZNQCLSA-N 370.327 3.023 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2O)N1 587773828 KCYCVYHIDSITFV-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1snnc1C 587864280 NRNCVDFNOQHGCV-UHFFFAOYSA-N 368.340 3.426 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC(C)=O)ccc1OC)[C@@H](C2)C3=O 587442770 LMYTYKIGIYAXRZ-YWZLYKJASA-N 354.358 3.118 0 1 FGAF CC(C)(C)C(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957735 CMOPOQUVHRRJTQ-GTNSWQLSSA-N 359.800 3.438 0 1 FGAF COc1ccc([C@@]2(O)COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1 1772602675 RUSKUIHJGJVNMB-NRFANRHFSA-N 370.401 3.078 0 1 FGAF CC[C@@H](NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(OC)cc1 1772605128 YIZVLPNASGZEPC-GOSISDBHSA-N 350.422 3.496 0 1 FGAF COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OC)ccc2ccccc12 13522802 ARVAVVGHIBBZQB-KRWDZBQOSA-N 356.447 3.156 0 3 FGAF COCc1cc(=O)[nH]c(-c2cccc(CN(C)Cc3cccs3)c2)n1 19228721 IAQAKIPHVQGZNQ-UHFFFAOYSA-N 355.463 3.277 0 1 FGAF CCCCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1 169334056 QOLJJSZGVISTMD-KRWDZBQOSA-N 364.486 3.146 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NCC(F)F 206080316 ALKLYNRPSUQLOD-UHFFFAOYSA-N 369.375 3.343 0 1 FGAF CNc1nc(Nc2cnn([C@H]3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F 205722204 ZGXBNRLQXMACOV-JQWIXIFHSA-N 374.342 3.085 0 1 FGAF COc1cc(-c2c(-c3cc(-c4cnn[nH]4)ccn3)ncn2C)ccc1F 1857648093 UKBPAYUZJJLRLF-UHFFFAOYSA-N 350.357 3.082 0 1 FGAF O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Nc1ccccc1 1861263 WIUZFDUELZITTI-UHFFFAOYSA-N 357.797 3.013 0 1 FGAF Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 3623874 ZNPZGOBHXUQPMI-UHFFFAOYSA-N 352.415 3.354 0 1 FGAF COc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F 100018357 KKDHGZMFZLFGLX-UHFFFAOYSA-N 353.353 3.496 0 1 FGAF CSc1cc2c(s1)c1cnn(Cc3cccc(N)c3)c(=O)c1n2C 64696617 BYZGPWHRVNBUES-UHFFFAOYSA-N 356.476 3.302 0 1 FGAF CN(C)CCO[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 66252225 VQVXGGVEIYVKNM-VTJFTLGMSA-N 359.510 3.166 0 1 FGAF COc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117588595 JMUMXGQTHLXJQC-UHFFFAOYSA-N 355.438 3.206 0 1 FGAF CCCCCC(=O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356527064 VKTIONYPMSCHQI-FCGDIQPGSA-N 354.487 3.475 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)c1cn([C@H]2CCNC2)c2ncccc12 28862183 MIFLVYXEQSRHTB-ZDUSSCGKSA-N 361.854 3.057 0 1 FGAF C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)c1cccc2ccccc12 27982741 VTCVJGXAGRVSSH-USCONSEESA-N 362.473 3.338 0 1 FGAF CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356702885 ZMZWVJLMOBCSEP-UWGQAIRJSA-N 360.450 3.091 0 1 FGAF CC[C@H](C)N1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 215283310 CPPQQBDODKHBIF-MRZGDXHCSA-N 351.288 3.405 0 1 FGAF COc1ccc(C[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 38388256 NYMMAIWHALQOKA-CWTRNNRKSA-N 362.422 3.339 0 1 FGAF COc1ccc(Oc2c(Cl)cnn(CC(=O)C(C)(C)C)c2=O)cc1 73273763 GJAVXQSKOIGFOG-UHFFFAOYSA-N 350.802 3.313 0 1 FGAF COc1cc(OC)c(/C=C/n2ncc(Cl)c(Cl)c2=O)c(OC)c1 84654075 LAPFCZUBAQEABP-SNAWJCMRSA-N 357.193 3.204 0 1 FGAF Cc1nn(C)cc1-c1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 48205475 BXMHIJWWXDUNJK-UHFFFAOYSA-N 362.481 3.262 0 1 FGAF C=C(c1cc(Cl)c(Cl)cc1OC[C@H](O)CNC(C)C)n1ccnc1 40503660 VKKKAZNAQXHEOG-CYBMUJFWSA-N 370.280 3.447 0 1 FGAF Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 49785208 OAHYUJZKQBTDBE-UHFFFAOYSA-N 353.328 3.095 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587227366 LLBFFXOGHPSZCR-UHFFFAOYSA-N 365.315 3.014 0 1 FGAF CC[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343548 COCJQRUBFDSAEQ-XFPJRNFQSA-N 369.392 3.175 0 1 FGAF Fc1nc(Cl)ccc1-c1nc2cc(I)cnc2[nH]1 587177755 XWQICZHYYNATSA-UHFFFAOYSA-N 374.544 3.417 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccn(CC)n1)CC2=O 587475298 LVBOFDLTVWPGSO-BUVUWQSRSA-N 369.465 3.497 0 1 FGAF O=C1C[C@](CO)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536194 RQDQOFPQTPCWJZ-QFIPXVFZSA-N 366.413 3.190 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(C)(C)C)nc2[nH]1 587223733 FFRIVQLQYOMJAN-CYBMUJFWSA-N 352.438 3.339 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(OC)cc4nc1O)[C@@H](C2)C3=O 587436532 QFPMNFXZWVEOCU-XOBRGWDASA-N 363.369 3.446 0 1 FGAF COc1cc(C)c(N)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587249534 NSEFYRDHZQFSFR-UHFFFAOYSA-N 351.179 3.426 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CO)c2)N1 587824986 FDMYHQXYSNYNRL-XYZCENFISA-N 366.230 3.410 0 1 FGAF Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)nnn1Cc1ccc(Cl)cc1 587073652 KQDUADAOAXHPRZ-UHFFFAOYSA-N 360.208 3.227 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 587938552 XDYJMAUVNYGWHS-KZULUSFZSA-N 374.462 3.202 0 1 FGAF Cn1c(Cl)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552458 ROXDLURRRSXUGN-PBHICJAKSA-N 356.765 3.482 0 1 FGAF c1ccc(C[C@@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCCO5)CS2)cc1 587041189 LITXHVNAQJPWRD-MAUKXSAKSA-N 353.447 3.280 0 1 FGAF Cc1scnc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628980 GKLHUOXIWODWHQ-DGCLKSJQSA-N 358.341 3.038 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]c4c(C(=O)O)cccc34)c3cccc1c32 963034246 QYZRFFHYRLAKJX-PRWKNARSSA-N 361.401 3.009 0 1 FGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ncccc2F)N1 962714819 VYNMKRSRPIOPBI-CHWSQXEVSA-N 358.266 3.067 0 1 FGAF Cc1cnc(-n2cccc2[C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963025342 JUBQTYUTGIXBCA-ORAYPTAESA-N 364.474 3.385 0 1 FGAF Nc1noc2ccc(-c3cnc4ccc(NCc5ccncc5)nn34)cc12 1772650307 YEJMTLYCMRXDQR-UHFFFAOYSA-N 357.377 3.127 0 1 FGAF COc1ccc([C@]2(O)COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1 1772602676 RUSKUIHJGJVNMB-OAQYLSRUSA-N 370.401 3.078 0 1 FGAF CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)[C@@H]1CCOC1 12373240 VQDWCOJKAASKCV-GOSISDBHSA-N 364.917 3.089 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(C=O)nc2-c2ccc(Cl)cc2)cc1 13762162 PNEJWVNVMKDFOI-UHFFFAOYSA-N 360.822 3.409 0 1 FGAF CCCn1c(=O)c2[nH]c(/C=C/c3cc(F)cc(F)c3)nc2n(CCC)c1=O 13827011 XHJSICGKDIONIS-AATRIKPKSA-N 374.391 3.155 0 1 FGAF COc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 205216945 WQXUMDXWDRYDIX-XJKSGUPXSA-N 374.799 3.363 0 3 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccncc4)ncc23)ccn1 205438998 CEPNWGUQPUNGPA-UHFFFAOYSA-N 359.393 3.045 0 1 FGAF C[C@@H]1CC(=O)Nc2c1c(Br)nc1nc3c(c(N)c21)CCCC3 1857589838 BBINOFJSCCYXHS-SSDOTTSWSA-N 361.243 3.299 0 1 FGAF CC(=O)Nc1ccc2nc(O)n([C@H]3CC[C@H](OC(C)(C)C)CC3)c(=O)c2c1 1857605950 ZSTIZSXEQORVDZ-SHTZXODSSA-N 373.453 3.359 0 1 FGAF CN(C)c1ccc(-c2nnn(Cc3ccccc3Br)n2)cc1 4093374 LTTDWRYJYNXEFH-UHFFFAOYSA-N 358.243 3.217 0 3 FGAF CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 100821272 CYMWNIIJIXYBNA-OTVXOJSOSA-N 370.432 3.444 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccccc1Cl 26011054 QLCCLDYVHHUAQQ-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CC1(C)C(=O)[C@@H](O)C[C@@H]2C1=CC[C@H]1[C@]3(C)CC(=O)C[C@@]3(C)CC(=O)[C@]12C 29042767 IFGHJNUABITDAU-JTBILLDWSA-N 358.478 3.263 0 1 FGAF CCc1nc2ccc(C(=O)NCCC(C)C)cn2c1N(CC)CCOC 61927482 IEOZJTGYZPLOKI-UHFFFAOYSA-N 360.502 3.145 0 3 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC 2356435049 PJDMFGSFLLCCAO-PXTPFGJHSA-N 368.514 3.131 0 1 FGAF COc1c(C)cnc(C[S@@](=O)c2nnc(-c3ccc(F)cc3)o2)c1C 26641518 MESQKVHCVHMXFT-VWLOTQADSA-N 361.398 3.204 0 1 FGAF O=C(NCc1ccc2c(c1)OCO2)c1nccn1Cc1ccc(Cl)cc1 21643388 SLXWZLLEQYPTSS-UHFFFAOYSA-N 369.808 3.244 0 1 FGAF O=C(/C=C/c1ccc(OC(F)(F)F)cc1)/N=c1/[nH]nc(-c2ccccc2)[nH]1 73195915 MWPHKCLDULKLTB-DHZHZOJOSA-N 374.322 3.444 0 1 FGAF Brc1ncnc2c1ncn2C[C@@H]1CSc2ccccc2O1 72179360 HLJSNAWJEGDOPN-SECBINFHSA-N 363.240 3.142 0 1 FGAF COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 14639579 MSVBCAIBBCJRCV-CYBMUJFWSA-N 371.433 3.179 0 1 FGAF biogenic CN(C)Cc1cn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2s1 45498731 QWGQZAYXSZTUOX-UHFFFAOYSA-N 368.441 3.303 0 1 FGAF COC(=O)[C@H]1[C@@H]2CC[C@H]3[C@@]14CC[C@H](C)[C@]31C[C@@H](c3ccoc3)O[C@@H]1O[C@H]4O2 195502865 GRJSIUBKDJRQIL-QTSIHNCJSA-N 374.433 3.424 0 1 FGAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3cc4ccoc4cc3O[C@@H]1CC2 40934858 OQUXSJDSDHAMOY-TZIWHRDSSA-N 366.369 3.228 0 1 FGAF biogenic COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(F)cn1)C2 473179601 XMXVFWLZSGTLEQ-RCBQFDQVSA-N 359.376 3.226 0 1 FGAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccccc2)cc1 653809975 FRLHQYBHNVGPBQ-GOSISDBHSA-N 367.430 3.283 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 586946635 NNDNYWGELCXOSG-UHFFFAOYSA-N 369.490 3.135 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)[C@@H](C2)C3=O 587439889 XEFVRGLTJDDXMN-QOKQMOMRSA-N 373.449 3.458 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn2ncccc12 587590365 ZOGKDWWDNXDTCQ-XLIONFOSSA-N 359.341 3.138 0 1 FGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)cnc3[nH]2)cc1 587243853 CCZVRUNBGLRUMT-UHFFFAOYSA-N 351.341 3.237 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587784071 DXSSOHPZLAVKFR-KBPBESRZSA-N 350.374 3.278 0 1 FGAF COCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587796256 PVAVNLGAVKYYMX-AYVTZFPOSA-N 355.207 3.346 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc4ncc(Br)cc4c3)nc2n1 587367097 RZHIEJDQBRVPSN-UHFFFAOYSA-N 369.178 3.414 0 1 FGAF CC[C@]1([C@H](F)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587723260 WGIQAGONHWIFTI-YVILZHTOSA-N 362.214 3.239 0 1 FGAF COC(=O)c1ccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587438312 NGRAFIZLXBYJLM-VLIAUNLRSA-N 363.369 3.452 0 1 FGAF C[C@@H]1C[C@]2(CN1C1CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582877 OQKWCCWSMWZWDN-XMLVGPMBSA-N 351.402 3.349 0 1 FGAF CC(=O)NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCC(C)CC1 587234144 HBAQCJXKWMWQNW-UHFFFAOYSA-N 351.353 3.426 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)[nH]2)N1 587789745 FVWIOUQYJJEREX-UOWDBTKRSA-N 353.191 3.238 0 1 FGAF CC[C@]1([C@H](N=O)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738577 BHZLCXIPVQKZMW-ZXCZTKLOSA-N 373.222 3.036 0 1 FGAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@@H]3CCCN3)s2)o1 12354916 ZXQJQEFTGODWHP-JTQLQIEISA-N 366.512 3.411 0 1 FGAF Cn1cc(CN2CC[C@]3(CCCN(CCCc4ccccc4)C3)C2)cn1 12744904 GHCLLLIAOGNQSC-QFIPXVFZSA-N 352.526 3.341 0 1 FGAF COc1cc(OC)c2c(C)c3n(c2c1)C(=O)CN(Cc1ccccc1)C3=O 13487572 HYPCLJVVIRIVMD-UHFFFAOYSA-N 364.401 3.263 0 1 FGAF CCOC(=O)[C@@H]1Oc2ccccc2C(c2ccc(C)cc2)=C1C(=O)OC 13814265 QLXOXOOFYXFIBE-LJQANCHMSA-N 352.386 3.294 0 3 FGAF Cc1ccc(CN2CCCC[C@@H](NC(=O)Cc3cccs3)C2=O)cc1 200052530 AUBJEDKOLXFANU-GOSISDBHSA-N 356.491 3.297 0 3 FGAF CN(C)C1CCN(c2ncc(-c3cccc(Cl)c3Cl)c(=N)[nH]2)CC1 1857610067 QIJSIGAQYIYSAU-UHFFFAOYSA-N 366.296 3.393 0 1 FGAF COC=C(C(=O)OC)C(C)=CC=Cc1ccc2c(c1)OC(C)(C)[C@@H](O)CO2 2356388812 SMLIFVAKZCGFSF-IBGZPJMESA-N 374.433 3.260 0 1 FGAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCO 4212786 MFLZKAQZBGEHEE-MOPGFXCFSA-N 362.470 3.208 0 1 FGAF Cc1ccc(C)c(Cn2nnc(C(=O)Nc3ccc(Cl)cc3)c2N)c1 4934344 NBDPFLJIVXPPCL-UHFFFAOYSA-N 355.829 3.431 0 1 FGAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC[C@H](C)C1 7005235 SNNLFPBGVLDUKS-LBPRGKRZSA-N 364.467 3.388 0 1 FGAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC(C)CC1 7005238 AAEMROLNLKTCLY-UHFFFAOYSA-N 364.467 3.388 0 1 FGAF CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21 100821301 WKESGRBZSRGRRG-OKILXGFUSA-N 369.448 3.411 0 1 FGAF CCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1cc(OC)c(OC)c(OC)c1 103889706 DZDSVOZRRCQFFU-LBFFYKKLSA-N 366.439 3.320 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]1(C)[C@H]3CC2 2356456766 PHVBYKAXONRGRQ-ZILADGCBSA-N 362.510 3.460 0 1 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccccc3Cl)[C@H]1C2 73138198 SGENGEOIJHYIQG-SCLBCKFNSA-N 371.824 3.369 0 1 FGAF COc1cc2c(cc1OC)C1=Cc3ccc(OC)c(OC)c3[C@H](O)N1CC2 14620311 XQCLUPWMBVLJKO-NRFANRHFSA-N 369.417 3.082 0 1 FGAF biogenic CN1O[C@@](C)(CC(=O)Nc2ccccc2F)N=C1c1cc(F)ccc1F 74374088 TUWALSUVPULXPR-SFHVURJKSA-N 363.339 3.473 0 3 FGAF COc1cccc(C2=N[C@](C)(CC(=O)Nc3cccc(F)c3)ON2C)c1 74373618 USKADCQYWQTDBY-IBGZPJMESA-N 357.385 3.203 0 3 FGAF Cn1c(CN2C[C@@H]3[C@@H](COc4cccc(Cl)c4)[C@@H]3C2)nc2ncccc21 148093956 GOWBAICYKZUMDP-FVQHAEBGSA-N 368.868 3.379 0 1 FGAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54C(=O)[C@@]12CC[C@@]34C 238737618 VZUWYTVCXIXPRR-KLLJWVCPSA-N 355.478 3.267 0 1 FGAF Cc1nnc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)o1 261152300 PFCZIJJRNKIFFD-SNVBAGLBSA-N 363.381 3.199 0 1 FGAF Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H](O)[C@H]2c2cc(O)cc(O)c2)cc1 473087029 JPFNVFORTNBLEH-ZJOUEHCJSA-N 366.369 3.177 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc[nH]c(=N)c2[nH]1 587191720 YFWGMGGOQLXRFB-HNNXBMFYSA-N 353.426 3.327 0 1 FGAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1Oc1ccccc1 587440697 CHMNBYZJYXARFH-VZVVXEKASA-N 366.413 3.438 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(/C=C/C(=O)O)=COc2ccccc21 587406568 CQLDJGCAUWCJEW-BXKJMJEDSA-N 363.369 3.355 0 1 FGAF COc1nccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587199044 XOQHUIYEAYITJJ-UHFFFAOYSA-N 373.416 3.492 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1 587251783 MTNDSHSDBATMAA-WDZFZDKYSA-N 370.478 3.394 0 1 FGAF CC1=C([C@]2(C)NCCc3c(C)ccnc32)[C@@H](c2ccc(F)cc2)CC(=O)N1 963082538 BGYBEUROPURQLZ-GCJKJVERSA-N 365.452 3.468 0 1 FGAF COc1ccc(CNC(=O)c2cn(-c3nccs3)nc2CC(C)C)cc1 1772588961 VDLQBROXWFWWJH-UHFFFAOYSA-N 370.478 3.466 0 1 FGAF CN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c1ccc(Cl)c(Cl)c1 5849860 SWRZVDTZHDWPDS-SECBINFHSA-N 352.269 3.189 0 1 FGAF CC(=O)O[C@H]1C[C@H]2/C=C/CCC[C@H](C)OC(=O)/C=C\[C@@H](OC(C)=O)[C@@H]2C1 169305057 ILLPGJFSCLASDH-DYOHCDHXSA-N 364.438 3.104 0 1 FGAF Cc1cccc(-n2nc(C)c3c2OS(=O)(=O)C[C@@H]3c2ccccc2)c1 1857564239 YJLJQYRGKGJEAE-QGZVFWFLSA-N 354.431 3.343 0 1 FGAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccccc3F)c3ccc(C)cc23)N1 1857567051 HYXKGYXYUFTOKO-KRWDZBQOSA-N 371.437 3.389 0 1 FGAF CC1CCN(C(=O)C2CCN(c3cc(NC4CCCC4)ncn3)CC2)CC1 1857582020 XWZINWNFTPUTAG-UHFFFAOYSA-N 371.529 3.306 0 1 FGAF Nc1ncc(-c2ccc(F)cc2)nc1-c1ccc2c(c1)C1(CC1)CNC2=O 1857603169 ICMWKPZOAOVEFJ-UHFFFAOYSA-N 360.392 3.307 0 1 FGAF CCCc1cn(CCn2c(=N)sc3cc(OC(F)(F)F)ccc32)nn1 1857631855 YMWJYEPUQNUFSX-UHFFFAOYSA-N 371.388 3.325 0 1 FGAF CN1CCc2c(n([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc23)C1 2356409606 NDSLNSBNOXPRGO-PKTZIBPZSA-N 358.489 3.460 0 1 FGAF CC(=O)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1 2457471 BOVDXQIUSFTFIT-SFHVURJKSA-N 350.503 3.166 0 1 FGAF Cc1nnc2ccc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nn12 4377147 YQNWOFAOQQYJBK-UHFFFAOYSA-N 364.796 3.400 0 3 FGAF Cc1ccc(C2=NNC(c3ccncc3)=c3ccc4ccccc4c3=N2)cc1 100466399 RWSZOKCHOYUFEH-UHFFFAOYSA-N 362.436 3.284 0 3 FGAF O=c1cc(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)nc[nH]1 23214506 JCKAVGSGQQIVEN-UHFFFAOYSA-N 352.463 3.273 0 1 FGAF CCCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216386 FRHNZONNLFZTKQ-DOMZBBRYSA-N 368.865 3.385 0 1 FGAF CN(C)CCCNc1nc2cc(-c3ccc(F)cc3)sc2c(=O)n1C 61904996 SGTYLTCIANIYFB-UHFFFAOYSA-N 360.458 3.165 0 3 FGAF CCNC(=O)c1ccc(C)c(N2Cc3nc(NC(C)C)sc3C2=O)c1 29041463 DXAQHRDWQFMMLS-UHFFFAOYSA-N 358.467 3.182 0 1 FGAF COCOc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)c1 61905733 SWUCBIAENGFLMY-NRFANRHFSA-N 370.449 3.286 0 3 FGAF C[C@@H]1CCCN1c1nc(Nc2ccc(C(N)=O)cc2)ncc1C(F)(F)F 1911584110 KGOIBABWCFAULY-SNVBAGLBSA-N 365.359 3.327 0 1 FGAF COc1cc2c(c(O)c1OC)-c1c(OC)c(O)cc3c1[C@H](CC2)N(C)CC3 14645623 AFAPEWKCXSTVJQ-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic CCCCO[C@@H]1c2c(cc(OC)c(C(C)=O)c2OC)OC(C)(C)[C@H]1O 13305693 JMGXWHJPYZENAF-MSOLQXFVSA-N 352.427 3.296 0 1 FGAF biogenic O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@H]1CCc2ncsc21 220855928 XFSPXQOSMWDJJJ-JTQLQIEISA-N 357.262 3.288 0 1 FGAF CC(C)Oc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1 221717317 NIWCEFPYEYYQMN-UHFFFAOYSA-N 367.453 3.322 0 1 FGAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 82203958 LRBWOJKYPLHTQM-BBRMVZONSA-N 359.518 3.113 0 1 FGAF Cc1c(CN2CCN(C(=O)Nc3cccnn3)CC2)sc2ccccc12 43123047 ZPCJANIPGYZTFY-UHFFFAOYSA-N 367.478 3.349 0 1 FGAF CC(C)(CN)COc1ccc(F)c2ccc(-c3nnc4ccccn34)nc12 96174995 NQMGIRXTZPKONK-UHFFFAOYSA-N 365.412 3.447 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN[C@@H](C(=O)O)[C@H]31 587108254 YMFHBXUJIMTZGC-HPIXMPJWSA-N 370.408 3.149 0 1 FGAF Cc1c(F)ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586928921 MGLBAMUJIDSERI-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF COC(=O)CCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590629 CVULDARNIGAMKI-CRAIPNDOSA-N 356.374 3.456 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc3c(C)cc(=O)oc13)O2 587409661 SFJTXWZWVJAZPQ-INIZCTEOSA-N 351.358 3.404 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)c[nH]1 587254158 HXEDXOSKNQVQBR-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF CCN(CC)CCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867845 OVVKMZMKZYXEGD-UHFFFAOYSA-N 370.375 3.345 0 1 FGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587093834 HGZDEYJTTVXRPE-RXMQYKEDSA-N 351.231 3.014 0 1 FGAF COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)nn1-c1ccccc1F 587157136 WQQKJACCWRMYOY-UHFFFAOYSA-N 364.340 3.145 0 1 FGAF NC(=O)c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018207 YMWBWDHKSFKGFR-UHFFFAOYSA-N 362.414 3.387 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc[nH]c2=N)N1 587707131 UFPAWOHQVDEHCB-QTTZVWFDSA-N 371.641 3.068 0 1 FGAF Cn1cc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583247 UWTBAWHVYSITAS-GHTZIAJQSA-N 362.385 3.319 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cnn(C)c1C)CC2=O 587476183 QDFPRKCCXZHVHW-ZJVMWOEPSA-N 369.465 3.323 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccco1)(c1ccco1)[C@@H](C2)C3=O 587456176 SFPZHMLZSTUIPD-RNODOKPDSA-N 350.326 3.407 0 1 FGAF CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccnn3C)C2)cc1 12072703 VWBMQAOJOWMESA-LJQANCHMSA-N 354.498 3.013 0 3 FGAF CC(C)CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1 13442422 VZNLCSKTOPAQML-UHFFFAOYSA-N 360.385 3.441 0 1 FGAF COC[C@@H](COc1cccc2cnccc12)NCc1ccc(OC)cc1 169329847 SCZODOADOXIUTM-SFHVURJKSA-N 352.434 3.427 0 1 FGAF COC(=O)/C=C1/CN2[C@@H]3CC[C@@H]2[C@@H]1[C@@H](c1ccc(Br)cc1)C3 169357698 ZMKPUZMPYBNAFS-YIBNUBQCSA-N 362.267 3.499 0 1 FGAF COc1ccc2c(c1)CCN1Cc3c(cc(OC)c(OC)c3OC)C[C@H]21 208101548 YOIFNPPXIVBRIH-GOSISDBHSA-N 355.434 3.377 0 1 FGAF COc1cc(NC(=O)C(C)(C)n2cc(-c3cccnc3)cn2)cc(OC)c1 1857585025 ASZUEANDKHCUDG-UHFFFAOYSA-N 366.421 3.336 0 1 FGAF COc1cc(OC)c(-c2cn3cc(NCCN)c(C)cc3n2)cc1Cl 1857587114 WINWWICAQXMAGD-UHFFFAOYSA-N 360.845 3.351 0 1 FGAF Cc1ccc(S(=O)(=O)n2nccc2-c2c(C)nc3ccccn23)cc1 1031674 ZOSICDPFVWKHLH-UHFFFAOYSA-N 352.419 3.052 0 1 FGAF CC(C)(C(=O)Oc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1046961 KUXVIOKLYMDITJ-UHFFFAOYSA-N 373.352 3.258 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN4C[C@@H](C)[C@H](CC[C@]31CO)[C@H]42 2356420890 QXIYBJSJMAMZDQ-QWRDILEPSA-N 373.537 3.395 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)[C@@H]1N2C 3781563 GVJXSDRIRBRKBI-FPOVZHCZSA-N 351.450 3.344 0 1 FGAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1CCCc1ccccc1 29128306 LHLHVYAISYPQNN-UHFFFAOYSA-N 374.400 3.284 0 1 FGAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@H](c2cccs2)[C@@H]1C(N)=O 56913737 KJOBGLWATYZABS-HUUCEWRRSA-N 351.435 3.112 0 1 FGAF C[C@H]1C[C@H](C)CN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)C1 20575547 OHPVSYMCQRIIFZ-GJZGRUSLSA-N 350.466 3.424 0 1 FGAF COC(=O)[C@@H]1CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 2356587146 AGTVKDDCBZAARB-MXTBJCJSSA-N 374.433 3.314 0 1 FGAF CCCC[C@@H]1CNCCN1CCCc1cc(OC)c(OC)c(OC)c1 61711142 FKORUROAYABRHJ-QGZVFWFLSA-N 350.503 3.109 0 3 FGAF CCOC(=O)c1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCO 34030372 FQALTRAXISBFAK-UHFFFAOYSA-N 357.237 3.258 0 1 FGAF COc1cc(OC)c2cc3c(cc2c1)-c1nc2ccc(N)cc2c(=O)n1C3 1911580743 OOYJQESEZIECHQ-UHFFFAOYSA-N 359.385 3.178 0 1 FGAF COc1cc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1 40935315 QJAQLNKXPMIWDB-ZDUSSCGKSA-N 367.380 3.414 0 1 FGAF Nc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1F 140189977 MQTIVRXHGJCGRT-UHFFFAOYSA-N 372.407 3.412 0 1 FGAF COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@@]1(C)c1ccccc1 299841363 ZKOYDZUUECJQQX-SFTDATJTSA-N 354.402 3.259 0 1 FGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)c(O)c1 587240553 KLBODVOACDNTFK-UHFFFAOYSA-N 373.416 3.233 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CN3CCOCC3)cs1)O2 587411294 SCLCBBOHSARZBI-HXUWFJFHSA-N 372.490 3.352 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)cc(Cl)cc41)[C@@H](C2)C3=O 587426613 DMRPQJUUPOSXQO-VOJFVSQTSA-N 359.740 3.083 0 1 FGAF COCCC[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798543 YPSNHOYGYSTLHI-ZBEGNZNMSA-N 360.267 3.391 0 1 FGAF COC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1 586882458 UIDZMCLXLRSXTQ-UHFFFAOYSA-N 350.374 3.278 0 1 FGAF [O-][n+]1ccccc1SCc1nc2ccc(F)c(Br)c2[nH]1 586969587 NHLVCDHNPVPBGE-UHFFFAOYSA-N 354.204 3.390 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)n(C)c4ccccc14)[C@@H](C2)C3=O 587430335 GUKMDGPGKZKQDX-RBZFPXEDSA-N 363.369 3.374 0 1 FGAF COc1cncc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 587019595 QMUSDBFWHRALBP-UHFFFAOYSA-N 371.447 3.328 0 1 FGAF COc1cc(-c2nc3cc(Br)ncc3[nH]2)cc(OC)c1O 587783908 BMMOKTAQBVPUBV-UHFFFAOYSA-N 350.172 3.110 0 1 FGAF N[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(Br)cc1F 587142473 BMUDALVUVHOKHQ-VIFPVBQESA-N 370.613 3.150 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(CO)cc3[nH]2)cc1 586969986 DSMAUHFCHLAHAG-UHFFFAOYSA-N 355.463 3.278 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586930311 JSUGTECHUCDZFP-UHFFFAOYSA-N 369.450 3.137 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)OC 169692168 WNBMQMMGBBWUOZ-XWOQTBLKSA-N 366.498 3.340 0 1 FGAF CCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 169694407 OAHPDFDFUSMLNR-AWEZNQCLSA-N 366.465 3.209 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cccc(F)c2F)nn1 203462451 PDBPPTKBYVFBLT-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF COC(=O)N[C@@H](C(C(=O)OC)=C(C)NCc1ccccc1)c1cccs1 1857623165 GYMVPSPYGOGQDI-QGZVFWFLSA-N 374.462 3.382 0 1 FGAF O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(O)cc1 1635932 LVBQCQQKNQYJIH-UHFFFAOYSA-N 357.369 3.153 0 1 FGAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cccnc2Cl)C1 3277354 BEKLIDDQMCZTNU-KZULUSFZSA-N 350.846 3.319 0 1 FGAF C[C@@H](CC1=N[C@H]2[C@@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330038 JPHHGFNKNXDZSD-IGJMFERPSA-N 358.751 3.205 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)N[C@@H]3CCCC[C@@H]3N2)cc1 27098495 WJASGKFVGUSBTB-ZWKOTPCHSA-N 373.460 3.100 0 1 FGAF Cc1ccc(NC(=O)C[C@@H](N)C(=O)O)cc1-c1ccc(F)c(Cl)c1 28528165 JNRKFKITCDCURS-OAHLLOKOSA-N 350.777 3.195 0 1 FGAF C[C@@H](O)c1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 27990145 FQFFWGMQXQFGSO-LLVKDONJSA-N 360.458 3.323 0 1 FGAF CC1(C)C[C@@]2(CN(S(=O)(=O)c3ccccc3)CCO2)c2ccccc2O1 45316026 WNMXKIYFIBRRIN-HXUWFJFHSA-N 373.474 3.164 0 1 FGAF COC(=O)c1ccc(-c2nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3o2)cc1 139371390 VRMGOIKUQIUNGI-NSHDSACASA-N 363.373 3.142 0 1 FGAF COc1[nH]c(O)c(C(=O)C(c2ccccc2)c2ccccc2)c(=O)c1OC 49033032 AUNYARXEWYHZQE-UHFFFAOYSA-N 365.385 3.113 0 1 FGAF Cc1ccccc1CN1C(=O)CSC[C@]1(C)C(=O)NCc1ccccc1 199230939 IEQJKRVIBZCWGV-OAQYLSRUSA-N 368.502 3.146 0 3 FGAF COc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594515 ISBXKXYHZLSGLX-INIZCTEOSA-N 374.433 3.028 0 1 FGAF biogenic,in-vitro O=C(Cc1ccccc1)NC(Cc1ccccc1)NC(=O)Cc1ccccc1 95574638 IPULHDXWPUAVBP-UHFFFAOYSA-N 372.468 3.273 0 1 FGAF O=S(=O)(CCC(F)=C(F)F)c1nc2ccc(OC(F)F)cc2[nH]1 299866703 WHTDHWUETJJNNI-UHFFFAOYSA-N 356.272 3.406 0 1 FGAF COC(=O)c1ccc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc2c1 299858575 DVNNDDZBSYOOIJ-UHFFFAOYSA-N 363.373 3.151 0 1 FGAF CCc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccc1 653662276 LDKPFRSNKQMFCP-UHFFFAOYSA-N 356.389 3.190 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NC(C)(C)C2)N1 587789220 AMESTDZZJOBYJU-FVMDXXJSSA-N 355.251 3.006 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436413 QHUQIYQFMIYHJQ-DEYYWGMASA-N 359.422 3.211 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cccc(Br)c21 587372325 PGEQJKIXFQRBCU-QGZVFWFLSA-N 373.206 3.153 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCC(=O)O)cc1)[C@@H](C2)C3=O 587441071 JBKSCTUHYINRJK-MGPUTAFESA-N 354.358 3.037 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 586917002 QQBYRHAGOSFQJO-VLIAUNLRSA-N 350.374 3.478 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 587231276 NDQZLWQCOQCJMI-HUUCEWRRSA-N 366.465 3.456 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(O[C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587440152 ORZCKBKUVCOPSI-SBOBAANCSA-N 368.385 3.210 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154015 BNHLUUXRKASZEO-ADLMAVQZSA-N 359.788 3.484 0 1 FGAF COC(=O)C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590342 CARUXAMVRFDPIQ-WIYYLYMNSA-N 368.385 3.456 0 1 FGAF COC(=O)c1cccc(OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1 219707414 WFRGQGMYQNJCJQ-CQSZACIVSA-N 365.426 3.224 0 1 FGAF biogenic CC[C@H](NC(=O)CCN)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772654650 FWYWFSBDPAOVKE-AWEZNQCLSA-N 363.820 3.021 0 1 FGAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1ccccn1 1772631029 DYNPVCASXNQPQL-UHFFFAOYSA-N 371.444 3.124 0 1 FGAF Nc1nc2c(cnn2CCCCc2ccccc2)c2nc(-c3ccco3)nn12 12405957 IOFSPRVFMMEYIS-UHFFFAOYSA-N 373.420 3.339 0 1 FGAF O=C(Nc1ccc(I)cc1)OCCCc1c[nH]cn1 13747058 WJGCASKOKIVMPM-UHFFFAOYSA-N 371.178 3.196 0 1 FGAF CCCC(=O)OCSc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 1857572599 KYXDPLZPICSELU-UHFFFAOYSA-N 372.446 3.431 0 1 FGAF Cc1cc2nc([C@H]3CCOC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247287 ANHBUKWTOYLNKK-ZDUSSCGKSA-N 374.448 3.254 0 1 FGAF O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1ccc(O)cc1 103203532 XDPBOLDHHNGQTG-UHFFFAOYSA-N 362.414 3.477 0 1 FGAF COc1c2occc2c(S(=O)(=O)Oc2ccccc2)c2ccc(=O)oc12 64550021 DXPNASSGKZOCAS-UHFFFAOYSA-N 372.354 3.316 0 1 FGAF CN1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223906 AHMWYDXFMUSDLV-OPAMFIHVSA-N 373.412 3.222 0 1 FGAF CCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C 26389081 YJLVMNYHBPCQKV-CNUHWHHESA-N 358.526 3.378 0 1 FGAF COCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 35310917 PSYBUXNHKWVEAI-UHFFFAOYSA-N 358.398 3.032 0 1 FGAF COc1cc(OC)c2c(c1)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)OC2=O 15117887 NRGPHWQAFGYQCD-CQSZACIVSA-N 374.389 3.184 0 1 FGAF biogenic COC(=O)/C(=C\c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 143045078 MHYOPIANRZHZKR-GDNBJRDFSA-N 358.390 3.435 0 1 FGAF CCNC(=O)Nc1nc2cc(-c3cncnc3)cc([C@H]3CCCO3)c2[nH]1 299839652 SWABWEQHPSEDED-OAHLLOKOSA-N 352.398 3.013 0 1 FGAF COc1cc(C(=O)c2noc(-c3ccc(C)cc3)n2)cc(OC)c1OC 653774510 IBBCPVVRMIYVJN-UHFFFAOYSA-N 354.362 3.302 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCNCC3)Oc3ccccc31)O2 587398119 CCZJSVZHJUVQGS-JOCHJYFZSA-N 364.445 3.343 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC1OCCO1)(c1cccc(F)c1)O2 587383275 ALEYSBUJNIXKOD-FQEVSTJZSA-N 357.381 3.340 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@@H](O)c4ccccc43)nc-2[nH]1 586901751 HXXUKNSAAMSNJJ-HZPDHXFCSA-N 373.416 3.191 0 1 FGAF COc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1 587656637 KBFORBOJRIIBNE-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586887605 INKZCOVYWBKWLD-IIBYNOLFSA-N 364.493 3.460 0 1 FGAF Oc1nccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999212 VYUHYRBWIYMJLI-OWOJBTEDSA-N 360.167 3.325 0 1 FGAF Cc1cccc2c1[nH]c1nc(-n3ncc4ccc(Cl)cc4c3=O)nnc12 587654648 MNDOJGRYCPUDLX-UHFFFAOYSA-N 362.780 3.167 0 1 FGAF COC(=O)c1cccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c12 586880910 CYYHBPOJZSHSDH-UHFFFAOYSA-N 350.374 3.278 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2O)N1 587773910 SCZUBNMVOYIARJ-JDNHERCYSA-N 351.219 3.487 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C)cnc4[nH]3)CC2)cc1 586955041 SGBXPHJZDPLWHT-UHFFFAOYSA-N 370.478 3.143 0 1 FGAF O=Cc1cc(Br)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586983266 XXAVVHOXAZHRBT-UHFFFAOYSA-N 357.167 3.387 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC[C@H](C(F)(F)F)C[C@H]1N)N(C)[C@@H](C)C2 962621012 AXYIGUANUXVJFC-WQVQDQMGSA-N 372.431 3.465 0 1 FGAF Cc1c(F)ccc2c1[C@@]1(CCNc3nc(Br)ccc31)NCC2 962148236 RWJZPOBMBIXNJA-KRWDZBQOSA-N 362.246 3.497 0 1 FGAF COc1cc(O)c2c(=O)oc(-c3cc(OC)c(OC)c(OC)c3)cc2c1 1772648948 CLLYJOXPILZGFR-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF CCOc1ncn(-c2ccc(NC(=S)Nc3cccc(O)c3)cc2)n1 5499923 NBVNBTRMNQQKNM-UHFFFAOYSA-N 355.423 3.181 0 1 FGAF CCCCC/C=C\C[C@@H](O)[C@H](O)[C@H](O)/C=C\C/C=C\CCCC(=O)O 12495382 GOHNIXDAQODZKP-GNPRSTINSA-N 354.487 3.353 0 1 FGAF endogenous,in-man Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccccn2)cc1 13759009 KFIXZCBKNMPGRI-UHFFFAOYSA-N 366.440 3.474 0 1 FGAF CC(C)c1ccc(CC(=O)N=c2ccn(CCOCC(F)(F)F)[nH]2)cc1 1857753246 YUNHZQAZEUAIQC-UHFFFAOYSA-N 369.387 3.189 0 1 FGAF C[C@H](CCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356345680 XUGAOOQYBZSMCP-ZQOJQMTGSA-N 358.475 3.010 0 1 FGAF C[C@H]1CC=C(c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)CC1 27895147 UFEQOBUNUJJAPT-VIFPVBQESA-N 352.221 3.431 0 1 FGAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C[C@H]2CC=CCC2)CC1 117377006 TVWRSURMNYXPIC-HOTGVXAUSA-N 367.493 3.123 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1O 2356664014 DJHDOMQWAUJNKX-PBFVBANWSA-N 372.417 3.493 0 1 FGAF O=C1OCC(=C\c2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2 33982658 YBTVCUSZMGXJNW-FDNBCEJMSA-N 350.326 3.168 0 1 FGAF biogenic,in-vitro CCn1c2ccccc2c2nnc(SCC(=O)NC(C)(C)CC)nc21 7096810 WXKZDHLZIMCADT-UHFFFAOYSA-N 357.483 3.396 0 1 FGAF biogenic C[C@H](C1CCN(Cc2c(Cl)cncc2Cl)CC1)N1CCN(C)CC1 77490052 YSUODSXLKHOZOW-CQSZACIVSA-N 371.356 3.236 0 1 FGAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@@H]3C[C@H]3C(=O)O)c2cn1)c1ccccc1 219767191 KTFYTEZRZJPGEJ-RAIGVLPGSA-N 365.393 3.029 0 1 FGAF COc1ccc(CS[C@H]2CCCC[C@]23NC(=S)NC3=S)cc1 45189376 PNXBWBPSEJEXDM-BBRMVZONSA-N 352.550 3.415 0 1 FGAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@H]2O 137020158 WXDRQRFIODIFPC-GMLUQMLDSA-N 360.450 3.125 0 1 FGAF O=C(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1 82155000 LQYQBSQPJJZUBK-UHFFFAOYSA-N 352.394 3.065 0 1 FGAF CNc1nc(NCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 82131542 JMHHCDIYMARTNZ-UHFFFAOYSA-N 354.410 3.309 0 1 FGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3C)cc2)C1=O 146387347 YPYFNBBTDINBKU-UHFFFAOYSA-N 374.462 3.415 0 1 FGAF COC(=O)[C@]12C[C@@H](C)[C@@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 195427259 CTAGORHSTSPKPD-NWFAKNGFSA-N 367.367 3.433 0 1 FGAF CC(C)[C@@H]1c2c(F)cccc2CCN1C(=O)CNCC1(O)CCCCC1 473110915 XTELEEOYKMXYNQ-HXUWFJFHSA-N 362.489 3.192 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]341 299809136 HZCJHCKFTKJLFP-DJDZNOHASA-N 353.462 3.104 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(O)c2)N1 587771517 MCVCGMXBZQNAAA-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)C(F)(F)F)CC1)CC2=O 587459513 CXOPBUMFDLXFFX-UHFFFAOYSA-N 371.355 3.233 0 1 FGAF COc1cc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2cn1 586970962 QNBXCPYHUFZTJF-UHFFFAOYSA-N 356.451 3.189 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cccnc12 587587259 NGJBJKZYYTWRNY-LAUBAEHRSA-N 361.353 3.427 0 1 FGAF Nc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1CC(=O)O 587249372 JYJCAPQNNSLRTF-UHFFFAOYSA-N 351.284 3.338 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587233641 VANJXYRJHSGOTK-SLEUVZQESA-N 359.430 3.447 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587236378 VPBCBDAXXNCQLF-WDSKDSINSA-N 362.149 3.194 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)c2)N1 587742496 ADFDKCYBMQKPGS-FVMDXXJSSA-N 350.235 3.193 0 1 FGAF Clc1ncc2nc(CCNc3ccc(Br)cc3)nc-2[nH]1 586995759 NZJVXVZKMHPKMK-UHFFFAOYSA-N 352.623 3.375 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncs1 587869366 IEBHHKGNLMPEPQ-UHFFFAOYSA-N 354.313 3.118 0 1 FGAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(OC(C)C)cc3[nH]2)cc1 586946650 NQOFRONRCZSNPI-UHFFFAOYSA-N 373.478 3.043 0 1 FGAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CO)C2 5835418 GWQSWLMEYHNEJW-GFCCVEGCSA-N 374.458 3.094 0 1 FGAF O=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O 13493248 MZZKPCVBDUNXJD-UHFFFAOYSA-N 353.466 3.353 0 1 FGAF COc1ccc(CC2(CO)CCN(C(=O)NCc3ccccc3)CC2)cc1 13595957 YNSCCYCFTUNWJD-UHFFFAOYSA-N 368.477 3.222 0 3 FGAF COc1ccc2c3c(c(=O)oc2c1OC)CN(Cc1ccccc1)CC3 13764620 ITUXESRMFODXIB-UHFFFAOYSA-N 351.402 3.369 0 1 FGAF COc1cc2c(c(OC)c1O)-c1c(OC)c(O)cc3c1[C@H](CC2)N(C)CC3 14645575 XIAFHEPVPAAURO-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(O)c(OC)c3o2)cc1 14645382 IPCCBZZCWJJFIF-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1cccnc1)CCCC3 169686322 QKASVMQQXRDCAW-IRXDYDNUSA-N 364.449 3.355 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2O[C@@H](CCCCC(=O)O)C[C@H]21 169692160 RJADQDXZYFCVHV-WLTNHLDNSA-N 354.487 3.283 0 1 FGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2coc3ccccc23)C(=O)O1 1857636949 PKUWFMAWUYFHHA-BNCSFYMNSA-N 358.390 3.084 0 1 FGAF COc1cc(C[S@@](=O)c2nc3cscc3[nH]2)ncc1Br 1485842 HQQZAKIRPZTALV-FQEVSTJZSA-N 372.269 3.098 0 1 FGAF O[C@]1(c2ccc(Cl)cc2)c2ccc(CN3CCCC3)cc2C2=NCCN21 6041421 GVDCZRJSTYCQKW-OAQYLSRUSA-N 367.880 3.205 0 1 FGAF Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCSCC2)[nH]c1=O 28866770 ZUVVXYGGMSOHJK-SNVBAGLBSA-N 351.422 3.062 0 1 FGAF CCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1 71316806 BHUWNXRTMJPFCN-UHFFFAOYSA-N 356.378 3.218 0 1 FGAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C=C[C@@H](C[C@H]2[C@]1(C)CC(=O)O)[C@@](C)(O)C3 39008276 YHZNHPVFDPUEIG-PYXTYQLLSA-N 350.455 3.322 0 1 FGAF COC1=C[C@]2(Oc3ccc(-c4ccccc4)cc3C2=O)C(OC)=C[C@@H]1O 73164802 UIKNUDQQFMPSEC-KKSFZXQISA-N 350.370 3.103 0 1 FGAF O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 49785676 HAOXLWHTJOXRAS-IQUTYRLHSA-N 360.413 3.406 0 1 FGAF O=C(c1ccc(Oc2nccnc2-c2cncnc2)cc1)c1ccccn1 147585758 ULWUNIJJUSLRPS-UHFFFAOYSA-N 355.357 3.352 0 1 FGAF C[C@H]1CCCN(C(=O)CCC2=NCc3ccnc(NC4CCOCC4)c32)C1 96175962 NJIKJWJLJPZUTA-HNNXBMFYSA-N 370.497 3.014 0 1 FGAF CC(C)N1CCN([C@@H]2CCCn3nc(COc4ccccc4)cc32)CC1 299835326 DIYRDYBGBSZOCO-HXUWFJFHSA-N 354.498 3.323 0 1 FGAF CC[C@H]1OCCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586907513 AYRGKDZNVXDBFW-UONOGXRCSA-N 353.426 3.295 0 1 FGAF COC(=O)c1occc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614983 DZJIGSKCQHBMAE-YJBOKZPZSA-N 366.325 3.475 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(O)c(Cl)cc41)[C@@H](C2)C3=O 587420774 JBUNAYHWZLKHHG-BUXKBTBVSA-N 358.777 3.480 0 1 FGAF COC(=O)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587077211 RRUQJDCBJGIYKK-HNNXBMFYSA-N 356.769 3.015 0 1 FGAF COC(=O)[C@H](C)[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641803 SGXVIIVIHWFCAP-NYDSKATKSA-N 364.489 3.458 0 1 FGAF Cc1ccc(CNC(=O)[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)o1 13478296 ONFOUFXEFHSZIX-OAHLLOKOSA-N 352.312 3.416 0 3 FGAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2 13806880 NKJVDKFKDYMREK-OAQYLSRUSA-N 361.489 3.493 0 1 FGAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC 150081528 GZFALHNMNSLDGP-UHFFFAOYSA-N 360.454 3.209 0 1 FGAF COC[C@@H](COc1cccc2cnccc12)NCc1ccccc1OC 169329849 KEZCEPMFJNIMGR-SFHVURJKSA-N 352.434 3.427 0 1 FGAF COC(=O)[C@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C 169355734 XUMFBWVLWILAGJ-NSISKUIASA-N 366.461 3.391 0 1 FGAF COc1cc2ncc(-c3cccc(O)c3)n2cc1S(=O)(=O)C(C)(C)C 1857745946 VNCGEIVKUYOJDI-UHFFFAOYSA-N 360.435 3.288 0 1 FGAF O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 627400 ZPASTVSIWVFWPZ-HOTGVXAUSA-N 370.449 3.355 0 1 FGAF O[C@H]1[C@H](N2CC=CC2)c2ccccc2C12CCN(Cc1ccoc1)CC2 20119035 DGWQHRBNJZKSNX-RTWAWAEBSA-N 350.462 3.101 0 1 FGAF CC(=O)NCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26188579 OKLPQZPYKXEFER-TZIWHRDSSA-N 371.431 3.411 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1C 28234407 KBCRMXSUCDJIGK-UHFFFAOYSA-N 361.873 3.101 0 1 FGAF COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28527726 PRYUUYRGVGJMAB-OZIGNCPNSA-N 366.461 3.332 0 1 FGAF CSc1nc(N2CCOCC2)c2cnn(/C=C\c3ccccc3)c2n1 28569863 DPQUKIYXXDPBGA-FPLPWBNLSA-N 353.451 3.013 0 1 FGAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4C=CN(C2=O)[C@@H]13 2356536411 KBQSMQIJFZDQGF-UFUGXISJSA-N 350.418 3.210 0 1 FGAF N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 66076124 REOUECWEXCRKKK-SFHVURJKSA-N 367.424 3.243 0 1 FGAF COc1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12 36380173 WLIDASKBYGGIAI-UHFFFAOYSA-N 356.436 3.042 0 3 FGAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccccc3)C2)cc1 73295087 MHPKGGGCCZJCKM-KRWDZBQOSA-N 351.431 3.476 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)CC=C(CO)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21 13432582 FPUSCWGZFFIOSW-XMGTWHOFSA-N 374.477 3.434 0 1 FGAF biogenic O=C(O)c1cn(Cc2nc3ccccc3s2)c2cccc(F)c2c1=O 71341676 SXENGPZDSPBEFO-UHFFFAOYSA-N 354.362 3.497 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)[S@]2=O 40587741 NKUSUAHXFNBDLN-KLKYFPMNSA-N 357.269 3.005 0 1 FGAF O=C(c1cccs1)N1CCC[C@@H](c2nnn(-c3cccc(Cl)c3)n2)C1 49045947 BFDUPMSTYVRARD-GFCCVEGCSA-N 373.869 3.397 0 1 FGAF O=C(O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 84713132 REZNGTHNORBVHI-UHFFFAOYSA-N 370.386 3.498 0 1 FGAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 82212277 OJHFLAPDNQJXFQ-ZDUSSCGKSA-N 374.460 3.032 0 1 FGAF COc1cc2occ(-c3ccc4c(c3OC)OCO4)c(=O)c2cc1OC 238758827 QWOHZXOCNVUZPS-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cccc21 145695364 GFLQUHMTLXKNCU-QGZVFWFLSA-N 351.381 3.487 0 1 FGAF C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=O)NC1=O 95593009 XDCLEBSPQIQGHU-WSPCNJHZSA-N 352.209 3.480 0 1 FGAF Cc1nc(N2[C@H](CO)[C@H](c3ccccc3)[C@H]2CNCC2CCC2)sc1C 95871692 AGFYXGNEMQQXFO-VAMGGRTRSA-N 371.550 3.483 0 1 FGAF CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Nc3ccccc3)ccc21 621430793 IVAHLLQTMMILGQ-UHFFFAOYSA-N 371.245 3.094 0 1 FGAF CCNC(=O)NC[C@H]1CCc2c(OC)cccc2N1Cc1ccccc1 473111504 BIRNOEALVWVAKS-QGZVFWFLSA-N 353.466 3.336 0 1 FGAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCCN(C)c1ccccc1 299878902 JXYVZUSTLSRKFF-ROUUACIJSA-N 369.513 3.337 0 1 FGAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1Cc1cccnc1 587393062 YOJPFRBNFDGTIP-OAQYLSRUSA-N 363.417 3.013 0 1 FGAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586997767 UPCDTJNJXGSSQJ-CYBMUJFWSA-N 374.238 3.355 0 1 FGAF COc1nccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043192 QLROJYZMBDFECI-GFCCVEGCSA-N 360.826 3.275 0 1 FGAF C[C@@H]1C[C@@]2(CN1C1CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582876 OQKWCCWSMWZWDN-MPKWNAGQSA-N 351.402 3.349 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229634 JLGLTOFJIBBHOD-UHFFFAOYSA-N 350.407 3.021 0 1 FGAF FC(F)COc1cccc(-c2nc3nc(Br)ccc3[nH]2)n1 587125977 URJZRAPFDLKYRP-UHFFFAOYSA-N 355.142 3.426 0 1 FGAF COC(=O)COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402457 XYJLJDTZLYQMDJ-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF CC[C@H](c1nc2cnccc2[nH]1)n1cc(I)c(C)n1 587185351 SBZORAUBCGPUDI-GFCCVEGCSA-N 367.194 3.067 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Cl)nc4[nH]3)cc12 587039360 XEXXXCRQBPASJE-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF Nc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1F 587139454 KABKAKCGFCKBFG-UHFFFAOYSA-N 359.304 3.245 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OCO4)cs1 587014808 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Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(F)cc4[nH]3)cc12 587037935 NVHPCIMCXILCBQ-SECBINFHSA-N 357.414 3.450 0 1 FGAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 587112746 NDDFGOPZRJVOHJ-QMMMGPOBSA-N 371.413 3.192 0 1 FGAF COC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165163 LNKOOXAJJHORSS-UHFFFAOYSA-N 350.353 3.400 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587194529 HZFYPZHXVZZAMZ-UHFFFAOYSA-N 359.437 3.226 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(C)(=O)=O)c(F)c1)O2 587386717 WMSHJRYZLDTJCC-GOSISDBHSA-N 363.410 3.000 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC[C@@H]4CO4)c1)[C@@H](C2)C3=O 587455077 IKGQWZKWBYOXLB-WWMYMODYSA-N 352.386 3.136 0 1 FGAF C[C@]1(c2ccccc2OCC(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587508933 GTNLBTFMIIOWLN-JOCHJYFZSA-N 365.429 3.310 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1CC[C@@H]2CC1=O 587605077 XDRKJMDPJZQZIP-YURKBZCXSA-N 350.370 3.482 0 1 FGAF CCN(CC)Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 587652525 UDCJWCRDWGKXKF-UHFFFAOYSA-N 359.813 3.173 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587720325 MOLLPQWJQAHUBG-ZBVHDKTDSA-N 362.214 3.239 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2CCF)N1 587720708 UGLPPHZFUCGXSG-BJOHPYRUSA-N 356.214 3.378 0 1 FGAF C=C1NC(=O)NC=C1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799452 XGMOPCPZYYNNKH-BCTVWOGZSA-N 366.234 3.048 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587806098 JCYIATUBRFBWIK-ILMHXZGMSA-N 368.246 3.457 0 1 FGAF CCc1ccc2oc(C(=O)N3CCN(c4ncccn4)CC3)c(C)c2c1 621486010 YPOWFDKUJGHLNG-UHFFFAOYSA-N 350.422 3.056 0 1 FGAF O=C(COc1ccc(C(=O)c2ccccc2F)cc1)Nc1cccnc1 653781756 TUEBSTDUBZUWHX-UHFFFAOYSA-N 350.349 3.469 0 1 FGAF CCC(=O)C[C@]1(CC)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703996 TYZHLVZUJXHZJX-HOCLYGCPSA-N 361.335 3.418 0 1 FGAF CCCC/C=C1\SC(=O)N([C@@H](C)C(=O)NOCc2ccccc2)C1=O 1857539777 QVQFGRCVIXGSMS-WZMONFQBSA-N 362.451 3.392 0 1 FGAF COC[C@H]1CCCN1C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@@H](C)O 2356497226 FYHIZHOFZHNXAI-BXUZGUMPSA-N 364.829 3.299 0 1 FGAF CC[C@]1(C)OC(=O)c2c1cc(OC(=O)c1c(C)cc(O)cc1O)c(C)c2O 2356717100 GZOHFFLUJQDNFV-FQEVSTJZSA-N 372.373 3.435 0 1 FGAF C[C@@]12C[C@H]3C=C(Cc4ccccc4)[C@@H]1[C@H](O)[C@]1(CO)CC[C@H]1[C@@](O)(C3)C2 2356779963 GYLMOFNQXNCIAR-XCMKZIPISA-N 354.490 3.086 0 1 FGAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)cc1 61903907 WVMXUGOHEKCOQO-FQEVSTJZSA-N 358.388 3.445 0 3 FGAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3OC)[nH]n2)cc1OC 61908979 LPGNRGGVEXRGCR-UHFFFAOYSA-N 371.368 3.494 0 3 FGAF CCCCN1C[C@H](CSC)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O 61923615 UUGHQANEKWDSNT-RHSMWYFYSA-N 364.511 3.262 0 3 FGAF COc1ccc(C[C@H](C)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 2356647889 XCMBSKCLDDUGOR-WMLDXEAASA-N 358.434 3.462 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@H]3F)[nH]c2cc1C 2356655961 CPQPBYUKNSJJPD-VQIMIIECSA-N 372.419 3.453 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356657017 QWSTXDYLWYYYTH-XGHDSRBHSA-N 355.482 3.348 0 1 FGAF COc1ccc([C@H](O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 28525310 BFMVLFRBLSHGFU-RTBURBONSA-N 357.450 3.365 0 1 FGAF O=C(O)CCNCCOCCN1c2ccccc2CCc2ccccc21 96929374 KDPCOTMDCXYAMM-UHFFFAOYSA-N 354.450 3.004 0 1 FGAF CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl 95894431 FPDNDFIICFJGNT-SQNIBIBYSA-N 357.841 3.151 0 1 FGAF Cc1cccc2c1CCN(C(=O)CNCC1(O)CCCCC1)[C@H]2C(C)C 473110123 VDQSXSDWQNMXDH-NRFANRHFSA-N 358.526 3.362 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc(O)c1Br)O2 587379012 ZLUCDGANNULARX-CYBMUJFWSA-N 364.195 3.457 0 1 FGAF Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586893415 VYZAERXGZHPEAC-GFCCVEGCSA-N 359.254 3.399 0 1 FGAF O=C1CCc2cc3nc(-c4ncc(Br)cc4F)[nH]c3cc2N1 587157213 JADJSCJSTPSNAC-UHFFFAOYSA-N 361.174 3.411 0 1 FGAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(N)c(N)cc3[nH]2)c1 587242598 XDOZHMMRUSCCGM-UHFFFAOYSA-N 355.398 3.447 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(C(N)=O)c2[nH]1)C1CCCC1 587226782 SMPLSPUOIWYJIM-CQSZACIVSA-N 358.442 3.418 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(N)=O)N1 587750017 QYZMQPWQXDKUCX-XXFAHNHDSA-N 363.230 3.311 0 1 FGAF CCOC(=O)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254106 GKTANRWGRDBCJE-UHFFFAOYSA-N 359.389 3.276 0 1 FGAF CS(=O)(=O)/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586923409 KNRQFBHMWBVEEJ-SNAWJCMRSA-N 369.162 3.360 0 1 FGAF COC[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614009 ZYOWOGLVDNWPCM-NQIIRXRSSA-N 370.401 3.166 0 1 FGAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587950290 AQXRSOMNUKQCIA-OZVIIMIRSA-N 351.472 3.257 0 1 FGAF CCN1C[C@@H]2CCC[C@H](C1)C21c2c(Cl)ccc3c2CCN1[C@@H]3C(=O)O 962570152 HYBGIZITFWYLTH-SATVSIKWSA-N 360.885 3.285 0 1 FGAF CCOc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1 207168439 OSQZFKDUYQWOQZ-UHFFFAOYSA-N 351.454 3.378 0 1 FGAF CN(C)[C@H]1CN(Cc2ccn3ccnc3c2)C[C@@H]1c1cn(C)c2ccccc12 1772602664 RLFVLAHATHWHJI-IRLDBZIGSA-N 373.504 3.356 0 1 FGAF C[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 169289560 BIZMIUGITFUEIN-TTWBKHLISA-N 353.462 3.047 0 1 FGAF C[C@@]1(c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)COCC(N)=N1 168201149 UQWORNKFBSCKMK-KRWDZBQOSA-N 351.397 3.053 0 1 FGAF CCOC(=O)N1CCN(C(=O)c2ccc3cc4c(nc3c2)CCCC4)CC1 1857588119 YMYFCDFYTNCCDJ-UHFFFAOYSA-N 367.449 3.028 0 1 FGAF Cc1cc(NN)n2nc(SCc3c(Cl)cccc3Cl)nc2n1 1857613005 WCYHXAJXBHTXBM-UHFFFAOYSA-N 355.254 3.317 0 1 FGAF COc1ccc2c(c1)N(C)[C@H]1c3cc4cc(OC)ccc4n3CCN1C2=O 221952114 HKHCVENOCQFSGK-HXUWFJFHSA-N 363.417 3.263 0 1 FGAF CCO[C@H]1C[C@]2(CC)CCCN3CCC(=O)c4ccccc4N1C(=O)[C@H]32 2356412611 VSONJQXJDWRLPF-ZJOUEHCJSA-N 356.466 3.233 0 1 FGAF CCCCN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(Cl)cc1 6803591 XYFVLRWGIMTWFQ-KGLIPLIRSA-N 358.916 3.215 0 1 FGAF COc1ccc(C(=O)N2CC[C@@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 2356290342 QEPMKWBHMPDNTG-QGZVFWFLSA-N 366.417 3.375 0 1 FGAF Cc1c(CN(C)c2cc3ccccc3[nH]2)c(=O)on1C(=O)N1CCCCC1 26940482 UXIUBZDUPGNQBW-UHFFFAOYSA-N 368.437 3.321 0 1 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4nccs4)CC3)CC2)nc1 100803088 MTQWOJOFKUQLJW-CALCHBBNSA-N 372.542 3.116 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]3CC2 2356456765 PHVBYKAXONRGRQ-ZIINTYDKSA-N 362.510 3.460 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 2356603896 OMIIAMVKAQNJCI-SCCSRDGTSA-N 360.494 3.213 0 1 FGAF Cc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)o1 20857342 GSGJFZGDVLRGMR-RTWAWAEBSA-N 363.461 3.282 0 1 FGAF O=C(NCc1cccnc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61907330 AAAFCIOIVLBHKA-SFHVURJKSA-N 365.820 3.417 0 3 FGAF COc1ccccc1CNc1ncnc2c1CN(c1ccc(C)cn1)CC2 35077821 FIXOWTFOEIUTMF-UHFFFAOYSA-N 361.449 3.363 0 1 FGAF C/C=C/C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 33833380 MHLKYRDXNNGAMX-WLMAVBAVSA-N 372.373 3.056 0 1 FGAF biogenic,in-vitro CC1(C)O[C@@H]2Oc3ccc4c(=O)cc(-c5ccccc5)oc4c3[C@H]2[C@@H]1O 14695516 XBKLVCYSINXGAW-IHPCNDPISA-N 350.370 3.432 0 1 FGAF biogenic CCOc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 45495941 DTTQGDZVHYZNTQ-SFHVURJKSA-N 351.358 3.182 0 1 FGAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cs1 82069393 LYGUAXBCYIZVFW-OAHLLOKOSA-N 363.527 3.254 0 1 FGAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]3C1 253663421 IJNLAPNMNMHBJS-FUYTYTCGSA-N 369.505 3.452 0 1 FGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnccc2[nH]1 586999793 CWXGTUYQODOWNX-LBPRGKRZSA-N 356.227 3.444 0 1 FGAF Cc1nn(C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583176 ULBPZQUZELKCPD-FXAWDEMLSA-N 350.374 3.445 0 1 FGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnccc2[nH]1 586939848 XTEGLLSYRZFDNO-OAHLLOKOSA-N 364.858 3.287 0 1 FGAF CCOC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025496 NEPNDCQIYOXHKV-UHFFFAOYSA-N 352.466 3.172 0 1 FGAF CCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869318 GPSRSTPYBXZCSX-UHFFFAOYSA-N 358.389 3.495 0 1 FGAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC 587400573 QZOBLDPIBSQKFA-GOSISDBHSA-N 355.390 3.469 0 1 FGAF N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(Br)cc1F 587142472 BMUDALVUVHOKHQ-SECBINFHSA-N 370.613 3.150 0 1 FGAF CC(C)c1nn(C)c2c1[C@](c1ccc(Cl)cc1)(c1cnccn1)NCC2 962916115 IXDLQXXOXNBAQM-FQEVSTJZSA-N 367.884 3.425 0 1 FGAF CCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 1772583627 YXSDBYQEISUMKS-UHFFFAOYSA-N 358.404 3.452 0 1 FGAF CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2)C1 13442764 LIFIXDQFNMGEIK-UHFFFAOYSA-N 368.458 3.232 0 1 FGAF CC(C)(C)c1ccc(CNC(=S)NCc2ccc3[nH]nnc3c2)cc1 13672890 CIQMMEIAQZWALO-UHFFFAOYSA-N 353.495 3.420 0 1 FGAF CCc1nnc(S)n1N/C=C1\C=Nc2ccc(Br)cc21 15953009 OUFXSBSKHSOWKW-BQYQJAHWSA-N 350.245 3.192 0 3 FGAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NN1CCOCC1 6524427 ZMXNDHMEZPELEG-UHFFFAOYSA-N 357.254 3.093 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2CCOc2ccccc2)c1 61926156 OKBBNDRNXDDHOW-NRFANRHFSA-N 370.449 3.186 0 3 FGAF CCc1cc(CC)c(C(=O)C[C@H](SCC(=O)O)C(=O)O)c(CC)c1 28476282 VPWVHPRCVVRQET-HNNXBMFYSA-N 352.452 3.218 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)C[C@H](O)[C@@H]12 2356574043 KZKYFFVJJQLCMA-OUWZSBNWSA-N 372.505 3.380 0 1 FGAF C[C@@H](OCc1ccccc1)[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 2356829536 IZIRUFQEIQRNBR-QAPCUYQASA-N 357.406 3.314 0 1 FGAF COc1cc2c(c(OC)c1O)-c1c(O)c(OC)cc3c1[C@H](CC2)N(C)CC3 3619116 JCWDQBQBVNMMNK-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic CNc1cccc2c1c1c(n2S(=O)(=O)c2ccc(N)cc2)CCCC1 36093361 SJSBLKIHNKTTJU-UHFFFAOYSA-N 355.463 3.381 0 1 FGAF C=C(Cl)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 218986865 SYSXRRPIQONLSF-UHFFFAOYSA-N 370.796 3.493 0 1 FGAF CC[C@@H](C)C(=O)O[C@H]1C/C=C(\C)[C@@H](O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C 138410738 XVMRFXLOVBJZJH-ZRRGBTDESA-N 350.455 3.169 0 1 FGAF CCOCc1cnc(C)nc1CNC(=O)c1c(C)[nH]c2ccc(C)cc12 45302286 YORKPINGEFZKSV-UHFFFAOYSA-N 352.438 3.350 0 1 FGAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCN3CCCC3)cc(O)c12 40425046 DKASOPHTJITJDJ-UHFFFAOYSA-N 367.401 3.346 0 1 FGAF O=C([C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1CCOCC1 1911572805 SRESCQOVSGPTNH-NSHDSACASA-N 362.779 3.044 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2O[C@H]([C@@H]3O[C@H]32)[C@@H]1C/C=C\CCCC(=O)O 195049939 UHWPQNIXJFNMHO-QHYZTAIVSA-N 364.482 3.466 0 1 FGAF COc1ccc2c(c1)O[C@@H]1c3[nH]c4ccc(OC)cc4c3CCN1C2=O 220302137 ATVAPEMZNAGRMM-HXUWFJFHSA-N 350.374 3.275 0 1 FGAF COc1ccc(CS[C@@H]2CCCC[C@]23NC(=S)NC3=S)cc1 45189373 PNXBWBPSEJEXDM-CJNGLKHVSA-N 352.550 3.415 0 1 FGAF Cc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2Cc2ccccc2)cc1 199214119 YPYUKXORWMUTGX-OAQYLSRUSA-N 361.449 3.068 0 3 FGAF O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC(F)(F)C2 144110248 MEKYNOFETGQGRE-UHFFFAOYSA-N 357.364 3.031 0 1 FGAF CCCCCCCCCCCCNC(=O)[C@H]1CCN1C(=O)[C@@H]1CCCN1 148366667 MCNHRZVPBHWKHL-RBUKOAKNSA-N 365.562 3.376 0 1 FGAF CCCSC(=S)N1CCN(C(=S)NCc2ccccc2)CC1 299865617 NZDBKRIXZHVMAW-UHFFFAOYSA-N 353.582 3.107 0 1 FGAF CCOC(=O)[C@@H](COC(=O)c1ccccc1OC(C)=O)c1ccc(F)cc1 653733803 YCNVXLCPCNYTRB-KRWDZBQOSA-N 374.364 3.255 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COCOC2)N1 587836686 XGWHKUPMOOAMDO-QLJPJBMISA-N 358.251 3.348 0 1 FGAF COc1ccc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427807 GDZFGJOZMNELHI-WTWWRMFKSA-N 365.429 3.422 0 1 FGAF O=C(N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587202145 GBGSMDPBQBTOIG-AWEZNQCLSA-N 373.796 3.138 0 1 FGAF Nc1ccnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587001657 OUUVQEVAIJPBLT-UPHRSURJSA-N 373.210 3.244 0 1 FGAF OCCc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006323 FHYFOCVBPULQMB-UHFFFAOYSA-N 357.211 3.175 0 1 FGAF COC(=O)[C@@H](C)[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443266 NCVFWORUEQCHIC-OLPMXTGOSA-N 366.413 3.233 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cncc(Cl)c3[nH]2)C(F)(F)F)n1 587094364 QNMLEURSPBVDDQ-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556144 NOTJZPOXJFYOBY-MOXGXCLJSA-N 374.364 3.404 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)cc2[nH]1 587201982 FBQHYAFFDRVJRJ-OAHLLOKOSA-N 357.341 3.144 0 1 FGAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)s1 587013836 CMQCCFHASALRLL-VIFPVBQESA-N 358.423 3.423 0 1 FGAF O=C(Nc1nc(Cc2nc3ccc(CO)cc3[nH]2)cs1)c1cccs1 587019885 ZEIVMAARGMTCPH-UHFFFAOYSA-N 370.459 3.416 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587016716 AXGCELKPULXTTQ-UHFFFAOYSA-N 362.827 3.186 0 1 FGAF CNS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533441 UDLUBIXCOGQXFX-LJQANCHMSA-N 371.458 3.180 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOC[C@H]1OCc1ccccc1)O2 587411862 KXXNKDOYJRJRJW-TZIWHRDSSA-N 353.418 3.287 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccn2n1 587870238 YYMHMVNKSOQILE-UHFFFAOYSA-N 360.299 3.004 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1cccn(C(F)F)c1=O)N(C)[C@H](C)C2 962633298 VDAODCZJAZCDOO-BDJLRTHQSA-N 364.392 3.226 0 1 FGAF Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(-c2ccnn2C)c1 962906345 XUBPOYZQLDADNI-AZUAARDMSA-N 365.408 3.223 0 1 FGAF COCCc1cnc2[nH]cnc(-c3ccc4c(c3)N(C#N)CC(F)(F)O4)c1-2 1857774353 GSUPTQSWBIANCU-UHFFFAOYSA-N 371.347 3.038 0 1 FGAF c1ccc2c(c1)CCC[C@H]2Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225961864 AHJAGGVQXVXBBG-INIZCTEOSA-N 357.421 3.245 0 1 FGAF CN(C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1)c1ccccc1 2356474179 GZDBUPRMPUGVRU-ONTIZHBOSA-N 363.505 3.263 0 1 FGAF Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1Cl 4845832 TWWAHIUATHNMIQ-OGRXGRENSA-N 360.841 3.008 0 1 FGAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 4894527 JQTOJNNWHKJNRC-AUUYWEPGSA-N 352.434 3.307 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4O)[C@@]3(C)CC[C@@H]21 2356388604 LATVQMDENFSLIO-HCQXTIFFSA-N 362.466 3.354 0 1 FGAF CC(C)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 28525788 OWLZZCPSTMOUNP-UHFFFAOYSA-N 355.225 3.355 0 1 FGAF CC(C)CCN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 66123530 IIMRJJUYMCFIEJ-AWEZNQCLSA-N 356.869 3.485 0 1 FGAF CCC[n+]1ccn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C 26817792 IVWLNDMKSBSIBD-UHFFFAOYSA-O 362.497 3.356 0 1 FGAF COc1ccc([C@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259674 YZCPEPBZYIZWJR-KPZWWZAWSA-N 357.406 3.445 0 1 FGAF CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1 63298297 UPPGGRZNGRFDAU-UHFFFAOYSA-N 374.448 3.350 0 1 FGAF COc1cc(C[C@H](C)NC(C)C)c(OC)cc1I 26014913 YLUJOPJDPLCTEA-JTQLQIEISA-N 363.239 3.237 0 1 FGAF O=C(O)CCC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCCO 2356712100 PTJFJXLGRSTECQ-RBUKOAKNSA-N 352.471 3.131 0 1 FGAF N[C@@H](CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O 28528609 VNESGVWLCUTKMJ-AWEZNQCLSA-N 352.312 3.113 0 1 FGAF COc1cccc2c1OC[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)C2 66080582 KAULBGZYEKPLDK-CQSZACIVSA-N 374.400 3.041 0 1 FGAF COc1cccc2c1C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66080578 IOWQKWNFTIUJRR-ZDUSSCGKSA-N 374.400 3.041 0 1 FGAF NC1=NC2(CCCCCC2)N(Cc2ccc(Cl)c(Cl)c2)C(N)=N1 72105016 RGEBHOKQTBEZKC-UHFFFAOYSA-N 354.285 3.489 0 1 FGAF CCOCCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1=O 45252961 NAWKKCKJNQCCAO-UHFFFAOYSA-N 369.248 3.122 0 1 FGAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)cc2O)c(C)c1O 14591766 SAFYHKBNYXIGKB-UHFFFAOYSA-N 360.362 3.037 0 1 FGAF biogenic CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1 43060296 BMPYDZSFSPOLKK-UHFFFAOYSA-N 363.464 3.298 0 1 FGAF CO[C@H]1c2ccccc2O[C@H](c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O 238733535 NWSFMWPYMFJSED-HSALFYBXSA-N 356.374 3.365 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=C[C@@H](O)[C@H]12 257475566 LOUCJBIZSPLEFL-VVKOQGJISA-N 372.505 3.380 0 1 FGAF endogenous,in-man C[C@@H](OC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)c1ccccc1 377602839 XYLGLGFZLQRDKD-LLVKDONJSA-O 369.788 3.302 0 1 FGAF O=C(NC(=O)c1cc(O)cc(O)c1)NC1c2ccccc2-c2ccccc21 653782571 JDFDLRPRNAGKIG-UHFFFAOYSA-N 360.369 3.307 0 1 FGAF CCN(CCCNC(=O)/C=C/c1ccc(O)c(OC)c1)Cc1ccccc1 653715449 HQRSYYQBTLVKRK-ACCUITESSA-N 368.477 3.442 0 1 FGAF C[C@@]1(CCn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581491 LMNRRMFZRZTTFB-PXNSSMCTSA-N 350.374 3.399 0 1 FGAF COC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588121 PFCBUJHTMNRODV-GHTZIAJQSA-N 363.369 3.291 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccs1 587609416 BWQUVCIYJNEGRK-DNVCBOLYSA-N 368.366 3.395 0 1 FGAF c1ccc(C[C@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCCO5)CS2)cc1 587041190 LITXHVNAQJPWRD-QAPCUYQASA-N 353.447 3.280 0 1 FGAF CCOC(=O)N1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587766688 HJOLKDIQBGWXEV-QFYYESIMSA-N 371.250 3.180 0 1 FGAF COCCO[C@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862421 NLHNKRJKCJMHGP-LLVKDONJSA-N 372.343 3.269 0 1 FGAF O=C1c2ccc(O)cc2OC2([C@H]3CC[C@H]2CNC3)[C@H]1c1ccc(F)cc1 587353423 ZETIWVWHZDBMEE-NJSLBKSFSA-N 353.393 3.258 0 1 FGAF Cc1c(O)ccc2c1[C@H](c1cc3cc(C=O)sc3s1)N[C@H](C(=O)O)C2 963488847 GBPOAQHXULNCCU-LRDDRELGSA-N 373.455 3.478 0 1 FGAF CN1CCc2cnn(C)c2[C@H]1c1sc(N2CCCCC2)nc1Cl 963955545 QFCRBCAOZUEABK-ZDUSSCGKSA-N 351.907 3.098 0 1 FGAF O[C@H](CO[C@@H]1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1 1772574742 QRQUUBYCEQWSIG-XZOQPEGZSA-N 366.505 3.091 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)c1 13132912 VXFWUBASHMOLJV-GGNLRSJOSA-N 359.422 3.336 0 1 FGAF Cc1nc2ccccc2nc1CN1CCC(CO)(C[C@H]2CCCCO2)CC1 13636855 HOTHVWYEEUHUJS-GOSISDBHSA-N 369.509 3.472 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357.425 3.438 0 1 FGAF COCc1ccc(O)cc1CCN1CCCC[C@@H]1[C@H](O)c1cccc(O)c1 2356682150 NOJUKKVBEUQCAP-FGZHOGPDSA-N 371.477 3.375 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2c1 2356748123 WMARPMGAWBBRNK-CRAIPNDOSA-N 353.397 3.251 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@H](O)c3ccnc(F)c3)c2c1 73199097 SPTLTOMHDUZGDO-GOSISDBHSA-N 352.369 3.352 0 1 FGAF Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2CC1CCNCC1 84672429 BRIJSCVHXQTNKX-UHFFFAOYSA-N 358.449 3.228 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)NCCF)[C@@H](c1ccc(Br)cc1)C2 253975496 OGMONSYQNAKIFE-FZKCQIBNSA-N 369.278 3.101 0 1 FGAF COc1ccc2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O 299856429 BWLWFYRMBSOENZ-SFHVURJKSA-N 370.357 3.252 0 1 FGAF COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1 299828848 JCYIJNNJXPQREM-UHFFFAOYSA-N 367.434 3.298 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CNC(C)=O)(c1ccccc1)CC2=O 587469043 GVTVAWHCSJKZBX-NRFANRHFSA-N 353.418 3.342 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N(C)C)n2)N1 587755161 NDAUYFORJLTNIY-BJOHPYRUSA-N 365.250 3.068 0 1 FGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(C(=O)OC)ccnc2[nH]1 587926012 FVZQNKUEDSGOSC-LBPRGKRZSA-N 355.394 3.304 0 1 FGAF COc1ccc(C=O)c(-c2nc3c(Br)cncc3[nH]2)c1OC 587785450 ACCQTMGHQFZQNF-UHFFFAOYSA-N 362.183 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC[C@@H]4CO4)c1)[C@@H](C2)C3=O 587455076 IKGQWZKWBYOXLB-LLGFUMIMSA-N 352.386 3.136 0 1 FGAF Cc1c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905364 MVJWAKJRHCLVFS-INIZCTEOSA-N 355.438 3.441 0 1 FGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588154 JRNLJZBHHNTRNR-QFBILLFUSA-N 365.341 3.210 0 1 FGAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588153 JRNLJZBHHNTRNR-LPHOPBHVSA-N 365.341 3.210 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(N)=O)cs2)N1 587850554 ZUMLXJPIGAAMQP-UOWDBTKRSA-N 369.259 3.372 0 1 FGAF Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659897 IUGWEYZQTWGPCV-UHFFFAOYSA-N 359.360 3.473 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3ccc(F)cc3)CC1)O2 587384841 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CC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COCOC1 587607566 HZXHGRDPTHBRFD-JXFKEZNVSA-N 356.374 3.123 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2cccnc2n1 587588236 PXUJYBDPWUXFKM-LPHOPBHVSA-N 359.341 3.138 0 1 FGAF FC(F)(F)c1cc(Br)cc2nc(C[C@H]3COCCO3)[nH]c12 586909119 FHFVREHRDNXOGF-QMMMGPOBSA-N 365.149 3.302 0 1 FGAF CCN1C(=O)C[C@@]2(C=C1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582698 NLJSHSZQOPPLDX-GHTZIAJQSA-N 365.385 3.249 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1 587226237 XIQBIUUCYYPCAZ-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O 587421327 LVKLZCWALSEJNO-ORAYPTAESA-N 373.792 3.251 0 1 FGAF O=C1CC[C@@H]2C[C@]3(CCN12)c1cccc(F)c1CCN3[C@@H]1CCSC1 962713356 RKAHYKWHLQYQAA-STXHMFSFSA-N 360.498 3.169 0 1 FGAF CC[C@]1(COC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184148 QOUSFVKWQGBYJN-TZMCWYRMSA-N 351.752 3.209 0 1 FGAF COc1ccc([C@@]2(C3CCOCC3)NCCc3c2c(C(C)C)nn3C)cc1 962915476 ABDMPSFMKNWUAA-QFIPXVFZSA-N 369.509 3.368 0 1 FGAF CC[C@@]1(c2c[nH]c(C(=O)OC)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963602646 AITUPAARUSCUBJ-ODXCJYRJSA-N 358.438 3.006 0 1 FGAF CCCc1c(COc2cccc(Cc3nn[nH]n3)c2)ccc(C(C)=O)c1O 5844333 YNRLZKIONIAXNM-UHFFFAOYSA-N 366.421 3.230 0 1 FGAF COc1cccc(NC(=O)CCC2CCN(C(=O)c3cncs3)CC2)c1 12712554 GOUWSZOUBZOJMU-UHFFFAOYSA-N 373.478 3.423 0 3 FGAF CC[C@@H](C)OC(=O)/N=c1/cc2c(c(N)[nH]1)N=C(c1ccccc1)[C@H](C)N2 18205452 WVXFSVJFLMMMFT-NEPJUHHUSA-N 353.426 3.368 0 1 FGAF CCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)cc3OC)nc2n1 169711829 FEWYNEPNJCINKR-UHFFFAOYSA-N 357.801 3.495 0 1 FGAF Fc1c(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)ccc2[nH]cnc12 207567629 AIOUHYNYGAOXLR-UHFFFAOYSA-N 364.388 3.448 0 1 FGAF COc1ccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)cc1 1857562525 DMONOVWBBJCHRW-KRWDZBQOSA-N 370.430 3.043 0 1 FGAF Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863311 FFJUDQDGCKOKOG-LIRRHRJNSA-N 356.447 3.068 0 1 FGAF O=C(CSc1nc2ccccc2s1)Nc1cc(C(=O)O)ccc1O 103181464 REYUTKDRNSTSJO-UHFFFAOYSA-N 360.416 3.431 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccsc4)ccc31)[C@H]1CC[C@H](C2)N1 100632482 IAZXBSIMCBQTFJ-IAQYHMDHSA-N 358.488 3.422 0 1 FGAF CC(=O)c1ccc2c(c1)OC(C)(C)[C@@H](O)[C@@H]2NC(=O)c1ccc(F)cc1 27518673 GQFPOKZKVWOPGW-MSOLQXFVSA-N 357.381 3.031 0 1 FGAF CN1C(=N)N[C@@](c2ccccc2)(c2cccc(-c3cncc(F)c3)c2)C1=O 34659706 PJHJJBHBSXKTPY-NRFANRHFSA-N 360.392 3.128 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(F)cc1F)C2 219337061 XGVCCPVLVHTHEJ-JTQLQIEISA-N 369.375 3.040 0 1 FGAF COc1ccc2c(CS(=O)(=O)c3ccc(C)cc3)cc(=O)oc2c1OC 84670320 YIQYRIBKFQHPQE-UHFFFAOYSA-N 374.414 3.093 0 1 FGAF CC/C(C)=C/C(=O)O[C@H]1[C@@H](O)C[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 137957038 JYNXJPVNPSRXFL-ZITJSSTCSA-N 362.466 3.313 0 1 FGAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1 82149060 BHDCLPFWVQAYDG-GOSISDBHSA-N 374.525 3.233 0 1 FGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C=C[C@@](C)(CC[C@@H]23)[C@@H]4O)[C@@]1(C)CO 238777942 SXYKDXPLOKBHTK-SGHQEVDSSA-N 362.510 3.460 0 1 FGAF C[C@H]1C=CCC(=O)NCc2cccc(c2)CNC(=O)N[C@H]1c1ccccc1 253993180 KSBGAXIOHACUNA-HRAATJIYSA-N 363.461 3.439 0 1 FGAF aggregator COc1ccc(/C=C\Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(OC)c1 587928924 ILLYACSVYBTLNY-ARJAWSKDSA-N 350.378 3.418 0 1 FGAF COc1cnc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1Cl 587065476 QLPQGJPKMFJKEB-UHFFFAOYSA-N 369.812 3.042 0 1 FGAF CN(Cc1nc2cc(Cl)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169732 IXKHXOYTXPLVMT-UHFFFAOYSA-N 371.796 3.315 0 1 FGAF COc1ccc2c(C)c(CCc3nc4ccnc(O)c4[nH]3)c(=O)oc2c1C 586918624 PATNOGQIJCSDJR-UHFFFAOYSA-N 365.389 3.181 0 1 FGAF COC(=O)c1cc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2cc1OC 587126030 JJTHIMQAQWEYFA-UHFFFAOYSA-N 372.343 3.298 0 1 FGAF COCC(=O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587562642 ASSYTIMJSSDLCS-UHFFFAOYSA-N 351.122 3.102 0 1 FGAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587933517 ZDCVGKPOCUCFPK-FZKQIMNGSA-N 358.419 3.263 0 1 FGAF COc1ccc2c(c1)[C@H](c1cccc(N3CCOCC3)n1)N(C(C)C)CC2 962088316 GEIXBNMWRSJNRU-JOCHJYFZSA-N 367.493 3.283 0 1 FGAF COC(=O)[C@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 137724396 KZZJIEHIKZJMSF-ODXCJYRJSA-N 350.455 3.302 0 1 FGAF COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 1772621430 SDWJCHAEHSUYNZ-GOSISDBHSA-N 351.406 3.203 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)c1 1857638096 HFGOOBQSOGHPMQ-UHFFFAOYSA-N 358.486 3.352 0 1 FGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2coc3ccccc23)C(=O)O1 1857748588 PKUWFMAWUYFHHA-VPLQDYMCSA-N 358.390 3.084 0 1 FGAF O=C(c1nc(-c2ccc(C(F)(F)F)cc2)n2ccccc12)N1CCNCC1 103298997 IVMQEKUGZJIVPF-UHFFFAOYSA-N 374.366 3.066 0 1 FGAF Cc1cc(=O)[nH]c(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 33504944 QLZHBMLOHXQQBE-CYBMUJFWSA-N 356.234 3.164 0 1 FGAF CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)c(O)c2C=O)c1O 13373313 CZDJEEIZTUDKDU-UHFFFAOYSA-N 356.374 3.370 0 1 FGAF biogenic O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@]1(c2ccccc2)CCNC1 49037144 INDPYWCMGKQCEY-FQEVSTJZSA-N 367.836 3.051 0 1 FGAF N=C1N[C@@](c2ccccc2)(c2ccccn2)C(=O)N1CCCc1ccccc1 45322270 KLFBLVUHPRYXGC-QHCPKHFHSA-N 370.456 3.325 0 1 FGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)nc(C)n2nc(C)nc12 139350688 ZSKRIUDQIWBRMG-UHFFFAOYSA-N 365.416 3.140 0 1 FGAF COc1cncc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)c1 147818836 HHOTUTPEJAIIIK-UKRRQHHQSA-N 363.417 3.209 0 1 FGAF Nc1ncc(-c2ccc(-n3cccn3)cc2)cc1C(=O)Nc1ccncc1 149944084 RRQPRTMYJUAVMC-UHFFFAOYSA-N 356.389 3.164 0 1 FGAF c1cc(O[C@H]2CCCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 96175007 FMCHSBJRGSMUTQ-INIZCTEOSA-N 359.433 3.465 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]cnc3c2)ncn1 141142498 CGGPPQDGCFGYLV-UHFFFAOYSA-N 350.426 3.232 0 1 FGAF COc1ccc2c(c1)n(O)c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2=O 377799885 LTTIDDLVXUUKOY-UHFFFAOYSA-N 371.316 3.113 0 1 FGAF N=c1cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c[nH]1 587017619 MMSLGVDNYAVQNK-UHFFFAOYSA-N 359.418 3.208 0 1 FGAF Cc1nc(Br)sc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587014811 RECFFXWJQYOHDV-UHFFFAOYSA-N 374.241 3.004 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)cc2[nH]1 586961718 LHSMGUXSHOQJKZ-ZCFIWIBFSA-N 366.244 3.257 0 1 FGAF CS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950813 NTNAXCMMTSKRDP-UHFFFAOYSA-N 360.479 3.452 0 1 FGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 587202181 GIMZVJNKZQRFPK-GFCCVEGCSA-N 374.784 3.054 0 1 FGAF O=C(NCc1nc2cc(Br)cc(Cl)c2[nH]1)c1cscn1 587027799 HCZBJJQPTKJLHU-UHFFFAOYSA-N 371.647 3.365 0 1 FGAF CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)n1 586999969 HGQBPFCPNWNHLL-UHFFFAOYSA-N 374.242 3.017 0 1 FGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522248 GLDHTPKHYGAKSS-WMZOPIPTSA-N 374.433 3.032 0 1 FGAF COCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587400138 OCWOIVXUDHZWDD-NRFANRHFSA-N 371.433 3.492 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1Cn1cncn1)[C@@H](C2)C3=O 587433560 ZCMDHKAQXHNSHB-PTSWNOGYSA-N 353.422 3.053 0 1 FGAF COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587237764 WEYQBZXZXVGQPA-UHFFFAOYSA-N 361.442 3.226 0 1 FGAF COc1nccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168729 NXXMQTLDLQTIIL-UHFFFAOYSA-N 350.357 3.231 0 1 FGAF CCn1nccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662298 YUXPDKYQIOGXEB-UHFFFAOYSA-N 362.364 3.108 0 1 FGAF COC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587176038 ZTCKRVLANNINDR-CQSZACIVSA-N 352.369 3.212 0 1 FGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cl)cn2)N1 962966863 AULDFAFIRWYEKZ-BXUZGUMPSA-N 359.159 3.355 0 1 FGAF Nc1cccc2c1CC[C@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671714 SHLIEOYRGHEWJY-XZOQPEGZSA-N 373.456 3.105 0 1 FGAF COc1ccccc1[C@H](c1ccc2cccnc2c1O)N1CCOCC1 115635112 QOLWXORZZPIODQ-HXUWFJFHSA-N 350.418 3.371 0 1 FGAF NC(=O)c1cnc(Nc2ccc3c(c2)CC(=O)N3)cc1NCc1ccccc1 1772650851 MSYMSSQHTUWZDQ-UHFFFAOYSA-N 373.416 3.031 0 1 FGAF Cc1cc(C)nc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 13746155 AXZBMMTZBCBKLD-RUZDIDTESA-N 354.479 3.258 0 1 FGAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3ccccn3)C1)CC2 19770366 JISMHCGVKXKMFV-HXUWFJFHSA-N 367.493 3.122 0 1 FGAF COc1ccccc1[C@H]1N(c2ccc(S(C)(=O)=O)cc2)C(=O)C1(C)C 169324197 RSGFMNPGFQZWQQ-QGZVFWFLSA-N 359.447 3.213 0 1 FGAF Cc1cccc(=O)n1CCCNC(=O)[C@H]1[C@H](c2ccc(F)cc2)C1(C)C 1857769403 BPIYVMAAHNWDHX-RBUKOAKNSA-N 356.441 3.242 0 1 FGAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356417549 DZCKAXTWCUFDEX-JKSUJKDBSA-N 369.465 3.235 0 1 FGAF COc1ccccc1CN1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356600153 BVFHDEGDVLHBDT-DNVCBOLYSA-N 355.413 3.311 0 1 FGAF COc1cc2c(cc1OC)[C@H](C)N(C[C@H](O)COc1ccccc1)CC2 4026513 OZNLOODEISPZDJ-RDJZCZTQSA-N 357.450 3.063 0 1 FGAF biogenic NC(=S)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 73164128 SAKABTRVMGPSSO-UHFFFAOYSA-N 370.459 3.367 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)C[C@H](O)[C@@]32F)C1 45286274 FKXOYZPEIJMKDY-DWGGVTEXSA-N 368.489 3.385 0 1 FGAF CCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21 45347417 ORRNKQFGZBCSFG-UHFFFAOYSA-N 370.888 3.212 0 1 FGAF COCCOc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1 45347691 WIJGRSUJTVWSLD-UHFFFAOYSA-N 363.417 3.122 0 1 FGAF Cc1ccc(C(=O)N2Cc3nc(C)nc(-c4ccn[nH]4)c3C[C@H]2C)c(C)c1 225942386 FNRXIXDIMHIGNB-CQSZACIVSA-N 361.449 3.379 0 1 FGAF COc1cccnc1NC(=O)Nc1cccc2c1[C@H]1CCCCN1C2=O 95579768 DJJXQANLOSWJLA-CQSZACIVSA-N 352.394 3.415 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1cncn1 147988575 MLFQUNUPEZQAEP-RNEDXHKXSA-N 352.482 3.418 0 1 FGAF CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccn12 653790967 QDOZAVATYPZZCI-UHFFFAOYSA-N 360.477 3.400 0 1 FGAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)N(C)c1ccccc1 653837918 PQLJOSMBCZOJIK-UHFFFAOYSA-N 366.446 3.403 0 1 FGAF COc1cc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587401392 XLOQQNBDIYHIQO-FQEVSTJZSA-N 357.406 3.484 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CN3CCOCC3)o1)CC2=O 587474142 FACYTZACNVWXCM-HXUWFJFHSA-N 371.433 3.476 0 1 FGAF CCOC(=O)[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425670 GEZSEBCIUZWREJ-JLTOFOAXSA-N 356.349 3.040 0 1 FGAF CCOC(=O)COc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398835 FLMGBUYDLGOHGN-NRFANRHFSA-N 369.417 3.400 0 1 FGAF C=C1NC(=O)NC=C1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789103 AAZIREZRTPPFKC-PWJLMRLQSA-N 366.234 3.048 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(C(N)=O)c3[nH]2)cs1 587020261 KPCBXJFMPSQEJN-UHFFFAOYSA-N 373.438 3.056 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1OCCO1)C1CC1 587605802 BCFBYMIEZFKXLZ-WIYYLYMNSA-N 368.385 3.266 0 1 FGAF COCCC[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587798538 YPSNHOYGYSTLHI-BDJLRTHQSA-N 360.267 3.391 0 1 FGAF CN1CCN(c2ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3c2)CC1 587071261 YOEIOOORQVRBMR-UHFFFAOYSA-N 368.868 3.394 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c([C@H](N)c3ccsc3)nc2c1 587025010 IDGWOBZYSZNJQX-LLVKDONJSA-N 366.240 3.222 0 1 FGAF C[C@]1([C@@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359877 SORZGFKYBJSQMS-OXFYSEKESA-N 356.349 3.212 0 1 FGAF COC(=O)c1[nH]c([C@@H]2c3cccc(Br)c3CCN2C)cc1C 963279893 KSDAUYGXEHSXHQ-INIZCTEOSA-N 363.255 3.450 0 1 FGAF COC(C)(C)[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963145783 OQVZLKNHUXSORW-PIGZYNQJSA-N 370.471 3.030 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCSc3c(F)cccc31)NCC2 962924119 NAVZHQBQCGYXDB-FQEVSTJZSA-N 356.466 3.413 0 1 FGAF O=C(Cn1c(-c2ncco2)cc2ccccc21)NCc1nc2ccccc2[nH]1 1772642769 JVHKMJFKKFFBEZ-UHFFFAOYSA-N 371.400 3.489 0 1 FGAF CC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)s1 11666919 PCCIAWZYILXPMN-AWEZNQCLSA-N 372.446 3.396 0 1 FGAF O=C(O)[C@@H]1C/C(=C2\CCN(c3cccnc3)C2=O)c2ccc(Cl)cc2N1 150314154 DJRORXFEVGSQOR-XUZQSEFNSA-N 369.808 3.194 0 1 FGAF C[C@@]1(c2nnnn2Cc2ccccc2)CCCC(=O)N1Cc1cccs1 203465250 ATVPBZOXVCEUBQ-IBGZPJMESA-N 367.478 3.211 0 3 FGAF COc1ccc(-c2nc3ncnc(O)c3nc2-c2ccc(OC)cc2)cc1 9589123 NSQGTLODHVXTEG-UHFFFAOYSA-N 360.373 3.477 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1O 103205797 PNNNUHUHKIJMHR-RYUDHWBXSA-N 357.781 3.404 0 1 FGAF COc1cc(Br)cc(-c2noc([C@@H]3CCCN3C)n2)c1OC 103285089 WMISFAGLPAZMPW-NSHDSACASA-N 368.231 3.283 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]3F)[nH]c2c1 2356302027 KEVMBXBSKKDPSR-CRAIPNDOSA-N 371.387 3.390 0 1 FGAF CCN(CC)CCN1C(=O)c2cc(Cl)c(NC=O)cc2OC(C)=C1C 29326066 UVSZNGCSQZOGAF-UHFFFAOYSA-N 365.861 3.336 0 1 FGAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)N[C@@H](N2)N34)O1 2356823083 GIQKPLVXNCLHHV-VKPOMUGMSA-N 361.530 3.216 0 1 FGAF CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccs3)sc2c1 28864083 SOBWOUGEQIBIEL-UHFFFAOYSA-N 367.477 3.083 0 1 FGAF CN1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139289813 LQHXAEDJABEEMB-UHFFFAOYSA-N 362.437 3.159 0 1 FGAF COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnc2ccccc12 45196338 NDNAGLVRQAPTRG-QGZVFWFLSA-N 361.445 3.248 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 14613191 CWGQQELECQFCDS-MRFFXTKBSA-N 368.385 3.099 0 1 FGAF biogenic N[C@H]1Cn2c(nc3cnc(Cl)cc32)C[C@@H]1c1cc(F)c(F)cc1F 43060083 IVRXDZJKHHOTOV-PELKAZGASA-N 352.747 3.169 0 1 FGAF CCCNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 43067423 JMIRJFLHXIZAGV-UHFFFAOYSA-N 358.486 3.384 0 1 FGAF CCCCC[C@@H](O)/C=C\[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 238787491 PXGPLTODNUVGFL-KCUAVPSPSA-N 354.487 3.043 0 1 FGAF CCOC(=O)c1c(-c2cccc(N(C)C)c2)[nH]c2cc(OC)ccc2c1=O 95557085 JKRDJIRFJXEMID-UHFFFAOYSA-N 366.417 3.446 0 1 FGAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1cccnc1 25427688 KOWJWYRAMHHKAR-AZUAARDMSA-N 365.477 3.276 0 1 FGAF biogenic CNC(=O)COc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587387663 RESLTCWLMCCFRE-GOSISDBHSA-N 368.433 3.025 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCOCC2)N1 587770649 DMWCTAQEQHEXJL-PXAZEXFGSA-N 371.294 3.060 0 1 FGAF O=C(CC1CCNCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662161 VWQHDRZHFRSNQC-UHFFFAOYSA-N 365.408 3.233 0 1 FGAF CCOC(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587400329 QPGFHYXHNPQHDC-OAQYLSRUSA-N 369.417 3.400 0 1 FGAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763096 HYDPUFBDCAUEMQ-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Oc1ccccc12 587840753 JNVMQRYLQSSSHD-XYZCENFISA-N 362.198 3.285 0 1 FGAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(I)c2[nH]1 587961209 DKXWYHWOMDCBBT-RKDXNWHRSA-N 354.191 3.325 0 1 FGAF CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1cc(C)ccn1 206141887 CZGZHFZXMXHUKR-UHFFFAOYSA-N 356.426 3.343 0 1 FGAF Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1Cc2ccccc2C1 1772623098 OQVZIQPNGMQXIH-UHFFFAOYSA-N 361.380 3.260 0 1 FGAF CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1 11972548 LVAWIRLFTOIUMA-KRWDZBQOSA-N 374.412 3.352 0 1 FGAF C/C(=C\Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O)CO 12362120 AROTXIUFXQZGLT-BIIKFXOESA-N 354.358 3.058 0 1 FGAF biogenic,in-vitro O=C(O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 13236781 ZVRUOAROZPSGBG-UHFFFAOYSA-N 356.359 3.456 0 1 FGAF COc1ccc(SC[C@H](CC(C)C)N2CCN(C)CCC2=O)cc1 13661822 GZMZUDRFLNHRLU-INIZCTEOSA-N 350.528 3.366 0 3 FGAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](C(F)F)C2 13686955 FYRVUPFMMDBYMU-OAHLLOKOSA-N 372.824 3.420 0 1 FGAF COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 205876942 WMIUHWGMQCCARH-UHFFFAOYSA-N 360.841 3.433 0 1 FGAF Nc1nc(N)c2nc(CN3c4ccccc4Sc4ccccc43)cnc2n1 3814849 VMOVOUMHZIMENS-UHFFFAOYSA-N 373.445 3.387 0 1 FGAF Cc1c(C(=O)NC[C@H]2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 4101743 YFHMPUFRVPAYFT-GFCCVEGCSA-N 357.406 3.394 0 3 FGAF CC(C)(C)CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356288293 ADWMXPCOUMDECN-DXIQSLLYSA-N 372.509 3.042 0 1 FGAF O=S(=O)(c1ccccc1)n1cc(C2CCNCC2)c2cc(F)ccc21 28123892 IMWMPALRTFLUCR-UHFFFAOYSA-N 358.438 3.484 0 1 FGAF O=C(c1nc2ccccc2s1)[C@@H]1CCN1C(=O)CNC1CCCCC1 28456682 KZGDCIOQCIMSML-HNNXBMFYSA-N 357.479 3.002 0 1 FGAF O=C1CC[C@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CCN12 27092657 XIMBWYVCWCNCSS-LAUBAEHRSA-N 367.880 3.230 0 1 FGAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C(=O)O)[C@@]12C 2356746458 XYVWVOQDJAKFEB-LONLNUGOSA-N 362.422 3.317 0 1 FGAF Cc1cc(O)cc(C)c1C[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 26830968 NRDJIOCQFPTJAK-FOIQADDNSA-N 367.445 3.226 0 1 FGAF CCCNC(=O)c1cc(-n2cc(-c3cccc(Cl)c3)nn2)ccc1O 71318934 CBRLQKYIPJBQLD-UHFFFAOYSA-N 356.813 3.433 0 1 FGAF COc1cc(C[C@@H](C)C(C)=O)c(C(=O)c2ccc3c(c2)OCO3)cc1O 13376239 NZRFQWIILQPRRA-LLVKDONJSA-N 356.374 3.128 0 1 FGAF biogenic CCCCNc1ncc(C(=O)NCCCOC)c(-c2ccccc2F)n1 82150627 KSYKWKIKCUOPPI-UHFFFAOYSA-N 360.433 3.261 0 1 FGAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCOC 82179699 NENWFKOEEFPDJM-UHFFFAOYSA-N 357.433 3.219 0 1 FGAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)C1 82142409 QVWUZAUQYDJQGY-OKILXGFUSA-N 354.454 3.359 0 1 FGAF COc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O 199410653 YTGOHWKUQYYMBY-GOSISDBHSA-N 370.424 3.145 0 3 FGAF O=C(N[C@@H](CO)c1ccc(OC2CCC2)nc1)[C@H]1C[C@@H]1c1ccc(F)cc1 95586667 FCMRWVBXSWDTIB-QYZOEREBSA-N 370.424 3.105 0 1 FGAF COC(=O)c1cccc(N2Cc3cc(Br)ccc3CC2=O)c1 621476524 PFNPPMBEZZILLR-UHFFFAOYSA-N 360.207 3.325 0 1 FGAF Oc1nc2ccsc2c(N[C@H]2CCNC2)c1-c1nc2ccccc2[nH]1 299822766 BPZPMNUSOUACHX-JTQLQIEISA-N 351.435 3.319 0 1 FGAF Cn1ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581732 LWERLICALCUDTA-RXVVDRJESA-N 362.385 3.319 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCOCC2)N1 587834009 JOXGMDDLQSEOCU-QLJPJBMISA-N 358.251 3.359 0 1 FGAF Sc1nnc(SCc2nc3ccnc(Br)c3[nH]2)s1 587026192 VLGKMCZEGPENAH-UHFFFAOYSA-N 360.287 3.153 0 1 FGAF Cc1cc(-c2nc3ncccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125928 VUDYPFHXXSAIRA-UHFFFAOYSA-N 356.329 3.195 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@H]1OCc1ccccc1)O2 587411859 KXXNKDOYJRJRJW-CTNGQTDRSA-N 353.418 3.287 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cnn(C)c1C)CC2=O 587476182 QDFPRKCCXZHVHW-XPTLAUCJSA-N 369.465 3.323 0 1 FGAF CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2ccc(S(C)(=O)=O)cc12 587649654 RULUTCYDYQXIQE-UHFFFAOYSA-N 364.810 3.212 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(OC(C)C)cc2[nH]1 587230967 KSCMEHIGUQMFKT-HZPDHXFCSA-N 359.470 3.387 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccccc12 587797294 WEIHNQYOEAYVTR-HUTHGQBESA-N 361.214 3.318 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1OCc1ccccc1)O2 587411860 KXXNKDOYJRJRJW-FPOVZHCZSA-N 353.418 3.287 0 1 FGAF CCn1ncc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)n1 962638111 KJSKGTSUUBARQY-KNQAVFIVSA-N 359.477 3.134 0 1 FGAF COc1cc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)ccn1 963086559 AFNBJEFLUPWGDC-IERDGZPVSA-N 370.424 3.358 0 1 FGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)[nH]1 962630066 HGQNEMURVYASQN-SWLSCSKDSA-N 354.328 3.218 0 1 FGAF Cc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2)c(C)c1CC(=O)O 1772585479 OFVBVIJXRYSOQH-UHFFFAOYSA-N 361.405 3.114 0 1 FGAF CC(C)c1cccc(NC(=O)c2cc(N3Cc4cnc(N)nc4C3)ccn2)c1 169710077 AWWCDBPLZVDBFI-UHFFFAOYSA-N 374.448 3.350 0 1 FGAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cn1 167232360 DBKYNAIPHBZCGN-UHFFFAOYSA-N 352.438 3.405 0 1 FGAF Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc(N)c1C(N)=O 1857595293 FGWGGXFGLDNLQE-UHFFFAOYSA-N 361.320 3.148 0 1 FGAF CC(C)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1F 1857744972 DVFXRCBOJORMIN-UHFFFAOYSA-N 353.445 3.152 0 1 FGAF CC(C)(C)c1cc2nc(CCn3c(O)nc4ccccc43)cc(O)n2n1 103526025 IBJNPNRBOQZFRC-UHFFFAOYSA-N 351.410 3.030 0 1 FGAF O=C1Nc2cc(F)ccc2[C@@H]1CCCCN1CCN(c2ccccn2)CC1 101446132 NDEQQLAZHRZSEI-SFHVURJKSA-N 368.456 3.249 0 1 FGAF Cc1nn(-c2cc(Br)c(Cl)cc2F)c(=O)n1C(F)F 103182892 GJFKFYHWCGUUQU-UHFFFAOYSA-N 356.529 3.293 0 1 FGAF COc1ccc(C(=O)c2c(O)oc(-c3ccc(OC)cc3)cc2=O)cc1 100465350 MEMUMLNGZCPJOR-UHFFFAOYSA-N 352.342 3.261 0 1 FGAF CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc(CN)cs2)nc1 61896315 UBYABFSTDHIGFH-UHFFFAOYSA-N 353.451 3.013 0 3 FGAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2 5918335 NNJWBZJTAKJKBL-WOJBJXKFSA-N 360.406 3.412 0 1 FGAF biogenic CCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 71319370 IGSBLGMDGZRMAE-UHFFFAOYSA-N 372.448 3.306 0 1 FGAF CC(C)(C(=O)NC1CCCCC1)n1cc(-c2ccc3c(c2)OCO3)cn1 74387496 YETSIAWBHFYGNF-UHFFFAOYSA-N 355.438 3.463 0 1 FGAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cscn1 1911576484 JWWIADYVLMPROS-LBPRGKRZSA-N 370.261 3.262 0 1 FGAF O=C(NC1CC1)c1ccc(-c2cnc3c(=Nc4ccccc4)[nH]ccn23)cc1 1911577958 OUKDCFUUSOUORH-UHFFFAOYSA-N 369.428 3.454 0 1 FGAF CC1(C)C[C@]2(CN(S(=O)(=O)c3ccccc3)CCO2)c2ccccc2O1 45316030 WNMXKIYFIBRRIN-FQEVSTJZSA-N 373.474 3.164 0 1 FGAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCCC1 84596826 IIEUNZXWXISBCM-UHFFFAOYSA-N 357.410 3.202 0 1 FGAF O=C1OCC2=C1[C@H](c1cc(F)c(F)c(F)c1)c1cc3c(cc1N2)OCO3 40405530 NICXBQJDCJCLQP-OAHLLOKOSA-N 361.275 3.201 0 1 FGAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(C)c1OC 238739785 KDYNYYVTPUGNDF-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587163683 UISLFDMJKALVEI-HUUCEWRRSA-N 359.426 3.223 0 1 FGAF Cc1onc(-c2nc3ncnc(N)c3[nH]2)c1COc1ccccc1Cl 587063777 WTJXZVUMJGXPLX-UHFFFAOYSA-N 356.773 3.131 0 1 FGAF Sc1nc(S)c2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 587005195 BOWPZPRWHXDBDE-UHFFFAOYSA-N 374.676 3.408 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCOCC3)c1)O2 587402131 YUJZYJYVERBKSB-OAQYLSRUSA-N 352.434 3.294 0 1 FGAF Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1F 587146184 CLBWECRBPURHBJ-RMKNXTFCSA-N 359.426 3.431 0 1 FGAF O=C(c1cnco1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655660 DAIDOSCBUHIGKY-UHFFFAOYSA-N 353.284 3.018 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)c(F)c1)O2 587384624 GKIUCPGFKSLEIG-HXUWFJFHSA-N 369.440 3.175 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587064839 HJYMWUWMSHPFOW-QGZVFWFLSA-N 374.784 3.340 0 1 FGAF Cc1ccnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 586946402 XBENOJGPVZFFPH-UHFFFAOYSA-N 374.447 3.066 0 1 FGAF COC(=O)[C@H]1C(C)(C)CC(N)=C[C@]12NCCc1c(Cl)cc(Cl)cc12 963104086 HBYCEZSDAWBZHL-MAUKXSAKSA-N 369.292 3.396 0 1 FGAF Cc1c(F)ccc2c1[C@H](c1cc3cc4c(cc3nc1O)OCO4)NCC2 962092053 LXSBTTYWAUJCNN-IBGZPJMESA-N 352.365 3.352 0 1 FGAF CC(C)([C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)S(C)(=O)=O 962714887 UCHMTQUDLGMIHQ-WBMJQRKESA-N 357.516 3.054 0 1 FGAF Nc1nc(N)c2cc(N(Cc3ccc(Cl)c(Cl)c3)N=O)cnc2n1 169344355 DYZPHAHFJKEMHI-UHFFFAOYSA-N 364.196 3.184 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5513277 LLQBSJQTCKVWTD-BLIXGXJDSA-N 356.503 3.267 0 1 FGAF endogenous,in-man NCCCC[C@@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O 29133329 YJDGJKULBWAHHK-KRWDZBQOSA-N 371.868 3.114 0 1 FGAF CCc1nc2cc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)ccc2o1 115731461 RVNTZMHVCUHNJJ-UHFFFAOYSA-N 365.393 3.492 0 1 FGAF COc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1OC 66251130 JBWSCNVYHFSFLY-UHFFFAOYSA-N 365.429 3.109 0 1 FGAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)cc1OC 61925708 PZYYEORDLJEREV-GOSISDBHSA-N 366.373 3.301 0 3 FGAF COc1ccc(CCN(C)C(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2356524396 CMJJLLFJMKGGOF-UHFFFAOYSA-N 355.434 3.427 0 1 FGAF C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H](C(=C)C)[C@H]2C=C(CC1=O)C(=O)O2 15263046 CROISFXTXKWWQV-IRWQIABSSA-N 370.401 3.285 0 1 FGAF biogenic COc1ccc2c(c1OC)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1 40563950 XVSKSQGEJQXOHR-MRXNPFEDSA-N 356.422 3.039 0 1 FGAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCC(C)C)ncnc21 82177787 CRLRDEZLHLKXNF-UHFFFAOYSA-N 355.442 3.216 0 1 FGAF O=C1OCC2=C1[C@@H](c1cccc(OC(F)F)c1)c1cc3c(cc1O2)OCO3 42878947 IPLWIPGYGPMZLF-INIZCTEOSA-N 374.295 3.352 0 1 FGAF Cc1ccc(C(=O)N[C@H]2CCCCN(Cc3cccc(F)c3)C2=O)cc1 199410066 QGNNLWUYKGXMEE-IBGZPJMESA-N 354.425 3.445 0 3 FGAF C[C@]1(O)CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12 146109754 XAEPWWXGYRFQSV-RXVVDRJESA-N 364.449 3.206 0 1 FGAF COc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1 96271750 CFHZAFSZVHYKJH-UHFFFAOYSA-N 353.407 3.164 0 1 FGAF Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 95921103 IGLNPZZNPBQOMM-UHFFFAOYSA-N 366.440 3.418 0 1 FGAF in-vitro Cc1cccc(N2CCN(C[C@H]3CC(=O)c4ccccc4O3)CC2)c1C 96941791 RQSLEJWOSGHYJH-GOSISDBHSA-N 350.462 3.459 0 1 FGAF COc1cc(C(=O)c2ccn(-c3ccccc3O)c2)cc(OC)c1OC 299828525 NJXZETAWZTUANT-UHFFFAOYSA-N 353.374 3.440 0 1 FGAF CN1CCN(c2nc(-c3[nH]c4ccccc4c3C=O)nc3ccccc23)CC1 653757173 RUTYCMZAWYJDPO-UHFFFAOYSA-N 371.444 3.342 0 1 FGAF CCCc1sc(=N)[nH]c1-c1nc2c(F)cnc(Br)c2[nH]1 587013619 UPHCHXCTOPWZPZ-UHFFFAOYSA-N 356.224 3.348 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COCc3[nH]ccc32)N1 587803329 PBUJSICNTDSERZ-JDNHERCYSA-N 351.219 3.224 0 1 FGAF COc1cc(Br)cc(C=O)c1OCc1nc2cccnc2[nH]1 586980124 KGXXFAYFTRUCFZ-UHFFFAOYSA-N 362.183 3.121 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(=NCc4ccccc4)[nH]c1)[C@@H](C2)C3=O 587432878 NHICPFPRCSBYBZ-UWJYYQICSA-N 373.412 3.008 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 587950784 CLMOGYPFJLIGCN-XNWIYYODSA-N 354.501 3.008 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cnc3[nH]2)cc1 587042143 ITFKYKYHXZROOD-HNNXBMFYSA-N 372.425 3.384 0 1 FGAF COC(=O)C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587589865 AXQJPEFVMPBRHD-FPSMJMQUSA-N 368.385 3.456 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586934915 CSUXSENZEBIQLD-JTQLQIEISA-N 364.858 3.355 0 1 FGAF COc1cc(C(C)=O)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945931 PJZGQZRZZOLWPH-UHFFFAOYSA-N 355.369 3.217 0 1 FGAF COC(=O)c1cc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2cc1OC 587089206 ZUNGPJZJOYCAIF-VIFPVBQESA-N 351.353 3.108 0 1 FGAF Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(O)c1C 587661378 YJIQCPMEWDAQGM-UHFFFAOYSA-N 362.364 3.304 0 1 FGAF COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1F 587193174 CCKIBMSJJAZICY-UHFFFAOYSA-N 371.412 3.230 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(C(=O)O)[C@@H](C2)C3=O 587423083 TZLJNMCKQDFZBT-LIRRHRJNSA-N 358.777 3.162 0 1 FGAF N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1 586996814 LAIKUJOSPGYKMC-GFCCVEGCSA-N 356.227 3.444 0 1 FGAF Cc1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529176 VTJLLXACYLCKQM-HRAATJIYSA-N 353.418 3.024 0 1 FGAF COc1cc([C@@]2(C)NCCc3c(OC)ccc(Cl)c32)cc(OC)c1O 963269573 KVWCAFMAZJMRTC-LJQANCHMSA-N 363.841 3.481 0 1 FGAF Cc1nc(NC[C@H]2CCCO2)sc1[C@@]1(C)NCCc2ccc(O)cc21 963340423 GWBLEBUGNQLCJD-BEFAXECRSA-N 359.495 3.157 0 1 FGAF COc1ccc2cc(-c3ccccc3)nn2c1Cn1nc(C(=O)O)cc1C 1772594302 UGFWWEDIMCNJAR-UHFFFAOYSA-N 362.389 3.261 0 1 FGAF c1ccc2c([C@@H]3CC(c4ccc(OCC5=NCCO5)cc4)=NN3)c[nH]c2c1 1772631346 PBFMWBMRQHSLGQ-FQEVSTJZSA-N 360.417 3.414 0 1 FGAF C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)[C@H]1C[C@H]1c1ccccc1 12472319 ZMVROYMOUCLNOO-WCQGTBRESA-N 372.701 3.400 0 3 FGAF CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Br)cc2)C(=O)O1 5884980 PJQMGNCJOYTUEZ-LBPRGKRZSA-N 353.212 3.347 0 1 FGAF CC(=O)c1cccc(NC(=O)N2[C@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)c1 13116621 OCCYGENKRRZWOM-PMSBKCLSSA-N 365.433 3.331 0 1 FGAF CC(C)CNC(=O)OCc1cn(Cc2cccc(C(F)(F)F)c2)nn1 203462250 INJZXJYDKUOODO-UHFFFAOYSA-N 356.348 3.227 0 3 FGAF Cc1c(Sc2ccc(OC(F)(F)F)cc2)n(C)c2nc(=N)[nH]c(N)c12 1857755962 WYEYSYWLOCOUSM-UHFFFAOYSA-N 369.372 3.321 0 1 FGAF Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1 838633 YNEJNUAUXPCFAS-UHFFFAOYSA-N 353.401 3.204 0 1 FGAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)NC2CCCCCC2)cc1OC 3030340 HLQQXTJKWQSAPF-DNVCBOLYSA-N 361.438 3.147 0 3 FGAF CCN(C)C(=O)[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568263 UVOQIEBXUFHOKA-ICGDKRAJSA-N 357.494 3.314 0 1 FGAF in-vivo COC(=O)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661749 UREREYDEOPHVOB-UHFFFAOYSA-N 371.414 3.145 0 1 FGAF CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 34776063 QNKSDDQPRLWOEC-INIZCTEOSA-N 363.460 3.326 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 71756459 CIMMACURCPXICP-BAXNBLBQSA-N 354.487 3.475 0 1 FGAF CN(C)CCn1c(Cn2nnc3ccccc32)nc2cc(Cl)ccc21 84670011 LGVOLDZPKHBVDR-UHFFFAOYSA-N 354.845 3.044 0 1 FGAF Cc1c(C2=C[C@H](c3ccccc3)NC(=S)N2)nnn1Cc1ccccc1 95572359 TTZCRXARHLKCKF-QGZVFWFLSA-N 361.474 3.195 0 1 FGAF CC(=O)CC[C@H](/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)CCC(=O)O)C(C)C 238765651 UUPXPGYKZYACRW-YOMNLUFYSA-N 354.487 3.497 0 1 FGAF CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N[C@H]2CO 95878355 UQLNTDHUHCVUAC-XJABCFGWSA-N 366.461 3.448 0 1 FGAF CNC(=O)[C@H]1N(C(=O)COc2ccc(Cl)cc2)c2ccccc2C1(C)C 473136275 PCZGNWMCLVCSQD-GOSISDBHSA-N 372.852 3.158 0 1 FGAF O=C(CC1CCOCC1)c1c(CO)oc2cc(Br)cnc12 587272773 BNGMINGJIHYBAG-UHFFFAOYSA-N 354.200 3.082 0 1 FGAF CCOC(=O)[C@H]1Cc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587400962 SQQKCAIWFLFPBY-IIBYNOLFSA-N 351.402 3.173 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN1CCC[C@H]12 587591915 XJHKZFVLDYIJSQ-WFXMLNOXSA-N 351.402 3.351 0 1 FGAF O=C(O)c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161356 NAEOQPDHDIAIRU-UHFFFAOYSA-N 371.759 3.360 0 1 FGAF Clc1cccc(C2(c3nc4nc(Br)c[nH]c-4n3)CC2)n1 587083963 FRLOWXCSKONZLO-UHFFFAOYSA-N 350.607 3.195 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587177031 ZVGSUYFDTUNXPX-UHFFFAOYSA-N 370.409 3.293 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CCC2)N1 587755397 NZHBTINYWXFBON-ZANVPECISA-N 355.251 3.080 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccn(C)c1=O 587858710 AIDXQYCMLVRXDN-UHFFFAOYSA-N 365.220 3.339 0 1 FGAF CCOC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398511 DRYYJYCSUGBQBJ-GOSISDBHSA-N 355.390 3.226 0 1 FGAF COc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC 587927493 VIIGGTLAKCXWEY-UHFFFAOYSA-N 352.369 3.496 0 1 FGAF Cc1cc(F)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 586929109 PRNFPOLXSBBCKN-UHFFFAOYSA-N 367.833 3.485 0 1 FGAF COc1cncc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587225439 WINGKRTXMFTLOW-SFHVURJKSA-N 358.401 3.486 0 1 FGAF CCOc1cc(C=O)c(OCC)n1-c1cccc(Br)c1N 587937506 SVUKQJXIRCLVHN-UHFFFAOYSA-N 353.216 3.432 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(CC(=O)O)c2c1 587648704 ABOJHWUECVJFDE-UHFFFAOYSA-N 365.357 3.144 0 1 FGAF CCOC(=O)[C@H](F)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556146 NOTJZPOXJFYOBY-ZAAXVRCTSA-N 374.364 3.404 0 1 FGAF CC1=CC2(C=C(C)O1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962671139 RYSHXEVMMGDBJB-NRFANRHFSA-N 350.418 3.367 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)C1C(=O)CC(C)(C)CC1=O 963607372 JSNURBDJUPKZRH-LAJNKCICSA-N 359.466 3.028 0 1 FGAF CC(=O)SCCC[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978484 RICNZWQHIXEHJX-NWDGAFQWSA-N 363.813 3.318 0 1 FGAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 13593616 QCWXVUJAXFOVIY-CQSZACIVSA-N 374.412 3.103 0 3 FGAF CC(=O)Nc1cccc2cc(S(=O)(=O)Nc3onc(C)c3C)ccc12 13602371 DOYCEWNTYKDBOG-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)c1cccnc1)CC2 13817529 IAPAFGMLIQJTKD-HNNXBMFYSA-N 365.477 3.479 0 1 FGAF O=C(NCc1ccccc1C(F)(F)F)Nc1cnc2ccccn2c1=O 169312859 RLXGRTGIGQGFHU-UHFFFAOYSA-N 362.311 3.035 0 1 FGAF O=C(O)c1ccnc(-c2cn(CCN3CCCc4cc(F)ccc43)cn2)c1 218219078 HFKOFUFQGTVMPB-UHFFFAOYSA-N 366.396 3.235 0 1 FGAF COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)c1 1379770 BGRNCVRONAMSEC-SFHVURJKSA-N 353.422 3.008 0 3 FGAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccccc2n1)c1ncc(F)cn1 103260240 ICKCIQUITBJRKI-NSHDSACASA-N 364.388 3.209 0 1 FGAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c(C(N)=O)[nH]c1=S 28351917 FQUWPTILIHIJCL-SECBINFHSA-N 373.265 3.050 0 1 FGAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 113334906 AMWQFNROCOUNTL-CRAIPNDOSA-N 353.470 3.033 0 1 FGAF NC(=O)c1cccc(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 61896444 PHHOPEKGMJSBTE-CYBMUJFWSA-N 353.451 3.013 0 3 FGAF COc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 28770902 IJLORKCOLWFAOG-FQEVSTJZSA-N 355.478 3.390 0 1 FGAF COc1c(OC)c2c3c(ncc(OC)c3c1OC)C(=O)c1ccccc1-2 730611 FJMPJHSWPARBRY-UHFFFAOYSA-N 351.358 3.481 0 1 FGAF biogenic FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1 72124843 YHSOKGLZUGZMOD-UHFFFAOYSA-N 363.343 3.420 0 1 FGAF O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccccc2F)nc1-3 72109360 WLRWABLVEWKIFU-UHFFFAOYSA-N 360.392 3.195 0 1 FGAF O=C(N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1ccc(F)cc1 199408192 OLLKPWIRMMCJFF-GOSISDBHSA-N 358.388 3.276 0 3 FGAF O=C(CCN1CCN2Cc3ccccc3C[C@H]2C1)Nc1ccccc1Cl 40690567 MYTMQSRFTOIQNT-SFHVURJKSA-N 369.896 3.411 0 1 FGAF CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC1CCCC1 45284751 KXJLSOCOYQLHGA-RTWAWAEBSA-N 361.574 3.451 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N2CCCCC2)C(C)C)co1 82070167 LXKFUTDHKYQLNU-GOSISDBHSA-N 369.465 3.417 0 1 FGAF COc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cn1 95590363 UBUFKGDGOSAXOI-UHFFFAOYSA-N 360.417 3.300 0 1 FGAF Fc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1 96285730 HKKNUQIENYUCIP-UHFFFAOYSA-N 350.488 3.470 0 1 FGAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F 95893821 XJUPBKIKSLNNQI-SBHAEUEKSA-N 372.415 3.050 0 1 FGAF CC(C)=CCC/C(C)=C/C(=O)NCCCOCCCCOCCCN 95583488 BZUXSGRJDSJBKW-HTXNQAPBSA-N 354.535 3.348 0 1 FGAF O=C1NC2=C(CNC/C2=C\c2ccccc2F)[C@H](c2ccccc2F)N1 96270601 PCXZWYXQTPSKMF-CWIMXHLESA-N 353.372 3.260 0 1 FGAF CCCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cc1 263590341 RQGGXXANGATZCL-MOPGFXCFSA-N 370.474 3.063 0 3 FGAF CCSC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2c(N)ncnc21 473107055 HFFXPMNWWOGMNX-GFCCVEGCSA-N 361.858 3.239 0 1 FGAF N=C(NN)N1Nc2onc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1 473124771 XAJQBMUPQSNIMG-HNNXBMFYSA-N 354.801 3.125 0 1 FGAF Cn1cc(-c2ccc(Cn3cc4c(=O)[nH]nc-4c4ccccc43)c(F)c2)cn1 299821464 KKXPLGBFNYGNDY-UHFFFAOYSA-N 373.391 3.417 0 1 FGAF COCCCCCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1 473083234 NKDUIYSNZOPXIR-GOSISDBHSA-N 367.467 3.315 0 1 FGAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c[nH]c(=N)[nH]c-2n1 587035318 RTHQGKAQUWWAER-NSHDSACASA-N 366.450 3.203 0 1 FGAF O=C1CCc2cc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc2N1 587041195 LJWPMJHNOPDCEK-HKUYNNGSSA-N 364.474 3.394 0 1 FGAF Nc1c(F)c(F)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587137036 PSODYPWFZKZHMC-UHFFFAOYSA-N 362.355 3.062 0 1 FGAF Cc1cc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c(C)n1 587203468 QMUVNOAATDAUMF-HNNXBMFYSA-N 368.393 3.017 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@@H]32)[C@H]1c1ccc(F)cc1 587343620 CWBHLAOLDOKFIL-DYXWJJEUSA-N 353.393 3.497 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587229819 CGFQQOGEMVERIG-IAGOWNOFSA-N 355.482 3.478 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(F)c(Br)c3F)nc2n1 587368522 SBGSCAGBINFTEU-UHFFFAOYSA-N 354.110 3.144 0 1 FGAF COc1cccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868121 GSMPQBBUZFUEAX-UHFFFAOYSA-N 350.300 3.365 0 1 FGAF CC(=O)NC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587743036 NDAOQNSQWNHIHN-ITNLDZRZSA-N 369.278 3.396 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CNC(C)=O)(c1ccccc1)CC2=O 587469044 GVTVAWHCSJKZBX-OAQYLSRUSA-N 353.418 3.342 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCO3 586961988 AAEIXOJUOUDOTC-CQSZACIVSA-N 358.423 3.382 0 1 FGAF COc1cccc2cc3c(nc12)[C@@](C)(CC(=O)Nc1ccccn1)NCC3 963059269 QCKRECFAULHUIQ-OAQYLSRUSA-N 362.433 3.028 0 1 FGAF COC(C)(C)[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963145777 OQVZLKNHUXSORW-GTNSWQLSSA-N 370.471 3.030 0 1 FGAF O=C(Nc1cccc(F)n1)c1cc(Oc2cncc(F)c2)cn2ccnc12 1772634974 HKICNYCLWXIZTH-UHFFFAOYSA-N 367.315 3.447 0 1 FGAF Nc1ncnc2c1c(-c1ccc3nc[nH]c3c1)nn2C1Cc2ccccc2C1 1772574812 YZYRBWNOTSONEJ-UHFFFAOYSA-N 367.416 3.292 0 1 FGAF COc1ccc2ccc(=O)oc2c1C[C@H](OC(=O)CC(C)C)C(C)(C)O 13334685 XAKVHDMPRFGESG-INIZCTEOSA-N 362.422 3.073 0 1 FGAF biogenic,in-vitro O=C(NCCC(=O)c1ccccc1F)Nc1ccc(Br)cn1 14943878 ZXZVCBMMKZOPKU-UHFFFAOYSA-N 366.190 3.378 0 1 FGAF O=C(Nc1ccncn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167095973 DIHRVTUTDGSRON-UHFFFAOYSA-N 359.389 3.277 0 1 FGAF CCC(=O)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1 1857551475 ZBVGKTFXWHTVKM-UHFFFAOYSA-N 353.466 3.265 0 1 FGAF COC(=O)CN1C(=O)[C@@H](CC2CC2)Oc2cc(-c3c(C)noc3C)ccc21 1857636018 FPVCLDPJKQOKJY-QGZVFWFLSA-N 370.405 3.026 0 1 FGAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 3906634 FKCGRGWZTKKHEU-MRXNPFEDSA-N 357.845 3.233 0 1 FGAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4050818 ZEFAKLOGOFOCJS-FCBIJRMHSA-N 366.461 3.302 0 1 FGAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc3c(c2)OCO3)N[C@H]1c1ccc2c(c1)OCO2 6576718 DNMVOMDRHGSSGO-IIBDXVJDSA-N 367.401 3.371 0 1 FGAF CCN(CC)CCN1C(=O)C(c2cccs2)=C(c2cccs2)C1=O 29124500 GCFZMENISRMWDZ-UHFFFAOYSA-N 360.504 3.431 0 1 FGAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)c1 100099981 OOOJVJIVPJPXDC-ZBYYUNFXSA-N 362.473 3.429 0 1 FGAF CCCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216382 FRHNZONNLFZTKQ-WFASDCNBSA-N 368.865 3.385 0 1 FGAF CCC(CC)C(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305904 RVIBRRLLRXBQMT-HZPDHXFCSA-N 371.481 3.481 0 1 FGAF COc1cccc2c1[C@H](c1ccc3c(c1)C(=O)C[C@@](C)(O)C3)O[C@@H]2OC 2356511084 XDJZKGNJUWDOAH-ACRUOGEOSA-N 354.402 3.340 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2C[C@@H](O)[C@]24CN(C)C[C@@H]2CC[C@@H]43)C1 2356767784 HQTAZQNFEIWFII-LZYQXXIISA-N 358.570 3.440 0 1 FGAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)c1ccccc1 36388193 SCJZHAJMUUSCIO-OAHLLOKOSA-N 362.433 3.173 0 3 FGAF COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C)cc1OC 3651479 IFIWTPAIQQQGOD-FSKQDFAOSA-N 372.417 3.490 0 1 FGAF biogenic CN1O[C@@](C)(CC(=O)Nc2cccc(N(C)C)c2)N=C1c1ccccc1F 74374215 ILPRZZAHAQVDQM-FQEVSTJZSA-N 370.428 3.260 0 3 FGAF CC(C)CNCc1ccc(-c2ncccc2S(=O)(=O)N2CCCC2)cc1 72114374 BMFOQXITOONDKY-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40380085 AMMIKVRYXNRYLI-NORHQAJESA-N 370.804 3.130 0 1 FGAF Cc1c(OCc2cccnc2)ccc2c(N3CCC(N)CC3)cc(=O)oc12 49942639 URMPAQXWPITJIZ-UHFFFAOYSA-N 365.433 3.003 0 1 FGAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(CCO)C3)cc12 226058755 LPTSBLOXQQIUCP-CYBMUJFWSA-N 355.413 3.159 0 1 FGAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 82180453 SGTKEXYZMACYMD-UHFFFAOYSA-N 366.469 3.006 0 1 FGAF Cc1cc2c(cc1Cl)S[C@H](C(=O)c1ccccc1)NS2(=O)=O 40834876 SKNLYQOSTABMNF-OAHLLOKOSA-N 353.852 3.241 0 1 FGAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895802 HKQKKWWMRZRAPL-FKBYEOEOSA-N 352.478 3.027 0 1 FGAF COc1cc(-c2c(-c3ccc4[nH]ccc4c3)c(=O)c2=O)cc(OC)c1OC 96928904 INTLVOCGDBFKDJ-UHFFFAOYSA-N 363.369 3.124 0 1 FGAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C 238775852 FUUBZHATRHDAMW-UNOAKOQMSA-N 350.455 3.169 0 1 FGAF Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 253633719 MXIVMTFMGCHKJZ-QAPCUYQASA-N 353.470 3.033 0 1 FGAF CC(CO)=C1CC[C@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@H]1CCC(=O)O 85850961 OCOLGWGUVNBXLA-QIYDDFJZSA-N 362.422 3.474 0 1 FGAF biogenic COc1cc2nc(C(F)(Br)Br)[nH]c2cc1OC 587087190 MURKCUBYKCCUGB-UHFFFAOYSA-N 368.000 3.450 0 1 FGAF CCOC(=O)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587793952 FRBFLMASZIFHJO-BAJKAOOYSA-N 356.235 3.291 0 1 FGAF N=c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2c[nH]1 587184009 NIYWMZBSVLIICW-SNAWJCMRSA-N 362.174 3.145 0 1 FGAF O=S(=O)(/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1 586924546 RXFYOWIGUVTVHF-JXMROGBWSA-N 356.403 3.169 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(C)=O)C(=O)OCC)CC2=O 587480443 JWEFMZQCXHKLTR-MGPUTAFESA-N 362.422 3.227 0 1 FGAF COC(=O)C[C@@]1(O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206118 GYNWNKBHZMXSDL-HSZRJFAPSA-N 373.408 3.229 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1F)[C@@H](C2)C3=O 587425920 HZPADVYYAUNWCC-QFYYESIMSA-N 364.170 3.481 0 1 FGAF COC(=O)C1(C)CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587804206 CXIHMENFKIXNMY-SRMZHNRWSA-N 356.235 3.291 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)ccc(Cl)c41)[C@@H](C2)C3=O 587420545 IMCUWRHVOFCGND-JEOXALJRSA-N 355.777 3.252 0 1 FGAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c(C)cc(Cl)cc12 587627036 MDFWOTWBXBXYCC-HNNXBMFYSA-N 362.857 3.447 0 1 FGAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4C(=O)O)-c1ccccc1C2=O 587102175 SVBGEQOZQAWOKH-OAHLLOKOSA-N 357.365 3.438 0 1 FGAF Cc1cccc(C[C@@]2(C(F)(F)F)NCCc3c(C(=O)O)cccc32)n1 963125846 VAOLUPFWPIFTFX-QGZVFWFLSA-N 350.340 3.234 0 1 FGAF COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c([C@@H](C)O)c1)c1ccccc1 1772570559 QXZSUWTXBMUNHX-JLTOFOAXSA-N 365.433 3.248 0 1 FGAF COCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166385235 CAPJGTDXGRNHAJ-UHFFFAOYSA-N 353.422 3.001 0 1 FGAF O=C(N[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167171400 ZKQNYWUNHRWFPK-IBGZPJMESA-N 365.433 3.143 0 1 FGAF CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(F)ccc4Cl)n3c2c1 1857747473 ZXMQNBVWEHPNNK-UHFFFAOYSA-N 369.787 3.405 0 1 FGAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccccc4)cccn3[nH]1)C2 1857752460 BXQJZJQFDUGDQE-QGZVFWFLSA-N 358.449 3.004 0 1 FGAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)c1 2483250 MCXCKIGMXRXDSM-UHFFFAOYSA-N 370.380 3.269 0 1 FGAF Cc1onc(-c2ccccc2)c1CNC(=O)[C@H]1COc2ccccc2O1 4389115 TXMFSDLLUNEETA-GOSISDBHSA-N 350.374 3.106 0 3 FGAF CCOc1c2ccc(C(=O)NCc3ccccc3OC)cc2nn1CC 8801876 ICLURCPWNHQZMI-UHFFFAOYSA-N 353.422 3.394 0 3 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc2ccccc2cn1 103253084 DIVYDNFJVUVXSB-GOSISDBHSA-N 362.385 3.198 0 1 FGAF CCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1Cl 64453429 YCVHXXNYLSKBKJ-ZDUSSCGKSA-N 354.878 3.221 0 1 FGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13CC[C@@H](C[C@@H]21)[C@@H](CO)C3 2356470229 TXELHOYJNPPLEM-QVPHRIAPSA-N 350.455 3.013 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)O2 36093311 GWGUPRNQVJIAAS-MQYQWHSLSA-N 372.202 3.115 0 1 FGAF CC(=O)[C@H](C)[C@@H]1c2ccc3c(c2C(=O)c2ccc4c(c21)OCO4)OCO3 13385386 KIGVBPONNKWVTQ-BJOHPYRUSA-N 352.342 3.045 0 1 FGAF biogenic O=C(c1ccc(F)cc1)N1CCO[C@H](c2nc(-c3ccc(F)cc3)no2)C1 36386634 DAUVFJWNZUMGIQ-INIZCTEOSA-N 371.343 3.229 0 3 FGAF COc1cc(C(=O)c2c[nH]c3c(O)c(OC)ccc23)cc(OC)c1OC 40917113 FEYUTHKUCJCUAD-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF O=C1O/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1cccnc1 84586539 URYRHULMSUIGFS-QPEQYQDCSA-N 361.151 3.074 0 1 FGAF O=C1[C@H]2C=C(I)[C@H](C[C@@H]2c2ccccc2)[C@]12CO2 40914565 UOJNGNCLTBEZAO-OXJKWZBOSA-N 352.171 3.077 0 1 FGAF O=C([C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1)N1CCCCC1 82072988 MOPJHTCCQLCXKQ-KRWDZBQOSA-N 369.490 3.427 0 1 FGAF COC1CCC2(CC1)Cc1ccc(CC(C)C)cc1[C@@]21N=C(N)N(C)O1 141080015 KYOBUNYVSJPTDD-JITJBCMDSA-N 357.498 3.361 0 1 FGAF CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)ccc14)[C@H]32 238742985 NAMSIRMSFVGAKD-YPAWHYETSA-N 368.477 3.454 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCNCC1)CC2=O 587476051 SPCKWOYYNUANTK-OAQYLSRUSA-N 366.461 3.461 0 1 FGAF COC(=O)COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402455 XYJLJDTZLYQMDJ-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF CN(C)CCOc1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 587136240 FBNKZUFWCKEQOK-UHFFFAOYSA-N 350.344 3.170 0 1 FGAF COc1cc2c3c(c1)O[C@](CC1OCCO1)(c1cccc(F)c1)[C@@H](C2)C3=O 587426960 FNJVZVYLLYDTQP-HRAATJIYSA-N 370.376 3.240 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2N)N1 587748565 XSBIFLITMGCSMW-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587716907 DZKYAGQXADEPGH-IIRLODAESA-N 362.214 3.239 0 1 FGAF Clc1ncnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586996572 WAJPATFKPZRWHD-UHFFFAOYSA-N 352.623 3.423 0 1 FGAF N[C@@H](N=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587116733 ADUTUECNPPMVJU-HNNXBMFYSA-N 364.331 3.428 0 1 FGAF COc1ccc(C)cc1NCCCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587229207 RPLZDWBJRNDFFN-UHFFFAOYSA-N 373.478 3.328 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 586921444 ACIOAYALIJUSHR-UHFFFAOYSA-N 369.368 3.361 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCCc1ccccc1)O2 587388159 XBTSRIQOBAITBK-OAQYLSRUSA-N 352.434 3.050 0 1 FGAF CCOC(=O)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594310 GHKBCINUJCSWCE-UZLBHIALSA-N 354.358 3.066 0 1 FGAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)s1 587015017 VWQKAWWAUNUBFG-SECBINFHSA-N 367.452 3.339 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Br)ccnc3[nH]1)C2 587247267 OAHDQCFDVABLRV-QGZVFWFLSA-N 373.254 3.072 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(C)(=O)=O)c1)CC2=O 587489424 UVMVNSVYKZRXKB-SFHVURJKSA-N 360.431 3.455 0 1 FGAF CCOC(=O)[C@@H]1[C@@H](C)CC=C[C@]12NCC(C)(C)c1ccc3c(c12)OCO3 963389601 CIGBNNMPOPGNNG-PCMMCCAGSA-N 357.450 3.267 0 1 FGAF C[C@@H]1C(=O)OC=C[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962958976 PUJAAIOORGKHGC-KZULUSFZSA-N 367.367 3.259 0 1 FGAF Cc1sc2c(c1C)CCN[C@]21C(C(=O)O)=CN(C)c2c(F)cccc21 963008821 KDKAYPBLMDOOQO-LJQANCHMSA-N 358.438 3.312 0 1 FGAF Cc1ccc(NC(=O)[C@@H](N=O)[C@@]2(C)NCCc3ccc(O)cc32)c(C)c1 963327930 BMGMGRYHFYOGKB-QUCCMNQESA-N 353.422 3.144 0 1 FGAF Nc1nc(-c2cccc(C(F)(F)F)n2)nc(N)c1Cc1ccccc1F 116188720 GFKVIKZSAYZZLE-UHFFFAOYSA-N 363.318 3.452 0 1 FGAF Cc1cc(-c2nnc(CCC(=O)N(C)C[C@@H](O)c3ccccc3)o2)c(C)o1 15074037 XSGYLILWFNPDMW-QGZVFWFLSA-N 369.421 3.071 0 1 FGAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(-c3ccccn3)[nH]2)cc1 169317581 DELRPYSQYIICCP-INIZCTEOSA-N 366.465 3.267 0 1 FGAF Cc1cccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857570049 ZEFYSNINSJVGJT-QGZVFWFLSA-N 354.431 3.343 0 1 FGAF C[C@@H](Sc1nc(NC(C)(C)C)nc(N(C)C)n1)C(=O)Nc1ccccc1 804846 HHJJQRAMDHOLAO-GFCCVEGCSA-N 374.514 3.267 0 3 FGAF CN[C@@H]1[C@H]2C=C[C@@]34[C@@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@]3(C2)C[C@]42CCC[C@@H]12 2356355462 FBFPTUVKXJCALB-QAGABSCZSA-N 357.538 3.403 0 1 FGAF O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(CCCO)cc2c1=O 3922869 VMPDJKLCDOCUMM-UHFFFAOYSA-N 370.836 3.036 0 1 FGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054592 OJAOOVURWPBBAX-SCTDSRPQSA-N 372.852 3.319 0 1 FGAF COc1ccc([C@@H]2NC(=N)NC(c3ccc(Cl)cc3)=C2CC(=O)O)cc1 103262269 ODZXQRDLNZVOSR-SFHVURJKSA-N 371.824 3.403 0 1 FGAF O=C(O)c1ccc2c(c1)C[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117629131 DZQZQBDVSLCHJB-LPHOPBHVSA-N 361.401 3.206 0 1 FGAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61907063 UKTLIOJOLHGLCN-OAQYLSRUSA-N 356.466 3.311 0 3 FGAF O=C1C[C@H](OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 66078296 NIZDXKKKAUREEY-RHFRXIPYSA-N 354.494 3.067 0 1 FGAF O=C1CC[C@@]23Oc4ccc(O)c5c4[C@@](CCC5=O)(Oc4cccc1c42)O3 2356722031 WMPKVLZMOLUZGC-PMACEKPBSA-N 350.326 3.152 0 1 FGAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@@H]2N1CCN(CCO)CC1 26669902 BZBHGCBFWKSYCV-UNMCSNQZSA-N 354.469 3.321 0 1 FGAF CCCc1cc(CCC)n2nc(S(=O)(=O)Cc3ccc(C)cc3)nc2n1 27419873 AGLJJZSSHMHTNM-UHFFFAOYSA-N 372.494 3.312 0 1 FGAF Cc1ccc(CN2CC(=O)N3[C@@H](C)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 2154827 WMJTWWVMZJECJY-MGPUTAFESA-N 373.456 3.333 0 1 FGAF biogenic O=C(O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081305 ACLXSELUBDHELC-MRXNPFEDSA-N 350.374 3.432 0 1 FGAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cnco4)n3)ccc21 95755416 HJPQNIRHBYWWEN-UHFFFAOYSA-N 368.418 3.350 0 1 FGAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@@H](c2cccs2)C1 299861240 HYWWOHDARSMDFC-GFCCVEGCSA-N 369.402 3.093 0 1 FGAF Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 653793699 XJMSMCPJXGVMCL-VXKWHMMOSA-N 360.461 3.311 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCO4)CCC(=O)CC1 587234403 MFUJEJZAVDWKIC-UHFFFAOYSA-N 373.409 3.155 0 1 FGAF O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 586884490 NMNIYHKBGIAJKF-VIFPVBQESA-N 360.357 3.473 0 1 FGAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OCC(=O)O)=CO1 587534471 DXSGONCGIIOVPN-FQEVSTJZSA-N 356.374 3.146 0 1 FGAF COc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cn1 587160966 JHFLIHBEAHTLRG-UHFFFAOYSA-N 358.764 3.066 0 1 FGAF CN1C=C[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587335674 HZPXFBIPWXYFLF-QUCCMNQESA-N 353.349 3.005 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)no2)N1 587790947 DCENYSPRBZKOFZ-NZFNHWASSA-N 369.190 3.072 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)F)ncc2[nH]1 586966426 DHOZUQRWPYLRCS-UHFFFAOYSA-N 354.313 3.362 0 1 FGAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2 587467684 BQTHQVHDQHFHOT-DQFNUGKXSA-N 369.461 3.360 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1OCC(F)(F)F)O2 587383293 VNBXCWMCYUYHNP-CYBMUJFWSA-N 369.343 3.267 0 1 FGAF CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587956411 AJIRLCYOPXMDTH-UHFFFAOYSA-N 358.419 3.188 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586922396 MEQMTCRCAYIDHP-UHFFFAOYSA-N 358.419 3.185 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587247755 SDJKVYBSSLXFSQ-UHFFFAOYSA-N 365.437 3.311 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cccn2-c2cccc(F)c2)N1 962924709 UTIRDCTWKJKQKR-LPHOPBHVSA-N 354.356 3.444 0 1 FGAF CC(C)(C)OC(=O)Nc1cc([C@H]2NCCc3c(C(=O)O)cccc32)ccn1 963136234 ZISOGZIFDMFYSG-QGZVFWFLSA-N 369.421 3.362 0 1 FGAF Cn1c(=O)n(C)c2cc([C@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)ccc21 963103777 OBDCPSLFYJYQPV-KSFYIVLOSA-N 365.452 3.300 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccnc1)C1CCOCC1 963636404 QSHUPTYANMNCJJ-IVZQSRNASA-N 368.477 3.303 0 1 FGAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCC23CCOCC3)N1 962714799 VQUWQGMKAKZRBV-RHSMWYFYSA-N 373.346 3.229 0 1 FGAF COc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)s1 13600524 AAUPUPPWUXPABG-UHFFFAOYSA-N 352.419 3.030 0 1 FGAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccncc1)CCCC3 169686326 MXUPEBJSNJKCCA-IRXDYDNUSA-N 364.449 3.355 0 1 FGAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccccc2)cc1 169729697 SSYBMYBOJXWIGY-MSOLQXFVSA-N 352.390 3.280 0 1 FGAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCC(C)(C)CO)cc1 774260 UMARJZSPRIFWPA-UHFFFAOYSA-N 370.405 3.359 0 1 FGAF CN(C[C@H]1CCc2nc(N)nc(N)c2C1)c1ccc(Cl)c(Cl)c1 3814876 SWRZVDTZHDWPDS-VIFPVBQESA-N 352.269 3.189 0 1 FGAF CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3cc(C)ccc23)c(O)c1 103285969 LFEJKDOOPLYGQZ-UHFFFAOYSA-N 370.357 3.268 0 1 FGAF COc1ccc([C@H]2COC[C@@]3(C2)OCCN[C@H]3c2ccc(F)cc2)cc1 26568558 UCOVAVBDTKVUBA-JRGCBEDISA-N 357.425 3.438 0 1 FGAF COc1cccc2c1[C@H](c1ccc3c(c1)C(=O)C[C@](C)(O)C3)O[C@@H]2OC 2356511086 XDJZKGNJUWDOAH-PCCBWWKXSA-N 354.402 3.340 0 1 FGAF CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)C[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 36222739 SLKDSLAWMQSCJY-NRLBWEKTSA-N 369.527 3.134 0 1 FGAF O=c1ccc2cc(OCCCNC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 71295820 QGYFXRKMAMPCLQ-AZUAARDMSA-N 370.493 3.416 0 1 FGAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccccc3)C2)cc1 73295089 MHPKGGGCCZJCKM-QGZVFWFLSA-N 351.431 3.476 0 1 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccc(F)cc3)[C@@H]1C2 72177381 QPOVAXRQPIMWFQ-KDOFPFPSSA-N 371.437 3.020 0 1 FGAF CN1O[C@](C)(CC(=O)Nc2ccc(F)cc2F)N=C1c1ccccc1F 74374247 PNCFYVSGHMNWDS-GOSISDBHSA-N 363.339 3.473 0 3 FGAF Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc2c(N)n[nH]c12 40935567 DKOFSMUNNKPPDR-UHFFFAOYSA-N 358.467 3.197 0 1 FGAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@H](CC(=O)CCC[C@]4(C)OC[C@@H]2C)[C@@H]31 40879059 ARTZUUBHXRPSMO-PGFRHXHOSA-N 364.482 3.142 0 1 FGAF CCOc1ccccc1NC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2C1=O 473155138 PGMMLDYEAFGAOG-CQSZACIVSA-N 355.390 3.096 0 1 FGAF COc1cc(CCNCc2ccccn2)c(OC)cc1Br 473098385 FTGWSNODMDDJLT-UHFFFAOYSA-N 351.244 3.194 0 1 FGAF Nc1ncccc1-c1ccc2nc(C(=O)NCc3ccc(F)cc3)cn2c1 299840891 WOPNXFYYLIIHOG-UHFFFAOYSA-N 361.380 3.048 0 1 FGAF CC[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590687 CWIPUCVHAPJTFT-JOTOCRJQSA-N 356.374 3.312 0 1 FGAF COC(=O)[C@@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441296 DHJIPANUVXOBSL-YDZGXFTCSA-N 352.386 3.147 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccc(F)c(F)c3[nH]2)CCC(O)CC1 587237781 WZMJZDZSXDUEFP-UHFFFAOYSA-N 367.396 3.496 0 1 FGAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C1 587581401 HKFWQUFVNSIDNV-IBZMOEQTSA-N 353.418 3.454 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(O)c(OC)c(OC)c1)[C@@H](C2)C3=O 587440633 ADNDKNMTZQFVDN-RNODOKPDSA-N 356.374 3.081 0 1 FGAF NC(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587219115 LZLMOAZGPJNGIB-IBGZPJMESA-N 370.412 3.181 0 1 FGAF O=Cc1ccc(OCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587566275 DPENTQPYYWUVIE-UHFFFAOYSA-N 370.718 3.411 0 1 FGAF CCOC(=O)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795240 IDQUPLKBJUGBQB-JDNHERCYSA-N 356.235 3.291 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N1CCOCC1 587864252 NEIYLBBZHJVBPI-UHFFFAOYSA-N 371.384 3.043 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC(=O)NC(=O)[C@@]4(C)CC[C@H]32)C1 5711813 FOXNKNXXDGRBFV-GLDUVZCJSA-N 359.466 3.134 0 1 FGAF CCCc1nn(C)c2c(NC)nc(-c3cc(OC)c(OC)c(OC)c3)nc12 1857561507 CAKJGZSUSRRSMD-UHFFFAOYSA-N 371.441 3.050 0 1 FGAF Nc1cccc(-n2c(=NCc3ccc(F)cc3)[nH]c3ccccc3c2=O)c1 1857563281 FTIBFTXYROEKFE-UHFFFAOYSA-N 360.392 3.141 0 1 FGAF CC=CC(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356359514 MHLKYRDXNNGAMX-RTBURBONSA-N 372.373 3.056 0 1 FGAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2cn(C)c3ccccc23)Oc2ccccc21 2356403516 MANPJKSRXWCSNL-OXJNMPFZSA-N 361.445 3.177 0 1 FGAF Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1 2957646 LTLCEIQDDMPWCS-UHFFFAOYSA-N 355.829 3.050 0 3 FGAF Cc1cc(C=O)cc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1 3605732 SEFNHVPFQAGLEC-UHFFFAOYSA-N 360.377 3.291 0 1 FGAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055627 WBWHDQWXIYXOTA-NVXWUHKLSA-N 362.813 3.178 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@H]1C 2356456249 WKZIMJTUNFMKDY-QPXFZVHISA-N 360.450 3.498 0 1 FGAF CO[C@H](C=Cc1ccccc1)C[C@H](CC=C[C@H]1C[C@H](O)CC(=O)O1)OC 2356457951 COSPBJKXLJQUJI-HAGHYFMRSA-N 360.450 3.133 0 1 FGAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1[S@@](=O)c1ccc(F)cc1 28380419 VNYCGFXZOQHLEM-JOCHJYFZSA-N 351.424 3.186 0 1 FGAF N[C@@H](CCc1ccccc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 29038836 QELOIXSGJMIHBZ-ZWKOTPCHSA-N 361.378 3.118 0 1 FGAF CO[C@H]1[C@@H]2C(=C3CCC(=O)c4c(O)ccc2c43)c2cccc(O)c2[C@H]1O 602399 XAABSYWNTKOZII-TYPHKJRUSA-N 350.370 3.144 0 1 FGAF biogenic CC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3cc[nH]n3)nccc12 1911574239 KHKWQJQESOKKHK-CYBMUJFWSA-N 353.426 3.032 0 1 FGAF CC[C@H]1C(=O)c2[nH]ncc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 49036281 TYZNGDLYLRYJCS-KGLIPLIRSA-N 367.858 3.180 0 1 FGAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@H]1CCOc2ncsc21 220871187 IWRHDVLEQXHPER-JTQLQIEISA-N 373.261 3.125 0 1 FGAF COc1ccc([C@@H]2Oc3c(OC)cc([C@@H](O)[C@@H](C)O)cc3[C@H]2C)cc1OC 238770972 CPAGSSOMSLQZRD-DRLYEABHSA-N 374.433 3.364 0 1 FGAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3CC(C)C)nc1 142240389 OWDAITQPPDDSMW-HNNXBMFYSA-N 366.465 3.173 0 1 FGAF CC(C)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1C1CC1 145093193 HDIGCQUAWKNNKV-IAGOWNOFSA-N 370.415 3.468 0 1 FGAF COC(=O)c1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587198081 SOOHKGPERLBYPQ-CQSZACIVSA-N 362.430 3.309 0 1 FGAF Cc1ccc(-n2ccnc2SCc2nc3c(N)ncnc3[nH]2)c(C)c1 586966780 RKLOMGJWXUZFQZ-UHFFFAOYSA-N 351.439 3.030 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccnc1)CC2=O 587486502 CEIOMZANFOEWFX-FQEVSTJZSA-N 355.390 3.164 0 1 FGAF COc1cncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587160936 IONSGSQHPDLZKK-UHFFFAOYSA-N 358.764 3.066 0 1 FGAF CC[C@]1([C@H](C)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596449 VRAZCDSQTDYXLV-CBLJQSSYSA-N 356.374 3.312 0 1 FGAF C[C@@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587356562 KESUGBCCYLUIPJ-QOJIHNNFSA-N 356.349 3.210 0 1 FGAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587744220 GJVXZTQLAIRZTD-RFAUZJTJSA-N 350.235 3.497 0 1 FGAF COc1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1O 587785521 BEIYGHNHJOAELZ-UHFFFAOYSA-N 366.402 3.395 0 1 FGAF CO[C@H](C)COC1CCC(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1 587950887 DVUQTPGJYXBKFF-VQCLRJIVSA-N 359.470 3.342 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 586930175 GZAFIQFWAMUVSC-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF CC(=O)CSc1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1N 958061072 JXDBSFBNNQTSIZ-UHFFFAOYSA-N 365.867 3.173 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)OCC)c1cnccn1 963224945 FDBSSRZQTAZTIK-IIBYNOLFSA-N 353.466 3.330 0 1 FGAF Cc1cc(OC2CCN(C3CCC3)CC2)ccc1NC(=O)CN1CCCC1 149453142 LHNVNXHHNVNFNK-UHFFFAOYSA-N 371.525 3.425 0 1 FGAF COc1ccc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1O 1772654260 KEQWMSHCZCJPFX-UHFFFAOYSA-N 373.416 3.130 0 1 FGAF Cc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)cc1 13673915 UNZRWCRCVPJLCE-UHFFFAOYSA-N 361.394 3.261 0 1 FGAF COc1cc2onc(C3CCN([S@](=O)C(C)(C)C)CC3)c2cc1OC 206029380 TXHXPEVUICFBPM-RUZDIDTESA-N 366.483 3.487 0 3 FGAF CC(C)CCNC(=O)c1cnc(NC(=O)N2Cc3ccccc3C2)s1 166370594 HGNLWFFBWDEPOM-UHFFFAOYSA-N 358.467 3.467 0 1 FGAF CCCCC[C@@H](O)/C=C/C=C\C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 167541828 IXAQOQZEOGMIQS-ISVGSIMTSA-N 352.471 3.129 0 1 FGAF COc1ccc2c(=O)c(OC(C)=O)c(-c3ccc4c(c3)OCO4)oc2c1 1857554934 WGENSWPYQGYDPY-UHFFFAOYSA-N 354.314 3.123 0 1 FGAF CN(CCCNC(=O)[C@]1(C)CON=C1c1ccccc1)c1ccccc1 2459521 ZDFSOKNQYCZSGY-OAQYLSRUSA-N 351.450 3.070 0 1 FGAF CC1(C)CC(=O)[C@H]2C(=Nc3nc(S)[nH]c(=O)c3[C@@H]2c2ccccc2)C1 2477858 SQFPTTKYEMJDTN-ZIAGYGMSSA-N 353.447 3.282 0 1 FGAF Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 59262785 WZFYVAXGOJDHFD-PXNSSMCTSA-N 371.525 3.423 0 1 FGAF O=C1c2cccc(Br)c2C(=O)N1CCCCCn1ccnc1 27895541 KFZKDSYDJIKDEV-UHFFFAOYSA-N 362.227 3.112 0 1 FGAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(Cc3ccsc3C1)N2 28529623 JGCILFCSMGUNBX-LJQANCHMSA-N 367.430 3.404 0 1 FGAF N[C@H]1CN(c2cc(-c3cc(F)cc(F)c3F)ncn2)C[C@@H]1c1ccccc1 66080452 FJQSYSMMQVIFQP-WBVHZDCISA-N 370.378 3.492 0 1 FGAF CC(=O)O[C@H]1CC(C(=O)O)=CCCC(C)=C[C@@H](OC(C)=O)[C@@H]1C(C)C 2356476410 DMIGIXZMNGJDMW-SQNIBIBYSA-N 352.427 3.263 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(CN3CCCC3)cc1)C2 28338261 NHKALDYCLFCPIU-NRFANRHFSA-N 367.445 3.486 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45C=CCN4CC[C@@]12[C@H]3CC5 2356783681 LWTSCZYWXUUJKI-WJMWBRGCSA-N 352.434 3.086 0 1 FGAF COC(=O)N1CCc2cc3c(c4c2[C@@H]1Cc1cc(O)c(OC)cc1-4)OCO3 13451321 HOHBOJJFTZZXDF-ZDUSSCGKSA-N 369.373 3.018 0 1 FGAF biogenic CC[C@@]12C[C@@]3(C(=O)OC)O[C@@H]1C=CN1CCc4c(n3c3ccccc43)[C@@H]12 14829375 QMWSDSZPXGRFNN-DWIQEWEKSA-N 350.418 3.093 0 1 FGAF biogenic COc1ccc(OC)c(-c2cnc3c(N4CCOCC4)snc3c2)c1 223271633 IZLFOZWHNWQVNO-UHFFFAOYSA-N 357.435 3.212 0 1 FGAF CC[C@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccccc1F 82152464 HDNKUXXVGSNSBG-ZDUSSCGKSA-N 360.433 3.259 0 1 FGAF CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1cccc(O)c1 49803916 LOLFKKQHIFLOFL-PXNSSMCTSA-N 364.401 3.211 0 1 FGAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)C1 82142532 BMHRIJWDJVUXSK-GJZGRUSLSA-N 354.454 3.455 0 1 FGAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1nc(C)cc(C)n1)C2 226037791 SDCYGFWVWNDIJL-JQFCIGGWSA-N 370.428 3.099 0 1 FGAF c1ccc([C@]2(CCNCc3cnccn3)CCOC3(CCCC3)C2)nc1 96940348 RGZVCOKHHUZDOY-HXUWFJFHSA-N 352.482 3.413 0 1 FGAF CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 142391987 RPMPXYCWDAZPGT-UHFFFAOYSA-N 360.845 3.384 0 1 FGAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCF)cn1 142248260 LDKHAFPYLPDPEG-UHFFFAOYSA-N 355.369 3.323 0 1 FGAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)C3CCCCC3)C2)O1 96019039 PCIGASZWDNENDK-XLIONFOSSA-N 351.487 3.450 0 3 FGAF Cc1cc([C@]23O[C@@H]4COC(C)(C)O[C@@H]4[C@H]2OC(C)(C)O3)nc2ccccc12 254240962 ZUAHQDPDUQIUOG-LNNXQNCSSA-N 371.433 3.398 0 1 FGAF C[C@]1(c2cc(CO)on2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349509 UXHDLOODORCOQN-AZUAARDMSA-N 369.348 3.286 0 1 FGAF CCOC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599119 VOIGRLJEWBEGHA-XLIONFOSSA-N 356.374 3.456 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3nc(Cl)c[nH]c-3n2)cc1 586971102 UGCXYZNSGKKGSU-UHFFFAOYSA-N 361.858 3.181 0 1 FGAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2c(C)cc(Cl)cc12 587627037 MDFWOTWBXBXYCC-OAHLLOKOSA-N 362.857 3.447 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1-n1cncn1)[C@@H](C2)C3=O 587418427 HLTSSBOMURXGHU-LIRRHRJNSA-N 367.792 3.418 0 1 FGAF Fc1cnc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587009056 UGPFNDMEBRZWNO-UHFFFAOYSA-N 367.569 3.223 0 1 FGAF CCOc1n[nH]c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1Br 586980017 MTAMKHXFFWWVIH-UHFFFAOYSA-N 360.574 3.302 0 1 FGAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)[C@H]1C(=O)O 587529249 MHFOYANBURILPJ-NDBOLSLLSA-N 372.417 3.101 0 1 FGAF COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Cl 586949929 HGVXGUGYXMFCQO-UHFFFAOYSA-N 365.842 3.187 0 1 FGAF COC(=O)[C@@H]1CC(C)(C)C[C@]12c1cc(OC)c(OC)cc1C[C@H](C)N2C 962631056 QGBHNADIHYFHCF-PCMMCCAGSA-N 361.482 3.385 0 1 FGAF COC(=O)c1cccc(NC(=O)C[C@]2(C)NCCc3ccc(F)c(C)c32)c1 962095741 WJUZRPKBHVTBFF-NRFANRHFSA-N 370.424 3.310 0 1 FGAF CCOc1c(Cl)cccc1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511869 VRVYTPNADPLRFZ-DOTOQJQBSA-N 361.825 3.441 0 1 FGAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cc(C(=O)O)no1 962400339 UOGMOTGTEPAMQO-GOSISDBHSA-N 357.435 3.095 0 1 FGAF O=[S@](Cc1cc(OCC(F)(F)F)ccn1)c1nc2cscc2[nH]1 13448695 GEWBSLTXKMYPDG-QHCPKHFHSA-N 361.370 3.268 0 1 FGAF Nc1ccc(C(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 13456505 IKIMLYVWJCGGQP-UHFFFAOYSA-N 367.493 3.454 0 1 FGAF Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccc[n+]([O-])c3)n2)c1 13489754 LPUMVYSUHSFPNJ-UHFFFAOYSA-N 358.405 3.323 0 1 FGAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=O)N32)cc1 13527952 HYJGBNBJWNPYLA-IEBWSBKVSA-N 361.401 3.085 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(CO1)[C@@H]2CCC1=CCOC1=O 13780191 DQWMVEAMMROUQY-QANQIFJLSA-N 362.466 3.415 0 1 FGAF COc1ccc2nc(C)cc(OCC(=O)NCCc3ccccc3)c2c1 1857755127 IVNXEBYXBIGLHS-UHFFFAOYSA-N 350.418 3.290 0 1 FGAF OCc1ccc(-c2cccc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)s1 143638973 GMADMWOUOOIIHH-IBGZPJMESA-N 366.490 3.433 0 1 FGAF CC(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305823 KAOXQKJFQLXPLO-LSDHHAIUSA-N 357.454 3.091 0 1 FGAF COc1ccc(CCC(=O)c2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cc1 29487463 QGUWHOKFRHUBJX-SFHVURJKSA-N 369.442 3.405 0 1 FGAF CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccn3)[C@H]21 84729030 YXLCOBLTAWMMRS-ZDRNMDQLSA-N 365.521 3.203 0 1 FGAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1cccc(-n2cccn2)c1 230601860 LLUMDYMMPVKITO-JFUPDXTOSA-N 353.447 3.176 0 1 FGAF Nc1cccc(C(=O)O)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 587248417 PFNMKIIANJWOJT-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCCN(C)C)c1)O2 587385913 FWKRDKKFZNQRKX-NRFANRHFSA-N 354.450 3.398 0 1 FGAF Oc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969593 NMOKGORHRKXJAN-UHFFFAOYSA-N 368.374 3.340 0 1 FGAF CC1(C)C[C@@]2(CC(=O)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346282 LLONVDZKWWLQNS-WIYYLYMNSA-N 369.392 3.318 0 1 FGAF CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H]1CCC(=O)N1 587106744 NVEVFOXPGBWSEY-NQIIRXRSSA-N 370.408 3.397 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nn(-c4ccccc4)nc31)O2 587391189 LIUOLMLWDOZMSV-OAQYLSRUSA-N 360.417 3.355 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)nc2[nH]1 587042088 IGHUEBJETFGLKV-VIFPVBQESA-N 369.288 3.341 0 1 FGAF C[C@@H]1C(=O)[C@@]2(C=CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342791 HGOIQYZYGNTYBJ-NWXLUKJOSA-N 367.376 3.046 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccccc1)CC2=O 587484805 HOVMMYMJGBOKBR-FQEVSTJZSA-N 374.458 3.250 0 1 FGAF Oc1nc(S)nc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587012451 JQJCGOKYGUBMLY-UHFFFAOYSA-N 370.257 3.111 0 1 FGAF CC1=C(c2ccc3nc(-c4cc5cc(N)ccc5o4)[nH]c3c2)NNC(=O)C1 587252890 RPYCCDHLBWMGFN-UHFFFAOYSA-N 359.389 3.314 0 1 FGAF CCSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454249 XNYCQPNYTIFSGH-JLTOFOAXSA-N 367.426 3.402 0 1 FGAF COc1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)cc1Cn1ccnc1 962921327 SSVJPOXVDDDYDF-OAQYLSRUSA-N 365.481 3.032 0 1 FGAF O=C(Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1cccs1 13154125 LZWRWKMEAPIVKG-PRRDBKRISA-N 364.426 3.312 0 1 FGAF O=C(c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3)N1CCOCC1 13657615 FNKNLQYQGFFOMX-UHFFFAOYSA-N 369.808 3.044 0 3 FGAF COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1 205042293 JYARRJYJHOVNPN-UHFFFAOYSA-N 374.868 3.476 0 1 FGAF COc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1 1344215 DPOUTLZAMRELBY-UHFFFAOYSA-N 358.463 3.024 0 3 FGAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C 1655271 SDADZOKIHXSRSR-FWAYRLMKSA-N 354.487 3.498 0 1 FGAF CSCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O 2500075 AMRUIPIFXBDZGZ-CZUORRHYSA-N 358.511 3.383 0 1 FGAF O=C(NCCCN1CCCCC1)[C@H]1CCCN(c2nc3ccccc3o2)C1 2912541 ADWROEMRGGOEBI-KRWDZBQOSA-N 370.497 3.036 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cc(NCc3cccs3)ncn2)c1 4257415 IMUMMPXZJVKSJZ-UHFFFAOYSA-N 360.464 3.189 0 1 FGAF CC[C@@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@H]13 2356363179 JMPUQJQXECRLKY-OMLJCBFHSA-N 367.489 3.350 0 1 FGAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccccc2Cl)c1 114079901 ARQXIEWAUSQQHM-UHFFFAOYSA-N 369.856 3.109 0 1 FGAF Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCCC2)cc1 58581665 GCQNSCMXSPQKFM-IBGZPJMESA-N 351.429 3.436 0 1 FGAF CCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)C[C@H]1c1ccccc1 28525405 BEOATIXNXFYMJU-PMACEKPBSA-N 350.462 3.488 0 1 FGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2CC1CC1 1911582456 AFVBWCVBTBQIOJ-UHFFFAOYSA-N 350.304 3.025 0 1 FGAF CC(=O)NCc1ccc2oc(=O)c(C(=O)Oc3cccc(Cl)c3)cc2c1 40863881 KHPBWYOJTNUBMZ-UHFFFAOYSA-N 371.776 3.302 0 1 FGAF O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1 84710246 IZKCQXJLQBPUNV-UHFFFAOYSA-N 353.230 3.416 0 1 FGAF CNC(=O)c1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1 84687492 NKFBZEZUTHZPHP-UHFFFAOYSA-N 351.200 3.022 0 1 FGAF COc1nc2c(cc1C(=O)NCCc1nc3ccccc3s1)CCC2 91713977 ROZQPQNVINFUAG-UHFFFAOYSA-N 353.447 3.161 0 1 FGAF NC(=O)c1[nH]c(=Nc2ccc3ccc(F)cc3c2)sc1NC(=O)C1CC1 473164822 AEEIKONDHWELJP-UHFFFAOYSA-N 370.409 3.048 0 1 FGAF CNC(=O)c1cccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)c1 653760717 SHSJAABXOLAAFS-UHFFFAOYSA-N 372.384 3.152 0 1 FGAF CN1CCC([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587584439 YBRHPJDHSFXLLW-GHTZIAJQSA-N 353.418 3.454 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593526 KDDRCPOSQUHVOL-AQBLEKOUSA-N 351.402 3.349 0 1 FGAF Fc1cccc(C2(F)CC(c3nc4ccc(-n5cnnn5)cc4[nH]3)C2)c1 587131288 CCFAHNLUJKSJEU-UHFFFAOYSA-N 352.348 3.420 0 1 FGAF Cc1nn(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1Br 586978822 JFLKKRHOKONGCM-UHFFFAOYSA-N 374.242 3.072 0 1 FGAF COC(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516497 XNFWXIQCIJZANL-OAQYLSRUSA-N 351.402 3.384 0 1 FGAF CCOC(=O)[C@@H](Cc1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397699 AIUHAVVLMWSZOI-LPHOPBHVSA-N 353.418 3.333 0 1 FGAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443081 SYCYESUCXILKNO-LZJOCLMNSA-N 366.413 3.233 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cncc(Cl)c2[nH]1 587193921 INEDRLVXYWMZRZ-NSHDSACASA-N 353.854 3.129 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(O)cc3Br)c3cccc1c32 963017489 BSRGIVBJOVOXQG-XTZNXHDOSA-N 373.250 3.297 0 1 FGAF CCC[C@@H]1Oc2ccccc2N(Cc2cn(Cc3ccccc3)nn2)C1=O 1772570993 UGJMZQQNABJDIT-FQEVSTJZSA-N 362.433 3.421 0 1 FGAF CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@H]21 13820211 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ORFLNTHIEFVEDL-NRDMVMEKSA-N 366.461 3.497 0 1 FGAF CN1CCC[C@H](Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)C1 1857615027 JDQWEBAFXPTDQU-ZDUSSCGKSA-N 359.817 3.253 0 1 FGAF O[C@H]1C[C@H]2[C@@H](c3cccc(Br)c3)Nc3ccccc3[C@H]2[C@H]1O 1857645166 KEERCJLZUFHULC-DEORAPPZSA-N 360.251 3.441 0 1 FGAF COc1ccccc1-c1cc(COc2ccc(F)c(C(N)=O)c2F)on1 1857770159 UKCHWWVQRYEQAG-UHFFFAOYSA-N 360.316 3.306 0 1 FGAF CS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815773 JUSVEWRLNMHNJO-UHFFFAOYSA-N 359.426 3.186 0 1 FGAF Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NCc3ccco3)C(C)C)n2C)o1 4388636 GBCYXBYZCUUYRE-QGZVFWFLSA-N 358.394 3.171 0 3 FGAF CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)NC3CCCCC3)cc21 6893017 JUXXHPAHMOMOQS-LBPRGKRZSA-N 368.524 3.145 0 3 FGAF CCCC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O 26380739 RLVJZZOYJGMPQE-UHFFFAOYSA-N 351.207 3.385 0 1 FGAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(C)c1cccc(NS(C)(=O)=O)c1 102955370 GLTHZFRKDOTZFB-BWTSREIZSA-N 350.528 3.458 0 1 FGAF O=C(O)[C@H](Cc1csc2ccccc12)N1C(=O)c2ccccc2C1=O 103255435 ODJZYFDKMJWFAF-HNNXBMFYSA-N 351.383 3.193 0 1 FGAF Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1 28524390 KETDTKLZMBDRGZ-KRWDZBQOSA-N 354.475 3.481 0 1 FGAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cn1 61897318 HMIFAKCOHCCGTP-KRWDZBQOSA-N 365.364 3.234 0 3 FGAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4C=CN(C2=O)[C@@H]13 2356536409 KBQSMQIJFZDQGF-FCQGJPJTSA-N 350.418 3.210 0 1 FGAF NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)s1 23366897 XGIMYDAEGRLURV-OAHLLOKOSA-N 366.446 3.214 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@@]3(C)C[C@H](O)[C@@H]12 2356574042 KZKYFFVJJQLCMA-NHQNOTCVSA-N 372.505 3.380 0 1 FGAF COC(=O)N1c2ccc(OC)cc2[C@@]23C[C@@]45CCCN4CC[C@]12[C@@H]3CC5 2356785027 RCUHTDKXOOGICH-GFOJFJKKSA-N 354.450 3.310 0 1 FGAF COc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1O 63540067 LNYPORVAHOFKGG-UHFFFAOYSA-N 352.350 3.376 0 1 FGAF CNC(=O)C(=O)NCCCC/C=C/CCCCCCCCCC(=O)O 72108513 WKESFWWKRDQART-SOFGYWHQSA-N 354.491 3.171 0 1 FGAF O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccc(F)cc1 1911575309 PNIOHJAPIAMUST-UHFFFAOYSA-N 352.390 3.401 0 1 FGAF CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4C)C(=O)[C@@H]13)O2 43740438 SBDWZBRKGCELCC-UGNRZPKXSA-N 355.434 3.015 0 1 FGAF COc1ccc2c(=O)c(OC)c(-c3cc(OC)c4c(c3)OCO4)oc2c1 14644470 HZHNYQLMLQAKSH-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic O=C(N[C@H](CO)COCc1ccccc1)c1csc(-c2ccccc2)n1 82074174 WKOBYBAMHWPCNN-QGZVFWFLSA-N 368.458 3.118 0 1 FGAF O[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12 139912311 ULIPMLRTTWVLOT-FQEVSTJZSA-N 353.385 3.421 0 1 FGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1 199940015 YSLKNCZMHYYQRH-UHFFFAOYSA-N 350.831 3.039 0 1 FGAF CCN(CC)c1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 40939151 UBPQNFPZYQUOGL-UHFFFAOYSA-N 353.474 3.024 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)[C@@H]1CC[C@H](C2)N1 96175201 VHNJTFTZTKPJJW-PXAZEXFGSA-N 370.449 3.499 0 1 FGAF COc1cc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1O 98085455 BAHCOLDSFFWEDT-BQYQJAHWSA-N 366.417 3.263 0 1 FGAF CSc1nc(N)c2c(n1)N=C1COC(O)=C1[C@H]2c1cccc(Cl)c1 299850711 IUWUHLNJRHBXHG-SNVBAGLBSA-N 360.826 3.452 0 1 FGAF O=c1cc(-c2ccc3n[nH]cc3c2)nc2[nH]c(-c3ccc(Cl)cc3)nn12 653684279 ZTFBHOQXBJKXSU-UHFFFAOYSA-N 362.780 3.281 0 1 FGAF OCCc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006358 HHBFLWKHXRDPQX-UHFFFAOYSA-N 357.211 3.175 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(SC)ncc41)[C@@H](C2)C3=O 587452304 OCSIXUKXZOGXSA-BUXKBTBVSA-N 354.431 3.186 0 1 FGAF CN(C)CCOc1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1 586879322 LEQZPQOGIRLNFM-YFHOEESVSA-N 351.406 3.268 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806085 JBNHWLKBTACQLC-ZYSBLVPFSA-N 356.235 3.291 0 1 FGAF CCn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587578673 BBFHXSZIAKWCFW-XLIONFOSSA-N 350.374 3.486 0 1 FGAF CCOC(=O)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587794834 HGKQFPOGIHXVGM-BAJKAOOYSA-N 356.235 3.291 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587784494 HWXYRPMKRWLGOW-JKSUJKDBSA-N 363.417 3.208 0 1 FGAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586930784 YGDDTJITVFZVGB-UHFFFAOYSA-N 370.261 3.302 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3C)N1 587761009 SAPKVSRYHFTJFG-DYZYQPBXSA-N 364.262 3.436 0 1 FGAF OCC12CCC(c3nc4c(F)cnc(Br)c4[nH]3)(CC1)CC2 586895236 BDQZFAWDPVAAHS-UHFFFAOYSA-N 354.223 3.444 0 1 FGAF CN(C)CCOc1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587059329 PLILATJVVSBOKE-INIZCTEOSA-N 358.873 3.399 0 1 FGAF COC[C@H](C)[C@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181328 MWYHGIUHQQRTDN-ZXCZTKLOSA-N 365.779 3.455 0 1 FGAF Cc1cc([C@@H]2c3cccc(Br)c3CCN2C)nc(N(C)C)n1 963280095 METNCOGMNKDHQI-INIZCTEOSA-N 361.287 3.191 0 1 FGAF CCC(CC)N1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2)CC1 13561119 BAZDNEOKEXRRJJ-UHFFFAOYSA-N 374.403 3.297 0 1 FGAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)cc1N 29416835 ZFASDVFHFZJVET-UHFFFAOYSA-N 370.766 3.195 0 1 FGAF CCN(CC)C(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206646 LGDIRMAPOMVEOK-HOCLYGCPSA-N 361.482 3.376 0 1 FGAF biogenic CCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28525403 BEOATIXNXFYMJU-UXHICEINSA-N 350.462 3.488 0 1 FGAF CN(C(=O)CCN1CCC(Cc2c[nH]cn2)CC1)c1ccc(Cl)cc1 28566580 HPRMPADQJLLGBH-UHFFFAOYSA-N 360.889 3.371 0 1 FGAF CN(c1ccc(F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118879866 JVOMPNBWQWTVMQ-AWEZNQCLSA-N 371.387 3.393 0 1 FGAF CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1 34600573 JLVZDHKSMGCACD-UHFFFAOYSA-N 368.416 3.472 0 1 FGAF C[C@H](CO)CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 13380862 QZBPWZWWRPDXGM-UYWYVWFRSA-N 370.401 3.292 0 1 FGAF biogenic NC(=O)c1cccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c1 72185078 KHSMTVXJHDGDQQ-LJQANCHMSA-N 372.346 3.484 0 1 FGAF COc1ccc(CS[C@H]2CCCC[C@@]23NC(=S)NC3=S)cc1 45189383 PNXBWBPSEJEXDM-XJKSGUPXSA-N 352.550 3.415 0 1 FGAF CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)C 137513306 REOAFLKDMUDWNA-ZPRZLFMDSA-N 362.466 3.481 0 1 FGAF in-vitro COc1ccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1OC 82204205 JMRLWEKKLBFODX-GASCZTMLSA-N 372.469 3.028 0 1 FGAF COc1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(F)c3)OC2=S)cc1 84596591 KDPUCPTUTQIUCA-ZSOIEALJSA-N 363.341 3.368 0 1 FGAF CCN1C(=O)N([C@@H](C)c2ccccc2)[C@@]2(OC(=O)c3ccccc32)C1=O 84615857 DSJNRBFZOXCSOU-RBZFPXEDSA-N 350.374 3.055 0 1 FGAF Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@@H](C)c3ccccc3)n2)cc1 141585729 MUGCOYMSELXPKL-KRWDZBQOSA-N 361.445 3.438 0 3 FGAF CSc1nn(-c2ccccc2)c2cc(NC(=O)N[C@@H]3CCNC3)ccc12 147341861 ZDOSUEBKHPEOCW-CQSZACIVSA-N 367.478 3.231 0 1 FGAF CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1F 96903288 MZAHRLSUQXJYTB-QGZVFWFLSA-N 359.441 3.381 0 1 FGAF CN1CCN(c2cc(/C=C/c3ccc(O)cc3)[n+](C)c3ccccc23)CC1 299844703 UGQMYJJDKRGRCD-UHFFFAOYSA-O 360.481 3.292 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O 587439681 MIEYDGJCTJPEKI-FHJLPGHOSA-N 363.457 3.424 0 1 FGAF COC(=O)C(C)(C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591713 HIWWERGQVBBDIK-CVEARBPZSA-N 356.374 3.312 0 1 FGAF Cc1cc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c(C)n1 587193219 FWPJLSCRBKNLHF-UHFFFAOYSA-N 352.438 3.094 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cccc(N)c1)[C@@H](C2)C3=O 587433766 WBHONHCFPHVJHV-PGRDOPGGSA-N 358.397 3.364 0 1 FGAF CCOC(=O)C[C@@]1(c2cccc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427987 KXQWBOREKQOGJH-IERDGZPVSA-N 370.376 3.430 0 1 FGAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437746 JQCCOYJELPBTMY-XCLFUZPHSA-N 355.390 3.255 0 1 FGAF CCOC(=O)C[C@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587400270 PWFZKWZEUPGHIH-NRFANRHFSA-N 369.417 3.400 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)nccc2[nH]1 587040077 ZJTZHCJMCOUGLW-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF Oc1nncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081538 POMVVNKPALEMMI-UHFFFAOYSA-N 363.768 3.089 0 1 FGAF Cc1nc2[nH]c(-c3cccc(NC(N)=O)c3C)nc2cc1Br 587240211 RIIROSMUQMWQJH-UHFFFAOYSA-N 360.215 3.495 0 1 FGAF C[C@@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587157347 SSMTUNKQIUFQIH-AEFFLSMTSA-N 353.357 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCOC[C@H]1OCc1ccccc1)[C@@H](C2)C3=O 587456211 SZEPFVHSJCKDCZ-KPLVRAHFSA-N 366.413 3.187 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(CCOC(C)(C)C1)NCC21CCOCC1 963193886 VWFSRMRDJBBBJN-NRFANRHFSA-N 361.482 3.140 0 1 FGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3nccc-3c2)N1 962983038 YOLBOXNSFFCLFQ-SWLSCSKDSA-N 363.751 3.134 0 1 FGAF Cc1c(O)ccc2c1[C@@](C)(c1ccc(-n3cccc3)cc1)N[C@H](C(=O)O)C2 963526277 OGUIXXVSYGWFSC-PGRDOPGGSA-N 362.429 3.354 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1CN1Cc1ccnc2ccccc12 169328786 CGPWNJUUKBGYCH-GLLGCSJKSA-N 362.355 3.250 0 1 FGAF CCNc1cccnc1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 587537 LCTZLFGIAGHKPV-UHFFFAOYSA-N 367.428 3.096 0 1 FGAF COc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2c1 3047801 MWPJZGUXHDWJNJ-MRXNPFEDSA-N 364.449 3.104 0 1 FGAF CCCc1cc(O)n2nc(NCc3ccc(Br)cc3)nc2n1 6752700 XDLBGJZTDINXJB-UHFFFAOYSA-N 362.231 3.157 0 1 FGAF in-vitro COc1cc(O)c(C=CC(C)C)c2c1C(=O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 2356782239 DGBPCJYIKYLCQB-UXHICEINSA-N 370.401 3.453 0 1 FGAF CC1CCC(N2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)CC1 2112096 BLDOECXYWPHHKV-BYHBIXDJSA-N 365.477 3.189 0 1 FGAF biogenic COc1ccc(CC(C)(C)NC[C@H](O)COc2ccccc2OC)cc1 143437093 ZULQCRYBRSSOTG-KRWDZBQOSA-N 359.466 3.054 0 1 FGAF CCc1ccc2c(c1)[C@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 140423528 QRYHDRUOOQPWFE-ZHRRBRCNSA-N 358.526 3.226 0 1 FGAF C[C@H]1S[C@@H](c2ccc(S(C)(=O)=O)cc2)N(Cc2ccccc2)C1=O 98084297 NLQDMVIWLORNET-ACJLOTCBSA-N 361.488 3.253 0 1 FGAF O=C(Cn1c(=O)sc2ccc(Cl)cc21)Nc1ccc(C(=O)O)cc1 473109390 RHHHPTFTBKCDFL-UHFFFAOYSA-N 362.794 3.053 0 1 FGAF O=C(O)C[C@H]1COc2cc(OCc3nnc(-c4ccccc4)o3)ccc21 653737643 NSKNYZRPMLHCIY-ZDUSSCGKSA-N 352.346 3.266 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2cccs2)N1 587847492 KWVBOSKATZLYAW-VFZGTOFNSA-N 355.276 3.386 0 1 FGAF O=C1CSC[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)N1 587044575 ZCWZYAIZNCIUGC-MRVPVSSYSA-N 351.737 3.019 0 1 FGAF COCCc1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449604 FZNUOPLMLGPMJO-BFUOFWGJSA-N 359.447 3.312 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccnc3[nH]2)cc1 587040263 MIPHAXGQGCXJLW-OAHLLOKOSA-N 354.435 3.244 0 1 FGAF CC(C)(CC(=O)O)Cc1nc2ccc(I)cc2[nH]1 587956138 VPOXEMGRJKLEMY-UHFFFAOYSA-N 358.179 3.211 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587175150 QGTVJFNOEBAYGF-SUMWQHHRSA-N 352.373 3.150 0 1 FGAF COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587787987 UJMZHICBYJRZME-UHFFFAOYSA-N 365.389 3.026 0 1 FGAF COC(=O)[C@@H]1C=C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587810221 UDROWZPBOCRPIZ-ZYSBLVPFSA-N 354.219 3.067 0 1 FGAF CS(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 586877917 WNEKIFZHEVNWDO-UHFFFAOYSA-N 368.458 3.396 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CN(C)C(=O)OC(C)(C)C 587650756 SQRDVVJFLXWZKU-UHFFFAOYSA-N 352.456 3.247 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/N2CCOCC2)N1 587769429 BAOWWIXFFGSALP-ASTIABHMSA-N 369.278 3.184 0 1 FGAF Cn1c(-c2ccc3c(O)nc(O)nc3n2)nc2cc(C(F)(F)F)ccc21 587368298 MUHFPSFMZMXYMR-UHFFFAOYSA-N 361.283 3.009 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1cnn(C)c1)[C@@H](C2)C3=O 587427106 GXGOXCHDJLGMGS-UWJYYQICSA-N 364.376 3.259 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587816722 CANJKVSBYJNDPT-SZQIBGDISA-N 368.246 3.276 0 1 FGAF C[C@@]1(c2ccc(O)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675171 WXSVSOGTTXTZTK-YADHBBJMSA-N 362.429 3.303 0 1 FGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 962949079 PCZXFJXRTLAUKR-NFIASVRASA-N 366.461 3.377 0 1 FGAF Cn1cc(CN2CC[C@@]3(CCCN(CCCc4ccccc4)C3)C2)cn1 12744903 GHCLLLIAOGNQSC-JOCHJYFZSA-N 352.526 3.341 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=N[C@H]3CCCC[C@@H]3NC(=O)C2)cc1 13743139 GNUCRCVOUVVVDU-ROUUACIJSA-N 373.460 3.349 0 1 FGAF C[C@@H](c1nc2ccccc2s1)n1nc(CC(=O)O)c2ccccc2c1=O 13860810 SKVOATMZMPVYBN-NSHDSACASA-N 365.414 3.243 0 1 FGAF CNc1nc(Nc2cc(OC)c(C(=O)N(C)C)cc2Cl)ncc1Cl 169705083 ZEKIDXFZWWVVSW-UHFFFAOYSA-N 370.240 3.279 0 1 FGAF COc1cccc(-c2nc(SCC(=O)O)n[nH]2)c1OCc1ccccc1 205426657 IDCUDRHZKBHLLK-UHFFFAOYSA-N 371.418 3.236 0 1 FGAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cccnc4)CC3)CC2)nc1 100052827 SIDPGTZGVQNXLM-KDURUIRLSA-N 366.513 3.055 0 1 FGAF CN1C(=O)[C@@H]2CCCCN2C(=O)c2sc(Sc3ccccc3)nc21 1857601590 RNNUKAXQNGMZMG-LBPRGKRZSA-N 359.476 3.265 0 1 FGAF C[C@H](O)[C@@H](CCc1cccc(-c2ccccn2)c1)n1cnc2c(N)ncnc21 1857761646 QJEYEFSOLHHNOG-KBXCAEBGSA-N 374.448 3.025 0 1 FGAF OC1(c2cn(C3CCN(c4nc5ccccc5o4)CC3)nn2)CCCC1 23153257 HIJNGOQOHSVLNK-UHFFFAOYSA-N 353.426 3.022 0 1 FGAF C[C@@H](Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1 28359573 ODVVVIWEQKZUKS-CYBMUJFWSA-N 352.417 3.421 0 1 FGAF Nc1nc(N)c2cc(CN3c4ccccc4C=C[C@@H]4C=CC=C[C@@H]43)cnc2n1 64468971 GLHUKNIVNLLYHN-YJBOKZPZSA-N 368.444 3.333 0 1 FGAF COc1cc(-c2nnc([S@](=O)Cc3ccccc3)o2)cc(OC)c1OC 29123294 FTDSMBQLYJYSRY-SANMLTNESA-N 374.418 3.070 0 1 FGAF CC(=O)NCCC[C@H]1OC[C@@H](Oc2ccc(OC3CCCC3)cc2)CO1 116486526 LKVHUUGGRUJFML-MXVIHJGJSA-N 363.454 3.045 0 1 FGAF c1ccc2c(c1)nnn2Cc1nc2ccccc2n1CCN1CCCCC1 26260941 YUTIJTNWPHCHDH-UHFFFAOYSA-N 360.465 3.315 0 1 FGAF C[C@@H](C(=O)[C@@H](C)c1cccc(Oc2ccccc2)c1)C(=O)N1CC[C@H](O)C1 38208914 OIMXBOSCSZXRHQ-BQFCYCMXSA-N 367.445 3.381 0 1 FGAF COc1cccc(C2=N[C@](C)(CC(=O)N(C)Cc3ccccc3)ON2C)c1 74374276 UCZQYCXYKIEJPX-NRFANRHFSA-N 367.449 3.084 0 3 FGAF COC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1 73197918 FQJZWXRBDFNVOX-UHFFFAOYSA-N 366.421 3.154 0 1 FGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3 14639522 WHOVKGFICRPUBN-AWEZNQCLSA-N 371.433 3.179 0 1 FGAF biogenic c1cc2c(c(OC3CCN(c4ccc(-n5ccnc5)nn4)CC3)c1)CCC2 45351878 NMIQYJLELWWMIH-UHFFFAOYSA-N 361.449 3.199 0 1 FGAF COC(=O)c1c(OC)cc(C)cc1Oc1c(CO)cc(OC)cc1OC 40872550 JLUFDXUQBHZTSK-UHFFFAOYSA-N 362.378 3.092 0 1 FGAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95877324 UOXJBICYQMZMNX-ZLNRFVROSA-N 364.489 3.125 0 1 FGAF Cc1ccc(C(F)(F)F)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O 142975856 BOOUSDCCWQVKID-UHFFFAOYSA-N 361.327 3.147 0 1 FGAF COc1cc2nncc(N3C[C@H](O)C[C@H](c4ccccc4)C3)c2cc1OC 474610029 ZGKBJLWRRKIBCP-JKSUJKDBSA-N 365.433 3.002 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(OC)c(F)cc3[nH]2)c1Br 586980403 XIOSRJNJJXVIJM-UHFFFAOYSA-N 355.167 3.262 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)(c1nccn1C)O2 587385188 MQQCGPDDCGKYPT-HXUWFJFHSA-N 351.381 3.359 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c4nc(O)ccc14)[C@@H](C2)C3=O 587435917 KFSUKCUFGYZWHT-QKKBWIMNSA-N 363.369 3.317 0 1 FGAF C[C@]1([C@@H]2CCCNC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352286 WJVKDIFZLHZQBC-PLMTUMEDSA-N 369.392 3.175 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(Br)c1 587368961 YEXKQTXWSFCTLQ-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF CN(C)c1ncccc1-c1nc2cc(I)ccc2[nH]1 587196497 XRWVSIAGRHUTCS-UHFFFAOYSA-N 364.190 3.296 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCc3c1ccc(OC)c3N)N(C)[C@@H](C)C2 962619812 HEZYDOZLKIZEFZ-WHEQGISXSA-N 368.477 3.361 0 1 FGAF CC1(C)C(=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 1772577068 OJTDRFXIVHDTOA-VCPKPJSLSA-N 362.510 3.135 0 1 FGAF COc1ccc(CCN(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 14589739 CMJJLLFJMKGGOF-XYOKQWHBSA-N 355.434 3.427 0 1 FGAF Cc1c(C(=O)N2CC[C@@H](C)C[C@@H]2C)cnn1-c1nc(O)c2sccc2n1 1857579743 LKZLOYKECHFHIY-MNOVXSKESA-N 371.466 3.152 0 1 FGAF Cn1c2c(c3ccccc31)CCN1C(=O)CN(C(=O)C3CCCCC3)C[C@@H]21 1644404 RRKMTAZPIGDTTH-IBGZPJMESA-N 365.477 3.027 0 1 FGAF O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(Cl)cc4)nn3)ccc2O1 103241885 MWAQJYJKUFFEPZ-UHFFFAOYSA-N 359.794 3.281 0 1 FGAF CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H](O)[C@@H]1N2C 100837662 WPSZKOIIDITBPV-MOEWQIFZSA-N 358.265 3.094 0 1 FGAF COCOc1ccc(-c2ncc(OC)nc2NC(=O)c2ccsc2)cc1 61905667 FOGFKWLHPOYHDV-UHFFFAOYSA-N 371.418 3.449 0 3 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 29233320 XNCWDLBBWYSKHK-YTWQNYLRSA-N 367.489 3.206 0 1 FGAF CC[C@H](C)C(=O)OC[C@H]1O[C@@H]1c1ccc(OC(=O)C(C)C)c(OC)c1 15156632 PSKGEGCPRNMROV-JCURWCKSSA-N 350.411 3.286 0 1 FGAF biogenic Cc1cc(C(=O)N2CCN(C)CC2)ccc1[C@H](CO)c1cccc(Cl)c1 40934830 WYOFDRJSNCFHDU-HXUWFJFHSA-N 372.896 3.160 0 1 FGAF O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2cccc(F)c12 49033839 JKIQJNZUUPEZKI-CYBMUJFWSA-N 362.401 3.287 0 1 FGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1ccccc1 49036854 PHPQEIFINWDHDD-HZPDHXFCSA-N 367.836 3.123 0 1 FGAF COCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccco2)n1 82142126 UNNTVLJCTZWUPI-HIFRSBDPSA-N 358.442 3.103 0 1 FGAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@](O)(OC(C)=O)C1)[C@@H]32 238742370 FKGZSHKJEFLYLN-HKBOAZHASA-N 352.434 3.076 0 1 FGAF CCOP(=O)(OCC)c1ccccc1OC[P@@](=O)(O)OCC 68592307 CFATVXBTQCJQJF-UHFFFAOYSA-N 352.260 3.136 0 1 FGAF biogenic O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1 299819665 BBLXIBKDDPPJBC-UHFFFAOYSA-N 362.433 3.461 0 1 FGAF CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1 653845438 CZRZPVLQPNBJGL-UHFFFAOYSA-N 359.426 3.433 0 1 FGAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763310 JETVMDVCZCUGTJ-JDNHERCYSA-N 352.251 3.428 0 1 FGAF NNc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660607 QHMJJRLBJQSHOG-UHFFFAOYSA-N 374.375 3.177 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1 587124031 KPYSTPUYFDZLHU-WPPNPWJKSA-N 365.315 3.463 0 1 FGAF COC(=O)Nc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cn1 587245818 YVGUMYCDAARQBP-UHFFFAOYSA-N 360.757 3.243 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CC(=O)O)N1 587751868 BFONJCAEPAGKDY-ABKXIKBNSA-N 367.218 3.098 0 1 FGAF CCOC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586925136 WANSGBYEQDKOSS-ZHACJKMWSA-N 356.403 3.184 0 1 FGAF CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](OC)C1 587517259 KANIGDMVOZMLMV-WIYYLYMNSA-N 373.449 3.147 0 1 FGAF CN1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586844 KDDRCPOSQUHVOL-SUNYJGFJSA-N 351.402 3.349 0 1 FGAF C[C@]1([C@@]2(Cl)CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541869 GKQUQEQMEDZIQI-ZOCIIQOWSA-N 374.776 3.037 0 1 FGAF CCN1C(NCC(C)C)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C 169355684 IFSYXAWGAODQOG-UHOSZYNNSA-N 359.514 3.103 0 1 FGAF O=C1N=C2/C(=C/c3ccccc3F)CNC[C@H]2[C@H](c2ccccc2F)N1 169730018 BFTGTSCUZOSWSA-MHMDMGHGSA-N 353.372 3.473 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccnc4)ncc23)ccn1 205439037 WOBNBTMSECOXTK-UHFFFAOYSA-N 359.393 3.045 0 1 FGAF O=C(C1CCN(c2cnccc2-c2ccccn2)CC1)N1CCC(F)(F)C1 1857575974 QWHCAGHXNBZCPV-UHFFFAOYSA-N 372.419 3.228 0 1 FGAF CN(C)c1cccc(-c2cnc3cnc(-c4cccc(C(N)=O)c4)cn23)c1 1857580485 ODJXKJOCKOFGDS-UHFFFAOYSA-N 357.417 3.228 0 1 FGAF C/C=C/CCC(=O)O[C@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 1857603110 UEQFUKYSYIDACR-GVTAMQEQSA-N 358.434 3.359 0 1 FGAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC3)[nH]2)c1 835055 XAJQNKDFXICIIO-UHFFFAOYSA-N 362.495 3.470 0 1 FGAF Brc1cccc([C@H]2C=C(c3cccnc3)Nc3ncnn32)c1 104119233 CYJOBLMFDFJRIK-OAHLLOKOSA-N 354.211 3.492 0 1 FGAF O=C(O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117621973 VYOVVIHUSBRLIU-BEFAXECRSA-N 361.401 3.206 0 1 FGAF O=C(NCc1ccccc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356476659 MSKLGFNZSBYWME-QGZVFWFLSA-N 369.396 3.266 0 1 FGAF CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(NC(C)=O)c3c2)cc1 63298504 IMMZLRQJNZSTTE-UHFFFAOYSA-N 372.450 3.340 0 1 FGAF CC(C)(C)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)[C@](C)(CCO)[C@H](O)O1 2356511174 AJDVYSWVSCNGQG-CUSZFKRNSA-N 362.583 3.226 0 1 FGAF O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28230170 VIQNCYCJEMLHSV-MPXGXIRNSA-N 367.442 3.394 0 1 FGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](O)Cc3c(cc4occc4c3C)[C@@]12C 2356629692 NJHFGWBKMCKISA-KRXUUXHPSA-N 372.461 3.399 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1[C@@H](O)C=C2C1=CC(=O)OC1 118937397 LOUCJBIZSPLEFL-GORHATKSSA-N 372.505 3.380 0 1 FGAF endogenous,in-man CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(C)(C)C 29216590 ONDKADWCOCSIHU-AEFFLSMTSA-N 350.528 3.056 0 1 FGAF CN(Cc1cncn1C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64497562 YBYXSLBFYFHETJ-UHFFFAOYSA-N 373.416 3.395 0 1 FGAF COc1cccc(NC(=O)C2CCN(c3ncnc4[nH]cc(C)c34)CC2)c1 45300087 JMAQIAGPIUIAPQ-UHFFFAOYSA-N 365.437 3.130 0 1 FGAF CN(Cc1ncc2ccccc2c1CNC(=N)N)[C@H]1CCCc2cccnc21 49089547 NEVBPXSFTBVDKA-FQEVSTJZSA-N 374.492 3.122 0 1 FGAF CCNc1nc(NCCCN(CC)CC)nc2cc(OC)c(OC)cc12 82131636 OIENPIBFXVRUNF-UHFFFAOYSA-N 361.490 3.223 0 1 FGAF Fc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1 96168797 QDAMIGCENPOWFE-UHFFFAOYSA-N 373.391 3.494 0 1 FGAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2cccc(F)c2)c2cccnc12 143747615 ZNXXSMJRZWAOMG-BEFAXECRSA-N 364.424 3.030 0 1 FGAF NC1=N[C@@]2(CO1)c1cc(-c3cc(Cl)cnc3F)ccc1OCC21CC1 149321809 YLFDDYWNYJPIAU-SFHVURJKSA-N 359.788 3.254 0 1 FGAF COc1cc2c(cc1OC)[C@@]1(Cc3ccccc3)OC(C)=CC(=O)N1CC2 96933710 GFMIFFFJFXRFMG-JOCHJYFZSA-N 365.429 3.418 0 1 FGAF C/C(C[C@H]1OC(=O)C2=CCCC(=O)[C@@]21C)=C1\C[C@H](c2ccoc2)OC1=O 238774724 YSMKTAQFAWMSRW-FQFNWBQDSA-N 356.374 3.195 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]ccnc1-2 587590177 RRYJAIXGPWOZOX-KXBFYZLASA-N 359.341 3.318 0 1 FGAF COc1cc2c3c(c1)OC1(CC4(CCN4C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587442399 JJJHQFAFKHZBSS-YJPTXTSQSA-N 371.433 3.355 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)n2cncn2)N1 587760784 QQSQIMUDAQQBQH-FCHSOHFDSA-N 353.239 3.190 0 1 FGAF Cn1nnc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1C(F)F 587127861 AZHZRYYWPDDCDJ-UHFFFAOYSA-N 363.553 3.107 0 1 FGAF CCCc1nc(-c2nc3cc(CCO)ccc3[nH]2)nn1-c1ccccc1F 587155237 BXORNLMJEMKXLG-UHFFFAOYSA-N 365.412 3.437 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(C)c2)(C(F)F)N1 587719373 QKMYTXXRTMIWPP-AYVTZFPOSA-N 374.204 3.365 0 1 FGAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586930694 VVSSGAZOVJYKRH-UHFFFAOYSA-N 370.261 3.302 0 1 FGAF COc1ccsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276156 LLFIFBPAXNORCF-UHFFFAOYSA-N 368.208 3.384 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790540 INPVUQQESJCIFR-GLEZIHRCSA-N 367.218 3.327 0 1 FGAF Fc1cc(F)cc([C@]2(c3ccccn3)NCCc3nc4ccccn4c32)c1 962982677 JEFOYBPPGDLARO-OAQYLSRUSA-N 362.383 3.445 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1c(OC)cc(O)cc1OC)N(C)[C@@H](C)C2 962627171 KWJCORIXOPXSJQ-LAJNKCICSA-N 373.449 3.392 0 1 FGAF CCN(CC)c1ccc2cc(-c3nc(CC(=O)OC)cs3)c(=O)oc2c1 1772581140 KXUHDMCLDKCVTC-UHFFFAOYSA-N 372.446 3.478 0 1 FGAF Cn1ccc2ncn(CC(=O)Nc3ccc(-c4ccsc4)cc3)c2c1=O 1772580678 WLKRDACBCPCJHN-UHFFFAOYSA-N 364.430 3.102 0 1 FGAF COc1ccc(C(=O)N(OCc2ccccc2Cl)[C@H](C)C(=O)O)cc1 1772634627 MUVMHVKVZRMZFV-GFCCVEGCSA-N 363.797 3.396 0 1 FGAF Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccco3)C2)n1 12880935 UPGSNVHJRSGDKA-RHSMWYFYSA-N 356.470 3.040 0 3 FGAF Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2Cl)c(C)c1 13343058 KKVDGTLONVNXJR-OAHLLOKOSA-N 367.854 3.451 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H](CO)[C@H](CO)CCCCCCC(=O)OC 169318076 OBFQFOMLAWYXGC-SNLJXXQOSA-N 358.519 3.214 0 1 FGAF CN1CCC[C@H]1CCOCC1CCN(c2ncnc3sccc23)CC1 205802266 GRJXNQIZQDSQPC-INIZCTEOSA-N 360.527 3.409 0 1 FGAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1CCC3 113204512 URKPFPJAAKUQDX-NSHDSACASA-N 356.397 3.479 0 1 FGAF CC1(C)O[C@@H]2Oc3ccc4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccccc1)CC4=O 2356398791 CHMTWRQIIYWNMW-QOJCHSLYSA-N 352.386 3.365 0 1 FGAF Cc1cc(N)c2cc(NC(=O)c3ccc(N4CCOCC4)cc3)ccc2n1 103237085 SWDOCRRVPCGTPK-UHFFFAOYSA-N 362.433 3.214 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccsc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632475 IAZXBSIMCBQTFJ-NHYWBVRUSA-N 358.488 3.422 0 1 FGAF CNC(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26175114 STHAVDWMQMIUEL-FQEVSTJZSA-N 365.433 3.118 0 1 FGAF O=C(Nc1cccnc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097184 FMVMMLXXPZFCBC-VQFNDLOPSA-N 371.462 3.083 0 1 FGAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61904684 DOGWHPFTAKLUSX-MRXNPFEDSA-N 359.344 3.391 0 3 FGAF COc1ccc(C(=O)N2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)cc1 2356316324 WNDQHRYADHQENV-MAUKXSAKSA-N 370.380 3.216 0 1 FGAF O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F 73280962 JIFGOPCFXJIPNK-GOSISDBHSA-N 350.393 3.221 0 1 FGAF COC(=O)c1cn2ncnc(Nc3ccc(C(F)(F)F)c(O)c3)c2c1C 28131300 CUUDGRBWRUABBZ-UHFFFAOYSA-N 366.299 3.292 0 1 FGAF CCCC(=O)N1CCC[C@@H](c2cc(C(=O)NCc3ccc(F)cc3)no2)C1 61907692 FTAUOHUQVJBLPY-OAHLLOKOSA-N 373.428 3.250 0 3 FGAF O=C(OCCCc1cc2ccccc2c(=O)o1)c1ccc2c(c1)OCO2 36388803 PLYCSNKNIPVBPG-UHFFFAOYSA-N 352.342 3.311 0 3 FGAF CC(C)C(=O)c1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2 45317507 MCTKCEDVKWXXGJ-UHFFFAOYSA-N 372.226 3.094 0 1 FGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2ccccc2)cc1 199934040 VLGYLZRUXSJILP-UHFFFAOYSA-N 370.478 3.450 0 1 FGAF Fc1cccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1 82067353 YNAWRASVMOQDMS-UHFFFAOYSA-N 351.385 3.130 0 1 FGAF NC(=O)CO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40575856 VSUSFMIDMQEMIQ-HSZRJFAPSA-N 372.424 3.046 0 1 FGAF CCCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc(C)c2)n1 82145079 OLYRHXPQFVSHEG-UHFFFAOYSA-N 354.454 3.136 0 1 FGAF CO[C@H](C)c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12 84742106 CTFINRCUYZLLMP-CYBMUJFWSA-N 350.422 3.304 0 1 FGAF COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3Cc2ccccc2)cc1 40395405 TZVJOPQQTYXFME-PZJWPPBQSA-N 350.462 3.113 0 1 FGAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(F)cc2)C(=O)O)cc1OC 95586631 TZQWPXGVRUMLJY-WGLAMXGCSA-N 374.364 3.095 0 1 FGAF CN1N=C[C@@H]2C(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)=CC=C[C@@H]21 299835446 WAIPIFZBMQMMTA-OIISXLGYSA-N 370.428 3.097 0 1 FGAF C[C@H](c1ccc2nc(O)sc2c1)c1ccn(-c2ccc(CCO)cn2)n1 653861769 NLLJBKWGHPARPW-GFCCVEGCSA-N 366.446 3.269 0 1 FGAF COC(=O)[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403120 JXPKSHNUPFCHMG-ASSNKEHSSA-N 369.417 3.256 0 1 FGAF COc1cc(OC)c2c(c1)OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587411473 JNXAMCIJVPIBHQ-HXUWFJFHSA-N 355.390 3.238 0 1 FGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnccc3[nH]2)cc1 587041583 ZIXYUJROAYRDJO-INIZCTEOSA-N 354.435 3.244 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1C[C@H]1C(=O)O)[C@@H](C2)C3=O 587453395 YWQAACFKJICFJE-FAPUVCABSA-N 350.370 3.059 0 1 FGAF COC(=O)[C@@H](C)[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514742 JPPQYMQHHCIINK-LRTDBIEQSA-N 366.417 3.025 0 1 FGAF CCOC(=O)[C@@H](NC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104929 XIRFMQXTLJAJTL-FQEVSTJZSA-N 374.396 3.187 0 1 FGAF CCCCc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587561031 MFTXRICZSCNXDY-UHFFFAOYSA-N 367.405 3.463 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C(=O)C13CC3)O2 587393003 FHMPPLDUEFUEDD-JOCHJYFZSA-N 362.429 3.104 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]3(NCCc4ccc(O)cc43)[C@H]2C1 963351786 IUAGCTPVGUYYJU-XERREHJYSA-N 358.482 3.400 0 1 FGAF COC(=O)[C@@H]1CC(OC)=C[C@]12c1ccsc1CCN2Cc1ccco1 962703317 GCYQGWQEDFBYKZ-LPHOPBHVSA-N 359.447 3.318 0 1 FGAF CCC12CN3CCN(CC(C3)[C@@]13NCCc1cccc(-c4ccccc4)c13)C2 962662696 FVDSTOYGQOJRAE-MTQWGCILSA-N 373.544 3.352 0 1 FGAF O=C([C@H]1Cc2ccccc2[C@@]2(CCOc3c(F)cccc32)N1)C(F)(F)F 962729100 GRZQDIDAVUNHIT-CRAIPNDOSA-N 365.326 3.498 0 1 FGAF C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CCSC(N)=N1 200720453 DILGPRAZNUBLGP-KRWDZBQOSA-N 362.405 3.279 0 1 FGAF COc1cc2[nH]c(=O)nc(-c3cc(Cl)ccc3F)c2c(OC)c1OC 208125875 NDVGWMSKKGQBDA-UHFFFAOYSA-N 364.760 3.408 0 1 FGAF O=C1c2cc(F)ccc2OC2(CCNCC2)[C@@]12CC(c1ccccc1)=NO2 13660429 FSXVDMYYLNBNFE-OAQYLSRUSA-N 366.392 3.086 0 3 FGAF Cn1/c(=N\N/C=C/c2sc3ccc(F)cc3[n+]2C)sc2ccccc21 169323936 QQZCIKDAMYEDIN-DYTRJAOYSA-O 371.486 3.494 0 1 FGAF CCCCC[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622151 QJADFBZNTPJMDY-UWFJTOKYSA-N 352.471 3.251 0 1 FGAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2cccc3cc[nH]c23)[nH]1 1857539106 BWEGQEGBOGDKLQ-UHFFFAOYSA-N 354.801 3.178 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2cc(F)ccc2F)nc2ccccn12 1857580645 NLRLTCPMKFWOLM-UHFFFAOYSA-N 372.375 3.395 0 1 FGAF CCOC(=O)C1CCN(C(=O)c2cc3cc(F)c(Cl)cc3[nH]2)CC1 1857649946 PIMIJXSLMDKDIV-UHFFFAOYSA-N 352.793 3.376 0 1 FGAF O=c1c(Nc2ccccc2O)c(Nc2ccccc2Br)c1=O 3955381 ZZXNCHAPCVRYFY-UHFFFAOYSA-N 359.179 3.238 0 1 FGAF CCc1cc(N2CCc3n[nH]c(C4CCC4)c3C2)nc(N2CCCC2)n1 23311057 MAZRAZJGJZWZSQ-UHFFFAOYSA-N 352.486 3.193 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@@H]3CN4C[C@@H](C)[C@@H](CC[C@@]31CO)[C@H]42 28969661 QXIYBJSJMAMZDQ-BVWJVYMTSA-N 373.537 3.395 0 1 FGAF O=C(NCc1ccncc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61926196 SHLHAHMHJHYNAE-GOSISDBHSA-N 365.820 3.417 0 3 FGAF COC(=O)CCC(=O)c1cnc2c(c1)[C@@]13C[C@@H](C)C[C@@H](C2)[C@@H]1CCCN3 2356467056 AYWQLULMTJAHKZ-DSETUZSISA-N 356.466 3.015 0 1 FGAF CO[C@@H]1CC[C@@H]2c3ccc4cc5c(cc4c3N(C)C(=O)[C@H]2[C@H]1OC)OCO5 2356489442 YFMBMEFXASAJQX-PDOJLQJOSA-N 369.417 3.069 0 1 FGAF COc1cc2c(cc1OC)-c1c(OC)c(O)c(OC)c3c1[C@H](C2)N(C)CC3 2356544606 VLTJEKYYMZWBER-AWEZNQCLSA-N 371.433 3.179 0 1 FGAF CCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(Cl)cc1 28220199 XRIHXUYKZGXHML-KRWDZBQOSA-N 357.885 3.465 0 1 FGAF CC(=O)OCC=C(C)C[C@H]1C=C(CCC=C(C)COC(C)=O)C(=O)O1 2356765179 YSAVITUVNGFNPS-SFHVURJKSA-N 350.411 3.027 0 1 FGAF C/C(=C\C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 28523784 BHMFKHWVYBKHMM-PDDXGAPOSA-N 361.489 3.307 0 1 FGAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](O)C(=O)O)CC[C@@H]12 211153485 MBFXNYXLPHWLJQ-DVQAUUHXSA-N 350.499 3.452 0 1 FGAF O=C1OCc2c1cc1cc3c(cc1c2-c1cc2c(cc1O)OCO2)OCO3 14640879 JCWQWSIDLBXTTP-UHFFFAOYSA-N 364.309 3.340 0 1 FGAF biogenic COc1ccc(C)c2c1N[C@](C)([C@@]1(C)Nc3c(O)ccc(C)c3C1=O)C2=O 14649918 UKGKNTJQIKSVFU-SFTDATJTSA-N 366.417 3.452 0 1 FGAF biogenic COc1cc2oc(=O)cc(-c3ccc4c(c3)CCO4)c2c(OC)c1OC 40917874 OHGGXMNCIVPENY-UHFFFAOYSA-N 354.358 3.421 0 1 FGAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CC[C@@H]1CCCN1C 82186111 ZZKXVHRNSPQEII-INIZCTEOSA-N 356.518 3.331 0 1 FGAF CCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1 82136214 VBSAVFSINCGLPL-UHFFFAOYSA-N 360.433 3.261 0 1 FGAF Cc1nc(-c2ccccn2)nc(N[C@@H](Cc2ccccc2)C(N)=O)c1Cl 96908097 SELSGPMCFPHSDG-HNNXBMFYSA-N 367.840 3.009 0 1 FGAF CC/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 238752574 WQPOYRBZCATNLX-LKERXJEMSA-N 364.482 3.046 0 1 FGAF COc1cc(C(=O)[C@H](C)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 238779467 YQGZZYIKOLQXAZ-SNVBAGLBSA-N 362.378 3.119 0 1 FGAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 25410513 MKSZKPPEUSZZDQ-ZWKOTPCHSA-N 371.481 3.272 0 1 FGAF biogenic Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)nc1 653838530 QHFARHMNQQPRAU-UHFFFAOYSA-N 367.434 3.082 0 1 FGAF COc1cc2c3c(c1)OC1(CC(C)(NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587431872 IGUVZISTNPZYLB-LJLKPOLSSA-N 359.422 3.259 0 1 FGAF Cc1cc(Br)ccc1OCc1nc2ccc(C(=N)N)cc2[nH]1 586982064 ZNZXWDKZVDJHDF-UHFFFAOYSA-N 359.227 3.497 0 1 FGAF COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587638701 TXTCOTRWXMACNT-UHFFFAOYSA-N 352.346 3.213 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085733 DRFMAEGFSNBKNB-UHFFFAOYSA-N 358.810 3.079 0 1 FGAF CCc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582797 RCIXXDHDVIAPKU-PXNSSMCTSA-N 350.374 3.391 0 1 FGAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617811 QZAUDCXWSLXBPH-QAPCUYQASA-N 352.298 3.386 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1 587251338 DFMMPKRBAFNJIS-GHXNOFRVSA-N 370.478 3.346 0 1 FGAF CC(C)Oc1cc2nc(C3(O)CCOCC3)[nH]c2cc1Br 586913192 JMMGNMNVSVIWHH-UHFFFAOYSA-N 355.232 3.111 0 1 FGAF COc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774484 VQQMQHXOAIFWTH-AYVTZFPOSA-N 352.207 3.010 0 1 FGAF CC(=O)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O 587402479 DNVVSELNXGWEER-SFHVURJKSA-N 369.373 3.134 0 1 FGAF C[C@@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175067 VUBLWRWLSUYCBN-SFHVURJKSA-N 358.300 3.168 0 1 FGAF Cc1ccc(-c2noc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587652542 UMXCNXBFSWWVKE-UHFFFAOYSA-N 366.764 3.097 0 1 FGAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587382900 UGBUKIURQPGAMG-PIGZYNQJSA-N 353.365 3.280 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cn(C)nc1C)CC2=O 587477759 URRNCTAFUCTJHP-ZJVMWOEPSA-N 369.465 3.323 0 1 FGAF CCOCc1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)o1 586903340 OOYRYIDFAKDTJK-UHFFFAOYSA-N 352.394 3.115 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)c(F)c1)O2 587384785 ISWXZQIIMGZHLI-OAQYLSRUSA-N 370.424 3.434 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COCc3[nH]ccc32)N1 587803330 PBUJSICNTDSERZ-XXFAHNHDSA-N 351.219 3.224 0 1 FGAF CC[C@@]1(c2cc(C(=O)O)ccc2F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024830 MENSVDKEYDRLLC-LRTDBIEQSA-N 368.408 3.231 0 1 FGAF C/C(=C\Cc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4)CO 13380852 WTAGIHGECXTWAX-SSRGZOLDSA-N 368.385 3.212 0 1 FGAF CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820213 NEHJXQPQNFMIKM-IHPCNDPISA-N 362.539 3.200 0 1 FGAF c1cc(-c2ccc3ncc(-c4ccncc4)n3n2)cc(N2CCOCC2)c1 169306625 JRXCUPGVXITRLP-UHFFFAOYSA-N 357.417 3.295 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(F)c(C)n3)C2)cc1 169709273 AFGDTXVXFNMQNJ-UGSOOPFHSA-N 357.429 3.384 0 1 FGAF O=C(NCCn1cccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167014387 FSHWOTZPLJFQEW-UHFFFAOYSA-N 374.444 3.466 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2cccc(C)c2)nc2ccccn12 1857616457 DJWYMJHCHUUFKO-UHFFFAOYSA-N 350.422 3.425 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CC1)C(=O)N2CCN(C)C 1857632894 XNFFVEBJMATENH-LJQANCHMSA-N 369.465 3.414 0 1 FGAF COc1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2111560 QNIABLAGEQFNFL-OAQYLSRUSA-N 361.401 3.417 0 1 FGAF biogenic CC(=O)OCCN(CCOC(C)=O)CC(c1ccccc1)c1ccccc1 26011801 GTMJQSLUUMMVRG-UHFFFAOYSA-N 369.461 3.247 0 1 FGAF COC(=O)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1 103269200 DBVPFCGQJSZIRF-IBGZPJMESA-N 362.429 3.400 0 1 FGAF C[C@]1(c2cccc(NC(=O)c3coc(C(F)(F)F)c3)c2)COCC(N)=N1 113660733 DKIJRIQOWUZUFU-MRXNPFEDSA-N 367.327 3.153 0 1 FGAF COc1cc2nc3c(O)n(CCN4CCCC[C@@H]4C)cnc-3c2cc1OC 103591815 FZPNQTVZXXGFAZ-ZDUSSCGKSA-N 370.453 3.133 0 1 FGAF COc1ccc(C[C@@H]2C(=Cc3ccc4c(c3)OCO4)CO[C@@H]2O)cc1OC 2356417357 YXNHNPCOSSOQPL-IERDGZPVSA-N 370.401 3.023 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O 2356562743 CBOMORHDRONZRN-DWRORGKVSA-N 350.455 3.027 0 1 FGAF CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C(=O)O)cc12 34845343 DMXNRKKYFNEWPP-UHFFFAOYSA-N 363.299 3.033 0 1 FGAF CC(=O)Nc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1 49035082 BZUDIAMAQQGKIN-UHFFFAOYSA-N 351.450 3.041 0 1 FGAF COc1ccc(CCc2cc(=O)c3cc(OC)c(OC)cc3o2)cc1O 238789568 VUTHNCVIDWOEJW-UHFFFAOYSA-N 356.374 3.310 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 238741933 MQNDIFGHQSDIOB-XRYRHKQGSA-N 374.477 3.432 0 1 FGAF c1ccc2cc(N3CC(Oc4nccnc4C4CCOCC4)C3)ncc2c1 96168953 VGOKLAZZRNASPN-UHFFFAOYSA-N 362.433 3.186 0 1 FGAF COc1[nH]c(O)c(C(=O)[C@@H](C)C[C@H](C)C(C)(Cl)Cl)c(=O)c1OC 142344546 NTZLCVPFRJTASX-YUMQZZPRSA-N 366.241 3.137 0 1 FGAF in-vivo F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174971 ZXQIHLJIAWEHOF-HOCLYGCPSA-N 363.396 3.023 0 1 FGAF Oc1nc2cc3nc(-c4cnn5cccc(Br)c45)[nH]c3cc2[nH]1 587007224 WXZMLSCAVUYCSP-UHFFFAOYSA-N 369.182 3.222 0 1 FGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(F)c2[nH]1 586965222 UAYWEILBEAZATF-UHFFFAOYSA-N 371.445 3.159 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1CC3 587106632 MNSBNJYFMLIIHU-CFTTWAEZSA-N 370.408 3.149 0 1 FGAF CN(C)C(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157903 OXUGYIJAZSWSBB-UHFFFAOYSA-N 363.190 3.228 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587259079 GWAXUOMDTGKIIA-AWEZNQCLSA-N 373.844 3.318 0 1 FGAF COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587809656 SKHAHOUVVKWESC-VFZGTOFNSA-N 356.235 3.291 0 1 FGAF COc1ccc(C(=O)c2ccccc2-c2nc3cnnc(O)c3[nH]2)cc1F 587145490 ZGIRUDZBCDBZTE-UHFFFAOYSA-N 364.336 3.104 0 1 FGAF CC(=O)Cc1[nH]c2cccc(F)c2c1CN1C(=O)c2ccccc2C1=O 587636767 HTYWWSVQGMDGTN-UHFFFAOYSA-N 350.349 3.235 0 1 FGAF CCOC(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 587777389 KFNKCPXVWSZGKY-UHFFFAOYSA-N 362.021 3.194 0 1 FGAF NC1CC(Cc2nc3c(Br)ccc(Br)c3[nH]2)C1 587254970 AQVGQOKEFNIBRV-UHFFFAOYSA-N 359.065 3.368 0 1 FGAF COC(=O)c1cccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 587244454 FSZAIZPOYCLMEA-UHFFFAOYSA-N 352.394 3.396 0 1 FGAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 587241236 RRMOZJMSMNUACN-UHFFFAOYSA-N 361.409 3.081 0 1 FGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)C(C)C 586933178 NHLFVLWDXXIFJR-CYBMUJFWSA-N 363.405 3.397 0 1 FGAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587241439 CARTZNUIGWRLCE-UHFFFAOYSA-N 373.434 3.461 0 1 FGAF CCOC(=O)C[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598769 VGSAXUHONLRKAE-XLIONFOSSA-N 356.374 3.456 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1nccc(C)n1)CC2=O 587469023 GDFQZGBTOWORSX-HXUWFJFHSA-N 369.421 3.196 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@H]2CCCC[C@H]21 587026001 JTSKYQVZRVABOU-XYPHTWIQSA-N 367.478 3.489 0 1 FGAF COc1cc2c(cc1O)[C@]1(CC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963633349 HVRDIDKUYZGECH-QKVFXAPYSA-N 355.434 3.142 0 1 FGAF O=C(O)c1csc(-n2nc(-c3cccc(OC(F)(F)F)c3)cc2O)n1 1772582167 RTQJJWIXXCWNQD-UHFFFAOYSA-N 371.296 3.298 0 1 FGAF c1cc2nsnc2cc1CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 12433087 NRQOCFBRVZBJBR-OAHLLOKOSA-N 368.462 3.497 0 1 FGAF CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO 13657281 KODSMZOHNSCWHS-ZWOKBUDYSA-N 351.487 3.127 0 3 FGAF CC(=O)OC/C=C(\C)C[C@H]1C=C(CC/C=C(\C)COC(C)=O)C(=O)O1 14498366 YSAVITUVNGFNPS-MHWMLJBESA-N 350.411 3.027 0 1 FGAF Fc1ccc(-c2ncoc2-c2ccc3nnc(N4CCOCC4)n3c2)cc1 14961319 LMYKNINLHCJDHE-UHFFFAOYSA-N 365.368 3.027 0 1 FGAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1 4238750 KZRBPBKODKQELP-UHFFFAOYSA-N 363.446 3.395 0 1 FGAF CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1 6652341 RMYIMIVGHPXMDH-CQSZACIVSA-N 351.410 3.193 0 3 FGAF N#C[C@@H](c1ccnc(N[C@@H]2Cc3c[nH]c2n3)n1)c1nc2ccccc2s1 116418664 KORISVSXBGATCA-SMDDNHRTSA-N 359.418 3.174 0 1 FGAF Cn1c2c(c3ccc(S(=O)(=O)c4ccccc4)cc31)[C@H]1CC[C@H](C2)N1 100632795 KJKURLQGTARUPM-CXAGYDPISA-N 352.459 3.360 0 1 FGAF O=C1Nc2ccccc2CC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)CC1 26256162 XDOUPAPTLSROOR-FQEVSTJZSA-N 369.896 3.411 0 1 FGAF CCNC(=O)N1CCC(Nc2nccc(-n3ccc4ccccc43)n2)CC1 28896466 JTBIKPSVKQZGLW-UHFFFAOYSA-N 364.453 3.026 0 1 FGAF Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F 114026707 UWSRISLHJNIWCX-UHFFFAOYSA-N 360.357 3.370 0 1 FGAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1 61925890 UGPJCVVQPNYZAC-OAHLLOKOSA-N 361.373 3.037 0 3 FGAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)[nH]n1 61926688 GODRSMRPDDKYBP-UHFFFAOYSA-N 354.385 3.328 0 3 FGAF CCCN1CCN(C(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)CC1 71928182 MYDAKDIVEAHPNP-UHFFFAOYSA-N 370.522 3.169 0 1 FGAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](O)(C3CC3)CC2)cc1 43058916 FADBIJOEYIMLDD-LJQANCHMSA-N 351.512 3.300 0 1 FGAF COc1cc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1O 40916282 KJQRQXULEOYSKP-UHFFFAOYSA-N 357.362 3.139 0 1 FGAF COc1cc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc(OC)c1 82204203 MUXCOIQVZQTYFL-GJZGRUSLSA-N 372.469 3.028 0 1 FGAF CCN(CC)[C@H](c1ccnc2ccc(OC)cc12)c1nnnn1C(C)(C)C 84742385 CDYCORDKUVIVEM-GOSISDBHSA-N 368.485 3.416 0 1 FGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(C(N)=O)cccc2[nH]1 141086263 YHIXBMMKWIZMLQ-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF O=C(Cc1cccc(Cl)c1)OCCOC1=C(c2ccccc2)C(=O)OC1 96914294 PUPWGZDNLVELIA-UHFFFAOYSA-N 372.804 3.410 0 1 FGAF CC(C)=CCC/C(C)=C/CNCCN1[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 254094469 WSCFZTLXQHUMEA-PXNVXEQASA-N 354.538 3.029 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N2CCCc3cccc1c32 587487931 ZCVNMGYLCNZUCF-QFIPXVFZSA-N 363.413 3.498 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1S(C)(=O)=O)CC2=O 587489430 UWQNIUMSKLHUJV-QGZVFWFLSA-N 360.431 3.455 0 1 FGAF COC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352426 OIBMRUJOOSNXRP-YTUHDDQASA-N 356.349 3.212 0 1 FGAF COc1ccc(C(=O)c2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)cc1F 587143699 DUBGEJXTVFLTFD-UHFFFAOYSA-N 362.364 3.416 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(Br)c(C)nc3[nH]2)c1Cl 587065632 WAOSWOIXISYLDG-UHFFFAOYSA-N 356.611 3.471 0 1 FGAF COCCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587771690 WNOTUMGQQAXOKE-LBPRGKRZSA-N 371.294 3.060 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 587231271 NDQZLWQCOQCJMI-CABCVRRESA-N 366.465 3.456 0 1 FGAF COC(=O)C1CCN(C(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)CC1 587632113 PDUYXQCFGKCBMQ-UHFFFAOYSA-N 352.793 3.294 0 1 FGAF Oc1nc(O)c2ccc(-c3cc(Cl)cc(Br)c3O)nc2n1 587365559 DSLYZRUMRCDXES-UHFFFAOYSA-N 368.574 3.225 0 1 FGAF CCCn1ccnc1[C@@]1(c2ccnc(Cl)c2)NCCc2ccc(O)cc21 963331739 ZRNIWASGCQFOFV-FQEVSTJZSA-N 368.868 3.485 0 1 FGAF C[C@H](OC(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)c1ccccc1 13492634 XYLGLGFZLQRDKD-NSHDSACASA-N 368.780 3.087 0 1 FGAF Cc1cc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC[C@@H]3F)c2)c(C)o1 169702954 OHCOXMADQMWRFQ-MAUKXSAKSA-N 363.364 3.186 0 1 FGAF COc1cccc(-c2nc(NCCc3ccc(F)cc3)nc(OC)n2)c1 206739344 VGWNTCLRRZPPOC-UHFFFAOYSA-N 354.385 3.350 0 1 FGAF O=C(COc1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205223024 KLSRPWWAQIBPAO-BBRMVZONSA-N 374.799 3.119 0 3 FGAF Cc1ncc(-c2ccn3ncc(-c4ccnc(C5CCOCC5)c4)c3n2)cn1 1857549348 OMVFJMDXSOTOGH-UHFFFAOYSA-N 372.432 3.451 0 1 FGAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cn[nH]c1 1857593948 OQPURSASCJWYEM-UHFFFAOYSA-N 374.448 3.378 0 1 FGAF COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4ccco4)CC3)C2)cc1 3956370 AYVABAHQLJFXMJ-UHFFFAOYSA-N 369.421 3.058 0 1 FGAF C[C@H]1CCC[C@H](NC(=S)NC(=O)c2cncc(Br)c2)[C@@H]1C 4802521 YHAHWDDJQFCNFB-CWSCBRNRSA-N 370.316 3.273 0 1 FGAF CCc1ccccc1NC(=O)CCN1CCN2Cc3ccccc3C[C@@H]2C1 26751809 NSYBMTDJKDYICG-OAQYLSRUSA-N 363.505 3.320 0 1 FGAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccccc1 40753960 ROLKCIWNGVNOTL-QGZVFWFLSA-N 366.417 3.167 0 1 FGAF CCNC(=O)Nc1nc2cc3nc(NC(=O)NCC)sc3cc2s1 27110027 IYVCYYCQQYVHOF-UHFFFAOYSA-N 364.456 3.189 0 1 FGAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@]1(C)O 2356523660 AFIBREVUBDLIAK-HBMCJLEFSA-N 356.441 3.028 0 1 FGAF Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 26830965 NRDJIOCQFPTJAK-MGPUTAFESA-N 367.445 3.226 0 1 FGAF COCc1cc(/C=C/c2ccccc2OC[C@@H](O)CNC(C)(C)C)on1 29250076 LQQIPHAAPZTRFO-FVNWOWOISA-N 360.454 3.119 0 1 FGAF COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2=O 137019185 NEJXWLUELALZHN-MNJOZVQWSA-N 370.445 3.139 0 1 FGAF CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1cc(N)ncn1 224558799 KJSZVOLFGFIGKQ-UHFFFAOYSA-N 354.389 3.327 0 1 FGAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C/[C@@H](COc2ccccc2)O1 195144506 ZWESPJLQSOQNEF-HPFXUOIYSA-N 372.461 3.022 0 1 FGAF CC[C@@H]1OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2 96283374 KJNMSNXRKPQPBK-HNNXBMFYSA-N 353.349 3.403 0 1 FGAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2ccccc2n1CC(=O)O 95563258 ZXVKNJSXTQVIIZ-UHFFFAOYSA-N 373.412 3.306 0 1 FGAF CC(=O)Nc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1 261189960 YTWKJONPOVXWTN-UHFFFAOYSA-N 371.456 3.375 0 1 FGAF COc1cc(-n2nnc3c(sc4ccccc43)c2=O)cc(OC)c1OC 299839716 SSTFYDOBJSQRLV-UHFFFAOYSA-N 369.402 3.021 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N(C)C)n2)N1 587755163 NDAUYFORJLTNIY-RFAUZJTJSA-N 365.250 3.068 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587236117 SMADOENQIKSNNT-BQBZGAKWSA-N 362.149 3.194 0 1 FGAF Oc1nc(O)c2ccc(-c3c(Cl)c(Cl)cc4c3OCCO4)nc2n1 587368831 PLDYLZCSDPSPEX-UHFFFAOYSA-N 366.160 3.181 0 1 FGAF C[C@@]1(c2cc(CO)on2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349525 UXHDLOODORCOQN-ICSRJNTNSA-N 369.348 3.286 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncccc1C 587867270 APIKKTQMUYDYIG-UHFFFAOYSA-N 362.311 3.364 0 1 FGAF O=C1CC=C(c2nc3cc(Cl)ncc3[nH]2)NN1Cc1ccc(F)cc1 587164418 VENCELVBLVVJGB-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCC(=O)Nc4ccc(F)cc41)[C@@H](C2)C3=O 587430153 YUWBOKTVJAVPSJ-XOBRGWDASA-N 353.349 3.210 0 1 FGAF CC(=O)c1c(C(F)(F)Br)[nH]c2ccc(S(C)(=O)=O)cc12 587649624 RJUDRCNEEXCTPQ-UHFFFAOYSA-N 366.183 3.218 0 1 FGAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586964131 VPUUGTXTSDQYKG-TZMCWYRMSA-N 358.427 3.334 0 1 FGAF Cc1ccc2c(ccc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c32)n1 586963001 WEZCMKYDMJKJRW-SECBINFHSA-N 352.423 3.351 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587445599 WMRFGMMWHZSRRC-QKKBWIMNSA-N 371.433 3.212 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(OC)nc2[nH]1)C(F)(F)F 587091514 FBDSEDLKJKGJND-MRXNPFEDSA-N 366.343 3.130 0 1 FGAF COC(=O)c1c(C)[nH]c(C)c1[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618870 FARKMMGNGBKKGG-BIBXISHDSA-N 372.465 3.401 0 1 FGAF COc1cc(OC)cc([C@@H]2SCC(=O)Nc3cc4c(cc32)OCO4)c1 1772637996 AEYGWGDVMYHPDD-SFHVURJKSA-N 359.403 3.207 0 1 FGAF O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)c(F)c1 205305883 OMFTWDFSWRQXKP-UHFFFAOYSA-N 355.344 3.401 0 1 FGAF Cc1nccc(=NCc2ccc(Cc3cc(-c4cccnc4N)on3)cc2)[nH]1 1857552372 LXDXBJYZDLKLKJ-UHFFFAOYSA-N 372.432 3.042 0 1 FGAF Cc1ccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305410 UKEJMTPCTQVIDV-JKSUJKDBSA-N 371.481 3.006 0 1 FGAF CC[C@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C 2459965 UVRWZUHNSALYJO-LBPRGKRZSA-N 364.467 3.054 0 1 FGAF CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1 3030656 JIHUFZOSRZWDIV-UHFFFAOYSA-N 357.435 3.112 0 3 FGAF COc1ccc([C@H]2NC(=S)Nc3c2c(=O)oc2ccccc32)cc1OC 6484701 QAYKCZZBDKECPJ-MRXNPFEDSA-N 368.414 3.200 0 1 FGAF COCCNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 6900742 JWSBVGIVJGWTEB-UHFFFAOYSA-N 372.428 3.464 0 1 FGAF C[C@H](CC1=N[C@@H]2[C@@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330045 JPHHGFNKNXDZSD-KKFJDGPESA-N 358.751 3.205 0 1 FGAF CC1(C)ON=C([C@@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)O1 101899748 OJLMJPYXQRSQFM-KRWDZBQOSA-N 356.397 3.397 0 1 FGAF O=C(O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1c1ccccc1 26656667 ZHORTEWAIPPSEA-CYBMUJFWSA-N 373.217 3.025 0 1 FGAF O=C(COc1ccccc1Cl)Nc1nnc(-c2ccc3c(c2)OCO3)o1 66136447 PJXDLKKERCLLJX-UHFFFAOYSA-N 373.752 3.136 0 1 FGAF CC(=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(C)c1)CC2=O)CO 2356442274 WDYQMCNGMVWGAA-IBGZPJMESA-N 370.401 3.299 0 1 FGAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N(C)CCc1ccccn1 2356463665 IIRMTSCLHQBXKH-CYBMUJFWSA-N 369.396 3.244 0 1 FGAF COc1cc2c(cc1OC)C(c1cc3ccccc3s1)=NNC(=O)C2 34030032 PERZEJHKDLXUBT-UHFFFAOYSA-N 352.415 3.343 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(Cc3cccnc3)CC[C@H]2C1 15673141 KERATTCFNCKVLS-ROUUACIJSA-N 357.498 3.105 0 1 FGAF biogenic Nc1nccc(-c2ccc3nc([C@H]4COc5ccc(F)cc5C4)[nH]c3c2)n1 40873922 KNHSCMMTXLGHKZ-CYBMUJFWSA-N 361.380 3.460 0 1 FGAF CC(C)N(CC[C@](CCCN(C)C)(C(N)=O)c1ccccc1F)C(C)C 40632282 LNFBPEXSWJEXTN-NRFANRHFSA-N 365.537 3.400 0 1 FGAF Cc1nc(C)c(CN2CCN(C(=O)c3ccccc3Cl)CC2)nc1C 40950069 SAAMEZVZPIUUFE-UHFFFAOYSA-N 358.873 3.013 0 1 FGAF O=C(O)Cn1c2c(c3cc(F)cc(F)c31)CN(C(=O)c1ccccc1)CC2 96271040 BTLHJJZUGWLEBW-UHFFFAOYSA-N 370.355 3.203 0 1 FGAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F 95893819 XJUPBKIKSLNNQI-IRFCIJBXSA-N 372.415 3.050 0 1 FGAF O[C@H]1CC[C@H](Nc2nc(N3CCCCC3)ncc2-c2ccccn2)CC1 261082528 BXVCQFJVWUUMKU-WKILWMFISA-N 353.470 3.244 0 1 FGAF COc1cccc2c1[C@@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473107119 HKTOBWBJAIXLOQ-OAQYLSRUSA-N 374.525 3.062 0 1 FGAF COc1cc(/C=C/C(=O)OCc2nc(C)c(C)nc2C)cc(OC)c1OC 653764466 QUYJIJHGNSKNTA-BQYQJAHWSA-N 372.421 3.184 0 1 FGAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(I)c2[nH]1 587961205 DKXWYHWOMDCBBT-IUCAKERBSA-N 354.191 3.325 0 1 FGAF COc1cccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431558 HEPYLDOHXDTVSR-IIBYNOLFSA-N 367.401 3.239 0 1 FGAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)CC2 587945531 FXCBDERGEIOEAE-LBPRGKRZSA-N 358.419 3.091 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587440840 QVXLCKMZKRQSFI-SBOBAANCSA-N 368.385 3.210 0 1 FGAF Cn1nnc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587582480 LMRONXIXQVQTSH-GHTZIAJQSA-N 373.368 3.377 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2 587385680 DVGQOIXKKMXUPD-AZUAARDMSA-N 368.389 3.146 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)n2ccnc21 587490920 PZNUJIJFZZHSBV-JOCHJYFZSA-N 374.396 3.452 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]ccc1=NC(=O)C(C)(C)C)O2 587389365 KASKGORTLIHKGN-KRWDZBQOSA-N 353.422 3.085 0 1 FGAF CCOC(=O)C(F)(F)[C@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587382886 UGBUKIURQPGAMG-APPDUMDISA-N 353.365 3.280 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)c3ccccc3)C1)O2 587396282 RKOWSVJHLNGUDO-NRFANRHFSA-N 350.418 3.217 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(OC(C)C)cc2[nH]1 586951491 OZUYDCPUHZJCIT-UHFFFAOYSA-N 366.468 3.154 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381581 JSBYDPQWGKYUAU-FQEVSTJZSA-N 373.380 3.149 0 1 FGAF Cc1nn(C)c(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587738456 OMQSKUDFDDWGMW-NXSYQRQQSA-N 356.214 3.393 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(N)=O)cs2)N1 587848924 PYLVADBSXKIHQJ-UOWDBTKRSA-N 369.259 3.372 0 1 FGAF C[C@H](n1cncn1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760785 QQSQIMUDAQQBQH-FTGAXOIBSA-N 353.239 3.190 0 1 FGAF NCC1(c2ccccc2)CC2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962729644 IQULCJFVXFTBQL-QHGAOEGBSA-N 374.406 3.218 0 1 FGAF Cc1cc2c(cc1O)[C@](Cc1ccccc1)(c1ccccn1)N[C@H](C(=O)O)C2 963470881 MEOFWQUYVJWJEW-WMZHIEFXSA-N 374.440 3.181 0 1 FGAF CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1 218218749 LYECZDRRRZNARD-UHFFFAOYSA-N 356.813 3.433 0 1 FGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(I)cc1)O2 13764444 GWGUPRNQVJIAAS-FQUUOJAGSA-N 372.202 3.115 0 1 FGAF COc1cc2c(cc1O)C(CCc1cc(OC)c(OC)c(OC)c1)=NCC2 5203252 AMLZYOWDQSXOIH-UHFFFAOYSA-N 371.433 3.405 0 1 FGAF CCOC(=O)[C@H]1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 5812389 LZIOVLJGKCCYKV-LJQANCHMSA-N 352.342 3.163 0 1 FGAF O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(/C=C/c1ccccc1)c1ccccc1 5954577 ZNJFSXPVEZDYHT-XGWCBKCASA-N 363.457 3.225 0 1 FGAF CCc1c2s[nH]c(=O)c2c(=O)n2ccc(-c3cc(C)nc(C)c3)cc12 13678287 UVJWLIUONXIZCV-UHFFFAOYSA-N 351.431 3.444 0 1 FGAF CC(=O)Nc1cccc(-c2cncc(NCc3ccc4c(c3)OCO4)n2)c1 13679272 GPHPIMUYAQUIEO-UHFFFAOYSA-N 362.389 3.443 0 1 FGAF C[C@@H](CO)CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14917638 QZBPWZWWRPDXGM-JSKPFOEOSA-N 370.401 3.292 0 1 FGAF O=C(NC1CC1)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 169304125 WBLZCNIEEVRRTG-UHFFFAOYSA-N 360.417 3.471 0 1 FGAF COC(=O)[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C 169355735 XUMFBWVLWILAGJ-AHRSYUTCSA-N 366.461 3.391 0 1 FGAF Cc1cccc(C(=O)N[C@@]23CCC[C@](NC(=O)c4ccncc4)(CC2)C3)c1 169710859 ROVACBZWABKJSI-VXKWHMMOSA-N 363.461 3.395 0 1 FGAF Clc1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1Cl 225934924 COHJFYQXZDDDSL-UHFFFAOYSA-N 372.219 3.480 0 1 FGAF O=C(CN(Cc1cccs1)C(=O)c1ccccn1)NC1CCCCC1 1365562 LSEVJYICQVRNMJ-UHFFFAOYSA-N 357.479 3.234 0 1 FGAF COC(=O)[C@H]1CC=C(SC(=O)c2ccccc2)N1C(=O)c1ccccc1 1653528 NREUQFNFNCFCAT-MRXNPFEDSA-N 367.426 3.489 0 1 FGAF O=C1c2ccccc2[C@](O)(c2ccc3[nH]ncc3c2)N1Cc1ccccc1 116253453 GWVCKDGKNUDQHN-JOCHJYFZSA-N 355.397 3.412 0 1 FGAF CC(=O)Oc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1 2356618035 BGRJFGWDFMYSGC-UYAOXDASSA-N 357.450 3.433 0 1 FGAF CCCCO[C@H]1C=Cc2c(cc(O)c(OC)c2O)CC(=O)O[C@H](C)C1 2356720929 ODGHZFOGPPEMMC-OCCSQVGLSA-N 350.411 3.183 0 1 FGAF CCOC(=O)c1ccc(COC2CCN(c3ccc(C)nn3)CC2)cc1 72127599 KCPYWURHOVJBEP-UHFFFAOYSA-N 355.438 3.147 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(CO)C[C@@]3(CC[C@@H]12)C[C@@H]4O 33830122 QUWSFOAAHUTMOI-FTHHMZFUSA-N 350.499 3.296 0 1 FGAF CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040410 FRHPYELSQBILMQ-QGZVFWFLSA-N 353.466 3.189 0 1 FGAF biogenic COc1cc(-c2cc(=O)n3ncc(-c4nc(C)co4)c3[nH]2)ccc1Cl 142750412 NXZNYSLONOJIDK-UHFFFAOYSA-N 356.769 3.315 0 1 FGAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587392354 SXMMFZGJKDENQN-INIZCTEOSA-N 371.437 3.412 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(F)c1)[C@@H](C2)C3=O 587429073 SAJNJQQVJNHLAW-YWZLYKJASA-N 355.365 3.369 0 1 FGAF COCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762685 ZJWQICGFWVSNEW-MGPLVRAMSA-N 368.250 3.055 0 1 FGAF CCOC(=O)CC[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393815 NDJNRXAGHKQXHC-HXUWFJFHSA-N 354.406 3.176 0 1 FGAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434573 AUSBHEKEDPMXFG-VWVPQACVSA-N 373.449 3.458 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028623 XNMXNQMUOVVJHZ-UHFFFAOYSA-N 356.432 3.001 0 1 FGAF COc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587125784 UTBHGUOCPDXFJC-WRWORJQWSA-N 352.320 3.138 0 1 FGAF Cc1cnc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2c1 587039591 ZIHUKORPMRQBNC-JTQLQIEISA-N 354.439 3.014 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2cc(OC)ncc2[nH]1)C(F)(F)F 587093906 ZULGGVSXIPZWBQ-MRXNPFEDSA-N 366.343 3.130 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC[C@H](C(F)(F)F)C[C@H]1N)N(C)[C@H](C)C2 962621009 AXYIGUANUXVJFC-MWDQSAOVSA-N 372.431 3.465 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]23[C@@H](O)O[C@H](C[C@@H]4[C@@H]2Cc2occc2[C@@H]4C)[C@H]31 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O=C(Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1)c1cccs1 587018819 AXHGTLPXNMEEOR-UHFFFAOYSA-N 357.420 3.025 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)F)nn(C)c1O)CC2=O 587465758 KGINKERIIRRSQX-GFCCVEGCSA-N 352.337 3.428 0 1 FGAF COc1cccc(C2(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CCCC2)c1 587933915 ZXKRBYPWYJXUGE-UHFFFAOYSA-N 371.462 3.079 0 1 FGAF Cc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Cl 586930580 SMJVQSOBHNOVDX-UHFFFAOYSA-N 365.842 3.060 0 1 FGAF CC(=O)SCc1cc(O)n(-c2cccc(Br)c2N)c1O 587935691 FFAFYXKKLNMHLV-UHFFFAOYSA-N 357.229 3.013 0 1 FGAF COP(=O)(C[C@@]1(c2ccccc2F)NCCc2ccc(O)cc21)OC 963341991 PUIFUUASKKXOTC-SFHVURJKSA-N 365.341 3.407 0 1 FGAF Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)NCCc2ccc(O)cc21 963340425 GWBLEBUGNQLCJD-HNAYVOBHSA-N 359.495 3.157 0 1 FGAF COc1cc2c(cc1OC)-c1c(C)c3ccc(O)c(OC)c3c[n+]1CC2 59225694 ZTZIGDQAGXBTIT-UHFFFAOYSA-O 352.410 3.390 0 1 FGAF Oc1cc(-c2ccncn2)nc([C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 1772654003 OCWYAZZXMQCKSA-SUMWQHHRSA-N 352.369 3.414 0 1 FGAF Cc1cc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)n(-c2ccccc2)n1 5058686 POHLMAKXYUNQQZ-CALCHBBNSA-N 354.498 3.279 0 3 FGAF O=C(N[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)OCc1ccccc1 5957010 HEZYDORZZQHDTJ-QGZVFWFLSA-N 368.389 3.198 0 1 FGAF CC(=O)NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535973 RMTMSYZHBIXLDA-UHFFFAOYSA-N 352.369 3.088 0 1 FGAF O=c1[nH]c2cc(Cl)ccc2c(CCc2nnn[nH]2)c1-c1ccccc1 13761251 XAGGRLCPNNLPSX-UHFFFAOYSA-N 351.797 3.147 0 1 FGAF CCO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O 169702036 JNJPMTLZSXBHIJ-BFYDXBDKSA-N 373.371 3.258 0 1 FGAF CS(=O)(=O)c1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1 203686376 DJMDNVUOCCVFSW-UHFFFAOYSA-N 355.444 3.497 0 1 FGAF NC1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1 205259182 IMMJLZKQVTXHAY-UHFFFAOYSA-N 371.448 3.009 0 1 FGAF COCCNc1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2 205626182 IIZCOWMJKCKTDD-UHFFFAOYSA-N 355.419 3.074 0 1 FGAF CN(C)Cc1ccc2c(c1)nc(-c1ccc(F)cc1)n2-c1cc[nH]c(=N)n1 1857559107 LBQFEZHKDZUTBL-UHFFFAOYSA-N 362.412 3.096 0 1 FGAF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cn2)cc1 1857654298 VLGIYNTWDHMHSO-UHFFFAOYSA-N 368.389 3.138 0 1 FGAF Cc1c(COc2cc(OCCC(C)(C)O)ccn2)[nH]c2ccccc2c1=O 59224623 JJUYZHJELDSQJK-UHFFFAOYSA-N 368.433 3.350 0 1 FGAF COc1c(O)ccc2c1C[C@H](C(C)(C)O)[C@H]2CC(=O)c1ccc(O)cc1 2356558736 KERBMEWZYAFFCZ-RDJZCZTQSA-N 356.418 3.406 0 1 FGAF C[C@@]12CCC[C@@]3(C)CO[C@](O)(C(=O)c4cc5c(O)ccc(O)c5cc41)[C@H]23 2356627602 OBXVUUWPKYYYBL-UWHLTILDSA-N 354.402 3.230 0 1 FGAF O=C(CCN1CCC(Cc2c[nH]cn2)CC1)NCc1ccc(Cl)cc1 28563678 XHKLKXCBIQTLMR-UHFFFAOYSA-N 360.889 3.024 0 1 FGAF O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2cccc(F)c12 49033841 JKIQJNZUUPEZKI-ZDUSSCGKSA-N 362.401 3.287 0 1 FGAF CCCCC[C@@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)O 40164460 YCFPVUKKIWMCJK-VEQBNNKOSA-N 354.487 3.353 0 1 FGAF in-man CCC(=O)N[C@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 40584854 KAWUGODYUBWMIJ-LJQANCHMSA-N 366.417 3.269 0 1 FGAF C[C@]1(O)C[C@](c2ccc(OC(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 653816305 COMFVLOAIUCJPR-BRWVUGGUSA-N 353.340 3.496 0 1 FGAF COc1ccc2cc(CCCn3nnnc3-c3ccccc3)oc(=O)c2c1 653709179 YWZOQFADXNNJLZ-UHFFFAOYSA-N 362.389 3.088 0 1 FGAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3N)c[nH]c2c1 653713190 WRQNHUVMUQVHAF-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF O=C(Nc1nc(Cc2nc3cc(F)cnc3[nH]2)cs1)c1cccc(O)c1 587020160 ZGLMNWSHLNEUES-UHFFFAOYSA-N 369.381 3.102 0 1 FGAF O=C(O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604738 VXYZYLKYOQGGHF-LCIZUOBNSA-N 354.358 3.367 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C=C[C@H]2C[C@H]1C(=O)O 587829077 VUDUDLWDINMVOO-SPMBDXOZSA-N 366.230 3.224 0 1 FGAF CCOc1ccccc1OCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587780606 VNVIZGDNOPTQIG-UHFFFAOYSA-N 356.378 3.336 0 1 FGAF CC(=O)NC1(c2nc3ccc(Br)nc3[nH]2)CCC(C)CC1 587234923 YSJVBFKXXDYLSO-UHFFFAOYSA-N 351.248 3.262 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(CO)cc2[nH]1 586972027 DEHZUAKSWOBUFZ-SFHVURJKSA-N 355.463 3.166 0 1 FGAF OC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOCC1 586914172 VIOHRHSJMCUSHM-UHFFFAOYSA-N 365.149 3.342 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755117 MDYVGUKDDCNFRC-PIGZYNQJSA-N 371.294 3.498 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCC2)N1 587755392 NZHBTINYWXFBON-NOZJJQNGSA-N 355.251 3.080 0 1 FGAF C[C@H]1CN(C2CC2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587759296 FPVRTKGEAKDEKL-RVPKQNPDSA-N 353.279 3.432 0 1 FGAF Oc1nncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985761 RJQWZQVKVODQSW-AWEZNQCLSA-N 374.242 3.006 0 1 FGAF COC(=O)/C=C/c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441636 GISVBICZQMJKIO-IZUNPCHJSA-N 350.370 3.370 0 1 FGAF Cc1ccc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1C(F)(F)F 587095883 YPNFIUSWDZRLML-UHFFFAOYSA-N 369.368 3.128 0 1 FGAF COC(=O)COc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587398850 FRBSQDFVPKPDTO-SFHVURJKSA-N 369.417 3.452 0 1 FGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(Cc3cccc(Cl)c3C2)N1 963227149 MOKQHJDYEQBGEZ-PZJWPPBQSA-N 364.832 3.481 0 1 FGAF CC(=O)[C@@H]1CCC(C)=C[C@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971116 GXRBZPSBPDDUHF-MIUNTBIASA-N 369.795 3.358 0 1 FGAF Cc1cc(C(=N)N)ccc1-c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)o1 13981044 MZIXJEWLHNYTIE-UHFFFAOYSA-N 358.405 3.366 0 1 FGAF CCCN1CCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)CC1 19301158 DLSUJDPNWGUEGS-UHFFFAOYSA-N 362.518 3.069 0 3 FGAF CC(C)=C1N(S(=O)(=O)C(F)(F)F)CC[C@]12CN(C)c1ccccc12 206037438 GFNCHQKMNYUKKV-OAHLLOKOSA-N 360.401 3.223 0 3 FGAF CCCCNC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1857613192 YRMUCVPGFWCPDD-UKTHLTGXSA-N 352.843 3.293 0 1 FGAF COC(=O)N[C@H](C(C(=O)OC)=C(C)NCc1ccccc1)c1cccs1 1857623164 GYMVPSPYGOGQDI-KRWDZBQOSA-N 374.462 3.382 0 1 FGAF CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)n[nH]c1=NCC1CC1 1857752777 RWJDNDQSUWJETC-UHFFFAOYSA-N 368.525 3.398 0 1 FGAF O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1 602996 NQDWSKCPAPDCEI-UHFFFAOYSA-N 359.491 3.121 0 1 FGAF OCCCNc1cncc(-c2ncnc(Nc3cccc(Cl)c3)n2)c1 3937624 BAVKUXQEIWBDJO-UHFFFAOYSA-N 356.817 3.125 0 1 FGAF CC(=O)Nc1cccc2c1C[C@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2 28234893 WUPCAAVZWULBKD-PKTZIBPZSA-N 364.489 3.353 0 1 FGAF CCOC(=O)c1ccc(COCC2CCN(c3ccc(C)nn3)CC2)cc1 72127598 YUKJENLWLQCSNO-UHFFFAOYSA-N 369.465 3.395 0 1 FGAF CSc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12 213525631 RNZCGOFMMDFFSD-UHFFFAOYSA-N 350.451 3.146 0 1 FGAF NCCC(=O)N1CCc2c([nH]c3c(Cl)cccc23)[C@@H]1c1cccc(O)c1 49589025 YKGYNBPZQNNYOZ-FQEVSTJZSA-N 369.852 3.350 0 1 FGAF Cc1ccccc1CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1 1911578906 ZQBCWQQDCKFSHI-SFHVURJKSA-N 369.465 3.368 0 1 FGAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)Cc1ccccc1C2 40950806 RURNSGIUVDPHQI-UHFFFAOYSA-N 355.526 3.405 0 1 FGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](F)[C@@H](F)C4)ncn3)c2c1 221130683 QUUBKXQDOZTQBA-KBPBESRZSA-N 359.380 3.303 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccco3)C2)O1 96019053 AGJWXBIAQRPWIV-JXFKEZNVSA-N 362.470 3.082 0 3 FGAF Cc1cc([C@]23O[C@@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)nc2ccccc12 254240963 ZUAHQDPDUQIUOG-QTQZEZTPSA-N 371.433 3.398 0 1 FGAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)O)cc1 299840898 WPWMLDHTRMCTIP-UHFFFAOYSA-N 363.377 3.165 0 1 FGAF C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCCC1 587661871 SPKVDDXUXUVTIP-AWEZNQCLSA-N 365.408 3.327 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587230932 JVASGKAZXXJCHC-ZIAGYGMSSA-N 358.486 3.292 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCOCC2)N1 587766887 OTTKZKHBPSIJNH-BZNIZROVSA-N 371.294 3.274 0 1 FGAF Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)cnn1-c1ccc(Cl)cc1 587075740 LKYFXUKJELSXMD-UHFFFAOYSA-N 358.814 3.162 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 586952393 JOYYIOXMHWWBBG-UHFFFAOYSA-N 372.494 3.339 0 1 FGAF COc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587775944 VDAMVSNYKGSPHH-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF COc1cc(CNNc2nc3cc(Cl)ccc3[nH]2)cc(OC)c1OC 5489771 MIWVHBAYCDKHFU-UHFFFAOYSA-N 362.817 3.359 0 1 FGAF CC(=O)c1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ncccn4)c3O2)cc1 11974757 DWLVUUKIGYNSHT-GOSISDBHSA-N 373.412 3.080 0 1 FGAF OC[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C1CC1 204419842 MXOLQYRKDFUTNU-HNNXBMFYSA-N 355.335 3.162 0 1 FGAF CCOCCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC(C)(C)O3 6940631 RUVKZAJBWSCBDX-CYBMUJFWSA-N 361.438 3.492 0 3 FGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccccc1 2356298007 LGIPYZLWHJZCHU-GGPKGHCWSA-N 356.514 3.004 0 1 FGAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CC=CC1 26468847 FRAPXLCDNLJTFN-ZPAWYTMASA-N 364.489 3.348 0 1 FGAF CN1C(=O)C(C)(C)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 64513449 JCZIBVHYSYKCDW-NSHDSACASA-N 362.779 3.232 0 1 FGAF CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34CNC[C@@H]3C4)cc2)cc1 34809192 SJJCRPJMKKRQSW-FXAWDEMLSA-N 356.491 3.472 0 1 FGAF COc1cc(/C=C/C(=O)O)cc(OC)c1OCc1nc(C)c(C)nc1C 73139158 TWFHGFQJPVUCQZ-VOTSOKGWSA-N 358.394 3.096 0 1 FGAF CN1O[C@](C)(CC(=O)NCc2ccc(F)c(Cl)c2)N=C1c1ccco1 74374084 YADZKHJBORVEDH-QGZVFWFLSA-N 365.792 3.118 0 3 FGAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212283 ZJLZFCBUIMUTCF-CYBMUJFWSA-N 374.460 3.032 0 1 FGAF COc1ccc2c(CS(=O)(=O)C3CCCCC3)cc(=O)oc2c1OC 84669040 YXYWHHJIVCTMBB-UHFFFAOYSA-N 366.435 3.058 0 1 FGAF COc1cccc(-c2nc3c(NC4CCC(O)CC4)nccc3[nH]2)c1F 82081815 XBAQOYQCRQNLQV-UHFFFAOYSA-N 356.401 3.488 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 198571505 UWOPKHRTHMMNDX-ZKHIMWLXSA-N 361.482 3.410 0 1 FGAF O=C(N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283265 RIYSYRWQPZAUDK-CAZKFNJPSA-N 351.494 3.193 0 1 FGAF COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@@]1(C)c1ccccc1 299833289 KLRNYDZORGIYJJ-SFTDATJTSA-N 354.402 3.259 0 1 FGAF C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1ccc(C(F)(F)F)n1 587651965 SHGHYMHKTRQZEL-MRVPVSSYSA-N 370.718 3.167 0 1 FGAF COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587394542 HCFQBYJYAXWWBA-SFHVURJKSA-N 350.374 3.134 0 1 FGAF CN(C)CCOc1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586879318 LEQZPQOGIRLNFM-JXMROGBWSA-N 351.406 3.268 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CN(Cc3ccccc3)CCO1)O2 587395537 OCTBSLHZWVPWNI-IFMALSPDSA-N 366.461 3.202 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCNCC3)Oc3ccccc31)O2 587398120 CCZJSVZHJUVQGS-QFIPXVFZSA-N 364.445 3.343 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 587871694 BMRVGURGDOKXPR-UHFFFAOYSA-N 365.368 3.495 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccncc21 587394416 GSQONZVVUJWZOK-QFIPXVFZSA-N 356.381 3.426 0 1 FGAF CO[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](OC)O1 587832396 JRJURCAZAQVEED-BLWXBFRCSA-N 374.250 3.145 0 1 FGAF O=C(O)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587038786 BRGBMGHCQAFVTP-HZPDHXFCSA-N 357.410 3.347 0 1 FGAF COc1cccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 587038325 QSUSUHJBSCQHEL-JTQLQIEISA-N 369.450 3.319 0 1 FGAF COc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441620 HWIQNQIHCDHTLH-IIBYNOLFSA-N 368.385 3.212 0 1 FGAF COc1cc(Br)c([C@@H](N)c2nc3ccccc3[nH]2)cc1OC 586975665 PDDOLCWUCAXTII-OAHLLOKOSA-N 362.227 3.391 0 1 FGAF CCOC(=O)[C@@](C)(OC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522223 KJQSESYAEBAUSX-NHCUHLMSSA-N 374.433 3.174 0 1 FGAF COC(=O)c1ccc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441095 CSXQQVYPOGHEOK-IRXDYDNUSA-N 352.386 3.231 0 1 FGAF CC(C)CN1C(=O)[C@]2(NCCc3ccc(O)cc32)c2cc(Cl)ccc21 963328128 CDXOFLQJZXLILQ-HXUWFJFHSA-N 356.853 3.438 0 1 FGAF Cn1ncc2c(N[C@H]3CCC[C@H](O)C3)nc(Nc3ccc(F)c(F)c3)nc21 1772582461 NNODMMRQXOTFOA-JQWIXIFHSA-N 374.395 3.101 0 1 FGAF COC1(OC)C[C@H]2CCCCC2=C(C)N1S(=O)(=O)c1ccccc1 5757558 JESBBHBZNOCVQK-OAHLLOKOSA-N 351.468 3.492 0 1 FGAF CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)C(C)C 14826962 GUWOWSAGEMNEHI-ROUUACIJSA-N 374.389 3.136 0 1 FGAF biogenic,in-vitro O=C1C[C@@H](c2ccccc2)CN1c1cnc2c(N3CCNCC3)cccc2c1 169347297 GIQNFCNDIZCJAU-LJQANCHMSA-N 372.472 3.165 0 1 FGAF CCOc1ccc(NC(=O)Cc2sc(=O)n(-c3ccccc3)c2O)cc1 169700570 RFJNAABEPISPES-UHFFFAOYSA-N 370.430 3.185 0 1 FGAF CC[C@]12C=CCN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C1)O[C@@H]32 206230387 DKJYFUMATVMRHB-GIVPXCGWSA-N 352.434 3.107 0 1 FGAF CNc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205723058 NFHWBZUYHNSKBC-QGZVFWFLSA-N 365.216 3.448 0 1 FGAF O=C(c1cc(C(F)(F)F)no1)N1CC[C@@H](c2cc3ncccc3[nH]2)C1 1857545368 DEPQGJPHXLAVKL-SECBINFHSA-N 350.300 3.199 0 1 FGAF CCO[C@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4141155 XGPPFGCXWBDLEJ-RZFLPCETSA-N 368.470 3.268 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@@H]2CC[C@H]1N2 28566205 HFDAIKHXHSHODJ-NBYUQASBSA-N 352.434 3.154 0 1 FGAF CCN(CC)C(=O)c1ccc([C@H](c2ccc(C)cc2)N2CCNCC2)cc1 22939801 DZRRVROYJXYKPV-QFIPXVFZSA-N 365.521 3.472 0 1 FGAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@H]2/C=C\[C@@H](COc2ccccc2)O1 101168520 ZWESPJLQSOQNEF-WAWDSRIFSA-N 372.461 3.022 0 1 FGAF COC(=O)c1[nH]cc(-c2cccc(Br)c2)c1N1CCOCC1 27849844 UPABJRSZALVYMS-UHFFFAOYSA-N 365.227 3.067 0 1 FGAF Cn1cnc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 64497560 LNAOCSKMRMMPOQ-UHFFFAOYSA-N 373.416 3.414 0 1 FGAF COc1ccc(C=CCOC(=O)C=Cc2ccc(OC)c(O)c2)cc1O 2356537823 HMJONXQFQDDNCT-UHFFFAOYSA-N 356.374 3.385 0 1 FGAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CCC1=C(C=CCC2=O)C(=O)OC1 2356624946 VGBNOFOWNHRFOS-GUXCAODWSA-N 356.374 3.053 0 1 FGAF COC(=O)[C@@H]1COCC[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12 2356703028 JDJVJTFQJVKZQS-RRQGHBQHSA-N 350.418 3.139 0 1 FGAF c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCCC2)n1 114773048 AOEBFKZJGQPEOC-UHFFFAOYSA-N 365.437 3.178 0 1 FGAF COc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1OC 96282996 LRSHECROBZSRBX-UHFFFAOYSA-N 350.378 3.415 0 1 FGAF COc1ccccc1N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 95573119 UIBMFGZVKSYOGS-LJQANCHMSA-N 369.465 3.044 0 1 FGAF O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2F)cc1 299867850 YWJXRPRLPSIVDM-UHFFFAOYSA-N 357.429 3.329 0 1 FGAF CN1CCN(c2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)CC1 586881722 YQGLGCUQGVJKTH-RMKNXTFCSA-N 362.433 3.080 0 1 FGAF COc1cc(O)cc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587932132 NRKNXXMLHPEAKY-UHFFFAOYSA-N 366.402 3.395 0 1 FGAF COC(=O)[C@H]1CCc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587397837 BVGIZPAFWKAFQI-IERDGZPVSA-N 351.402 3.173 0 1 FGAF COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403123 JXPKSHNUPFCHMG-ZSEKCTLFSA-N 369.417 3.256 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)ccc3F)c(CC(=O)O)c2c1 587648946 DLSCDKQYCSFGPP-UHFFFAOYSA-N 365.357 3.144 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CO)cc4[nH]3)cc2N1 587123277 HIWNCXSOMGRBNL-ISVAXAHUSA-N 351.332 3.226 0 1 FGAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccnc3)cc2c1C 1772622685 RIONXFKDPNCVCI-UHFFFAOYSA-N 360.391 3.114 0 1 FGAF CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)OC)[nH]c1=O 5886732 JIQNBQKMDYVUOD-UHFFFAOYSA-N 368.458 3.341 0 1 FGAF COc1cc([C@@H]2CC(c3cccs3)=Nc3ncnn32)cc(OC)c1OC 13121780 PFUOQQITFFTFLX-ZDUSSCGKSA-N 370.434 3.479 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1CCCC(=O)O 169622177 VRHOOVVYFPUEHK-QWDSWNQISA-N 352.471 3.251 0 1 FGAF C[S@@](=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205047092 OARQRIONHZACAE-RUZDIDTESA-N 355.419 3.290 0 1 FGAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccs4)c(=O)n1c23 1857610331 QPSRYQNRJRMKHT-JTQLQIEISA-N 372.421 3.345 0 1 FGAF CCN1CCN(c2nc(C)nc3oc(-c4ccccc4Cl)nc23)CC1 1857630800 XWYLNWVTWBTYTQ-UHFFFAOYSA-N 357.845 3.389 0 1 FGAF CC=CC(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356359513 MHLKYRDXNNGAMX-RBUKOAKNSA-N 372.373 3.056 0 1 FGAF O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCN1C/C=C/c1ccccc1 103275038 JMHXLQAHRXFNAM-UPZASGKISA-N 365.429 3.053 0 1 FGAF COc1ccccc1NC(=O)CSc1n[nH]c2c3ccccc3nc-2n1 104093661 PFXZSFDVWJPQBG-UHFFFAOYSA-N 365.418 3.197 0 1 FGAF O=C(O)[C@H]1Cc2cc([C@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1 26650606 GFKYAZOCXXIWHG-RISCZKNCSA-N 352.173 3.368 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1C(=O)NC(=O)[C@H]1CC=CC[C@@H](C)CC(=O)O 2356626948 QKFPKSFDJQKEKM-QZWWFDLISA-N 367.486 3.044 0 1 FGAF CN1O[C@](C)(CC(=O)Nc2cccc(N(C)C)c2)N=C1c1ccccc1F 74374220 ILPRZZAHAQVDQM-HXUWFJFHSA-N 370.428 3.260 0 3 FGAF CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1 72141045 LSYJQCBBXGHNBC-CQSZACIVSA-N 359.463 3.194 0 3 FGAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccccc4)cc23)CC1 71281399 NKVPQARCVBQWEZ-UHFFFAOYSA-N 355.463 3.205 0 1 FGAF COc1ccc([C@](C)(O)c2nc(N3CCSC3)nc3ccccc23)cc1 1911572180 VJNBAQRWMZRNFD-FQEVSTJZSA-N 367.474 3.405 0 1 FGAF CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccnc1)C1CC1 139053295 SDNWRIRHDXMDHM-GOSISDBHSA-N 371.506 3.333 0 1 FGAF Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 96286315 GPSCHCFBKYKZKJ-QRFRQXIXSA-N 357.498 3.176 0 1 FGAF O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12 146824915 JZBFVMLLUPAFDP-UHFFFAOYSA-N 361.397 3.497 0 1 FGAF NC1=N[C@@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1 96929116 BXBCTBZVFUCZMK-KRWDZBQOSA-N 358.854 3.190 0 1 FGAF C/C1=C\[C@H](O)C[C@](C)(O)C/C=C/[C@H](C(C)C)CC[C@@](C)(O)[C@@H](O)CC1 238782990 NANZSPCGNXRSPO-WFJOZGJNSA-N 354.531 3.339 0 1 FGAF COC(=O)/C=C1/CN2[C@H]3CC[C@H]2[C@H]1[C@H](c1ccc(Br)cc1)C3 253952370 ZMKPUZMPYBNAFS-BEJFQDMJSA-N 362.267 3.499 0 1 FGAF COc1cc2c(cc1C(=O)[C@@H](O)Cc1ccc(O)cc1)C=CC(C)(C)O2 43078874 CSJQGXKXWYTHHQ-KRWDZBQOSA-N 354.402 3.371 0 1 FGAF biogenic C[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)Cc2ccc(F)cc2C(=O)O1 587174143 NFPSIPZVGAFLIB-HXUWFJFHSA-N 365.364 3.215 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H](O)c4ccccc43)nc-2[nH]1 586901752 HXXUKNSAAMSNJJ-JKSUJKDBSA-N 373.416 3.191 0 1 FGAF Nc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1N 586997230 BDMIVHHKLBADIG-OWOJBTEDSA-N 373.210 3.389 0 1 FGAF COCn1ncc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582058 NLOQNDPZBXUZPZ-JXFKEZNVSA-N 366.373 3.204 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3cn[nH]c3cc2[nH]1 586984056 NAUHVXWVWHCALJ-GFCCVEGCSA-N 356.227 3.444 0 1 FGAF N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]1c1ccccc1F 587157846 UGTVACCJZUPSDV-HXPMCKFVSA-N 351.360 3.368 0 1 FGAF CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929547 VHIQMMQJFIXLTF-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF COc1ccc2c(c1)C[C@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)CC2 587946763 NAWSQCGPBZBTKF-CYBMUJFWSA-N 356.447 3.248 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccn4)C[C@H]1C)[C@@H](C2)C3=O 587434588 BIECWJXXONNYNM-JVJLVOBOSA-N 364.445 3.118 0 1 FGAF Cc1cnn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587579983 GGXLAGGOZHHHEP-PXNSSMCTSA-N 350.374 3.318 0 1 FGAF Cc1ccn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587579277 CZUVMUCZDVGZAN-FXAWDEMLSA-N 350.374 3.318 0 1 FGAF O=C(c1cccc(OC(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587651708 OGDHKKIYXCOBLZ-UHFFFAOYSA-N 350.708 3.340 0 1 FGAF Cn1c(Cl)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552459 ROXDLURRRSXUGN-RHSMWYFYSA-N 356.765 3.482 0 1 FGAF COC(=O)[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586991515 KSIZKJNDTQXZOO-NSHDSACASA-N 359.381 3.430 0 1 FGAF CCOC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738566 BHJDSPZYLDIJAK-AFEMSUNCSA-N 373.222 3.036 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3ccnc(Cl)c3[nH]2)CCC(O)CC1 587237514 RQSNQVHGRPOBJR-UHFFFAOYSA-N 366.849 3.266 0 1 FGAF O=C(O)/C=C/C=C\c1nc2c(Br)ncc(Br)c2[nH]1 587965847 PVMYZKLTIBBCMC-HSFFGMMNSA-N 373.004 3.137 0 1 FGAF CN(C)CCOc1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587255069 XJZKDUVAPMZINA-UHFFFAOYSA-N 374.448 3.040 0 1 FGAF COc1cc(C)ccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652422 RQTJIHGKBURYHR-UHFFFAOYSA-N 358.781 3.086 0 1 FGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)c1ccccc1-c1c(O)cccc12 962910960 XVDBLRGYPZHIKL-PGRDOPGGSA-N 361.372 3.403 0 1 FGAF COC(=O)c1ccc(OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 219707462 BMADSZCMFILSKD-CQSZACIVSA-N 365.426 3.224 0 1 FGAF biogenic CC[C@@H]1CCCCN1C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 11873019 JFLBVZMQMRZJRG-OAHLLOKOSA-N 371.437 3.113 0 1 FGAF COC(=O)c1c[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O 1857555718 MDYLKNFBJHXYDI-UHFFFAOYSA-N 353.374 3.081 0 1 FGAF Cn1cc(-c2cccc(O)c2)c2c(N[C@H](CO)c3ccccc3)ncnc21 1857635801 XDNUYIBNDRZTFH-GOSISDBHSA-N 360.417 3.486 0 1 FGAF OC[C@H](NCCc1ccc(Cl)cc1)c1ccc(O)c2nc(O)ccc12 1857649263 ZYGCRSBMTNWJJQ-INIZCTEOSA-N 358.825 3.165 0 1 FGAF CC1(C)N=C(NC(=O)NC(=O)c2ccccc2Cl)N(c2ccccc2)O1 1048728 QEPJJIHQCYTXGA-UHFFFAOYSA-N 372.812 3.323 0 1 FGAF COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21 4238280 NYDOMLNTYOHISW-UHFFFAOYSA-N 374.400 3.292 0 1 FGAF Cc1nnsc1C1=NN[C@H]2SC(c3c(Cl)cccc3Cl)=NN12 103216884 XOMWIQOMRWRAHN-GFCCVEGCSA-N 371.278 3.112 0 1 FGAF Cc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(C)c3)n2)cc1 55133816 DTGFSDRGDRSISF-UHFFFAOYSA-N 360.461 3.088 0 1 FGAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937743 KHGDILJGZLKKBP-PZJWPPBQSA-N 358.432 3.151 0 1 FGAF O=C(OCC(F)F)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@@H]1O 66058955 ZCNRJTCARJCSHT-AKOCFDCFSA-N 366.404 3.254 0 1 FGAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccc3)CC1)OCC2 27891706 BJKMQZFKPUMEIQ-QFIPXVFZSA-N 368.477 3.140 0 1 FGAF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(O)cc2)c(OC)c1 28965811 OFNAWGSEZYGKMN-CMDGGOBGSA-N 364.419 3.004 0 1 FGAF N#Cc1cccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)c1 117588940 CWUZWQBWGKJOGS-UHFFFAOYSA-N 350.422 3.069 0 1 FGAF O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72124283 JPYVBVVKXIDCLD-UHFFFAOYSA-N 371.393 3.297 0 1 FGAF COCCN(CCOC)Cc1coc(-c2ccccc2Br)n1 72100874 VYHXHLGMECZYTN-UHFFFAOYSA-N 369.259 3.199 0 1 FGAF COCCn1c(C(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179681 OKWBKCPHBPNMKC-UHFFFAOYSA-N 357.433 3.390 0 1 FGAF Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1 142921068 TVYVZWIKIVBHHO-SIKLNZKXSA-N 374.444 3.464 0 1 FGAF Cc1ccccc1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1 230558726 ZRFUMSLMGVXGCY-UHFFFAOYSA-N 360.461 3.104 0 1 FGAF CC(=O)N1N=C(c2ccccc2Br)C[C@H]1c1ccc(O)c(N)c1 96934799 FQMLPINNAFIFDA-INIZCTEOSA-N 374.238 3.435 0 1 FGAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34 238787541 ZCEYOMXMDDYIQP-WGKOQXAXSA-N 360.450 3.082 0 1 FGAF COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)nc1Cl 261178398 VLRSKZGILZFQDL-GFCCVEGCSA-N 369.204 3.343 0 1 FGAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162749 KLDKRPGZCSJCEY-IFIJOSMWSA-N 374.387 3.441 0 1 FGAF CC1=CC(=O)[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]12CC[C@@](C)(CC(=O)O)O2 85695751 YKJKZQHYTCDZKN-JAZQRGJZSA-N 350.455 3.103 0 1 FGAF biogenic NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 653810120 YGQSRWNMPUCVQV-HNNXBMFYSA-N 373.459 3.344 0 1 FGAF CCOC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738568 BHJDSPZYLDIJAK-MIUALZABSA-N 373.222 3.036 0 1 FGAF Nc1ccc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587251179 AXPOFYLPHMLZIE-FLIBITNWSA-N 358.405 3.375 0 1 FGAF O=C(O)/C=C/C=C/c1nc2c(Br)ncc(Br)c2[nH]1 587965853 PVMYZKLTIBBCMC-ZPUQHVIOSA-N 373.004 3.137 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3CCN(CC3)C2)N1 587795544 YEHSATUUTCTLPG-GTNSWQLSSA-N 353.279 3.433 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCN(C)CC3)c1)O2 587397928 COCJVWNRCBFZFW-FQEVSTJZSA-N 351.450 3.036 0 1 FGAF COC(=O)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596957 XSGHXHXTTQWRBC-QKAVXHIFSA-N 368.385 3.456 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1CCN(CC1)C2 587588086 JINLGONGUUDDOP-RXVVDRJESA-N 351.402 3.208 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc3c(c2[nH]1)CCCC3 586949014 OOSCHRQFIPMWEB-UHFFFAOYSA-N 355.463 3.404 0 1 FGAF CC[C@H](C(C)=O)[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962677503 ZXWFNNGXHUNZPT-HBGVWJBISA-N 354.450 3.164 0 1 FGAF CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c12 1772593283 BDTWMVDSGXDQBF-BZNIZROVSA-N 352.228 3.169 0 1 FGAF CC(C)Cn1c(=O)n(C)c(=O)c2cc(NCc3ccccc3F)ccc21 13603207 YBBLVXLIRUXKAC-UHFFFAOYSA-N 355.413 3.107 0 1 FGAF COc1c(C)cc2c(C(=O)N(C)CC(=O)O)cccc2c1Br 13823601 VWEUIZHTDVEMFN-UHFFFAOYSA-N 366.211 3.076 0 1 FGAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccc(F)cc1 15937337 JAIAYPIOPGEBSY-SFHVURJKSA-N 355.475 3.327 0 3 FGAF CO[P@@](=O)(CC(=O)O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 200550581 GMFAYEGNLKWRNN-BSEYFRJRSA-N 357.343 3.294 0 3 FGAF Cc1ccc(CNC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857639314 HKQGQAOEAPANAK-HNNXBMFYSA-N 363.461 3.259 0 1 FGAF O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 53250445 PLVMEOKOYUKQTG-UHFFFAOYSA-N 373.478 3.183 0 1 FGAF CCOC(=O)C1(CC2CC2)CCN(Cc2cnc(N(C)C)s2)CC1 59782035 RLUJZVMGWKUAMR-UHFFFAOYSA-N 351.516 3.155 0 3 FGAF O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCN1C/C=C/c1ccccc1 103275042 JMHXLQAHRXFNAM-SAYRFQENSA-N 365.429 3.053 0 1 FGAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356300818 SNCOCXJKZADMMK-SNRMKQJTSA-N 358.507 3.239 0 1 FGAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N(C)Cc1cccnc1 2356304688 AJBVNPKYCVMBII-GFCCVEGCSA-N 355.369 3.201 0 1 FGAF O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F 63298342 JIFGOPCFXJIPNK-SFHVURJKSA-N 350.393 3.221 0 1 FGAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)[C@@H](O)C[C@@]54C)[C@@H]2CC[C@@H]13 2356580397 QHMLSDSMAKJEBA-PHRFQMFLSA-N 373.537 3.392 0 1 FGAF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)[C@@H](O)C[C@@]54C)[C@@H]2CC[C@@H]13 2356580399 QHMLSDSMAKJEBA-YGKMCGTJSA-N 373.537 3.392 0 1 FGAF CC(C)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1cc(F)ccc1c2=O 36389163 LZDRRDSMIDPCJH-INIZCTEOSA-N 351.381 3.355 0 3 FGAF COc1ccc(OC)c(S(=O)(=O)Nc2c(O)ccc3ccccc23)c1 70725543 OBTDLEZTLKOMEI-UHFFFAOYSA-N 359.403 3.363 0 1 FGAF COCc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 44460338 OWJLLMXRMBEWIM-UHFFFAOYSA-N 360.417 3.147 0 1 FGAF in-vitro COC(=O)c1[nH]c2ccc(OC)cc2c1Cc1cc(O)c(OC)c(OC)c1 45258424 LOZMIQDTBHODLQ-UHFFFAOYSA-N 371.389 3.277 0 1 FGAF NCCNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 141996828 OCODNUMUVSCWSG-UHFFFAOYSA-N 361.445 3.360 0 1 FGAF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21C=C(N)N(C)O1 146790259 ZDSBZIIUGHFAOZ-HXJXPZHGSA-N 364.489 3.452 0 1 FGAF COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1O 95912247 MDPGNZKUNMANMP-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro COc1ccc(-[n+]2noc(O)c2CNc2nc3ccc(F)cc3s2)cc1 98085109 MLLUAQQFGGNNAU-UHFFFAOYSA-O 373.389 3.026 0 1 FGAF CC(=O)Nc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1 653856968 BACOSPUGMHOGST-UHFFFAOYSA-N 352.379 3.227 0 1 FGAF COc1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113296 PCHIFRWVYPQMQR-UHFFFAOYSA-N 374.326 3.292 0 1 FGAF Cc1cc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Br 586977110 NNQNIGFQULHMSL-UHFFFAOYSA-N 352.623 3.032 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586985066 YCDLQZDIMGCIEH-JTQLQIEISA-N 372.226 3.150 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(COC(C)=O)cs1)[C@@H](C2)C3=O 587453862 UZEAJQCXZQWIKV-LIRRHRJNSA-N 358.415 3.483 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(N)cc(O)n1 587859216 CZPDUZCYFCFXPO-UHFFFAOYSA-N 366.208 3.323 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c4nc(O)ccc14)[C@@H](C2)C3=O 587435916 KFSUKCUFGYZWHT-LHSJRXKWSA-N 363.369 3.317 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4)nc1F)[C@@H](C2)C3=O 587427551 JLJOSYPKUJKPTL-BTYIYWSLSA-N 368.408 3.492 0 1 FGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(Cl)c3[nH]2)cc1 586926374 OQPAKANWHOCRPC-UHFFFAOYSA-N 362.838 3.435 0 1 FGAF OCCN1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 587213635 YHZFNZZCRBCPRN-UHFFFAOYSA-N 359.473 3.115 0 1 FGAF O=S(=O)(c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1)C(F)(F)F 587141129 XPLQGXSSSGWKET-UHFFFAOYSA-N 374.315 3.155 0 1 FGAF COC(=O)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1OC 587109102 SDQHBKUGLNCALV-UHFFFAOYSA-N 351.284 3.439 0 1 FGAF COC(=O)[C@]1(/C=C(\C)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587806989 KLIZHIBCSONXJA-ILPFBAAHSA-N 372.234 3.041 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCN3CCC[C@@H]32)N1 963188996 UYWJAQVQUXQDHJ-OZVIIMIRSA-N 374.790 3.021 0 1 FGAF COc1ccc(C)c2c1NC(=O)[C@]21c2c(F)cccc2C[C@H]2CCCN21 963116390 WSFMGYODFJGMQL-SPLOXXLWSA-N 352.409 3.359 0 1 FGAF Cc1nc2c(o1)CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 169708413 KZRCAELXRNRAEC-WHCBVINPSA-N 351.422 3.151 0 1 FGAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCCCC2)no1 205502594 MLWBJAJPKGWDSO-AWEZNQCLSA-N 362.474 3.371 0 1 FGAF Cc1n[nH]c(C)c1-c1nc2cnccc2c(=NC(C)(C)C(F)(F)F)[nH]1 1857553125 CELWQJHESXUCFF-UHFFFAOYSA-N 350.348 3.206 0 1 FGAF CN(C)Cc1ccc2c(-c3cc[nH]c(=N)n3)c(-c3ccc(F)cc3)nn2c1 1857564080 BEZGJHQKNMNRMH-UHFFFAOYSA-N 362.412 3.072 0 1 FGAF O=C(N[C@H]1C(=O)Nc2ccccc2[C@@H]2CCCN21)OCc1ccccc1 1857582626 SJDRFQMMNORPQD-ZWKOTPCHSA-N 351.406 3.028 0 1 FGAF CN(C)S(=O)(=O)c1ccc(CCCc2nc(-c3ccccc3)no2)cc1 1857750798 NGZVTCQFDPUKIK-UHFFFAOYSA-N 371.462 3.162 0 1 FGAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N(C)C3CCCCC3)cc2N1C1CC1 1857761447 DWTTURGOZMHKAI-AWEZNQCLSA-N 355.482 3.425 0 1 FGAF CCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204824 NBTTXTORWPUYNU-IUODEOHRSA-N 368.865 3.337 0 1 FGAF COc1ccc(Sc2ccccc2N2CCN(CC(=O)O)C[C@@H]2C)cc1 28340440 PGAKBYJCYULAFF-HNNXBMFYSA-N 372.490 3.442 0 1 FGAF O=c1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1-c1cccc(Cl)c1 104151905 UFTVAKZXWSKPOG-UHFFFAOYSA-N 373.199 3.123 0 3 FGAF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23O4 100036612 KHRSDHBNJFBBLC-MPADBBEOSA-N 356.466 3.344 0 1 FGAF CNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)s1 23379681 HRLDECLODOCEJQ-GFCCVEGCSA-N 363.508 3.087 0 1 FGAF CCN(CC)CCCCN1C(=O)C[C@@]2(CCCc3ccc(OC)cc32)C1=O 27563444 IPIQKBIKYLVUPY-JOCHJYFZSA-N 372.509 3.150 0 1 FGAF NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 29564750 QRPRTIQUWZCYNG-UHFFFAOYSA-N 367.472 3.059 0 1 FGAF Cc1cc(C)cc(OC[C@@H](O)CCN2CCN(c3ccccc3)CC2)c1 29486265 KFTWLHKYTNCMQG-NRFANRHFSA-N 354.494 3.255 0 1 FGAF O=C1c2ccccc2[C@](O)(c2ccc3cn[nH]c3c2)N1Cc1ccccc1 116257291 OYISWWNIAMMJSR-JOCHJYFZSA-N 355.397 3.412 0 1 FGAF CC(C)=CCc1cc(C[C@]2(O)OC(=O)C=C2c2ccc(O)cc2)ccc1O 2356720734 IBLCTZODOHIUCU-QFIPXVFZSA-N 366.413 3.478 0 1 FGAF CC(C)CCNC(=O)[C@H](CC(C)C)N/C=C1\C(=O)N(C)c2ccccc21 66112759 HYPZLFRKPAWRAY-FDWYHIAWSA-N 357.498 3.171 0 1 FGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12 33820088 IZFXCOQJZCTIAK-UHFFFAOYSA-N 372.424 3.007 0 1 FGAF N[C@@H](CCCCCC(=O)c1ccon1)c1cnn(-c2ccc(F)cc2)n1 1911581144 IOAQGGPWYTVPJM-HNNXBMFYSA-N 357.389 3.228 0 1 FGAF O=C(OCC1=CCN2CC[C@@H](OC(=O)c3ccccc3)[C@H]12)c1ccccc1 14724084 IGBMRHIQTHTGIJ-UXHICEINSA-N 363.413 3.083 0 1 FGAF biogenic Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220201340 GXKIVKDALCGWBS-KRWDZBQOSA-N 368.824 3.128 0 1 FGAF COC(=O)C1=C[C@@H](O)C[C@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 238738879 OEIVLTVYSSPDHE-CLHXGTDGSA-N 374.433 3.170 0 1 FGAF O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(F)cc(F)c1 95588889 BFWFWBSTVNEFML-QPJJXVBHSA-N 354.356 3.050 0 1 FGAF COc1ccc(Cn2cc(C(=O)N(C)C)c(=O)c3c(F)ccc(F)c32)cc1 96906844 LDPQJJBFXMFVKO-UHFFFAOYSA-N 372.371 3.038 0 1 FGAF COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CO)c(C(C)=O)c1 254036039 VZCQXKQDISUSLN-NRSPTQNISA-N 354.402 3.334 0 1 FGAF NC(CO)(CO)CCc1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1 299838297 UMHYZYYHLRVRPZ-UHFFFAOYSA-N 372.852 3.277 0 1 FGAF CC(C)CNCc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 473235135 NNVXOWXPAWKTTO-UHFFFAOYSA-N 350.365 3.058 0 1 FGAF Oc1nc2sccc2c(N[C@H]2CCNC2)c1-c1nc2ccccc2[nH]1 299833488 YGJNBROANRKOFK-JTQLQIEISA-N 351.435 3.319 0 1 FGAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587131126 YSUNJRGUTYYJHB-UHFFFAOYSA-N 367.377 3.082 0 1 FGAF NC(=O)c1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587613175 MNZKEQZCCLESFR-YJBOKZPZSA-N 367.382 3.256 0 1 FGAF N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(Br)cc1 586998034 WNIALGXZCDNWOE-SECBINFHSA-N 352.623 3.011 0 1 FGAF O=S(=O)(c1ncccc1-c1nc2c(F)cc(F)cc2[nH]1)C(F)(F)F 587127369 RKXXZPZWVWSHPB-UHFFFAOYSA-N 363.267 3.197 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cnn(C)c2)N1 587761166 SSIYOCWTPJTROG-QLJPJBMISA-N 352.251 3.314 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1S(C)(=O)=O)O2 587411273 YWLYCVVMUGIIAZ-HNNXBMFYSA-N 365.838 3.341 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CC(=O)O)N1 587751873 BFONJCAEPAGKDY-FVMDXXJSSA-N 367.218 3.098 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc2n[nH]c(C)c2c1 587872027 HEJLTQFJYOSDBV-UHFFFAOYSA-N 365.368 3.356 0 1 FGAF COC[C@@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833709 HNPBSEHFTKPZBL-DIFFPNOSSA-N 372.278 3.391 0 1 FGAF CC1=C(c2ccc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3c2)NNC(=O)C1 587177391 HEUUOZNXDMISEO-UHFFFAOYSA-N 362.368 3.001 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587232421 WYEZRHLLEIZPOG-VHSXEESVSA-N 371.268 3.301 0 1 FGAF CCOC(=O)[C@@H]1CCOCC[C@@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962953096 PSLKGMSGXYSYLM-XXHMAFKTSA-N 356.466 3.277 0 1 FGAF C[C@@]1(c2cnns2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957885 PUMIQZKZMCMHJN-HNNXBMFYSA-N 369.412 3.472 0 1 FGAF Nc1cc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)ccc1F 1772655832 NAOHYIQSGMQVSJ-UHFFFAOYSA-N 360.396 3.137 0 1 FGAF CC(C)Cn1c(=O)n(C)c(=O)c2cc3c(cc21)O[C@](C)(c1ccccc1)O3 13603223 JDHMZYUFAFQDEK-OAQYLSRUSA-N 366.417 3.000 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCC(=O)O 169622175 VRHOOVVYFPUEHK-BXGMEBJPSA-N 352.471 3.251 0 1 FGAF COc1ccc(N=c2[nH]c3nonc3nc2Nc2ccccc2F)cc1 1857539472 XDBFXRDPIFOEEH-UHFFFAOYSA-N 352.329 3.070 0 1 FGAF CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C1=C1OC(=O)C(C)=C1[C@H]2OC(=O)C(C)C 2356417788 LTPAHBQBRCYXSN-UZCKVDRLSA-N 362.422 3.063 0 1 FGAF CCN(CC)c1ccc(NC(=O)c2nnc(-c3ccccc3N)o2)cc1 53119499 SAGRMOOWMWXDDW-UHFFFAOYSA-N 351.410 3.417 0 1 FGAF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 26824045 KHRSDHBNJFBBLC-QDTIDGEISA-N 356.466 3.344 0 1 FGAF O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NC1CCCCC1 101878899 MYAXSJJYGWTKEY-UHFFFAOYSA-N 351.497 3.350 0 1 FGAF COc1c(C)c2c(c(N)c1C/C=C1\CCC[C@H]1[C@H](C)C(=O)O)C(=O)OC2 26744836 QDSHPKRSXSWYQZ-HODSQTJBSA-N 359.422 3.246 0 1 FGAF CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1 21289447 ANRWHDLTBMMQJD-UHFFFAOYSA-N 367.409 3.038 0 1 FGAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](CC(C)C)NC(=O)c1cccnc1-3 61921411 TZVRMHQGBUZPQM-MRXNPFEDSA-N 362.433 3.228 0 3 FGAF OCCOc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)c1 114337632 UDCBPDAHRGAKOJ-UHFFFAOYSA-N 366.465 3.011 0 1 FGAF O=C(Nc1ccc(OCCCc2nnn[nH]2)cc1)c1ccc2ccccc2n1 28219091 AAZDUNMMPRHNKU-UHFFFAOYSA-N 374.404 3.012 0 1 FGAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCCC3)CC(=O)N21 6202265 WUICPVVSJMZWBM-GOSISDBHSA-N 365.477 3.331 0 1 FGAF biogenic Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(C)s3)CC2)nc1 43204881 ZZDRHLBYZSFGIZ-UHFFFAOYSA-N 361.486 3.494 0 1 FGAF COc1ccc(-c2oc3c(OC)c(O)c(C)c(O)c3c(=O)c2OC)cc1 14647619 DHSCVAVYIOQFMP-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic COc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 14648177 UZKPAEYMUOTYEF-SLFFLAALSA-N 372.417 3.143 0 1 FGAF biogenic O=C(N[C@@H](CO)Cc1ccccc1)c1csc(Nc2ccccc2)n1 82075554 LMYLTKVOADWQDT-MRXNPFEDSA-N 353.447 3.220 0 1 FGAF O=C(Oc1ccccc1N1CCOCC1)c1coc(-c2ccccc2)n1 95560821 JHBDJCSEKHUPTH-UHFFFAOYSA-N 350.374 3.397 0 1 FGAF CC(C)(C)Nc1nc(Nc2ccc3c(c2)CS(=O)(=O)C3)nc2[nH]ccc12 145754222 HNKZXYLSBQBGNK-UHFFFAOYSA-N 371.466 3.340 0 1 FGAF CC(C)n1nc([C@@H](O)c2cccc(Cl)c2Cl)c2c(N)ncnc21 95582692 IBJQIGCACUEGRG-ZDUSSCGKSA-N 352.225 3.378 0 1 FGAF O=C(O)c1ccc(-n2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cn2)cc1 95574476 UTFOVDDUIJFPBM-UHFFFAOYSA-N 365.433 3.125 0 1 FGAF COC(=O)[C@@]1(/C=C(\C)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587803798 BXTBRXXDIHUIKB-SGXVIWNTSA-N 372.234 3.041 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc(O)nc1S)CC2=O 587492219 NRKMQFWDDHHATQ-SFHVURJKSA-N 360.435 3.318 0 1 FGAF COCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440652 HMRYWGBKIZNGNI-DYESRHJHSA-N 354.402 3.383 0 1 FGAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587962349 HWOXLOWQLNBESR-IUCAKERBSA-N 360.357 3.014 0 1 FGAF Nc1ncc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551952 LOMPJDYXSYUTBM-DYVFJYSZSA-N 369.764 3.121 0 1 FGAF O=C(O)C[C@H](O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888558 IOUOTOZDKZPOIW-LLVKDONJSA-N 353.403 3.218 0 1 FGAF Fc1cc2c(c(Cc3nc4cc(-n5cccn5)c(F)cc4[nH]3)c1)OCOC2 587171911 VIUFRJPENFBGFL-UHFFFAOYSA-N 368.343 3.484 0 1 FGAF CCCCS(=O)(=O)N[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)C(C)C 586933697 WKQBOERRWHJWAN-SNVBAGLBSA-N 362.858 3.167 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(OC)cc21 587478498 AXQAWJCXMBFCDJ-NRFANRHFSA-N 367.401 3.475 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587400067 OVNORJYBMVENQJ-GFOFROLCSA-N 358.438 3.024 0 1 FGAF COc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 587042181 IUVRNQFZYZLMFS-LBPRGKRZSA-N 360.826 3.275 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)ncnc3[nH]2)cs1 587019431 MRLGXPXLIZRAFG-UHFFFAOYSA-N 366.834 3.401 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cncc2-3)N1 587802547 MSORYVXDGZZDDG-ANRSDYALSA-N 361.218 3.435 0 1 FGAF CC(=O)SCc1cc(O)n(NCc2ccccc2Br)c1O 587942132 ZZGOFGGSYSNXPS-UHFFFAOYSA-N 371.256 3.185 0 1 FGAF Cc1csc(SCc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)n1 587021047 HFIBIXWHKQXPMS-UHFFFAOYSA-N 371.447 3.488 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC1OCCO1)O2 587407639 DHDMPJCEMIDICU-SFHVURJKSA-N 355.390 3.035 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)ncc12 1772651785 ZAUGNPXUHCZFDH-NVXWUHKLSA-N 367.409 3.008 0 1 FGAF COc1ccc(-c2nn(C)cc2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772638866 BPCBWOISZZNGQU-UHFFFAOYSA-N 370.405 3.494 0 1 FGAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)N2 169363920 NPUPASYITYXDSJ-KNCOVGOOSA-N 369.246 3.494 0 1 FGAF COc1ccc2c(c1)c1c(O)oc(=O)nc1n2CCCc1ccccc1 169721484 YDOGSRJPEFAKDF-UHFFFAOYSA-N 350.374 3.490 0 1 FGAF O=C(NC1CCCC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166911934 GRKCUIQVKUTEAY-UHFFFAOYSA-N 350.422 3.302 0 1 FGAF CCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1OCCOc1ccccc1 1857555440 ZNKRTOHNQYGXHZ-UHFFFAOYSA-N 367.401 3.335 0 1 FGAF O=C(CSc1nc(O)c2ccccc2n1)N[C@@H]1CCc2ccccc2C1 1857747871 HUNKUAZFJMDUPO-OAHLLOKOSA-N 365.458 3.101 0 1 FGAF CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760319 SZZBUHPYJPMOLX-AEFFLSMTSA-N 374.481 3.018 0 1 FGAF O=C(O)C[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356417547 DZCKAXTWCUFDEX-CVEARBPZSA-N 369.465 3.235 0 1 FGAF CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 4991402 AHZSDSQIBCQUBH-GOSISDBHSA-N 357.498 3.198 0 3 FGAF CCc1nc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cs1 26576946 HLQQXTPRVGKAGG-CQSZACIVSA-N 362.476 3.221 0 1 FGAF O[C@H]1CCCC[C@@H]1N1CCC(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 28234880 IJSVCSABISGUBT-LRSLUSHPSA-N 364.574 3.017 0 1 FGAF CCc1cc(CC)c(C(=O)C[C@@H](SCC(=O)O)C(=O)O)c(CC)c1 28476279 VPWVHPRCVVRQET-OAHLLOKOSA-N 352.452 3.218 0 1 FGAF COC(=O)[C@@H]1[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]2CC[C@H]3C[C@@]12CC3=O 2356566910 YUKCRNRLXCLKOH-XPXQTIOFSA-N 362.466 3.150 0 1 FGAF CCCCC[C@H](O)C=C[C@@H](O)[C@@H](O)CC=CCC=CCCCC(=O)O 2356587571 PRMWQIVYOYCJQC-GBESFXJTSA-N 354.487 3.353 0 1 FGAF CCc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28522073 UNNQWQRXADADDG-UHFFFAOYSA-N 354.431 3.259 0 1 FGAF O=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2ccc(F)nc2)cc1-3 72108508 FYDPOCATTVYCMF-UHFFFAOYSA-N 360.392 3.151 0 1 FGAF Brc1ncnc2c1ncn2C[C@H]1CSc2ccccc2O1 72179361 HLJSNAWJEGDOPN-VIFPVBQESA-N 363.240 3.142 0 1 FGAF C[C@H]1CN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CCN1 223685360 PRQNIUDXTRVWKB-ZDUSSCGKSA-N 365.506 3.430 0 1 FGAF CN1OC[C@@H]2CN(C(=O)C(C)(C)C)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 199387711 PLFHMJNMPPFLDY-WDSOQIARSA-N 368.481 3.054 0 3 FGAF COc1ccc(CCNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1 82203916 KOAWXKZITCQDMQ-HOTGVXAUSA-N 356.470 3.062 0 1 FGAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@]1(C)C(=O)NC1CCCCC1 199397677 HRUGYAILEWTDMD-HXUWFJFHSA-N 360.502 3.052 0 3 FGAF C/C=C(/CC)c1c(O)cc2c(c1O)[C@H](O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 238734713 LNOFDVSWGARPID-ZGQPTZKZSA-N 358.390 3.145 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=C[C@H](O)[C@H]12 257475565 LOUCJBIZSPLEFL-OIFACXJMSA-N 372.505 3.380 0 1 FGAF endogenous,in-man COc1ccc(C[C@@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)cc1 43075056 OQPMMZXQSPMSJV-HXUWFJFHSA-N 356.418 3.401 0 1 FGAF biogenic COc1cc(/C=C\C(=O)OCCc2ccc(OC)c(OC)c2)ccc1O 653912104 BMIUNMVIHWNVOI-TWGQIWQCSA-N 358.390 3.217 0 1 FGAF CC[C@]1(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)CC(=O)c2ccccc2C1 587962125 VBPQYVPUSQSYPR-OAQYLSRUSA-N 372.432 3.307 0 1 FGAF O=Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276277 LFTMQNZYIQIEAA-UHFFFAOYSA-N 360.163 3.126 0 1 FGAF CCn1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587370573 GLOZKHMXMRSBQK-CYBMUJFWSA-N 350.216 3.263 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC[C@H]4CO4)c1)[C@@H](C2)C3=O 587455075 IKGQWZKWBYOXLB-FIKGOQFSSA-N 352.386 3.136 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccnc1Cl)[C@@H](C2)C3=O 587421145 NWCWVLYREZDIRS-HXPMCKFVSA-N 372.808 3.279 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1C[C@H]1C(=O)O)[C@@H](C2)C3=O 587453415 YWQAACFKJICFJE-YUWJWYLASA-N 350.370 3.059 0 1 FGAF COc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202535 JCWYTIJDGNPQLX-MRXNPFEDSA-N 369.377 3.014 0 1 FGAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O 587401848 ZDIVWHQKGICNEN-FQEVSTJZSA-N 355.390 3.392 0 1 FGAF CCCc1nc(-c2nc3c(C(N)=O)cccc3[nH]2)nn1-c1ccccc1F 587155789 HHCWAGGIDJHSKJ-UHFFFAOYSA-N 364.384 3.001 0 1 FGAF COc1nccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224381 SBKWZYHODPEOMV-QGZVFWFLSA-N 358.401 3.486 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]c4cnc(Cl)cc34)c3cccc1c32 963029250 NDDDVWXAFLYVKG-OVWNDWIMSA-N 352.825 3.359 0 1 FGAF Cc1cccnc1-n1cccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963019080 DPNQSQDCQGGVSA-BTYIYWSLSA-N 358.445 3.323 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)OC 6203544 WNBMQMMGBBWUOZ-YEMUNILXSA-N 366.498 3.340 0 1 FGAF CCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1 1857548017 FKQLYZIZEXQATB-UHFFFAOYSA-N 361.486 3.138 0 1 FGAF O=C(O)CCn1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 3988149 GYTCJTUMBCVRAA-UHFFFAOYSA-N 365.433 3.491 0 1 FGAF Cc1nnc2c(Nc3ccccc3N3CCOCC3)nc3ccccc3n12 6786224 KGOSYQYOUBQURH-UHFFFAOYSA-N 360.421 3.166 0 1 FGAF Cc1nc(-n2ccc(C3CC3)cc2=O)sc1C(=O)NCc1ccccc1 103230901 HRSBVCJITWRGQF-UHFFFAOYSA-N 365.458 3.410 0 1 FGAF CC(=O)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]3CC[C@]12C 2356431226 HPRROXHWAYOSLI-PPYAEWONSA-N 350.499 3.293 0 1 FGAF CCCOC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66077181 MGTIWMFBZJMEHE-UHFFFAOYSA-N 374.890 3.377 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(CO)CC[C@H]12 26579548 RPRXLTUVIHBKHI-WMQCIHAUSA-N 362.466 3.318 0 1 FGAF N=C(N)c1ccc(-c2ccc(-c3cn4cc(C(=N)N)ccc4n3)cc2)cc1 27193830 OTQBRWYINPWMAY-UHFFFAOYSA-N 354.417 3.236 0 1 FGAF Cc1ccc(CNC(=O)/C=C2\C(=O)N(c3ccncc3)c3ccccc32)o1 34336502 RAZIAXVUHYHOPG-PDGQHHTCSA-N 359.385 3.361 0 1 FGAF O=C(O)CCC[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C/CCCCCO 33838783 PTJFJXLGRSTECQ-MULMTHEESA-N 352.471 3.131 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=C[C@H](O)[C@H]12 15048754 LOUCJBIZSPLEFL-WFYNEJIASA-N 372.505 3.380 0 1 FGAF biogenic CC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)[P@@](=O)(O)OC 38331331 KELMEUOQOYOCLB-GFCCVEGCSA-N 357.126 3.483 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2O/C(=C/CCCC(=O)O)C[C@@H]21 33838840 KAQKFAOMNZTLHT-CFEOEJQSSA-N 352.471 3.409 0 1 FGAF CCc1ccc(S(=O)(=O)N2CCC[C@](O)(c3ccccc3)CC2)cc1 43119760 BUVJJRPTSWXSAA-HXUWFJFHSA-N 359.491 3.311 0 1 FGAF in-vivo CCN(C)CCc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40860184 XOYDABHRJOIFTH-NRFANRHFSA-N 369.461 3.384 0 1 FGAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(C)cc32)c1 40380441 AMXDISGMDRRFBA-LJQANCHMSA-N 367.401 3.389 0 1 FGAF COCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82133205 BJVLVNUTQKDYHA-UHFFFAOYSA-N 368.481 3.464 0 1 FGAF CCOC(=O)Cc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[nH]1 140661201 QBHXKOJTJWVZKI-UHFFFAOYSA-N 365.368 3.260 0 1 FGAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=S)n2OCCO)c1 98084080 SSVGVDZCKFOIGG-UHFFFAOYSA-N 366.508 3.218 0 1 FGAF C[C@@H]1S[C@H](c2ccc(S(C)(=O)=O)cc2)N(Cc2ccccc2)C1=O 98084300 NLQDMVIWLORNET-SCLBCKFNSA-N 361.488 3.253 0 1 FGAF NC(=O)[C@@H]1CCC[C@@H](Nc2ncnc3ccc(-c4cncs4)cc23)C1 299852554 UPPIWUSHSPAOJF-CHWSQXEVSA-N 353.451 3.209 0 1 FGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(=O)OC)ncc2[nH]1 587927703 STIXXQRXWAUPLJ-LBPRGKRZSA-N 355.394 3.304 0 1 FGAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586893426 VYZAERXGZHPEAC-LBPRGKRZSA-N 359.254 3.399 0 1 FGAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587088811 SBRXGEGNCWGVFV-AWEZNQCLSA-N 362.424 3.145 0 1 FGAF Cc1cccc(NC(=O)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1C 587238954 JSFRIUCJZWYYDW-UHFFFAOYSA-N 350.422 3.063 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2O)N1 587773831 KCYCVYHIDSITFV-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(Cl)cc31)O2 587380081 QAOJHGXWXRYACB-IBGZPJMESA-N 371.776 3.452 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587430181 ZAZUYYFCXLUQOO-LQBOVUBWSA-N 367.420 3.425 0 1 FGAF COc1cc2c3c(c1)O[C@@H](Cc1c(Cl)ncnc1Cl)[C@@H](C2)C3=O 587420906 MYMNVAHZGLBXML-KOLCDFICSA-N 351.189 3.151 0 1 FGAF C[C@]1(c2ccc(O)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675159 WXSVSOGTTXTZTK-FCHUYYIVSA-N 362.429 3.303 0 1 FGAF Cc1cc2c(cc1O)[C@]1(CCCC[C@@H]1[C@@H]1CCCCCN1)N[C@H](C(=O)O)C2 963550162 KIPXDULDCKBHAW-PGVBMLAISA-N 372.509 3.217 0 1 FGAF C[C@]1(C[C@H]2CCCC(=O)N2)NC2(CC2)Cc2ccc(Br)cc21 961611847 DSNIAPOVRBMMPZ-RHSMWYFYSA-N 363.299 3.401 0 1 FGAF COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@H](O)CNC(C)(C)C)c1 1772585059 UDYKVELAKYBFEK-CQSZACIVSA-N 367.486 3.060 0 1 FGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C)n3)C2)cc1 1772572150 NUYQZBNQGGDLBF-KBXCAEBGSA-N 371.456 3.426 0 1 FGAF COc1cc(-c2ccc3c(c2)OCO3)cc2c1OCCN(C(=O)C1CC1)C2 1772609183 SHPWZESNAMOAFZ-UHFFFAOYSA-N 367.401 3.222 0 1 FGAF NCCCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 13589301 VRSUHNZDRAPKFD-MRXNPFEDSA-N 359.451 3.067 0 1 FGAF CSc1nn(-c2ccccc2)c2cc(NCCN3CCNCC3)ccc12 169706052 BGRCVRDPDMKCPM-UHFFFAOYSA-N 367.522 3.065 0 1 FGAF O=C(c1ccccc1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857618545 WWGCWYOBGRLVFI-HXUWFJFHSA-N 361.445 3.498 0 1 FGAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O 2356333797 WLBDPBPKMGZHHX-YTFSRNRJSA-N 366.505 3.322 0 1 FGAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356337453 ZCTSKBWACUAFIA-ROFZEKHPSA-N 366.457 3.401 0 1 FGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C[C@H](C)[C@@H](O)[C@@H](C)C(=O)OC 2356349893 PZMGZXATJGSIDQ-FGDFGSQYSA-N 370.530 3.377 0 1 FGAF CCN(CC)[C@@H](C)CCN1C(=O)C[C@]2(CCCc3cc(OC)ccc32)C1=O 27618159 SAKMFRUGJVRBKD-AOMKIAJQSA-N 372.509 3.149 0 1 FGAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1cccnc1 115646729 JVVDEAKIHWKYLT-JOCHJYFZSA-N 373.387 3.034 0 1 FGAF O=C1CC(=O)N([C@H]2C[C@H]3CC[C@@H]2C3)C(=O)N1CCc1ccc(Cl)cc1 101678179 AMRPDRKKGBUQSS-LZWOXQAQSA-N 360.841 3.252 0 1 FGAF CC(C)N1C[C@@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccco1 61920879 JZWCJWAFWXSKST-IBGZPJMESA-N 357.385 3.063 0 3 FGAF CCCn1c(=O)c2nc(/C(C)=C/c3ccccc3)[nH]c2n(CCC)c1=O 26403650 IWXKUXALKRWMSW-BUHFOSPRSA-N 352.438 3.267 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H](CCCCCCC[C@@H](O)CC(=O)O)CCN21 2356546148 BNVBPCHYPWGIAO-FVVUREQNSA-N 355.519 3.177 0 1 FGAF CO[C@]1(C)CC[C@@]23O[C@H]1C[C@]2(C)CC[C@@H]3[C@H](C)CO[C@@H]1CCC(=O)O1 2356684019 JZLCLJJMCZVNMU-KGUMHCDKSA-N 352.471 3.445 0 1 FGAF CC1=C2CC[C@](C)(O)CCC[C@@](C)(O)[C@H]3CC[C@@](C)(C[C@@H]2OC1=O)O3 2356849596 PXEMQPAVJBVDGS-GRLGQGAKSA-N 352.471 3.022 0 1 FGAF CCCC(=O)N1CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 198811738 JBXQFCKOCHXWRI-WOJBJXKFSA-N 351.402 3.355 0 1 FGAF Nc1ccc(-c2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c(F)n1 222337264 CPBODKOJHSDKCU-UHFFFAOYSA-N 373.391 3.299 0 1 FGAF CCC(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 95552756 RPFKNPSBXZWKHC-UHFFFAOYSA-N 358.313 3.422 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@H](c1cccc(F)c1)N1CCN(C)CC1 95603437 YZXYBTBCFQTDMP-FQEVSTJZSA-N 355.457 3.370 0 3 FGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(C4CC4)cn3)C2)cc1 261127464 KMWLDDVKNDYAOB-VBKZILBWSA-N 366.465 3.209 0 1 FGAF CCCCC[C@@H]1C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O1 38699102 PENUWXDRGVMHGY-WNRNVDISSA-N 372.502 3.266 0 1 FGAF biogenic COC(=O)[C@H]1[C@H]2CC[C@@H]3[C@@]45C[C@@H](c6ccoc6)O[C@@H]4O[C@@H](O2)[C@@]13CC[C@@H]5C 299815473 GRJSIUBKDJRQIL-JXOXXCBQSA-N 374.433 3.424 0 1 FGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(O)c2[nH]1 587093357 CSMJEYRFNBHNEC-RXMQYKEDSA-N 366.137 3.161 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587447428 RWTKZEXEWAEVMB-JTSKRJEESA-N 364.397 3.302 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCn2cncn2)N1 587762698 ZNJWDFKPXFSGFV-MEBBXXQBSA-N 353.239 3.019 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 586882354 OUDORWNXJIIJTJ-GOSISDBHSA-N 350.378 3.215 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccccn1)(c1ccccc1N)[C@@H](C2)C3=O 587431466 GHKUUNSMYZFIJA-KSFYIVLOSA-N 358.397 3.364 0 1 FGAF O=Cc1ccc(OCCc2nc3ccc(Br)c(O)c3[nH]2)cc1 587566522 QRPUKTIFMBUHCJ-UHFFFAOYSA-N 361.195 3.465 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cn1 587370001 AJMQRZIVYKNJSL-AWEZNQCLSA-N 363.211 3.450 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 587027009 OLCOEYNWJIAHTK-KKUMJFAQSA-N 367.478 3.441 0 1 FGAF Nc1cc(F)c(-c2nc3cccc(I)c3[nH]2)cc1N 587136529 GGWZOULPQNWKFB-UHFFFAOYSA-N 368.153 3.138 0 1 FGAF C[C@H](NC(=O)n1[nH]c(=N)nc1Nc1ccc(Cl)cc1)c1ccccc1 584905070 ZLOKMYYNNUNJBU-NSHDSACASA-N 356.817 3.407 0 1 FGAF in-vitro C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586962338 QJQKEJBLLJBQEN-ZCFIWIBFSA-N 371.344 3.393 0 1 FGAF O=C1C[C@](Cc2ccc(O)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587533644 SCRMWEIFLJLHBZ-OAQYLSRUSA-N 352.386 3.302 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806080 JBNHWLKBTACQLC-RDGWCUKFSA-N 356.235 3.291 0 1 FGAF FC(F)(F)c1nn(Cc2nc3cc4c(cc3[nH]2)OCO4)c2c1CCCC2 587120094 QQELBEGZEDFEST-UHFFFAOYSA-N 364.327 3.434 0 1 FGAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CC=C(c2cccc3c2OCCO3)CC1 13471798 YNZCMLKESCNHNS-TZIWHRDSSA-N 367.420 3.344 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2Cc1ccccc1 13779947 MFSFKJAYNZMHEN-FPOVZHCZSA-N 351.450 3.344 0 1 FGAF CC(=O)O[C@H]1C[C@H]2/C=C\CCC[C@H](C)OC(=O)/C=C\[C@@H](OC(C)=O)[C@@H]2C1 169305056 ILLPGJFSCLASDH-LALXYTQXSA-N 364.438 3.104 0 1 FGAF CC(C)(C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc[nH]2)c1 168785243 PYFQAORCBUJYTR-UHFFFAOYSA-N 350.369 3.262 0 1 FGAF NCc1cc(Oc2cccc3c2ccn3Cc2cccc(C(=O)O)c2)ncn1 1857604712 ZWLCPKDAJRIKMV-UHFFFAOYSA-N 374.400 3.429 0 1 FGAF O=c1[nH][nH]c2nc(CNCc3cccc(C(F)(F)F)c3)nc3cccc1c32 59275400 YEYMMWGQIVDEJH-UHFFFAOYSA-N 373.338 3.108 0 1 FGAF O=C1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C(=O)N1CCc1cccc(Cl)c1 101678199 DCCFYCBYFZNPGZ-IJEWVQPXSA-N 360.841 3.252 0 1 FGAF C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(C)CC1 22460593 NZBULCWDIOCSSQ-MAUKXSAKSA-N 358.511 3.247 0 3 FGAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H](O)CC=C2C[C@@H](OC2=O)[C@@H]1C(C)C 2356579842 FUUBZHATRHDAMW-PFPDTZPXSA-N 350.455 3.169 0 1 FGAF Cn1c(CN2CCC(CCC(=O)N3CCCC3)CC2)nc2ccccc21 39460938 UHICIRIPMKVHEQ-UHFFFAOYSA-N 354.498 3.188 0 1 FGAF Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(O)cc3O)cc2O)c1 14823541 RZJSMTAJLZUPCT-UHFFFAOYSA-N 374.301 3.210 0 1 FGAF biogenic COc1cc2c(cc1OC)C(=O)[C@@H](Cc1ccc(CN3CCCC3)cc1)O2 40915340 VVOAMVHBRFCOAQ-OAQYLSRUSA-N 367.445 3.486 0 1 FGAF C[C@@H](CC(=O)N1[C@@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 195505172 PGWOBVRIBXLYFJ-ZJOBFFGXSA-N 357.592 3.472 0 1 FGAF OC[C@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84617559 FSVJCNOLLRABCZ-YOHGGFGZSA-N 365.558 3.207 0 1 FGAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82195574 NDOTVLCSQSNYDE-ZDUSSCGKSA-N 371.384 3.163 0 1 FGAF Nc1nnc(-c2ccc3[nH]cc(-c4cnc(N5CCCC5)cn4)c3c2)s1 145435662 PZCSBWJSPSARQH-UHFFFAOYSA-N 363.450 3.326 0 1 FGAF NC(=O)c1cc(-c2cncnc2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144923859 XSISOLYWTABXLA-GOSISDBHSA-N 371.318 3.021 0 1 FGAF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 142310037 XZRWOSRMHWZVTH-HNNXBMFYSA-N 369.465 3.335 0 1 FGAF COC(=O)/C=C1/CN2[C@H]3CC[C@H]2[C@H]1[C@@H](c1ccc(Br)cc1)C3 253952366 ZMKPUZMPYBNAFS-ALLIAHJUSA-N 362.267 3.499 0 1 FGAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 587167290 LMKWPUCYHCESIC-GFCCVEGCSA-N 360.780 3.466 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CO)ccn2)N1 587770927 KRWYNYZMKYLTPA-ABKXIKBNSA-N 351.219 3.099 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)C)nc2)N1 587754016 ISBZGRWKDXJETD-VFZGTOFNSA-N 365.250 3.068 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587234010 VANJXYRJHSGOTK-YWPYICTPSA-N 359.430 3.447 0 1 FGAF CN(C)C(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166549 DLCWYLVFOLDMPV-KTKRTIGZSA-N 352.369 3.056 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587230518 HLULRFWQMKMLJK-BDAKNGLRSA-N 373.350 3.156 0 1 FGAF N[C@@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F 587157843 UGTVACCJZUPSDV-BLVKFPJESA-N 351.360 3.368 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587248792 DZIIAOZBOMFEBV-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CCOC(=O)c1cnn(C)c1[C@@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962953912 WRMLAZQGWLDOFI-KPZWWZAWSA-N 352.438 3.092 0 1 FGAF COc1cccc(C[C@@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963511867 VPJVLNNUXCBOOM-AVRDEDQJSA-N 367.445 3.156 0 1 FGAF CCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962897698 NATKYFJNJDQNLU-KXBFYZLASA-N 359.397 3.311 0 1 FGAF CC(=O)N1CCC[C@@H](Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)C1 1772578768 NKYHYTUGMZLDLI-CQSZACIVSA-N 371.462 3.285 0 1 FGAF C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 5127594 PLVFGRLYLUMVCM-TZSPXAHUSA-N 362.473 3.215 0 1 FGAF Cc1ccc(F)cc1CNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 12024142 LKDOIBMNSRLIOB-GOSISDBHSA-N 368.452 3.232 0 3 FGAF Cc1nn(C)c2ncc(C(N)=O)c(Nc3cccc(OC4CCCC4)c3)c12 13588202 LYKMHTAGZPMCMB-UHFFFAOYSA-N 365.437 3.441 0 1 FGAF CC[C@H]1OC(=O)C[C@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)[C@H](O)/C=C/C=C/[C@@H]1C 169660588 FREPAPPMSLOSTN-XSRVFPJRSA-N 366.498 3.050 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccc(F)cc2F)nn1 203462459 GEKPVARGWHUUIG-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)c1 1857597575 FIOVDAHINGWMRJ-UHFFFAOYSA-N 368.359 3.004 0 1 FGAF OC[C@H](NCCc1cccc(Cl)c1)c1ccc(O)c2nc(O)ccc12 1857770169 XTKAONDSNFRIOD-INIZCTEOSA-N 358.825 3.165 0 1 FGAF CCCOc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643258 NWVOTDQIZMJKRJ-HOTGVXAUSA-N 353.466 3.379 0 1 FGAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccc(C)cc1 66259265 JJYNQBZWIROMLA-IBGZPJMESA-N 356.447 3.096 0 1 FGAF NCCCCc1ccc(CCCCNC(=O)[C@@H](CN)c2ccccc2)s1 28652655 HKOLSPLEHGDCSR-FQEVSTJZSA-N 373.566 3.211 0 1 FGAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(=O)CO)cc2)cn1 116485262 FRHRKRYYSSROEE-OAHLLOKOSA-N 358.438 3.091 0 1 FGAF Cc1cnc2c(NCCNC=O)nc3cc(-c4ccccc4)sc3n12 28950747 GDQMOMYSFQEYNH-UHFFFAOYSA-N 351.435 3.077 0 1 FGAF CC(C)(O)C=Cc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 2356781470 IOJDDCZZTXEPMG-UHFFFAOYSA-N 370.357 3.067 0 1 FGAF CNC(=O)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 61959476 WMMNRPOZTLPSDW-UHFFFAOYSA-N 359.385 3.220 0 3 FGAF Cc1ccc(CN2CCC[C@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)cc1 2356865528 LAPADORAQJDPQX-SFHVURJKSA-N 364.473 3.267 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 64526803 UFBRQERFYMHTLN-XDNAFOTISA-N 361.438 3.462 0 1 FGAF OCCN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222888 DFNGZIPWXHTTPA-QGZVFWFLSA-N 353.441 3.395 0 1 FGAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 15148051 MMLLQMKYAANYJZ-CLWJZODNSA-N 352.471 3.252 0 1 FGAF biogenic COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2C)ccc1O 13400453 NDEQJXOUOQJARH-BTDLBPIBSA-N 370.357 3.417 0 1 FGAF biogenic CN1CCN(Cn2nc(Cc3cccc4ccccc34)oc2=S)CC1 49114687 GKEYANXOEJSFQJ-UHFFFAOYSA-N 354.479 3.154 0 1 FGAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1cccc(Cl)c1F 40836377 ZNEIZVAADDECTA-CQSZACIVSA-N 360.834 3.436 0 1 FGAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1C 95577665 GWWAWENWSRQRAM-QFIPXVFZSA-N 371.444 3.493 0 1 FGAF COc1ccc(OC)c(Sc2ccc3nnc(-c4ccncc4)n3n2)c1 299831303 OAACVCNPDITKNE-UHFFFAOYSA-N 365.418 3.355 0 1 FGAF CCOC(=O)/C(=C/I)[C@@H](O)c1ccccc1Cl 299830548 IOIAAHMENGXUPI-DJYGCBNOSA-N 366.582 3.255 0 1 FGAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1 653810121 YGQSRWNMPUCVQV-OAHLLOKOSA-N 373.459 3.344 0 1 FGAF CCOc1ccccc1CN1CCN(C(=O)COc2ccccc2C)CC1 653704648 ZEQFPYFFXLGTGT-UHFFFAOYSA-N 368.477 3.117 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587236120 SMADOENQIKSNNT-RQJHMYQMSA-N 362.149 3.194 0 1 FGAF C[C@]1(c2c[nH]c(=N)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330556 CAGLJYLASHOCKO-QFBILLFUSA-N 354.337 3.206 0 1 FGAF C[C@]1(c2cn3cccnc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590873 ZSGKCKLOQDDQNW-LAUBAEHRSA-N 373.368 3.312 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](C(C)=O)C(=O)OCC)CC2=O 587478817 HGRDVCDFCKXNNS-YWZLYKJASA-N 362.422 3.227 0 1 FGAF N=c1[nH]ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587018895 CCPWMPJLGICWHM-UHFFFAOYSA-N 365.422 3.062 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2c(C)ccnc2[nH]1)C(F)(F)F 587092396 LVRJUSINIAIQTN-MRXNPFEDSA-N 350.344 3.430 0 1 FGAF C[C@@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)C=C(c2ccccc2F)NO1 587155053 HOSROMPBKKTDMK-SFHVURJKSA-N 351.341 3.075 0 1 FGAF Cn1nnc(Br)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962659942 BNXJTWIIHSEKDU-INIZCTEOSA-N 369.266 3.480 0 1 FGAF CC[C@@]1(c2cc(N)ccc2C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228913 OTTJZBHCVWPPBH-IRLDBZIGSA-N 361.445 3.378 0 1 FGAF CC(C)C/C=C1\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13517866 OZBVCLQSUOXWKI-MOWFPQLSSA-N 354.487 3.498 0 1 FGAF O=c1cc(N2CCOCC2)oc2cc(OCCc3ccccc3)ccc12 13677028 KIOBMXIHRJGBLA-UHFFFAOYSA-N 351.402 3.251 0 1 FGAF in-vivo Cc1nc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)cs1 14997088 UFADOBBARMXIOS-HNNXBMFYSA-N 351.431 3.247 0 1 FGAF O=C(NCc1c(Cl)cc(Cl)cc1CO)[C@H]1CCOc2ncccc21 205621837 ZQJVKJOQFKOGOL-LBPRGKRZSA-N 367.232 3.063 0 1 FGAF COC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Cl)cc1 1857535126 MBRHFFMMRAQOIO-PPGNKHEKSA-N 350.871 3.283 0 1 FGAF CS(=O)(=O)c1n[nH]c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)n1 1857638411 NQJADORRIMAURY-UHFFFAOYSA-N 374.369 3.018 0 1 FGAF COc1ccccc1NC(=O)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C 1857754937 HLVFBKZWWXNATR-CYBMUJFWSA-N 365.433 3.281 0 1 FGAF OC1(c2ccccc2F)CCN(Cc2nnc(-c3ccccc3)o2)CC1 1347754 RCSDCLFJRJGWED-UHFFFAOYSA-N 353.397 3.359 0 3 FGAF Cc1c2c(OC[C@H]3CCCCO3)nn(C)c(=O)c2c(C)n1-c1ccccc1 1659189 XNMSDAOXPBMREX-QGZVFWFLSA-N 367.449 3.289 0 1 FGAF Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1)C[C@@H](C)O2 6797890 BDGVNAJGKYCEKY-MRXNPFEDSA-N 352.434 3.206 0 3 FGAF CC(C)(C)NC[C@@H](O)COC(=O)c1cccc(OCc2ccccc2)c1 25972051 USNUYANUHNWXJN-GOSISDBHSA-N 357.450 3.171 0 1 FGAF CN(C)Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 27322372 HEPYDAXZHZSJLF-UHFFFAOYSA-N 351.841 3.333 0 1 FGAF COCC[C@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCCC1)C(=O)O 28639865 JVVALULODDVILM-KURKYZTESA-N 359.466 3.347 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OC4CCC(O)CC4)cc3)nc2c1 28959686 NMQTYYCKJZLFKI-UHFFFAOYSA-N 351.406 3.011 0 1 FGAF CC1(C)C[C@@H](O)c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 13383659 LNOUAWTWAHZUJH-CYBMUJFWSA-N 354.358 3.466 0 1 FGAF biogenic CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCC[C@@H](C(=O)O)C3)n2n1 79025900 ZNSFOUVIQWOBLK-SNVBAGLBSA-N 370.375 3.347 0 1 FGAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccccn1 199358273 SCOABPYJNBQCIJ-KRWDZBQOSA-N 357.841 3.046 0 3 FGAF CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccn3)cc21)c1ccccc1 84730872 ZQMNLURKRRKMCH-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF CN1CC[C@]2(CCCCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 195378471 TWEQQEGZOGODAN-DLBZAZTESA-N 363.255 3.062 0 1 FGAF C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C=CSC(N)=N1 147053270 ILCHBMXUEANZSX-KRWDZBQOSA-N 360.389 3.403 0 1 FGAF O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)n1 96175661 XQBUQKXUAVFZEI-UHFFFAOYSA-N 361.283 3.330 0 1 FGAF CC(C)(C)NC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1 95576470 SKQLTQRWTRSOHA-UHFFFAOYSA-N 374.510 3.347 0 1 FGAF COC(=O)N1c2ccccc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)C3 238742216 SYRCRIJPTTXYFS-JJCGOBCMSA-N 364.445 3.037 0 1 FGAF CCCn1c(=O)c2nc([C@@H]([C@@H]3C[C@@H]3C)[C@@H]3C[C@H]3C)[nH]c2n(CCC)c1=O 253850959 HMVSPWMLAUTJBO-XLWJZTARSA-N 358.486 3.102 0 1 FGAF COc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1 299833436 SCQLLXPAJSBFIA-UHFFFAOYSA-N 372.841 3.338 0 1 FGAF Nc1ccccc1-c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587249916 SEGRENFOKKMRCQ-UHFFFAOYSA-N 364.430 3.127 0 1 FGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cnc(Cl)cc2[nH]1 587039597 TVCMVFXRLJCXKG-UHFFFAOYSA-N 352.807 3.477 0 1 FGAF CN1CCN(c2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)CC1 587032056 ORKDUFVRDGISHP-UHFFFAOYSA-N 354.479 3.116 0 1 FGAF COC(=O)c1cc2[nH]c(CCC(=O)c3ccc(F)cc3)nc2cc1OC 587162298 JACPXHGGHRIJDV-UHFFFAOYSA-N 356.353 3.313 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(F)cc2)N1 587736892 VCHBGKOWUJVGOO-BMLIUANNSA-N 368.221 3.497 0 1 FGAF Cc1ccnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586969529 LYPORDCJUXIRIK-UHFFFAOYSA-N 367.390 3.337 0 1 FGAF COC(=O)c1cc(Br)c2nc(-c3ccc(CO)cc3)[nH]c2c1 586895691 UDWIZKPWFDIUNW-UHFFFAOYSA-N 361.195 3.271 0 1 FGAF COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1nccn1C)[C@@H](C2)C3=O 587426200 AIPBDEMQLQTOCS-KKSFZXQISA-N 364.376 3.259 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Cc1ccccc12 587602269 HHODGRZGSQGXDW-KNQAVFIVSA-N 358.349 3.375 0 1 FGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ncccc2F)N1 962714822 VYNMKRSRPIOPBI-STQMWFEESA-N 358.266 3.067 0 1 FGAF COc1ccc2c(c1)CC[C@@H]([C@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)C2 962895782 IJFYFISGKBOYSD-VOBQZIQPSA-N 355.409 3.279 0 1 FGAF CC[C@H]1Cc2ccccc2[C@@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269332 IMJLRAWMYALBDD-QMHKHESXSA-N 361.441 3.225 0 1 FGAF Cc1c(CCC2CCCCC2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 13488121 FCGPWKCJPCLCKH-UHFFFAOYSA-N 365.451 3.197 0 1 FGAF CSc1nc(S[C@@H](C(N)=O)C(C)C)nc2c1cnn2-c1ccccc1 13759703 NBIZBWLHOOZRHY-CYBMUJFWSA-N 373.507 3.139 0 1 FGAF COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3[nH]2)c1OC 15119295 DRMUWMGSSNYPKK-UHFFFAOYSA-N 371.389 3.238 0 1 FGAF biogenic O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCCC1 169324548 WNQLPXMFHIVBII-UHFFFAOYSA-N 353.447 3.453 0 1 FGAF Cc1ccc(-n2cc(CN3C(=O)COc4ccc(Cl)cc43)nn2)cc1 1857641994 QDOYCFLMSOVKFT-UHFFFAOYSA-N 354.797 3.155 0 1 FGAF O=C(Nc1ccncc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 100091994 PMJBOWRTSRFLQU-HZPDHXFCSA-N 371.462 3.083 0 1 FGAF O=C1c2ccccc2C(=O)N1CCNCCCOc1cccc2ccccc12 29561482 LVTLZZROJUAPPK-UHFFFAOYSA-N 374.440 3.495 0 1 FGAF C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CCN(C)CC1 28816383 SJMBEOUPGLPONN-WOJBJXKFSA-N 366.505 3.187 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C([C@H](O)C[C@H]21)[C@H](C)C(=CC(=O)O)CC3 2356473289 AGSAINARGNMCLQ-REJIITAVSA-N 362.466 3.474 0 1 FGAF C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2cc4c(cc2O)OCO4)[C@H]1C)OCO3 2356769579 IWVMYNUBGFIYHI-FJHFEUQMSA-N 354.358 3.450 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)n1ccc2cc3c(cc21)CCNCC3 40917276 LRBGKNVJWHKZLI-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF Fc1ccccc1Cn1cc(CSC(=S)N2CCCCC2)nn1 96285731 HTBFDEUYKNWAPH-UHFFFAOYSA-N 350.488 3.470 0 1 FGAF COc1ccc2ccc(=O)oc2c1/C=C/[C@H](CO)COC(=O)CC(C)C 238786358 LPBBOCMPCDPSPZ-BTKRWWFXSA-N 360.406 3.013 0 1 FGAF Cc1ccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)cc1C 95565888 KEXLVQNXGLXRES-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)[C@H]1CCCO1 261081132 BSAKAGUSLYMSNM-IMFGXOCKSA-N 357.498 3.176 0 1 FGAF CC[C@H](C)C(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 85923821 ZDDSHWOLTYMTJG-BKOMCJNNSA-N 356.374 3.372 0 1 FGAF biogenic O=C1Nc2nc(Nc3ccccc3)nc(O)c2C[C@@H]1c1c(F)cccc1F 653918595 GVHZZCIRWQSAQY-LLVKDONJSA-N 368.343 3.482 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069204 FVYRDDPLQHZVFD-AWEZNQCLSA-N 356.857 3.203 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1nc4c(cc1Cl)OCCO4)[C@@H](C2)C3=O 587419323 KZMITICQGLNRQU-BTDLBPIBSA-N 359.765 3.004 0 1 FGAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586887604 INKZCOVYWBKWLD-IERDGZPVSA-N 364.493 3.460 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2O)N1 587772255 FEOSYECIDJXZBT-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(F)cc2C1 587383770 GGYSNWAPNYZXHD-OAQYLSRUSA-N 368.408 3.329 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ncon4)cc1)[C@@H](C2)C3=O 587437168 FAVRDMNHFNLDJC-YWZLYKJASA-N 364.357 3.146 0 1 FGAF CCCCCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454227 KWPJIRLJRWHTAK-ALOPSCKCSA-N 373.497 3.320 0 1 FGAF O=C(O)c1ccc(Cn2nc(-c3cccnc3)c3ccccc3c2=O)cc1 13600586 XFBSXNYUBVKXCV-UHFFFAOYSA-N 357.369 3.205 0 1 FGAF O=C1C=C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]([C@H]2O[C@@H]2c2ccccc2)O1 14441551 SXDWURVOACIILU-FVKHNCLHSA-N 362.381 3.233 0 1 FGAF biogenic,in-vitro COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccccc1 14657356 CLOXWXMRGIFQET-HTXNQAPBSA-N 366.369 3.194 0 1 FGAF Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)nc(C)n2)nc1 205841254 VRMWBFAABMFGGZ-SJORKVTESA-N 364.453 3.017 0 1 FGAF CCOc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NC(C)C)cc1 1857610943 WKPUIQXWVAQEIG-UHFFFAOYSA-N 366.421 3.124 0 1 FGAF COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356390175 SLMVROKGKGNOBN-JUWQVRIASA-N 364.526 3.193 0 1 FGAF CCc1ccc2nc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)sc2c1 3041107 WZKWYBVJYKSKER-MRXNPFEDSA-N 373.522 3.370 0 1 FGAF CCCOc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2n1 100643261 NWVOTDQIZMJKRJ-HZPDHXFCSA-N 353.466 3.379 0 1 FGAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1 61926250 WOSBZKCJWGKNSZ-NRFANRHFSA-N 367.449 3.395 0 3 FGAF Cc1ccc(F)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NC(C)(C)C 103172859 NNSYKBQOROPSLI-UHFFFAOYSA-N 358.417 3.322 0 1 FGAF CNc1cc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)ccn1 113836154 LMRBHLOXIRMINE-UHFFFAOYSA-N 354.435 3.437 0 1 FGAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61907062 UKTLIOJOLHGLCN-NRFANRHFSA-N 356.466 3.311 0 3 FGAF Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(C)cs3)CC2)nc1 64549190 FKKTTZAYOLFUGU-UHFFFAOYSA-N 361.486 3.494 0 1 FGAF O[C@H](CCN1CCN(c2ccccc2)CC1)COc1ccc(Cl)cc1 29481070 MFKNKGAKZRYZEU-LJQANCHMSA-N 360.885 3.292 0 1 FGAF Cc1nc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2cc1Br 404581629 QIGHHMWAFKMWKW-UHFFFAOYSA-N 366.240 3.099 0 1 FGAF CCOC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1 34858508 VGEAIMDETSYFNI-UHFFFAOYSA-N 364.423 3.242 0 1 FGAF O=C(NCc1ccco1)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1Cl 1911583362 KBBQAXQXYNWTNT-HNNXBMFYSA-N 367.232 3.394 0 1 FGAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@H]1c1ccccc1Cl 73387180 GYSNFWMPCQHMJV-SFHVURJKSA-N 358.781 3.350 0 1 FGAF Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 49046609 RTWOYLCNRKIBBG-UHFFFAOYSA-N 353.328 3.095 0 1 FGAF COc1ccccc1CNCCN1C(=O)c2cccc3cccc(c23)C1=O 45253277 NKJVDBZWGOOBTA-UHFFFAOYSA-N 360.413 3.234 0 1 FGAF CCOC(=O)c1cc(CNc2ccc(F)cc2C)nc(N2CCOCC2)c1 40845858 NZTCAAOXNBKKDC-UHFFFAOYSA-N 373.428 3.155 0 1 FGAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@H]1CCCO1 96286307 BSAKAGUSLYMSNM-XKGZKEIXSA-N 357.498 3.176 0 1 FGAF Cc1ccc2nc([C@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 143003005 KLBYQGDDYSIOLY-CABCVRRESA-N 359.437 3.438 0 1 FGAF NC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577513 KWONLWHBAXDTHY-FXAWDEMLSA-N 361.353 3.194 0 1 FGAF CC[C@@]1(Cn2cncn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587756380 DHXLPFRNDIINSG-BMIGLBTASA-N 353.239 3.019 0 1 FGAF Cc1nc[nH]c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658402 PCBIBHNNPODHOP-UHFFFAOYSA-N 366.327 3.062 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428879 MUYCIKGFAAHZFG-SUMWQHHRSA-N 361.438 3.457 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587784024 CVICOZZAGJSULH-STQMWFEESA-N 354.337 3.344 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cncc2-3)N1 587802548 MSORYVXDGZZDDG-AYVTZFPOSA-N 361.218 3.435 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-n3cnnn3)c1)CC2=O 587479820 UWXRBOHXQBUFGG-FQEVSTJZSA-N 364.405 3.201 0 1 FGAF O=C(O)c1cc2nc(C(F)(Br)Br)[nH]c2cc1F 587088876 UGPRLVBMEZQTIU-UHFFFAOYSA-N 369.947 3.270 0 1 FGAF Oc1nccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587019382 ZGEFWYQVLDNAOZ-UHFFFAOYSA-N 366.402 3.149 0 1 FGAF Oc1ncnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587122406 LGGAKCVXZFCELA-UHFFFAOYSA-N 356.329 3.391 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN(C)C)[C@@H](C2)C3=O 587427828 GIVNLQYRYPWKIT-KKSFZXQISA-N 353.418 3.124 0 1 FGAF N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1F 587144914 RBWUFRIRQRBTKP-CYBMUJFWSA-N 364.218 3.199 0 1 FGAF COc1ccc([C@@]2(C)NCCc3c(C)ccnc32)c2cc(C(=O)O)oc12 963078130 XAUSOMAHKSMAGC-HXUWFJFHSA-N 352.390 3.252 0 1 FGAF COC(=O)c1c(-c2ccc(NC(C)=O)cc2)oc2cc(OC)ccc2c1=O 13820374 PPANIPQSJWHNSL-UHFFFAOYSA-N 367.357 3.214 0 1 FGAF Brc1cnc2nc(-c3ccc([C@H]4CNCCO4)cc3)[nH]c2c1 205118396 QQMGMRKMQAHJGA-CQSZACIVSA-N 359.227 3.048 0 1 FGAF O=C(NCc1ccccn1)c1ccc(-n2cc(-c3ccncc3)cn2)cc1 1502431 UKGSBPKSNSXMDN-UHFFFAOYSA-N 355.401 3.259 0 1 FGAF in-vitro CN(C)c1ncc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 55326163 LGAKYYQQPDOXCQ-OAHLLOKOSA-N 374.510 3.057 0 1 FGAF Cn1cc(C(=O)NC[C@@H]2CCCO2)c(Oc2cccc(C(F)(F)F)c2)n1 103294679 MZXQHGBRVXLHGS-ZDUSSCGKSA-N 369.343 3.140 0 1 FGAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2CCF)cc1 117788304 KJOFQXMNMBGKHT-MRXNPFEDSA-N 350.434 3.114 0 1 FGAF CCOc1ccccc1-c1[nH]nc2c1CN(Cc1nn(C)cc1Cl)CC2 20917694 PLFQIYNTICJYQG-UHFFFAOYSA-N 371.872 3.421 0 1 FGAF O=C(O)c1ccc(CN2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 28825584 VGIQJKKZERMGHY-DHDCSXOGSA-N 355.371 3.327 0 1 FGAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]5[C@H](C)N(C)C[C@]45[C@H](O)C[C@@H]32)C1 2356557011 WOLVJLISTFAJCZ-DOHRUCOISA-N 358.570 3.438 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]21 2356662634 ZWCXSDJYJHKYKN-YYLHFEBVSA-N 362.466 3.354 0 1 FGAF CO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 34729535 NZPBUNQOXRUEEE-SRVSUIJFSA-N 366.498 3.080 0 1 FGAF biogenic,in-vitro CCCCSc1nc(N)c2nnn(Cc3c(F)cccc3F)c2n1 40918896 IDQWKBZDANEGNA-UHFFFAOYSA-N 350.398 3.022 0 1 FGAF COCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 82216743 ZRDXZSLSRWOEBZ-UHFFFAOYSA-N 368.481 3.209 0 1 FGAF CCN1C(N(C)C)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccccc1 40766982 VCUHJGXHOPADEP-IBGZPJMESA-N 350.466 3.319 0 1 FGAF Nc1nccn2c(C3CNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168049 PWPRBIJOTGOPMV-UHFFFAOYSA-N 357.417 3.458 0 1 FGAF O=C(N[C@H]1CC[C@H](c2ccc(O)cc2)CC1)[C@H]1Cc2ccccc2CN1 253656688 WSRMPOSDHQOTMA-QFIXIFRTSA-N 350.462 3.249 0 1 FGAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1S(C)(=O)=O 587531578 KETPMWAROIAKJQ-SFHVURJKSA-N 371.458 3.379 0 1 FGAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452253 KGSZYJHCBKVMRN-QVKFZJNVSA-N 350.370 3.210 0 1 FGAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2ccc(F)c(Cl)c12 587631152 HXIOIUBOKSLUKN-ZDUSSCGKSA-N 366.820 3.277 0 1 FGAF N=c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c[nH]1 587117707 VDLWPFZEKHBMBS-UHFFFAOYSA-N 370.766 3.359 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(=N)[nH]c1C(F)(F)F)O2 587382529 MRXVINKWWFMKJS-CQSZACIVSA-N 357.357 3.346 0 1 FGAF COc1ccc(/C=C/Cc2nc3c(S)nc(S)nc3[nH]2)c(OC)c1 587928992 IUPSUIKOPFTQQB-ONEGZZNKSA-N 360.464 3.203 0 1 FGAF COC(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1OC 587166974 LQGOFLOTISDNOA-KTKRTIGZSA-N 369.352 3.149 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cn1)OCO2 587588907 VFIUTNWYEWSVIE-FXAWDEMLSA-N 363.325 3.219 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587173815 AVZSOHMFSOIMFH-LLVKDONJSA-N 350.357 3.008 0 1 FGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(O)c2)N1 962698004 CKPYBSDIFQQASC-CABCVRRESA-N 355.287 3.238 0 1 FGAF Cc1cnccc1[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962668620 PCPYDTFZOLZQJD-YADHBBJMSA-N 361.445 3.300 0 1 FGAF COC(=O)[C@H]1CC(OC)=C[C@@]12c1ccsc1CCN2Cc1ccco1 962703321 GCYQGWQEDFBYKZ-VQIMIIECSA-N 359.447 3.318 0 1 FGAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2 1772616799 BBEIRVRYSGBOAM-KBPBESRZSA-N 362.424 3.047 0 1 FGAF O=C(Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2n1)N1CC[C@H](F)C1 1772640907 HWCJWCCNYZGZEW-NSHDSACASA-N 361.327 3.250 0 1 FGAF Cn1ncc2c(NS(=O)(=O)c3cccc(Cl)c3Cl)ccnc21 1772643011 VPRZIBYCXBFLKU-UHFFFAOYSA-N 357.222 3.076 0 1 FGAF CCOC(=O)c1cc2cc(Oc3ccnc(C(=O)NC)c3)ccc2cc1O 1772626194 SFHASDYGRQYHKV-UHFFFAOYSA-N 366.373 3.269 0 1 FGAF COCCOCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 13864450 BSGWENRJMHCCLG-UHFFFAOYSA-N 358.419 3.351 0 1 FGAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](OCCCN1CCNCC1)CC2 169322591 ULKDVIGHPGCRJB-HXUWFJFHSA-N 355.482 3.258 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3cnccn3)CC2)CC1 1857556586 OOCLFOYPNHPENS-SFHVURJKSA-N 367.497 3.119 0 1 FGAF COc1cc(OC)c(-c2cn3ccc(NCCCN)cc3n2)cc1Cl 1857594810 MHDGCUQPUZXCIJ-UHFFFAOYSA-N 360.845 3.433 0 1 FGAF CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 6895509 QUUYHOAXAKFNLD-OAQYLSRUSA-N 370.268 3.490 0 1 FGAF O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1 101628553 QWFJOMWBOPAHQQ-QZTJIDSGSA-N 367.449 3.034 0 1 FGAF CCCCC[C@H](O)/C=C/[C@]1(O)C[C@@H](O)C=C1C/C=C\CCCC(=O)OC 29471848 GWMHCVOTHOSIRJ-XDECEYLYSA-N 366.498 3.196 0 1 FGAF O=c1ccc(-c2ccccc2)nn1CCCNC(=S)Nc1ccccc1 27213233 HFJXZYUHJYJUKI-UHFFFAOYSA-N 364.474 3.287 0 1 FGAF CC(C)N1CCN(C(=O)c2cccc3c(CN4CCCCC4)c[nH]c23)CC1 64527869 XTCSYCAJFQGPJB-UHFFFAOYSA-N 368.525 3.320 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H]1OC(=O)[C@](C)(O)[C@H]12 2356603895 OMIIAMVKAQNJCI-NITGUQGMSA-N 360.494 3.213 0 1 FGAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]2(O)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 2356750997 GSBOBEMEYQTIDQ-RRZDUEHMSA-N 362.510 3.294 0 1 FGAF CC(=O)CCC=C(CO)CC[C@@H]1[C@@H](C(C)(C)O)CC[C@]1(C)CC(=O)O 2356765831 RFCAZPGZLODABO-SQGPQFPESA-N 354.487 3.333 0 1 FGAF O=P(O)(O)[C@@H](F)c1ccc2ccc([C@H](F)P(=O)(O)O)cc2c1 27103589 AMIIXHDQPGPIBX-VXGBXAGGSA-N 352.166 3.131 0 1 FGAF COC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7096886 VBLOYRUPAOFGAT-ZDUSSCGKSA-N 353.374 3.476 0 1 FGAF biogenic O=S(=O)(c1ccccc1Cl)n1ccc2cc3c(cc21)CCNCC3 40916799 CEVYRUFPINJHBU-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 87664196 DMIACTGOGNRSFY-UCNVEGJOSA-N 351.494 3.271 0 1 FGAF COc1nccc2c1OC[C@H]2NC(=O)Cc1ccc(Cl)cc1Cl 146492722 NOZJBYNSHDBTFJ-CYBMUJFWSA-N 353.205 3.189 0 1 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccco2)cc1 95586054 DDMOWRSFJRYDDC-QGZVFWFLSA-N 356.378 3.002 0 1 FGAF CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)O 261084878 CIMMACURCPXICP-HJBLQIRLSA-N 354.487 3.475 0 1 FGAF in-vitro COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@H](C2)N(C)C[C@H]3O 31794340 ITVKPOQYPPYHQA-UONOGXRCSA-N 357.406 3.081 0 1 FGAF biogenic CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1 261120596 JLNHYHADCFCEMM-WGSAOQKQSA-N 358.530 3.029 0 1 FGAF NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1 473151291 PFJSFJUTXSUOTN-UHFFFAOYSA-N 367.426 3.290 0 1 FGAF CO[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358105 PIOMXQFGGWYRCQ-WSTZPKSXSA-N 358.365 3.064 0 1 FGAF Cc1cc(=NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]o1 587103713 IOLFRIURVHNUKH-UHFFFAOYSA-N 369.380 3.346 0 1 FGAF Cc1c(Br)cnc2[nH]c(CC(=O)OCc3ccccc3)nc12 587781961 NZIPIESZDGUPBJ-UHFFFAOYSA-N 360.211 3.315 0 1 FGAF Cc1oc2c(c1-c1nc3ccc(CN4CCOCC4)cc3[nH]1)C(=O)CCC2 586904197 STOQDEZNJGVMCT-UHFFFAOYSA-N 365.433 3.483 0 1 FGAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790538 INPVUQQESJCIFR-AYVTZFPOSA-N 367.218 3.327 0 1 FGAF N=C(N)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127613 ZMZLQPCPQNGWPZ-UHFFFAOYSA-N 360.299 3.289 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4nc(Cl)c[nH]c-4n3)n2C)cc1 586965384 PHURBLHOZWLVCH-UHFFFAOYSA-N 371.857 3.354 0 1 FGAF CN(C)CCOc1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587088829 SGTXXAQTSGQTBT-LBPRGKRZSA-N 350.413 3.253 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)O2 587395673 FEAWVUCGHYAASN-KRWDZBQOSA-N 363.373 3.403 0 1 FGAF COc1cc2c(cc1C)[C@]1(CCC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901804 TZKSBVMDRAFOGS-GHTZIAJQSA-N 355.409 3.322 0 1 FGAF CN(C)C(=S)SC(=S)N1CCN(c2cccc(Cl)c2)CC1 1857747933 APDCESPFDLZJMT-UHFFFAOYSA-N 359.973 3.327 0 1 FGAF Cc1cc(C)c2nc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)sc2c1 5107043 AKQOFHVWNOUJNX-MRXNPFEDSA-N 373.522 3.425 0 3 FGAF CCOC(=O)c1nn(C)c2c1[C@@H](C)Cc1cnc(Nc3ccccc3)nc1-2 1857773720 BSIPNJIOPDWDSK-LBPRGKRZSA-N 363.421 3.457 0 1 FGAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCCC2)c1C 2929790 BHPILEKDMSFDCT-UHFFFAOYSA-N 358.413 3.402 0 3 FGAF Cn1c(CO[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2F)nc2ccccc21 2356349201 WYWHVGRNSFQBOK-YJBOKZPZSA-N 368.412 3.344 0 1 FGAF O=C(CSc1nnc2ccc(-c3ccncc3)nn12)c1cccs1 4377065 FMVRLWAZFSPYLR-UHFFFAOYSA-N 353.432 3.223 0 3 FGAF C[C@H](SC(=S)N1CCOCC1)c1cc2oc(=O)n(C)c2cc1Cl 6437357 XPXWUJKAOQFDEU-VIFPVBQESA-N 372.899 3.196 0 1 FGAF Cc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc(Br)cc1 103284318 PLGOCLRKJXMOLJ-UHFFFAOYSA-N 373.210 3.243 0 1 FGAF C[C@H](NC(=O)COC(=O)c1ccc2ccccc2n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101496980 NMAMANILFJYJBL-XOSAIJSUSA-N 352.434 3.333 0 1 FGAF Cc1c(N2CC3CCC2CC3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100916087 IUTQSRLKUKONGX-UHFFFAOYSA-N 367.449 3.304 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1CCC[C@@](C)(O)[C@@H]1O3 2356777654 AYNGSAXKNKEGEG-VYAXVDJTSA-N 372.417 3.327 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC(CO)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356784817 QGIFBSJPTOTBPS-KVDVXYDOSA-N 350.455 3.171 0 1 FGAF COc1ccc(CN2CC[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC2=O)cc1 2356809325 AQALFWKOIUZMFD-MSOLQXFVSA-N 372.509 3.328 0 1 FGAF O=C(NCCO)c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(F)c1 222362725 KVBBKLNPTAGDQO-UHFFFAOYSA-N 367.302 3.110 0 1 FGAF O=C1CC[C@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1 144843278 TVQVOQYCUOVNMU-ZMZPIMSZSA-N 363.335 3.123 0 1 FGAF CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95605217 QOJXPIVXXTYMFB-HXUWFJFHSA-N 366.461 3.106 0 3 FGAF O=C(Cc1cccc(OC(F)(F)F)c1Cl)N[C@H]1COc2ncccc21 146777451 LOXILRFGFNGSSW-NSHDSACASA-N 372.730 3.426 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 299809138 HZCJHCKFTKJLFP-LDHQQMMRSA-N 353.462 3.104 0 1 FGAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(C(=O)NC)c1=O 653788052 VGTMWNYEWISZNU-VIFPVBQESA-N 369.799 3.248 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1S(C)(=O)=O)O2 587411158 XZAYJNSQZNPGPU-CQSZACIVSA-N 365.838 3.341 0 1 FGAF CC(C)(C)Oc1ccc(O)n1-c1cc(C(=O)O)ncc1Br 587939564 JPHKHUOTZGZVHX-UHFFFAOYSA-N 355.188 3.216 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cnc(Cl)[nH]c-3n2)cs1 587014595 UIRHXTCFIRJRLA-UHFFFAOYSA-N 366.834 3.106 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccco2)N1 587830732 ULJQMDUHPRMJGX-AYVTZFPOSA-N 354.175 3.044 0 1 FGAF CN1CCN(c2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)CC1 587162550 GBVISVDCVBORSI-UHFFFAOYSA-N 366.440 3.269 0 1 FGAF COc1nccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224380 SBKWZYHODPEOMV-KRWDZBQOSA-N 358.401 3.486 0 1 FGAF O=C(c1cscn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657207 QRGALDGBJZDCSH-UHFFFAOYSA-N 369.352 3.487 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(Cn1nnc3ccccc31)N(C)[C@H](C)C2 962632048 OKAQTDUZPBAJMO-SZNDQCEHSA-N 366.465 3.240 0 1 FGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCC[C@@H](O)C2)N1 963182314 NLJXQEMDDGDDSO-BPYAMOTFSA-N 363.763 3.088 0 1 FGAF Cc1csc([C@]2(C(F)(F)F)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963036484 XOZQTNJQODJCAJ-QLJPJBMISA-N 367.396 3.311 0 1 FGAF O=C(c1ccccc1)N1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1 13826419 XFKFFRIWWQUUHS-FGZHOGPDSA-N 364.489 3.142 0 1 FGAF O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NC1Cc2ccccc2C1 14995964 MHUOYMZDGVURFP-NRFANRHFSA-N 368.502 3.003 0 1 FGAF Cc1ccc(Cl)cc1-c1cn(-c2ncnc3[nH]ccc23)cc1C(N)=O 208340577 RKUFUTNRBJSUDP-UHFFFAOYSA-N 351.797 3.476 0 1 FGAF Cc1cc(C)cc(N=c2cc(Nc3ccccc3)c3ncc(C(N)=O)n3[nH]2)c1 1857656085 IFEXEXRVVLLXPF-UHFFFAOYSA-N 372.432 3.354 0 1 FGAF CC(=O)Nc1ccc(CNC[C@@H]2COCc3nc4ccc(C)cc4n32)cc1 2356298858 GQHIHGJUTJDKIB-GOSISDBHSA-N 364.449 3.164 0 1 FGAF COc1ccc2nc(C[C@@H]3CN(C4CCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302674 MVHSHNQLKITKPX-UONOGXRCSA-N 357.454 3.079 0 1 FGAF O=C1O[C@H](c2ccc(F)cc2)[C@@](Cn2cncn2)(c2ccc(F)cc2)O1 26006255 JATVZOFUXQKRNL-SJLPKXTDSA-N 357.316 3.360 0 1 FGAF N[C@](C(=O)O)(C1CC(C(=O)O)C1)C1c2ccccc2Sc2ccccc21 29041554 CGCILUGPSJODKY-YNBSLNEISA-N 369.442 3.176 0 1 FGAF CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)[C@@H]2C[C@@H]2C1=O 103260434 JFRUETNFZHUWLL-UXHICEINSA-N 367.493 3.285 0 1 FGAF CN1CCC(N2C(=O)CN=C(c3ccc(F)cc3)c3ccccc32)CC1 27769871 WZTGMDXVPSBGMB-UHFFFAOYSA-N 351.425 3.104 0 1 FGAF N=C(Nc1ccc2c(c1)OCCN2CCN1CCCC1)c1cccs1 113971584 NROWQKJIUNKMFX-UHFFFAOYSA-N 356.495 3.480 0 1 FGAF CO[C@@]12C(=O)c3ccc4ccoc4c3O[C@H]1COc1cc3c(cc12)OCO3 2356598198 IMCREKBHAGUBGZ-OXJNMPFZSA-N 366.325 3.040 0 1 FGAF COc1ccc2ccc(=O)oc2c1C=C[C@@](C)(O)COC(=O)CC(C)C 2356763276 FPSUCNLAFSYJJZ-HXUWFJFHSA-N 360.406 3.155 0 1 FGAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)s3)CC2)nc1 64549285 MEQYWQORPSGCLF-UHFFFAOYSA-N 365.449 3.325 0 1 FGAF Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(Cl)c(Cl)c3c2n1 73170232 IQOXQNJSUVZSKD-ZETCQYMHSA-N 352.225 3.193 0 1 FGAF CCC1=CCCN(CCc2c([C@@H](CO)C(=O)OC)[nH]c3ccccc23)C1 14693895 DCFMZYCTRNALOF-GOSISDBHSA-N 356.466 3.001 0 1 FGAF biogenic C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O[C@@H]2C[C@@H]21 226072796 ZRNDQKRMNYICGA-WBHUJUFNSA-N 374.803 3.075 0 1 FGAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C)nc12 139420107 YOPFNPXDYSJHTJ-UHFFFAOYSA-N 350.401 3.436 0 1 FGAF C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=O)NC1=O 95593008 XDCLEBSPQIQGHU-WCLCAVJRSA-N 352.209 3.480 0 1 FGAF COc1ccc(/C=C/C(=O)Oc2cc3oc(=O)ccc3cc2OC)cc1 299871022 XOADLDYAGQGURH-WEVVVXLNSA-N 352.342 3.429 0 1 FGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 587529879 RCTWOZYFZNNAME-PERFCLBYSA-N 362.425 3.112 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 586950731 KTHXUBUGVZGHQO-UHFFFAOYSA-N 359.407 3.078 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3n[nH]cc32)N1 587794993 MYQCEFWWFKONLT-ABKXIKBNSA-N 350.235 3.425 0 1 FGAF CCOC(=O)Cc1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587156783 PVEJIFDNWCKSNS-JLTOFOAXSA-N 353.397 3.149 0 1 FGAF Cc1c(O)ccc2c1[C@]1(CCSc3ccc(F)cc31)N[C@H](C(=O)O)C2 963492898 TYYNQIMLEJKODF-IFXJQAMLSA-N 359.422 3.178 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CSCCc3ccccc31)NCC2 962931734 PDKANQNINSRMCU-OAQYLSRUSA-N 352.503 3.067 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCN(CC(F)(F)F)C1)N(C)[C@@H](C)C2 962637204 VXWSILSFSKKIDB-YVEFUNNKSA-N 358.404 3.044 0 1 FGAF O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2 1772651916 BYUZCRJHSPUIHJ-UHFFFAOYSA-N 350.300 3.293 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)ncc12 1772612984 HOCDXOLRPKMQJC-UKRRQHHQSA-N 351.410 3.424 0 1 FGAF NC(=O)c1cn(-c2ccccc2F)c2cc(-c3ccncc3)ccc2c1=O 5933986 FWOOMTYRNGVBIH-UHFFFAOYSA-N 359.360 3.291 0 1 FGAF C[C@@H](NC(=O)c1cc(-c2cn[nH]c2)nc2cc(F)ccc12)C(F)(F)F 19301063 ATFUEURUAFAOIT-MRVPVSSYSA-N 352.291 3.445 0 1 FGAF Cc1noc(C)c1-c1ccc2ncnc(N3CCC(C(=O)O)CC3)c2c1 4265256 FFKIBFKOWOZEJJ-UHFFFAOYSA-N 352.394 3.203 0 1 FGAF CC(C)[C@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C)C(=O)N1 100087732 QFIUZUGIFYOZOV-ZECHFRALSA-N 358.482 3.405 0 1 FGAF CC(C)Cn1cc(NC(=O)NCCN2CCCCC2)c2ccccc2c1=O 20941517 AODUBUWOZSVIFF-UHFFFAOYSA-N 370.497 3.265 0 1 FGAF O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1C1CCNCC1 27769055 WTKILVRWQIDUGP-UHFFFAOYSA-N 371.843 3.415 0 1 FGAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCc1ccc2ccccc2c1 73258615 RCJCYPJNFNBTHQ-HXUWFJFHSA-N 365.477 3.179 0 1 FGAF CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2c(n1)N(C(C)C)CN2 70719266 YONHPYKZGOWBHS-HNNXBMFYSA-N 356.474 3.247 0 1 FGAF COc1cccc(Nc2ncc(C(=O)N3CCOCC3)c3c(C)c[nH]c23)c1 45244862 QOHJHNMPMYRTGG-UHFFFAOYSA-N 366.421 3.096 0 1 FGAF O=C(C1CCOCC1)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 40406229 DFLDZWQBWUBYFS-AWEZNQCLSA-N 357.281 3.111 0 1 FGAF COc1ccc(C(=O)Nc2nnc(-c3ccc(C(=O)O)cc3)s2)cc1 84741899 DGYUPENFFDJHHX-UHFFFAOYSA-N 355.375 3.164 0 1 FGAF COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 96271888 YMINVJCQMHQVBJ-UHFFFAOYSA-N 373.748 3.406 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nccs5)c4[nH]3)ccc21 143380908 XTICONZRZIIJQE-UHFFFAOYSA-N 362.418 3.183 0 1 FGAF N=C(N)NCCCCc1nccc2c1[nH]c1cc(Br)ccc12 72179338 RYDDJEFQYPXRAF-UHFFFAOYSA-N 360.259 3.284 0 1 FGAF biogenic NS(=O)(=O)c1c(F)c(F)c(SCc2ccccc2)c(F)c1F 95591441 OHXLGCSDOPKBOU-UHFFFAOYSA-N 351.346 3.183 0 1 FGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(O)c2[nH]1 587114221 XMYSFBSWAYMZCC-MRXNPFEDSA-N 364.327 3.082 0 1 FGAF O=C(O)c1cccc2c(N3C(=O)CCC3=O)c(-c3ccccc3F)[nH]c12 587637079 BTQUNZOXUYRWNI-UHFFFAOYSA-N 352.321 3.326 0 1 FGAF COc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 587121203 XNIXBAKJOMYXPI-UHFFFAOYSA-N 351.210 3.394 0 1 FGAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Cl)ncnc2[nH]1 587120762 URRGHUWLZDIJFF-UHFFFAOYSA-N 356.617 3.434 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4nncn4C)o1)[C@@H](C2)C3=O 587451659 LFLIPLUYQVHXEU-APPDUMDISA-N 369.402 3.057 0 1 FGAF COC(=O)Nc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cn1 587245472 UEOXGZNOPSKCLG-UHFFFAOYSA-N 352.329 3.128 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccccc3Oc3cnccn3)c3cccc1c32 963021426 GYTFDQKMWSRWMM-PEBXRYMYSA-N 372.428 3.412 0 1 FGAF COc1cccc([C@@]2([C@H]3CC[C@@H](C(=O)O)C3)NCCc3ccc(O)cc32)c1 963353770 SNXXSGSTFQRQDE-ZWWNWMABSA-N 367.445 3.291 0 1 FGAF COc1ccc2c(C(=O)N(C)CC(=O)O)ccc(F)c2c1C(F)(F)F 13823597 LUFPMNPZPWHXCK-UHFFFAOYSA-N 359.275 3.163 0 1 FGAF Nc1ncc(-c2cccc(-n3cccn3)c2)cc1C(=O)Nc1ccncc1 150129128 ABSILEKDPLDCAC-UHFFFAOYSA-N 356.389 3.164 0 1 FGAF COC(=O)C[C@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccc(Cl)cc1 169335473 XBFZWNFMXAFJBS-QAPCUYQASA-N 374.849 3.421 0 1 FGAF CC(C)CNC(=O)OCc1cn(Cc2ccccc2C(F)(F)F)nn1 203462257 UNCQTABRPLCJNO-UHFFFAOYSA-N 356.348 3.227 0 3 FGAF COc1cc(OC)cc(-c2ccc(Sc3cc(=O)n(O)c(O)n3)cc2)c1 1857769609 VHAGVGJZJPELPW-UHFFFAOYSA-N 372.402 3.022 0 1 FGAF Clc1ccc(N2CCN(c3ncnc4c3nc3n4CCCC3)CC2)cc1 6899908 UHGYDZUNZGCOAL-UHFFFAOYSA-N 368.872 3.143 0 1 FGAF C[C@H](c1ccccc1)N(C)C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 8330400 WHJGLMYHPOKGBE-WKUAPKQTSA-N 371.477 3.081 0 1 FGAF COc1ccc2sc(Nc3nc(C)n(-c4ccccc4)c(=O)n3)nc2c1 9775231 HXNNUAHARNNZMA-UHFFFAOYSA-N 365.418 3.298 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3[C@H]4CC[C@H]3CC(O)C4)c2c1 101465273 OOOQCFLLXODUKM-KBPBESRZSA-N 366.465 3.224 0 1 FGAF CCCCNC(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27558491 KIMMWCCCBWYGKQ-INIZCTEOSA-N 366.933 3.262 0 1 FGAF O=C1NC(=O)c2c1cc(C(=O)NCc1ccccc1)c1[nH]c3ccccc3c21 64453481 UZNAXAGXPGSSRP-UHFFFAOYSA-N 369.380 3.135 0 1 FGAF CCOC(=O)c1c(C)cc2cnn(-c3cccc(OC)c3)c(=O)c2c1C 28756455 ZRQNJMVGZKAQNX-UHFFFAOYSA-N 352.390 3.188 0 1 FGAF COc1ccc(C=CC[C@@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1 2356702645 NECYZFRKTWYGPO-LAUBAEHRSA-N 358.434 3.458 0 1 FGAF COc1cc([C@@H]2CN=C(c3ccc4c(c3)CCN4C)O2)cc(OC)c1OC 27518514 RCYTZJDFTTYSAV-IBGZPJMESA-N 368.433 3.223 0 1 FGAF Cn1c2c(c3ccc(S(=O)(=O)c4ccccc4)cc31)[C@@H]1CC[C@H](C2)N1 73197834 KJKURLQGTARUPM-DYVFJYSZSA-N 352.459 3.360 0 1 FGAF Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1 34336620 UXIUTMGDEVKDJT-UHFFFAOYSA-N 360.299 3.131 0 1 FGAF NC(=O)c1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 72101464 FTPFENXCJNQTFF-LJQANCHMSA-N 372.346 3.484 0 1 FGAF NC1=N[C@@H](c2ccccc2)NC(NCCCCOc2ccc(Cl)cc2)=N1 71294547 UTVDFNSMBIIHFA-QGZVFWFLSA-N 371.872 3.061 0 1 FGAF COc1cc(C)cc2cc(-c3c(CO)c(C)n4ncnc(N)c34)sc12 218049053 YFCQTEWBNUGUFK-UHFFFAOYSA-N 354.435 3.311 0 1 FGAF NS(=O)(=O)c1ccc(-c2nnc(-c3cccc(Cl)c3Cl)o2)cc1 1911586476 JOJDXUSYEIHKIB-UHFFFAOYSA-N 370.217 3.358 0 1 FGAF CCc1nn(CCO)c(NC(C)=O)c1Cc1cc(Cl)cc(Cl)c1 45302442 BELPDTZZIINQKF-UHFFFAOYSA-N 356.253 3.294 0 1 FGAF O=S(=O)(c1cccc(Cl)c1)n1c2c(c3ccccc31)CCNCC2 40893808 BYPFBKVIRCYPNX-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccn3)no2)C(C)C)cc1 95605900 CGXCANAUWNATLY-UHFFFAOYSA-N 366.421 3.256 0 1 FGAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1 95577623 UMLMJLPXSRDUHS-NRFANRHFSA-N 357.417 3.185 0 1 FGAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1ccc(Cl)cc1 68576366 MWXBHDKRQUPEEL-UHFFFAOYSA-N 368.764 3.039 0 1 FGAF biogenic CNC(=O)Nc1ncc(CC2CCOCC2)cc1Oc1ccnn1C(C)C 299824916 FBTCWQQXHRRGIV-UHFFFAOYSA-N 373.457 3.372 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)NNc2cc(Cl)cc(Cl)c2)cc1 299838697 NIBGCIAABYMHBE-UHFFFAOYSA-N 374.249 3.257 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587066595 FGFAUOCLLYDVAG-UHFFFAOYSA-N 372.768 3.198 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(N3CCOCC3)n1)CC2=O 587474615 IVBACTFJQKWJFD-LJQANCHMSA-N 368.433 3.283 0 1 FGAF COC(=O)C(C)(C)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591716 HIWWERGQVBBDIK-HZPDHXFCSA-N 356.374 3.312 0 1 FGAF COc1nc(N2CCCC2)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397363 ZZIKOXYJZAXONW-OAQYLSRUSA-N 367.449 3.462 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCOCC4)nc1)[C@@H](C2)C3=O 587434748 ARFKVMPFTCLDFK-KKSFZXQISA-N 367.401 3.137 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 586920616 NZUBNXNNQXOTAW-UHFFFAOYSA-N 372.780 3.477 0 1 FGAF Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cc(Cl)c(F)cc12 587631923 MGPUASXURMCERU-UHFFFAOYSA-N 357.776 3.325 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586915760 HNKXLKVNPNXFLI-BTDLBPIBSA-N 372.475 3.147 0 1 FGAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2N1 587125795 VAXNFXNLXYBSSE-WRWORJQWSA-N 365.315 3.432 0 1 FGAF Cc1nn(C)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760131 XLKZMYJSHGXNAJ-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)ncc4[nH]3)cc12 587039009 WVXYCNIHHFTQAM-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(C)(=O)=O)c1)CC2=O 587489423 UVMVNSVYKZRXKB-GOSISDBHSA-N 360.431 3.455 0 1 FGAF CC(C)(C)OC(=O)N1[C@@H](COc2ccc(C(=O)O)cc2)COC1(C)C 219723665 YXDHOHBTDGVHLI-ZDUSSCGKSA-N 351.399 3.136 0 1 FGAF biogenic COc1ccc(-n2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cn2)cc1 1857639791 OTUXTVHTQVQWTH-UHFFFAOYSA-N 367.405 3.079 0 1 FGAF O=c1cc(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc(O)n1O 1857764258 WGYMZKPRRKBZHN-UHFFFAOYSA-N 362.307 3.463 0 1 FGAF CCc1c(C)[nH]c2cc([C@@H]3CCN(Cc4ccccc4F)C3)nn2c1=O 19521717 JWOZXMYDLZLSIV-OAHLLOKOSA-N 354.429 3.022 0 1 FGAF CCOC(=O)N1CCC(NC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 20575460 WPIXEFMDNUXLCU-UHFFFAOYSA-N 366.421 3.067 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(OC)cc2)cc1 100108065 MHHJYUYHFZQAMB-AERCQKQUSA-N 365.477 3.221 0 1 FGAF O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 29347003 RAIYTNLUBUFRPF-IRFCIJBXSA-N 371.440 3.015 0 1 FGAF COCCCc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194996 FOYOUTDTJICONH-IBGZPJMESA-N 350.422 3.413 0 1 FGAF Cc1cc(O)ccc1[C@H](O)[C@H](C)N1CCC(O)(c2ccc(F)cc2)CC1 28952033 VCXGYXJYTWDMJS-MGPUTAFESA-N 359.441 3.245 0 1 FGAF Cc1ccc(NC(=S)O[C@H](C)CNC(=O)c2ccccc2C(=O)O)cc1 28476347 KVANRHICAFZICS-CYBMUJFWSA-N 372.446 3.225 0 1 FGAF CN1CCC(NC(=O)[C@@]2(C)CCN2Cc2ccc3ccccc3c2)CC1 61929733 HZMRGWHZWRNOFD-JOCHJYFZSA-N 351.494 3.015 0 3 FGAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@@]3(O)[C@@H]4N4C[C@@H](C)[C@@H](CC[C@@]31C)[C@@H]42 2356863938 VJHKXZFTAJOMSE-WBLFTVSHSA-N 373.537 3.370 0 1 FGAF N[C@@H](CO)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 61906495 IWHAUUURPLOHPC-HNNXBMFYSA-N 368.462 3.370 0 3 FGAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc([C@H](N)C(=O)O)cc1 29127771 UGPBQETWJTXWQU-KRWDZBQOSA-N 367.430 3.334 0 1 FGAF Cc1ccc(CNCCCn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)o1 61936040 IUGCQZORMNXTOE-UHFFFAOYSA-N 367.453 3.229 0 3 FGAF CN(C)[C@@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C1 60325818 TYJYBRVLMVDOMJ-OAHLLOKOSA-N 372.465 3.436 0 1 FGAF COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1O)CC[C@@H]3N(C)CC2 14645563 KSXDNYMXILTIFF-ZDUSSCGKSA-N 371.433 3.266 0 1 FGAF biogenic Cc1ccc(NC(=S)OC[C@H](C)NC(=O)c2ccccc2C(=O)O)cc1 40414287 WKELEZUOCDWKLI-ZDUSSCGKSA-N 372.446 3.225 0 1 FGAF C=C1C(=O)C2=C[C@H]1C[C@H](O)C(=O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OC(C)=O 15116724 BPMWBOSKRGOILK-AZMRXDMMSA-N 374.477 3.156 0 1 FGAF biogenic CCOC(=O)c1c(-c2ccc(OC)cc2)[nH]c2cccc(OC)c2c1=O 49069504 TZEALCZSLSFQLH-UHFFFAOYSA-N 353.374 3.389 0 1 FGAF Cc1ccc(C(=O)N2Cc3nc(C)nc(-c4ccn[nH]4)c3C[C@@H]2C)c(C)c1 225942370 FNRXIXDIMHIGNB-AWEZNQCLSA-N 361.449 3.379 0 1 FGAF CN1C[C@H]2C[C@H]1CN2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 136897803 AXGKYFAKZIXSBN-VQTJNVASSA-N 358.432 3.459 0 1 FGAF COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1 197245504 JXKHETFJYPCKAY-CYBMUJFWSA-N 358.390 3.155 0 1 FGAF CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82070125 HPSIOZOLTCENHL-KRWDZBQOSA-N 357.454 3.321 0 1 FGAF O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(O)c3ncccc23)CC1 95565534 TWGCGRSSWKLAPS-UHFFFAOYSA-N 374.444 3.421 0 1 FGAF C[C@@H]1C[C@@H](C)CN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)C1 653901681 ANXZFHLZSNLNFW-QZTJIDSGSA-N 355.482 3.369 0 1 FGAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc3c(c2)OCCO3)c1)C(=O)O 653687093 NEZVGXPNRPFTLH-ZDUSSCGKSA-N 368.216 3.386 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)(C2CC2)N1 587836147 ZCYVDFAIEXXNIQ-BTDLBPIBSA-N 370.262 3.491 0 1 FGAF Cn1cc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cn1 587517356 LRYCNQDOOKOBTP-IBGZPJMESA-N 360.417 3.462 0 1 FGAF Oc1cc(Cc2ccccc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587945187 IRRGLCMUUUDIAH-UHFFFAOYSA-N 350.353 3.404 0 1 FGAF COc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C 587755585 HXNXOSSVCNJSQC-ANRSDYALSA-N 368.250 3.262 0 1 FGAF CC(=O)N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(C)cc1 587207833 XEKOEDKRJWCJAO-CQSZACIVSA-N 373.254 3.449 0 1 FGAF COc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2n1 586972181 DJANPNSNQCTFJF-OAHLLOKOSA-N 356.451 3.077 0 1 FGAF COCCNC(=O)CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12297975 DEHIEFYEDYJLFO-UHFFFAOYSA-N 372.431 3.460 0 1 FGAF Cc1ccc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc1C 12302310 CPFFNBBHIQYZGP-UHFFFAOYSA-N 358.438 3.369 0 3 FGAF COc1ccccc1S(=O)(=O)NCC1(c2ccccc2)CCC(=O)CC1 13488535 AXSBITHLZSBWCK-UHFFFAOYSA-N 373.474 3.055 0 1 FGAF CC(C)CC(=O)OC[C@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 13517874 PHRFEDMLKOKUBM-XLMFOLKISA-N 354.487 3.498 0 1 FGAF CNc1nc(Nc2ccc(-c3nnn[nH]3)cc2Cl)ncc1C(F)(F)F 169704311 MKTCKUJBFSZURA-UHFFFAOYSA-N 370.726 3.114 0 1 FGAF COc1ccc(CCC(=O)NC2=C(C)Nc3ccccc3NC2=O)cc1 205860583 JIZMRZWWZMSHMH-UHFFFAOYSA-N 351.406 3.040 0 3 FGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(CC(C)(C)C)nc34)[nH]c21 1857603844 SFMKWUZETRDDOW-LLVKDONJSA-N 364.449 3.322 0 1 FGAF O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3)ccc12 113579192 MOEKAFAZCZDWLW-UHFFFAOYSA-N 367.445 3.466 0 1 FGAF O=C(c1ccccc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009887 FFJCCJAORONDKA-QGZVFWFLSA-N 362.216 3.356 0 1 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1n[nH]c2ccccc12 117585772 OIFMMIMXZALWRI-UHFFFAOYSA-N 365.437 3.074 0 1 FGAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CCC1=C(C=CCC2=O)C(=O)OC1 2356624945 VGBNOFOWNHRFOS-FTRWYGJKSA-N 356.374 3.053 0 1 FGAF c1cc2c(c([C@@H]3OC[C@@H]4[C@H](c5cccc6c5OCO6)OC[C@H]34)c1)OCO2 2356725861 MHWKVSWLLYGYHT-USJZOSNVSA-N 354.358 3.219 0 1 FGAF CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(N)(=O)=O)c2)C1 34282751 UNNPAFDYRLETBW-AWEZNQCLSA-N 371.289 3.218 0 1 FGAF COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C(C)C)cc1OC 40917765 NTWVZPXDZCQJLO-UHFFFAOYSA-N 359.455 3.414 0 1 FGAF COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 221946882 KBQYZQCZLNFQEL-KRWDZBQOSA-N 366.200 3.415 0 1 FGAF CN1CCc2cn(c3ccccc23)[C@]23CCN(C)[C@H]2N(C1)c1ccccc13 238785568 CFBZKRHPISLXCY-GOTSBHOMSA-N 358.489 3.312 0 1 FGAF Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc21 96169279 ZHJSHIZXYYHRMF-MJGOQNOKSA-N 361.445 3.201 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(CCN3CCC[C@H]32)[C@@H]1c1ccc(F)cc1 587343640 CWBHLAOLDOKFIL-ZVDOUQERSA-N 353.393 3.497 0 1 FGAF CCOc1ccc(-c2nn(C(=N)O)c(=O)c3ccccc23)cc1OCC 587668846 GTENCOGFXSSEPN-UHFFFAOYSA-N 353.378 3.202 0 1 FGAF COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cn1 587019835 XJFAPTUDFRGURE-UHFFFAOYSA-N 371.447 3.328 0 1 FGAF Cc1ccc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F 587146361 JLNLLJRBEQYLIY-MDZDMXLPSA-N 359.426 3.431 0 1 FGAF Cn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587556040 NJDVPDCHYMQYCE-BEFAXECRSA-N 372.327 3.248 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C(=C\N(C)C)C(=O)OC)(C1CC1)CC2=O 587469594 NXHQOHDFJIARJQ-MJGOQDMVSA-N 373.449 3.077 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]2[C@H]5[C@H]41 587488544 KNWWLOZHVAIBBO-MVIVYCCDSA-N 350.414 3.006 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)c(Cl)cnc2[nH]1 587225055 MRRDCIORRVNJQV-SECBINFHSA-N 365.220 3.348 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587040523 NHZCHBWXVLRPDN-LBPRGKRZSA-N 367.402 3.383 0 1 FGAF O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1 586923991 CYXHFJHCOTVUDT-VOTSOKGWSA-N 353.325 3.421 0 1 FGAF Cc1nc(-c2ccc(O)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587564980 ZUEDVLZCIHMTFZ-UHFFFAOYSA-N 352.375 3.241 0 1 FGAF CC(C)OC(=O)N(CCc1ccccc1)Cc1ccc(C(=O)NO)cc1 218094293 VWQSWQYFIGQEHR-UHFFFAOYSA-N 356.422 3.395 0 1 FGAF CN(C)CCCc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 1772638806 NYPBFUANCHGSJU-UHFFFAOYSA-N 373.464 3.448 0 1 FGAF COC(=O)[C@H]1[C@H](C)N(Cc2ccccc2)C(=O)N[C@@H]1CCc1ccccc1 169355737 XUMFBWVLWILAGJ-DBVUQKKJSA-N 366.461 3.391 0 1 FGAF CCc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1 169710046 VHFZLHTWZZWIPV-UHFFFAOYSA-N 373.460 3.436 0 1 FGAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccc(F)cn1)c2=O 1857544342 PEDSIQVAEYSICQ-UHFFFAOYSA-N 362.792 3.140 0 1 FGAF CC(=O)N[C@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O 224482227 UEOYRTWNORFJAG-KRWDZBQOSA-N 355.825 3.409 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1cccnc1 4057362 QTDRDNOQHMFTSZ-GGNLRSJOSA-N 374.400 3.037 0 1 FGAF COc1cc(C[C@@H]2NCC[C@H]3C=C(O)C(O)=C(F)[C@@H]32)cc(OC)c1OC 100986077 ZSESSFIOOIMOHZ-MKBNYLNASA-N 365.401 3.044 0 1 FGAF O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)[C@H]1C(=O)c1cccs1 109430941 UROSSQCXPFRKPA-NWDGAFQWSA-N 374.468 3.422 0 1 FGAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289532 WVKVMRFBOVMGAX-VWPQPMDRSA-N 372.509 3.186 0 1 FGAF COc1ccc(/C=N/NC(=O)NCCc2ccc(Cl)cc2)cc1OC 115598508 JJCAEUBETWINGT-CIAFOILYSA-N 361.829 3.233 0 1 FGAF O=C(N[C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cccc(Cl)c1 28455649 YUXICMCJPYHUSY-QGZVFWFLSA-N 372.852 3.463 0 1 FGAF CCNC(=O)C[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568680 ZQUXDOJBDFPTDM-BJWNLGBTSA-N 357.494 3.362 0 1 FGAF in-vivo CNC(=O)c1[nH]nc2c1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 28525932 XYYQUSQQASXEKW-KJOVKWNASA-N 351.450 3.045 0 1 FGAF Cn1c(=O)c(Nc2ccc(NC(=O)c3ccc[nH]3)cc2)nc2ccccc21 28522995 ZVTDVUNFELQMPV-UHFFFAOYSA-N 359.389 3.258 0 1 FGAF COc1cccc(-c2cccc(-c3ccn(C[C@H]4COCCO4)n3)c2)n1 20149085 RQVGISPRXJZNHU-KRWDZBQOSA-N 351.406 3.036 0 1 FGAF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1O2 26579435 GWGUPRNQVJIAAS-REWJHTLYSA-N 372.202 3.115 0 1 FGAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](OC)C[C@H]1[C@H]2C(=O)OC 2356672323 FPYWPRHZJJOPJP-XFWGSAIBSA-N 368.477 3.467 0 1 FGAF FCCOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1 29134163 RGBHOSATWXCXSR-UHFFFAOYSA-N 354.429 3.005 0 1 FGAF O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C1CC1 6885553 DMJQJYKNIPWRPC-DENIHFKCSA-N 371.440 3.015 0 1 FGAF biogenic CN(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O 35047313 DLGRCNDWDMSUDW-YSFYHYPLSA-N 374.484 3.287 0 1 FGAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@H]3c1cccc(F)c1 45337228 TWDCWLXKCXORHJ-NRFANRHFSA-N 351.425 3.438 0 1 FGAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c(C)cc14)[C@@H]32 84603244 ADSPPDVBJPIBSG-FKBYEOEOSA-N 366.461 3.235 0 1 FGAF biogenic O=C(NCCc1nc2cc(C(F)(F)F)cnc2[nH]1)OCc1ccccc1 587228483 QILQYQQDPFJZOA-UHFFFAOYSA-N 364.327 3.446 0 1 FGAF N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587029968 WEBUMRDUGYXKBO-SSDOTTSWSA-N 363.315 3.311 0 1 FGAF CC(C)[C@@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756739 FGHXVTCLVLMNCG-QLJPJBMISA-N 367.266 3.151 0 1 FGAF O=C(c1ccc(N2CCOCC2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874916 FKIRMPKMEWEJOG-UHFFFAOYSA-N 365.364 3.320 0 1 FGAF O=C(O)c1cc(F)cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962767545 PNGWEJPTEXADJZ-LSDHHAIUSA-N 367.298 3.259 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc3c(c1)COC(C)(C)O3)NCC2 962930434 YCUFJPUVCGHGAY-HXUWFJFHSA-N 366.461 3.269 0 1 FGAF COc1ccc2cccc(CCN3C(=O)C(Cl)=C(Cl)C3=O)c2c1 169311993 AGMFGVTZVIUAEP-UHFFFAOYSA-N 350.201 3.449 0 1 FGAF COc1ccc2c(C(=O)N(C)CC(=O)O)c(F)ccc2c1C(F)(F)F 3793304 HQBKQCDATXZEMF-UHFFFAOYSA-N 359.275 3.163 0 1 FGAF O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(Cl)c3)ccc2O1 103251766 HQPPBHVVNFVKJJ-UHFFFAOYSA-N 359.794 3.281 0 1 FGAF CN1c2cccnc2CN(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1CO 2356293892 LXIHEOPYGCQYGC-MRXNPFEDSA-N 365.399 3.303 0 1 FGAF CCCNC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCOC2 101500820 KJXQJKGIDTXDBB-BZPMIXESSA-N 362.495 3.335 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 101763391 XNCWDLBBWYSKHK-ONIVQRGHSA-N 367.489 3.206 0 1 FGAF O[C@@H](CCN1CCN(c2ccccc2Cl)CC1)COc1ccccc1 29486692 QWIATLITSFZWRE-KRWDZBQOSA-N 360.885 3.292 0 1 FGAF CCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCOC2 101500837 OENRDPZAKUHRRQ-TWABTFKJSA-N 374.506 3.335 0 1 FGAF COc1ccccc1C(=O)n1c(=O)oc2c3ncccc3c(Cl)cc21 28251462 KYDFALAUTWOYPA-UHFFFAOYSA-N 354.749 3.493 0 1 FGAF Cn1ncc2c1CCOC21CCN(N2CCC(c3ccccc3)CC2)CC1 72118457 VXXJYGGZSCZXOV-UHFFFAOYSA-N 366.509 3.079 0 1 FGAF CC(=O)Nc1ccc(Sc2ccccc2OCCN(C)CC(=O)O)cc1 40565383 AMFGQKPBBLWRQP-UHFFFAOYSA-N 374.462 3.191 0 1 FGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2nocc2C1 40895645 FVLVETKUEQQGET-OAQYLSRUSA-N 368.525 3.066 0 1 FGAF in-vivo COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 40548209 PRYUUYRGVGJMAB-GHDARCQNSA-N 366.461 3.332 0 1 FGAF COc1cc(C[C@H]2NCC[C@@H]3C(F)=C(O)C(O)=C[C@@H]32)cc(OC)c1OC 195046603 IUCYJGARTZONQF-RWMBFGLXSA-N 365.401 3.044 0 1 FGAF CNc1nc(NCCc2ccc(O)cc2)nc2cc(OC)c(OC)cc12 82137854 VARUYVDNFFZSOH-UHFFFAOYSA-N 354.410 3.049 0 1 FGAF COc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(Br)cc43)c2c1 145791352 FATHFHKLZCFYCQ-KRWDZBQOSA-N 373.206 3.127 0 1 FGAF Cc1ccc(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1 95565191 JGOHVYZESCTSNX-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF COc1c([C@@H]2CO[C@@H]3C=C(O)C=C(O)[C@@H]3C2=O)ccc(O)c1CC=C(C)C 97608015 GBQGFJSECZVLKZ-IPELMVKDSA-N 372.417 3.475 0 1 FGAF biogenic,in-vitro Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccccc3)c(=O)c2c1 299834082 TXWJUPXLQLQZDN-UHFFFAOYSA-N 367.459 3.279 0 1 FGAF COc1ccc(S[C@H]2CC(=O)N2C(=O)NCc2ccccc2)cc1OC 299863353 LAQGDBUHNLLVCP-SFHVURJKSA-N 372.446 3.264 0 1 FGAF CCc1ccc(N2C(=O)N(C3CC3)[C@]3(OC(=O)c4ccccc43)C2=O)cc1 653845407 QYWJVMQMZUJYAZ-OAQYLSRUSA-N 362.385 3.203 0 1 FGAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587071287 ZJDJZNIVNRKXJT-VIFPVBQESA-N 355.751 3.262 0 1 FGAF O=C(O)c1cc[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592376 YGXRFXXIQBPRBM-KBXCAEBGSA-N 351.314 3.121 0 1 FGAF CCn1cc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c(C)n1 587652729 GTOIZRMAUSYNSC-UHFFFAOYSA-N 366.812 3.021 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)O2 587402365 ZOCUQESKXLHYEE-KRYHZZBUSA-N 358.438 3.453 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2N)N1 587743609 DWCZRWWNGKMOHE-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(C)ccnc4[nH]3)cc12 587037319 HMGDNNDSLMBRAK-JTQLQIEISA-N 354.439 3.014 0 1 FGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(Cl)c3[nH]2)cc1 586931999 RPNKGPZRUVQVSC-UHFFFAOYSA-N 365.842 3.046 0 1 FGAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617810 QZAUDCXWSLXBPH-MAUKXSAKSA-N 352.298 3.386 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCCc1ccccn1 587871982 RPRPEZXCTRSTCR-UHFFFAOYSA-N 354.385 3.283 0 1 FGAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(O)c1Br)NCC2 962917033 YPFFVKHNEDAKFM-MRXNPFEDSA-N 350.260 3.247 0 1 FGAF Cc1ccc(CCS(=O)(=O)n2c(O)nc3ccc(Cl)cc32)cc1 1772596847 PDEQTDMQRKQUGF-UHFFFAOYSA-N 350.827 3.124 0 1 FGAF Cc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1 13759354 XTVSAOCUGHTFMT-UHFFFAOYSA-N 361.555 3.209 0 1 FGAF CCCCCCCCCCCC[C@@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 14300009 MPFLKMQGGVNBJS-KBXCAEBGSA-N 360.447 3.289 0 1 FGAF biogenic CN1C[C@H]2C[C@@H]1CN2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 19362207 AXGKYFAKZIXSBN-WOJBJXKFSA-N 358.432 3.459 0 1 FGAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(N4CCOCC4)c3)cc21 205098096 LDJCNHAJXUXURM-UHFFFAOYSA-N 374.444 3.401 0 1 FGAF Oc1ccc2c([C@H](O)CNCCCCc3ccccc3)ccc(O)c2n1 1857593475 XTSQXAZWPKNSEM-LJQANCHMSA-N 352.434 3.292 0 1 FGAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(OC(F)F)ccc12 59185411 GUKIAYZQCGKGEC-UHFFFAOYSA-N 350.365 3.412 0 1 FGAF COc1cc2ncc(C(N)=O)c(Nc3ccc(N(C)C)cc3)c2cc1OC 53185007 YGLKAAKDFFGUNT-UHFFFAOYSA-N 366.421 3.161 0 1 FGAF CONC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 29050352 UVYFJCBDVFCFAR-UHFFFAOYSA-N 374.404 3.159 0 1 FGAF CCCCNC(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27558489 KIMMWCCCBWYGKQ-MRXNPFEDSA-N 366.933 3.262 0 1 FGAF COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28527720 PRYUUYRGVGJMAB-JYLXEMOASA-N 366.461 3.332 0 1 FGAF CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCOCC2)c[nH]c1=S 28338746 ZJALNFHDACXAOP-AWEZNQCLSA-N 367.421 3.296 0 1 FGAF Cc1cccc(SCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 29217688 UTRNYKAEOKECMV-UHFFFAOYSA-N 353.495 3.473 0 1 FGAF COc1ccc([C@H](O)Cn2nc(-c3ccc(Cl)cc3)cc2CO)cc1 66259073 KNLCPKODLFLZFI-LJQANCHMSA-N 358.825 3.438 0 1 FGAF Cn1cc(-c2c(-c3cn(C)c4ncccc34)nc(N)[nH]c2=O)c2ccccc21 84690316 BBACRXMYFUHYBJ-UHFFFAOYSA-N 370.416 3.065 0 1 FGAF CC(C)(N)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40428683 CRDGZLGWVGALRR-UHFFFAOYSA-N 362.412 3.373 0 1 FGAF C[C@H]1COc2c(CNc3ccccc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473244581 OHOKOMFPGKXSSQ-NSHDSACASA-N 368.364 3.404 0 1 FGAF NCCOCCOCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587245859 FPRZGHOAKCBCPN-UHFFFAOYSA-N 357.479 3.249 0 1 FGAF C[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)Cc2ccc(F)cc2C(=O)O1 587173937 KZWYGBRYNJURMZ-LJQANCHMSA-N 354.337 3.102 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587231527 PBKNSYIAZQOXPS-UWVGGRQHSA-N 355.360 3.017 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586963034 XAZQPKBLKCRFPT-VKHMYHEASA-N 359.308 3.050 0 1 FGAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1Cc1ccco1 587393120 YYFRVROMBOQQBN-FQEVSTJZSA-N 352.390 3.211 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 587137032 PPTUXKLBHYPVEJ-UHFFFAOYSA-N 355.341 3.023 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587053002 YALPUUSHWFEFFY-SECBINFHSA-N 367.739 3.486 0 1 FGAF CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587780771 IEKVNVYTFBRKFW-UHFFFAOYSA-N 360.435 3.334 0 1 FGAF Cc1nccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774803 XXLWBZYPNMZNJR-JDNHERCYSA-N 350.235 3.484 0 1 FGAF O=C(O)CCN(CCc1nc2ccnc(Cl)c2[nH]1)Cc1ccccc1 587193173 CAJDDDDILIHNFG-UHFFFAOYSA-N 358.829 3.131 0 1 FGAF Cc1cccc(-c2ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc2)c1 166466828 YPFSBNIQLXJBQV-GOSISDBHSA-N 369.417 3.029 0 1 FGAF CC(C)(C)[C@H](N)C(=O)Oc1ccccc1C(=O)Nc1ncc(Cl)s1 1772622740 UOXSCWSIQODULA-GFCCVEGCSA-N 367.858 3.328 0 1 FGAF COc1c(C(C)=O)ccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1 5884416 CZVZTRQYAQOLCN-UHFFFAOYSA-N 365.792 3.450 0 1 FGAF O=C(NCCc1cccs1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11842397 DFHCTROSBTYOHP-INIZCTEOSA-N 374.481 3.027 0 3 FGAF NC(=O)N(O)Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1 13603993 QHQSZSOPMMSJTG-UHFFFAOYSA-N 353.378 3.233 0 1 FGAF Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 15063540 JBRUYZCFILJJOM-GOSISDBHSA-N 362.433 3.485 0 1 FGAF O=C1C[C@@H](c2ccccc2)CN1c1ccc2c(N3CCNCC3)ccnc2c1 169347299 DLCABXCLMCCNAX-GOSISDBHSA-N 372.472 3.165 0 1 FGAF CCOc1ccc(-n2cc(O)c(-c3nc4ccccc4c(=O)[nH]3)c2N)cc1 169691243 QBTFHXQEWVHKBM-UHFFFAOYSA-N 362.389 3.067 0 1 FGAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 169723961 PQFSOZYHJGHBCM-NVXWUHKLSA-N 359.422 3.355 0 1 FGAF CCOC(=O)[C@H]1C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc(OC)c1 169726030 ICHYZHZZUDJRPQ-FUHWJXTLSA-N 368.458 3.293 0 1 FGAF COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1 26395319 XLOYPGFCGATBTE-UHFFFAOYSA-N 359.353 3.109 0 1 FGAF c1cc2cc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)[nH]c2cc1C1=NCCN1 6535078 DOTIHCJDACUXSS-UHFFFAOYSA-N 368.444 3.016 0 1 FGAF Cc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)n1 2356300015 SDLCJZXFYUYDFU-VQIMIIECSA-N 354.429 3.016 0 1 FGAF COc1ccc([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)c(OC)c1 103282663 DVRJAILEZOMINM-UYAOXDASSA-N 355.434 3.176 0 1 FGAF CCN(Cc1ccccc1)C[C@@H](O)COc1cc(C)c2[nH]c(=O)ccc2c1 27183292 LMNJKQLYRWKDOV-LJQANCHMSA-N 366.461 3.098 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CO)[C@H](C1)[C@@H](O)C[C@H]32 2356593476 LMHAUQDUAZPPMU-FDVPQUQYSA-N 350.499 3.152 0 1 FGAF CCN1C(NCC(C)C)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C 66166900 IFSYXAWGAODQOG-WDSOQIARSA-N 359.514 3.103 0 1 FGAF CC(C)(C)c1cc(N2CCNCC2)n2nc(-c3ccc(F)cc3)cc2n1 72186484 ZFXSJTRRJVSPFL-UHFFFAOYSA-N 353.445 3.243 0 1 FGAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3c(F)ccc(C)c3F)C[C@H]12 74379477 SPLSQXYMUFOEIH-GOEBONIOSA-N 356.372 3.457 0 3 FGAF Cc1ccc(S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)cc1 1911578566 NXSLTQLSKFUBCV-UHFFFAOYSA-N 369.486 3.020 0 1 FGAF COC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 224677831 AAACGYYPWMUUFL-LJQANCHMSA-N 363.417 3.419 0 1 FGAF Cc1cc2c(c(O)c1/C=C/C(C)C)C(=O)[C@@H](O)[C@@H](c1ccc(O)cc1O)O2 238777972 QKFCFTIQHYXZRG-BMAGUTBCSA-N 370.401 3.458 0 1 FGAF C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 96270793 RSHHUIIGMVULDH-SNVBAGLBSA-N 367.375 3.165 0 1 FGAF O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 96269686 LSQVHDRSPDDZCD-UHFFFAOYSA-N 351.280 3.194 0 3 FGAF CN(c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149041300 ZFQPKPKMLYGAEJ-GFCCVEGCSA-N 362.359 3.087 0 1 FGAF OCCc1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621485598 ABRHTEDMNROABY-UHFFFAOYSA-N 359.433 3.005 0 1 FGAF c1ccc2c(=NCCCCCN3CCCC3)[nH]c(N3CCCC3)nc2c1 473114947 PNPSFAZKCKIHIX-UHFFFAOYSA-N 353.514 3.330 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OCC)no1)CC2=O 587484475 PHXZYPXNFBELNZ-IBGZPJMESA-N 359.378 3.390 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc4ccc(O)cc34)[nH]c12 587031291 CPDNBMDXAQRHDH-UHFFFAOYSA-N 373.459 3.401 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ncnn23)N1 587798392 VMCKNBBXSZNPOZ-JDNHERCYSA-N 361.218 3.255 0 1 FGAF COc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144319 LQIVUGJNZWVWLH-NSHDSACASA-N 365.206 3.111 0 1 FGAF CC(=O)C(C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811865 HXSHMCKEZGXEFZ-ZKANADHPSA-N 356.235 3.132 0 1 FGAF COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587201314 KBTRDGTVCKQGGI-UHFFFAOYSA-N 352.394 3.250 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cn2)OCO3)N1 587778197 LKXPVBLFLUVYLW-ZKANADHPSA-N 365.202 3.336 0 1 FGAF Nc1c(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)cc1C(F)(F)F 587368297 GKFLUUSSNMZWMV-UHFFFAOYSA-N 356.691 3.357 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1cccn(C(F)F)c1=O)N(C)[C@H](C)C2 962633300 VDAODCZJAZCDOO-BZNIZROVSA-N 364.392 3.226 0 1 FGAF CC1(C)CNC(=O)C[C@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962696454 FJGJZQYJXOLOMR-XOBRGWDASA-N 362.514 3.321 0 1 FGAF Cc1nc2sc([C@@H](c3ccccc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 13147437 GOAMXJOTLKPXBX-TYNCELHUSA-N 358.467 3.003 0 3 FGAF CNC(=O)C[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491904 FZOYRIYTSQLEGS-HXUWFJFHSA-N 364.489 3.255 0 1 FGAF Fc1ccc(/C=C2\CNC[C@@H]3[C@H]2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 169308440 JBCXXGLQQIFZNP-QBYPCSEGSA-N 371.456 3.155 0 1 FGAF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709151 VLORPCHYYGAWDO-MGPUTAFESA-N 369.465 3.335 0 1 FGAF CN(C)CCC(C)(C)N=c1cc(-c2ccncc2F)[nH]c2cnccc12 1857553795 QWWVVXCUKFHFAZ-UHFFFAOYSA-N 353.445 3.395 0 1 FGAF NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1 1857749118 MESBLDGGOJIGJO-HSZRJFAPSA-N 374.532 3.490 0 1 FGAF c1cc(C2=NCCN2)cc(-c2ccc(-c3cccc(C4=NCCN4)c3)o2)c1 6525382 KSLFYYAKRHCZGA-UHFFFAOYSA-N 356.429 3.313 0 1 FGAF Cc1ccc(F)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NCC(C)C 103172846 AMRWAPXSFMKNNV-UHFFFAOYSA-N 358.417 3.179 0 1 FGAF Cc1nc(N)c2ccc(-c3nn(C)/c(=N\C4CCCCC4)s3)cc2n1 100658910 OBFFFLYGIGCWNB-RELWKKBWSA-N 354.483 3.216 0 1 FGAF CCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 61908568 GQTVQIDBYLCWEQ-NRFANRHFSA-N 354.498 3.215 0 3 FGAF CCNC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(Cl)cc1 61897467 UUUPHTSQMULTKR-UHFFFAOYSA-N 358.829 3.183 0 3 FGAF CC[C@@H]1CN2CC[C@]3(CNc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356661016 PZTSJGMDSOZBEK-UARLMTKWSA-N 370.493 3.174 0 1 FGAF COc1cc(O)ccc1[C@@H](O)C(=O)Cc1ccc2c(c1)C=CC(C)(C)O2 2356678058 QFFFCSBONHSYCH-HXUWFJFHSA-N 354.402 3.430 0 1 FGAF O=C(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccc(Cl)cc1 2356735739 IGRRQSVPKGRXPW-CQSZACIVSA-N 359.788 3.330 0 1 FGAF CNC(=O)[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26577331 CMYKDNNFSTVULM-NRFANRHFSA-N 350.462 3.410 0 1 FGAF COc1ccc(CNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 35077848 CGMKVHOIAYZASS-UHFFFAOYSA-N 361.449 3.363 0 1 FGAF COc1cc(C[C@@H]2NCC[C@@H]3C=C(O)C(O)=C(F)[C@@H]23)cc(OC)c1OC 195036996 ZSESSFIOOIMOHZ-BFQNTYOBSA-N 365.401 3.044 0 1 FGAF Cc1ccc(-c2nc(C(=O)NCC(=O)NCCC3=CCCCC3)co2)cc1 82071933 KKDMHERFENAWSK-UHFFFAOYSA-N 367.449 3.387 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)N1CCN(C)CC1 199245468 ATYDGXUKYCCVNS-OAQYLSRUSA-N 365.521 3.491 0 3 FGAF NC1=N[C@]2(CO1)c1cc(-c3cncc(OC(F)F)c3)ccc1OCC21CC1 149003449 UNYXJDJEOAZPJZ-LJQANCHMSA-N 373.359 3.063 0 1 FGAF CCCCC[C@@H](O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 90428172 XEYBRNLFEZDVAW-AEWPXJHSSA-N 352.471 3.251 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 299887631 ZEFAKLOGOFOCJS-RMYQPGKMSA-N 366.461 3.302 0 1 FGAF COc1cccc(-c2cncc(C(=O)N3CC(=O)Nc4ccccc43)c2)c1 473086782 CRJPQOWRLWVCQA-UHFFFAOYSA-N 359.385 3.356 0 1 FGAF CCn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583221 UTIWCNHFJCOGMH-FXAWDEMLSA-N 350.374 3.486 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ccnc3[nH]2)CCC(=O)CC1 587236110 ZTCDUOMTPVFWFF-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587489783 PBPRCYMEPNMEJY-OBVPDXSSSA-N 372.417 3.139 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587816721 CANJKVSBYJNDPT-OCAXQNDTSA-N 368.246 3.276 0 1 FGAF Cc1ccnn1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582581 QAQAMTOFMMWTOC-PXNSSMCTSA-N 350.374 3.318 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C(=O)O)Oc3ccc(Cl)cc31)O2 587380042 OKPXBDPUTPXSQW-VQIMIIECSA-N 373.792 3.327 0 1 FGAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N(C)C 587385910 FUOOUOAOHIOTIU-SFHVURJKSA-N 354.406 3.136 0 1 FGAF CCOC(=O)Cc1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 587786067 GQJTVHLNZWHUSY-UHFFFAOYSA-N 368.389 3.165 0 1 FGAF NS(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074464 VOFFHPFAACFDEI-UHFFFAOYSA-N 361.854 3.334 0 1 FGAF COC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833807 ICNACCSNUNZWDX-BONVTDFDSA-N 358.251 3.359 0 1 FGAF O=C1C[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)CN1Cc1ccc(F)cc1F 587150357 SVKABFUSQBWQBR-GFCCVEGCSA-N 367.359 3.234 0 1 FGAF CCN1C(=O)C[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587759777 MTRRPFRGGKUQPS-BTDLBPIBSA-N 367.262 3.474 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3CCN(CC3)C2)N1 587790815 JAMDLPHSTUCBIE-APPDUMDISA-N 353.279 3.433 0 1 FGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 586971542 YYCQAVPWGLNQLD-UHFFFAOYSA-N 369.446 3.484 0 1 FGAF Cc1nc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2n1 587587973 QVOPARZWFNDWOY-NQIIRXRSSA-N 373.368 3.446 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1[C@@H](O)C(=O)O)CC2=O 587475854 AVROIPLONGXNDR-WIYYLYMNSA-N 370.401 3.343 0 1 FGAF CCC[C@@]1([C@H](CC2CC2)C(=O)OCC)NCCc2nc3ccccn3c21 962989255 ZKNLPTGPBLLEHB-IERDGZPVSA-N 355.482 3.455 0 1 FGAF CC1(C)OC[C@H](COc2ccc([N+](=O)[O-])cc2)N1C(=O)c1ccccc1 219776282 MWVNXWFBYZSXDU-INIZCTEOSA-N 356.378 3.251 0 1 FGAF biogenic COc1ccc(CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)cc1OC 13153618 BPAKSIHVBSJWKO-FYXYJPLOSA-N 369.461 3.224 0 1 FGAF Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2C)c1 13814300 YMRWZBOJHQJZBM-DNVCBOLYSA-N 363.417 3.203 0 3 FGAF COc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC 13863216 FVZAOOBWDJAZSH-LBPRGKRZSA-N 352.390 3.245 0 1 FGAF Cc1cc([C@]23O[C@@H]4COC(C)(C)O[C@@H]4[C@@H]2OC(C)(C)O3)nc2ccccc12 17255923 ZUAHQDPDUQIUOG-CNTRQJEFSA-N 371.433 3.398 0 1 FGAF CCCCC/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)O 169622160 RIBVJRIPUIBKFY-AGPMVNMISA-N 352.471 3.251 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3nncs3)CC2)CC1 1857550600 MQSCYYUEIMITFW-INIZCTEOSA-N 373.526 3.180 0 1 FGAF O=C(NC1CC1)C1CCC(Cn2c(=S)[nH]c3ccsc3c2=O)CC1 2932265 VMXDUGHQVGBEMN-UHFFFAOYSA-N 363.508 3.206 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@H]1[C@H](OC(C)=O)[C@@]4(C[C@H]12)C3=Nc1ccc(OC)cc14 2356410019 ZCVCMEPRSGMRMX-WBBSLOJNSA-N 364.445 3.003 0 1 FGAF Cc1nn(CCCC(=O)N2CCCC2)c(=O)c2c1sc1ccccc12 6799384 JXEGETAWLDMPMN-UHFFFAOYSA-N 355.463 3.322 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN4C[C@H](C)[C@H](CC[C@]31CO)[C@H]42 2356420889 QXIYBJSJMAMZDQ-KVLFQYKSSA-N 373.537 3.395 0 1 FGAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 61904062 AAYSDZOJHOPOTL-LBPRGKRZSA-N 359.344 3.391 0 3 FGAF CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2ccccc12 29225065 BYICFESQQALZGO-FQEVSTJZSA-N 363.413 3.450 0 1 FGAF COc1c(C(C)C)cc(O)c2c1CC[C@@]1(O)C3=C(CC[C@]21C)C(=O)OC3 2356691176 ZUXXDOUXNWRZDC-NHCUHLMSSA-N 358.434 3.106 0 1 FGAF CCOc1nc(C)ccc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226071742 UDTQEQKOFPDGFC-BQFCYCMXSA-N 367.449 3.256 0 1 FGAF Cc1cnc(Nc2cccc(CCN3CCOCC3)c2)nc1NC(C)C 45202533 GIWURTAHRYQBGH-UHFFFAOYSA-N 355.486 3.224 0 1 FGAF CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)C 137513243 REOAFLKDMUDWNA-GIIOCFOQSA-N 362.466 3.481 0 1 FGAF in-vitro O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2ccccc2F)O1)C1CCCCC1 95869156 VHFRBPBBWHTYOV-DFQSSKMNSA-N 360.473 3.254 0 1 FGAF C[C@@H]1C[C@H]2C[C@@H](O)[C@]34C[C@H](OC(=O)c5ccccc5)CN5C[C@H]3C[C@H]2[C@@]54C1 238735909 JDNADLAUPUHONX-CSOVGVJKSA-N 367.489 3.103 0 1 FGAF CC(C)(C)c1cc(C(=O)Nc2cccc(CN)n2)n(Cc2ccccc2)n1 299820779 DRBIRTCRCIAPSU-UHFFFAOYSA-N 363.465 3.335 0 1 FGAF CC(=O)Oc1ccccc1[C@H]1CC(C)=NN1C(=O)CN1CCCC[C@@H]1C 653735414 ABQIAKCWWIJKJZ-MAUKXSAKSA-N 357.454 3.136 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)c(F)cc3[nH]2)cc1 587227924 BLSHETJPDZAHAP-UHFFFAOYSA-N 374.347 3.340 0 1 FGAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccnc(O)c4[nH]3)c2)c1 587236321 UPSQBZGPEYPPOT-UHFFFAOYSA-N 358.401 3.281 0 1 FGAF O=C(O)CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603839 PUXAPHVGLVQBME-XLIONFOSSA-N 354.358 3.367 0 1 FGAF CCOc1ccc(-c2nn(C(=O)NC)c(=O)c3ccccc23)cc1OCC 587668511 CNFCMACSURGRHU-UHFFFAOYSA-N 367.405 3.048 0 1 FGAF CCOC(=O)C[C@]1(CN2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587513092 HKYQIOQGLPUPHV-QFIPXVFZSA-N 371.477 3.318 0 1 FGAF CCOC(=O)[C@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398169 CIELFNCUBGROJL-NRFANRHFSA-N 353.418 3.477 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2)N1 587827996 NEADZCRHIJQMAQ-BTDLBPIBSA-N 364.214 3.451 0 1 FGAF O=C(O)c1cccnc1SCc1nc2c(Br)ccnc2[nH]1 586967484 ZJDLXGWZTPNYIZ-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF COc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1C 587008959 POSGGOPHQVBAAB-UHFFFAOYSA-N 358.199 3.352 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587451589 IJYSCPCOTKJKKP-YCRPNKLZSA-N 350.370 3.264 0 1 FGAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774347 MRGZHIQYTMDMAV-XLKFXECMSA-N 352.207 3.010 0 1 FGAF Nc1ccc(F)c(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587141606 WVNINPHJUZUHEJ-UHFFFAOYSA-N 373.331 3.169 0 1 FGAF COC(=O)c1cc2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc2cc1OC 587934394 DJWLLITZIITNIM-ADLMAVQZSA-N 370.405 3.204 0 1 FGAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc(Cl)c1OC 962911121 OVURLUVIRYZQJN-GOEBONIOSA-N 365.788 3.185 0 1 FGAF O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nc(Cl)ncc1O 1857559360 MUPNTXYPYTYPGY-UHFFFAOYSA-N 368.629 3.084 0 1 FGAF CNC(=O)c1cc(Oc2ccc3c(C)c(C(=O)N(C)C)sc3c2)ccn1 1772606822 QNUYGPGVKXCNRI-UHFFFAOYSA-N 369.446 3.458 0 1 FGAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3C[C@H](O)Cc2ccccc2)c1 1772617856 OEPRBIZQOXUSFS-YPAWHYETSA-N 364.489 3.100 0 1 FGAF COc1ccc(CCN2CCC[C@@H](CN(C)Cc3[nH]cnc3C)C2)cc1 11819442 PBRIGMMCQVJJOD-IBGZPJMESA-N 356.514 3.113 0 1 FGAF Cc1c(C(=O)c2ccc(O)cc2)c2ccccc2n1CCN1CCOCC1 13742543 AABVOQWCRNMZEW-UHFFFAOYSA-N 364.445 3.219 0 1 FGAF C[C@H]1C[C@H](C)[C@@H](O)[C@@H]([C@@H]2C[C@@H](CC(=O)NC3CCCCC3)CC(=O)O2)C1 17260336 GZWODCBDYVQTID-HGYWPXRBSA-N 365.514 3.190 0 1 FGAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C(C)C)N2CC2CCCC2)cc1 169721158 FGJFHAXXXSPFQQ-FPOVZHCZSA-O 356.534 3.108 0 1 FGAF COc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2ccc(C)cc2)C1=O 200052434 FWSJVNMICJTKCJ-LJQANCHMSA-N 366.461 3.315 0 3 FGAF O=C(COc1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205223007 KLSRPWWAQIBPAO-CJNGLKHVSA-N 374.799 3.119 0 3 FGAF N[C@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1 205251987 JAOCMDKJISHOCW-AWEZNQCLSA-N 374.423 3.363 0 1 FGAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@H]1c1c[nH]c2ccccc12 2469377 ZFVNFLGVJXINGQ-VQTJNVASSA-N 359.429 3.357 0 1 FGAF CCOc1ccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1 100999315 DMCZJPNTAVYVIL-SCLBCKFNSA-N 351.468 3.222 0 1 FGAF COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2c1 29136179 XOGGEEREHAZNQH-UHFFFAOYSA-N 370.405 3.026 0 1 FGAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)cc1 64348987 OIQVVMKIRCJNFA-KRWDZBQOSA-N 350.443 3.242 0 1 FGAF CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1 26716640 LIHQCVPFINJLRH-UHFFFAOYSA-N 366.444 3.455 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(COC1)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2[C@@H](O)[C@H]13 2356787055 TVXDWALFLWGXFF-UJEMORLASA-N 360.450 3.432 0 1 FGAF COC[C@]1(OC)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@@H](O)[C@@H]2C 2356826213 HWCZSAJXKSHKFY-CSXWMVMESA-N 364.526 3.479 0 1 FGAF CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1 63539193 PROLIXHVRCJEFH-UHFFFAOYSA-N 351.414 3.044 0 1 FGAF O=C(O)C[C@@H]1C[C@@H](O)CN1CCC=C(c1ccccc1)c1ccccc1 38345035 XFXHMSATEXGCHY-VQTJNVASSA-N 351.446 3.418 0 1 FGAF COc1cc(C(=O)NCc2cc(F)c(F)c(F)c2)ccc1-c1cn[nH]c1 213996544 CJGPSZKKXISGIT-UHFFFAOYSA-N 361.323 3.433 0 1 FGAF COC(=O)Cc1ccccc1OC(=O)Cc1ccc(Br)cc1 40420825 FVBBPTGPUXDAAO-UHFFFAOYSA-N 363.207 3.313 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C)c1C)C2 225945492 UVTFUAIMFMKTMF-ZDUSSCGKSA-N 361.449 3.379 0 1 FGAF Cc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c(C)c1 42878036 CGQHUKUKWCNXIQ-UHFFFAOYSA-N 354.431 3.313 0 1 FGAF CCN1C(=O)N([C@@H](C)c2ccccc2)[C@]2(OC(=O)c3ccccc32)C1=O 84615860 DSJNRBFZOXCSOU-RNODOKPDSA-N 350.374 3.055 0 1 FGAF c1ccc2nc(N3CC(Oc4nccnc4N4C[C@H]5CC[C@@H]4C5)C3)ccc2c1 96168709 WOQCNPFMHMBHCG-DOTOQJQBSA-N 373.460 3.281 0 1 FGAF CCCn1c(-c2ccccc2F)nc2ccc(N3CCN(C)CC3)nc21 95581775 OXTYBRUTCLFZEY-UHFFFAOYSA-N 353.445 3.399 0 1 FGAF c1ccc2nc(N3CC(Oc4nccnc4N4C[C@H]5CC[C@H]4C5)C3)ccc2c1 261183199 WOQCNPFMHMBHCG-RDJZCZTQSA-N 373.460 3.281 0 1 FGAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccs3)c2)c1 653912798 CFOSIODAMYWIRO-UHFFFAOYSA-N 353.403 3.073 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1/SCC(=O)N1C)(C(C)(C)C)O2 587412416 CCMTVXPIPIJCIA-HVRVZBDQSA-N 360.479 3.374 0 1 FGAF CC(C)(C)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 587257623 IAIVSNXIWKNPGB-MRVPVSSYSA-N 364.618 3.262 0 1 FGAF N=c1[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2c(Cl)[nH]1 587017949 UICFEZCIKOPFGZ-UHFFFAOYSA-N 370.825 3.096 0 1 FGAF COC(=O)c1cccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 587117554 UIUOTJBGUDGDLC-UHFFFAOYSA-N 358.707 3.422 0 1 FGAF O=C(COc1cc(F)ccc1F)n1ncc2ccc(Cl)cc2c1=O 587652196 XLOPYTCCYXTQBE-UHFFFAOYSA-N 350.708 3.047 0 1 FGAF N=c1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(Cl)[nH]1 587656943 MWUGGKNLJOURBP-UHFFFAOYSA-N 367.771 3.048 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cncc(C)c2[nH]1 586985641 XFWKISNKXSENAT-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF COC(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592802 KNMOXBAPPHWJLF-YLJYHZDGSA-N 356.374 3.312 0 1 FGAF CN1CCN(c2ccc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c3c2)CC1 587115730 ZFORXQHLCXUZQC-UHFFFAOYSA-N 363.387 3.339 0 1 FGAF COc1cc(C)c(O)n1-c1cc(Br)cnc1Br 587941183 RREFRGCNXAOJLV-UHFFFAOYSA-N 362.021 3.420 0 1 FGAF NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1 118263483 LJQFIAYIVWMEKG-UHFFFAOYSA-N 350.813 3.177 0 1 FGAF COC(=O)Nc1noc2cc(-c3c(-c4ccncn4)n[nH]c3C)ccc12 1772651147 UNCCAYZSDMFJQH-UHFFFAOYSA-N 350.338 3.162 0 1 FGAF Cc1ccc2[nH]c(C3CCN(CC(=O)N4CCCCCC4)CC3)nc2c1 5054733 CAADCEIIZLWESS-UHFFFAOYSA-N 354.498 3.453 0 3 FGAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 169332707 ZCTSKBWACUAFIA-SJLLCEKRSA-N 366.457 3.401 0 1 FGAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1 166032177 PDBGOBDVQXENFX-UHFFFAOYSA-N 352.438 3.405 0 1 FGAF Cc1coc2ccc(-c3cc(=O)n4[nH]c(=O)c(-c5ccccn5)c4[nH]3)cc12 208564276 PNVANAVODJLBLC-UHFFFAOYSA-N 358.357 3.100 0 1 FGAF O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nnc(Cl)cc1O 1857553153 KYDQAMUQFWXZMQ-UHFFFAOYSA-N 368.629 3.084 0 1 FGAF CCC1(CC)C[C@H](CNC(=O)c2ccc(Br)cc2)OC1=O 103282624 GPLQVDHSUVELNI-CYBMUJFWSA-N 354.244 3.301 0 1 FGAF Cc1ccc(CN(C)C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c(C)c1 102726046 BTPMNKKGWKFXDU-IAGOWNOFSA-N 371.477 3.200 0 1 FGAF Cc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1-c1cccc(C(F)(F)F)c1 28527835 ZSBSNYMQEXQWQT-HNNXBMFYSA-N 366.339 3.421 0 1 FGAF COC(=O)c1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1 68245482 OEYPDGZCSFPTBF-UHFFFAOYSA-N 374.194 3.364 0 1 FGAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3ccccc3)cs2)C1 61908144 VEBMPHJSYOZKLP-FQEVSTJZSA-N 372.490 3.030 0 3 FGAF CN1CCC(NC(=O)[C@]2(C)CCN2Cc2ccc3ccccc3c2)CC1 61929734 HZMRGWHZWRNOFD-QFIPXVFZSA-N 351.494 3.015 0 3 FGAF CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4cnn(C)c4)cn23)cc1 61897485 QUPKHMJJRCQGCQ-UHFFFAOYSA-N 359.389 3.173 0 3 FGAF Nc1nc(N)c2c(Cl)c([S@@](=O)Cc3ccc(Cl)cc3)ccc2n1 32153333 SIUMZMJSCDWBGN-HSZRJFAPSA-N 367.261 3.409 0 1 FGAF c1cc2c(c([C@@H]3OC[C@H]4[C@H]3CO[C@H]4c3ccc4c(c3)OCO4)c1)OCO2 504569234 WDPQLPUISOFTQH-FTUNRGFVSA-N 354.358 3.219 0 1 FGAF biogenic CC(C)Oc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 43061956 JUNZBTTUERRVNR-UHFFFAOYSA-N 360.357 3.353 0 1 FGAF CC(C)(NC(=O)c1cnc(-c2ccccn2)nc1O)c1ccc(F)cc1 84713518 RQTITCXPJHMTDD-UHFFFAOYSA-N 352.369 3.048 0 1 FGAF COc1cc(CNc2nc(N3CCC[C@H]3C)ncc2C)cc(OC)c1OC 82202743 GMZQDDBCKASZQP-CQSZACIVSA-N 372.469 3.412 0 1 FGAF COCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82147153 NKZLCCGLLUSZLK-UHFFFAOYSA-N 354.454 3.183 0 1 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O 42964691 OGCZUZGYQICZQJ-UHFFFAOYSA-N 352.434 3.057 0 1 FGAF COc1ccc([C@H]2C[C@H]3C(Br)=C[C@@H]2C(=O)[C@]32CO2)cc1OC 95784994 IROOANWXDOXFOH-QLQJRFMMSA-N 365.223 3.054 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 586972185 DKQZSYODNGKKIT-ZDUSSCGKSA-N 361.858 3.069 0 1 FGAF C[C@]1([C@@]2(F)CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337938 WIVIEWXHHPFSRB-LSTHTHJFSA-N 374.339 3.304 0 1 FGAF Cc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587775689 UBYCLEIZLRJIGW-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@@H](C)C(=O)O 587401171 QQDPPYBAYCSTNG-GTNSWQLSSA-N 371.389 3.144 0 1 FGAF CC[C@]1([C@H](F)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723261 WGIQAGONHWIFTI-ZXCZTKLOSA-N 362.214 3.239 0 1 FGAF CN(C)c1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525647 OKODMUPSXBZVII-QFIPXVFZSA-N 362.429 3.444 0 1 FGAF N=c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c[nH]1 586920971 AUABKGGZVLBNGD-UHFFFAOYSA-N 364.430 3.011 0 1 FGAF O=C(O)c1ccc(O/C=C2\NNC(=S)N2c2ccc(Cl)cc2)cc1 957884013 WUVTUIUVEHMCFR-NTEUORMPSA-N 361.810 3.115 0 1 FGAF O=C(NC[C@H]1CCCN(C(=O)c2cscn2)C1)c1ccccc1Cl 12003778 UZFYGSNTFQTYHK-GFCCVEGCSA-N 363.870 3.079 0 3 FGAF COc1ccc2ccc(=O)oc2c1/C=C/[C@](C)(O)COC(=O)CC(C)C 13383922 FPSUCNLAFSYJJZ-XTXLJPNXSA-N 360.406 3.155 0 1 FGAF endogenous,in-man CCCCC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCC(=O)O 169622176 VRHOOVVYFPUEHK-KHDCHMTPSA-N 352.471 3.251 0 1 FGAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2nonc2c1 167407608 RYBVKFYWKBZXKA-MRXNPFEDSA-N 367.405 3.494 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2cncnc2NCc2cccs2)c1 4257451 RFWQLUFGFRWUCA-UHFFFAOYSA-N 360.464 3.189 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc2[nH]c(S)nc2c1 100028498 FGLUUJWDJPTNAY-XERWBJCMSA-N 373.434 3.273 0 1 FGAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@@H]3C2)n1 116821567 NSYQEJAIIUUYDV-RTBURBONSA-N 372.472 3.455 0 1 FGAF CC[C@@H]1CCCCc2ccccc2[C@@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 61959152 CDHITIHANXASKS-MDYRTPRTSA-N 360.450 3.323 0 3 FGAF N[C@@H](C/C(=C\CCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 29484052 OQHKCNWWRJOZCR-WPNIOXTASA-N 353.418 3.412 0 1 FGAF CNC(=O)N(C)C[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26175109 STHAVDWMQMIUEL-HXUWFJFHSA-N 365.433 3.118 0 1 FGAF CC(C)(C)c1cc(C(=O)Nc2nc(CO)cs2)n(Cc2ccccc2)n1 73196483 BKLWXCRJUPADLW-UHFFFAOYSA-N 370.478 3.430 0 1 FGAF O=C1[C@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCc1ccccc1 40979805 QJEACQHAHYCTJN-IRXDYDNUSA-N 370.250 3.398 0 1 FGAF CCCCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@H](O)CCCC(=O)O 43772214 RZCPXIZGLPAGEV-LODUWEDZSA-N 354.487 3.043 0 1 FGAF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3F)O2)cc(OC)c1OC 40762940 ZGAAGUVWGGGYLY-LJQANCHMSA-N 374.368 3.091 0 1 FGAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)C1 82142412 QVWUZAUQYDJQGY-KBPBESRZSA-N 354.454 3.359 0 1 FGAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O 95561661 OUEZWZJJIKBFFV-MRXNPFEDSA-N 368.868 3.130 0 1 FGAF COc1ccc(-n2cc3nc(C)nc(NC(=O)Cc4ccccc4)c3n2)cc1 95580839 MOYQYYYVYOOERO-UHFFFAOYSA-N 373.416 3.314 0 1 FGAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2OC)C1=S 95872345 KTWFRBBGOCUWID-UHFFFAOYSA-N 362.451 3.488 0 1 FGAF CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 96903289 YLQFBDYPFRCGJG-SFHVURJKSA-N 359.441 3.381 0 1 FGAF COc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cn1 587204704 ZYFNXTHXYDFYDD-UHFFFAOYSA-N 367.409 3.484 0 1 FGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccc(F)c1)[C@@H](C2)C3=O 587429523 VUDGWAUROIXYNW-YWZLYKJASA-N 356.349 3.342 0 1 FGAF Cn1cnc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587580137 XBSUNXOGPKJJOE-PXNSSMCTSA-N 373.368 3.377 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)CCC(=O)N3C)O2 587401661 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COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587229824 CGFQQOGEMVERIG-SJORKVTESA-N 355.482 3.478 0 1 FGAF Cc1ccnc2c1CCN[C@@]2(C)c1nnn(-c2cccc3ncccc23)c1C 963070200 FOLDTGLXLBIBLJ-QFIPXVFZSA-N 370.460 3.237 0 1 FGAF COc1cc2c(cc1O)[C@@]1(CC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963633346 HVRDIDKUYZGECH-LAJNKCICSA-N 355.434 3.142 0 1 FGAF CC(=O)N1CCN(c2ccccc2[C@H]2NCCc3ccc(F)c(C)c32)CC1 962143684 ILNFHHSOEVQFLP-JOCHJYFZSA-N 367.468 3.038 0 1 FGAF COC(C)(C)[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963145770 OQVZLKNHUXSORW-APPDUMDISA-N 370.471 3.030 0 1 FGAF Cc1cc(F)c([C@]2(C)c3nn(C)cc3CCN2C)cc1Br 963955879 SMPZWCLJOPMJIZ-MRXNPFEDSA-N 352.251 3.382 0 1 FGAF COc1ccc2nc(N3CCC[C@@H]3C(=O)NCCC(C)C)nc(C)c2c1 12158227 PBLTWMWQJRMTTP-GOSISDBHSA-N 356.470 3.078 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@H](O)CC[C@@H]12 13780193 XTKHJBOSUKYGFX-GPEJODLCSA-N 350.455 3.006 0 1 FGAF COc1ccc(OC)c(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1 15680426 MOLIDLVZOJGUHR-UHFFFAOYSA-N 355.350 3.269 0 1 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CNC(=O)Nc1snc(S[C@H]2CCCc3ccccc32)c1C(N)=O 36349005 LHKRNWZSFJYSNE-NSHDSACASA-N 362.480 3.163 0 1 FGAF CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40915564 OLINBEUJWKQKCV-IBGZPJMESA-N 358.507 3.256 0 1 FGAF COc1cc(NC(=O)[C@H]2COc3ccccc3C2)c(F)cc1-c1cn[nH]c1 40899606 CUMAJJLNPKZLIN-CYBMUJFWSA-N 367.380 3.414 0 1 FGAF COc1ccc(CS(=O)(=O)/C=C/c2cc(F)c(F)cc2F)cc1N 84614519 CYEMQFVCEZPYDH-SNAWJCMRSA-N 357.353 3.280 0 1 FGAF CCCN[P@@](=O)(OCCOC)[C@H](C)NC(=O)OCc1ccccc1 40879895 BHXWCTKGYOCFLI-SHACYNPGSA-N 358.375 3.115 0 1 FGAF CCC[C@@H]1C[C@@H](OC)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40914934 GDFIDTXMRHKUHA-UKRRQHHQSA-N 366.849 3.091 0 1 FGAF COc1cc(=O)oc2ccc(CN3CCN(c4ccccc4)CC3)cc12 45495652 BXDIGPDWFQFWGZ-UHFFFAOYSA-N 350.418 3.124 0 1 FGAF Cc1ccccc1-c1cnc([C@H](O)c2cccc(CN3CCOCC3)c2)[nH]1 82083993 NZFDEYFDCWMGCV-OAQYLSRUSA-N 363.461 3.299 0 1 FGAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCCC12CC2 146241732 HPHRSCZEEPEITI-UHFFFAOYSA-N 363.408 3.094 0 1 FGAF Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473106849 YFSPAPVKERHWCP-ZDUSSCGKSA-N 361.369 3.312 0 1 FGAF CC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12 653699465 UMHBIHQZTUMFNE-UHFFFAOYSA-N 350.418 3.138 0 1 FGAF COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cn1 587108865 HEHGKYYZMFZNJU-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF CCOc1ccccc1OCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587779710 DZWCLQTZYOCQFX-UHFFFAOYSA-N 356.378 3.336 0 1 FGAF Cc1c(Br)cnc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc12 587116683 BIDFWMQLFICLNE-UHFFFAOYSA-N 360.137 3.448 0 1 FGAF CS(=O)(=O)/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586926009 LYPYMXNDFQUEIB-IHWYPQMZSA-N 369.162 3.360 0 1 FGAF CCCCNS(=O)(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896099 JZQDNKNEGDWJKB-UHFFFAOYSA-N 373.478 3.132 0 1 FGAF Cc1cnc(N)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587747845 SMCGOODBFJQBFK-VFZGTOFNSA-N 350.235 3.497 0 1 FGAF COCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587796260 PVAVNLGAVKYYMX-VXJOIVPMSA-N 355.207 3.346 0 1 FGAF COc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(OC)c1 587638604 SRHBSBVMLXAJMT-UHFFFAOYSA-N 354.362 3.444 0 1 FGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(C)ccnc4[nH]3)CC2)cc1 586954709 NRVHGOHEZYUYKT-UHFFFAOYSA-N 370.478 3.143 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 586954510 DVVZBHJNSDXRLS-UHFFFAOYSA-N 364.515 3.175 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C(=O)c1cccc(Br)c1)[C@@H](C2)C3=O 587416414 APLRLLXULVKQMI-SCLBCKFNSA-N 373.202 3.457 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)c(Cl)cnc2[nH]1 587225056 MRRDCIORRVNJQV-VIFPVBQESA-N 365.220 3.348 0 1 FGAF COc1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1OCC(=O)NC(C)C 587220107 FBQNKCBTWSISTI-UHFFFAOYSA-N 374.828 3.190 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCOC4=O)c1)[C@@H](C2)C3=O 587445880 YRVXABUEAIORMF-HRAATJIYSA-N 365.385 3.315 0 1 FGAF COc1ccc(OC)c(-c2nc3ccc(Br)nc3[nH]2)c1OC 587791828 HFEBRMSPNXICRP-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF CC[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C 587831224 HKOKNKRZLHPJGI-RMAUIHLESA-N 356.235 3.289 0 1 FGAF COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1OC 587174344 ORJTVRHYJZSHJO-IBGZPJMESA-N 356.353 3.348 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O 587435182 DJPBUQFJXJPMKH-OYHNWAKOSA-N 372.380 3.011 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOC4=O)cc1)[C@@H](C2)C3=O 587445368 WBWDHJFRKJLCNZ-HRAATJIYSA-N 365.385 3.315 0 1 FGAF Nc1ccc(/C=C\c2nc3cc(I)cnc3[nH]2)cc1 587251905 QQNDUACZMVQZRL-UTCJRWHESA-N 362.174 3.315 0 1 FGAF Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(C(F)(F)F)c1 587095862 YCCWGOBZDRZXAF-UHFFFAOYSA-N 358.121 3.335 0 1 FGAF CNC[C@@]1(c2ccc(O)cc2)c2ccsc2CCN1Cc1cccnc1 962992527 GZNNWYBDRMEHCF-OAQYLSRUSA-N 365.502 3.370 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(Cl)cccc1N(C)C)NCC2 962925532 NQUOZYGRLJCAGP-LJQANCHMSA-N 357.885 3.343 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(N3CCCC3)s1)NCC2 962928506 RXIREFYWLVMBKT-LJQANCHMSA-N 355.507 3.285 0 1 FGAF CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1OCC 962902856 SYAHCRCQEBSSTF-MAUKXSAKSA-N 359.397 3.311 0 1 FGAF COc1c2occc2c(OC[C@H](O)C(C)(C)Cl)c2ccc(=O)oc12 14558113 FLTPZMNZFNPZAZ-NSHDSACASA-N 352.770 3.305 0 1 FGAF biogenic,in-vitro O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 15936006 WJLLJIFAOHZKRH-SFHVURJKSA-N 369.440 3.064 0 3 FGAF CCCCC/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)CCCC(=O)O 169622164 RIBVJRIPUIBKFY-VWDJQGTESA-N 352.471 3.251 0 1 FGAF O=C(NCc1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205227295 WJYQEMKGUJAKOY-BBRMVZONSA-N 373.815 3.424 0 3 FGAF CNC(=O)c1ccc(C)c(Nc2nncc3c2cnn3-c2ccccc2)c1 1857588652 KRAXKUOSAWLAQK-UHFFFAOYSA-N 358.405 3.227 0 1 FGAF CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C2CCOCC2)C1 1857646241 VEGQMQNNMPHWTC-UHFFFAOYSA-N 364.449 3.288 0 1 FGAF NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4cccnc4)c3n2)c1 1857752938 PDOMLHMPEVIZIK-UHFFFAOYSA-N 362.414 3.006 0 1 FGAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cccnc2Cl)C1 3277353 BEKLIDDQMCZTNU-SGTLLEGYSA-N 350.846 3.319 0 1 FGAF Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)[C@H](C)Oc3ccccc3)cc12 3911845 ZXWSBPXYCLRFMV-INIZCTEOSA-N 364.445 3.271 0 1 FGAF Cc1nnc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)s1 118888211 RLHJXYAKWPXEDM-LBPRGKRZSA-N 374.441 3.019 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@H]1O 2356515172 DEQPIGLSNWHDFR-FAJBIJEISA-N 358.475 3.011 0 1 FGAF Cc1oc(=O)c2c(c1C)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 2356600845 BWYKQVIOFJIPNL-FJGOKHBRSA-N 374.477 3.487 0 1 FGAF COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@@H](c1ccccc1)[C@@H](O)C2=O 14762736 UQWHUIAIZPLDDZ-OALUTQOASA-N 370.401 3.292 0 1 FGAF biogenic CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(S(N)(=O)=O)c2)C1 34282752 UNNPAFDYRLETBW-CQSZACIVSA-N 371.289 3.218 0 1 FGAF COc1ccc([C@H](CC(=O)c2ccccc2)NC(C)=O)c(OC)c1OC 72114903 DFTPOPZYKKPXPB-INIZCTEOSA-N 357.406 3.163 0 1 FGAF CC[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(OC)c1 73258836 AEBAOGKNMXXQLR-MRXNPFEDSA-N 369.446 3.441 0 1 FGAF CNC(=S)Nc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 40431195 HFEKBOWDZUJMEM-UHFFFAOYSA-N 371.491 3.051 0 1 FGAF CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1[C@H]1CCN(C2COC2)C1 146427337 GEXWJSDYWQNHLQ-ZDUSSCGKSA-N 369.444 3.335 0 1 FGAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F 95893818 XJUPBKIKSLNNQI-DYXWJJEUSA-N 372.415 3.050 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cnccn23)N1 587773051 HOBNJMDKMFKAFA-ABKXIKBNSA-N 361.218 3.255 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)o1 586932161 VDTRCFNCXPSGOG-UHFFFAOYSA-N 360.222 3.380 0 1 FGAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587383070 XCWMQZCFOUJWAD-FQEVSTJZSA-N 373.380 3.450 0 1 FGAF CCOC(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587021869 PZEBWFQWSYMZIF-UHFFFAOYSA-N 353.407 3.264 0 1 FGAF COc1ccc([C@H](O)[C@H](C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587938730 ZIOPGIZGNLKCOR-QPUJVOFHSA-N 352.316 3.169 0 1 FGAF CN(C)CCOc1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587052239 LMMBGRVKRUGIIM-OAHLLOKOSA-N 374.872 3.105 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587007141 MPVPLKKRFQOSGL-UHFFFAOYSA-N 372.182 3.050 0 1 FGAF COC(=O)c1cc2[nH]c(C[C@H](N)c3ccccc3Cl)nc2cc1OC 587057213 OJWCVMMRNLNHOH-ZDUSSCGKSA-N 359.813 3.254 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)c(Br)c1 587369025 ZWBUSFBFCBPRHX-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc[nH]c(=N)c1 587861793 CSQCRRNSCNKUAO-UHFFFAOYSA-N 362.311 3.074 0 1 FGAF Cc1csc([C@](O)(Cc2nc3ccc(C(=O)O)cc3[nH]2)C(F)(F)F)n1 587094131 KPAFIBDDGAFSDS-CQSZACIVSA-N 371.340 3.019 0 1 FGAF Cc1nn(CC(=O)O)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513549 CCYPQTPPSJDTKR-NRFANRHFSA-N 368.433 3.344 0 1 FGAF NCCCC(=O)Nc1ccccc1S[C@@H](CC(=O)O)c1cccnc1 13589274 SQUOMDLHEMSNQW-INIZCTEOSA-N 359.451 3.067 0 1 FGAF COc1ccc(/C=C/C[C@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1 15117481 NECYZFRKTWYGPO-OQBWYENPSA-N 358.434 3.458 0 1 FGAF Cc1ccccc1CN1[C@@H](CC2CCCCC2)COCCS1(=O)=O 15937244 FAJRUBBKNMTROP-IBGZPJMESA-N 351.512 3.496 0 3 FGAF O=C(CCc1cccnc1)NC1CCN(Cc2c[nH]c3ccccc23)CC1 1857758682 IUAFXPWTROHDAR-UHFFFAOYSA-N 362.477 3.276 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1ccccn1 6727689 HJWZGNYOFXWRSQ-GGNLRSJOSA-N 374.400 3.037 0 1 FGAF Cc1cccc(CNC[C@@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)n1 2356299923 QOCMHEDSAVAUIM-GOSISDBHSA-N 352.413 3.081 0 1 FGAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCN1C(=O)CSc2ncccc21 103670767 HRWMKASSJPDAMX-QLFBSQMISA-N 361.511 3.241 0 1 FGAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3c2C(=O)NC3)c1 117717197 AJASROCNLFYWOD-DLBZAZTESA-N 365.481 3.367 0 1 FGAF C[C@@H](Cn1cncn1)NC1CCN(c2cccc(-c3ccco3)c2)CC1 23367959 AOQVXUQMYWIXIU-INIZCTEOSA-N 351.454 3.185 0 1 FGAF CC(=O)NCn1cc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)c(=O)o1 28525514 QXGVGCSDBJVNOZ-UHFFFAOYSA-N 350.374 3.072 0 1 FGAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4ccccc4c3)[C@H](C)[C@H]12 26497290 SXQXSZYJPPWEPP-HOJOPBEUSA-N 369.442 3.086 0 1 FGAF N=C(N)c1ccc(Oc2cc(N)cc(Oc3ccc(C(=N)N)cc3)c2)cc1 114708157 BQECTQJDEWVZMP-UHFFFAOYSA-N 361.405 3.422 0 1 FGAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@@H]3COC(=O)O3)CC[C@@H]12 2356554930 BXFOOWNZKVTNCW-HJTSIMOOSA-N 364.482 3.434 0 1 FGAF O=C(c1ccc(F)cc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356695332 CNYNCZQGGCBNCH-MRXNPFEDSA-N 358.344 3.336 0 1 FGAF NC(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)cc1 61902796 JGEQZKNXCQLESN-MRXNPFEDSA-N 368.462 3.202 0 3 FGAF Cc1c(Cc2c(F)cccc2N2CCCC2)nc(N2CCCC2)[nH]c1=O 28866312 UKILQEWKQIANIM-UHFFFAOYSA-N 356.445 3.009 0 1 FGAF c1ccc2c(N3CCN(CCc4ccc5[nH]nnc5c4)CC3)cccc2c1 28370740 YQSXXLHEQOZMOT-UHFFFAOYSA-N 357.461 3.476 0 1 FGAF C[C@H]1Nc2ccccc2N1C[C@@H](CCc1ccccc1)OS(=O)(=O)O 26168303 QHCZWTCYMFZQKA-GOEBONIOSA-N 362.451 3.085 0 1 FGAF C[C@H]1/C=C\CC(=O)NCc2cccc(c2)CNC(=O)N[C@@H]1c1ccccc1 73105849 KSBGAXIOHACUNA-YSRYGZLRSA-N 363.461 3.439 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C 35792515 DWBSPRNBPGOZCH-DYZLRIPNSA-N 374.433 3.459 0 1 FGAF C[C@@H]1C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H]1O2 83923602 PQDLJCPCZJBEBP-VTGMPIQNSA-N 368.470 3.011 0 1 FGAF in-vitro Nc1nccc(-c2ccc3nc([C@H]4COc5c(F)cccc5C4)[nH]c3c2)n1 49000021 GHOKMOHPCIOZFV-CYBMUJFWSA-N 361.380 3.460 0 1 FGAF CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(Cl)ccc21 40764025 ZIFDGGPXNUPCBC-INIZCTEOSA-N 353.809 3.139 0 1 FGAF C[C@@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1ccccc1F 226027234 QRFGGWOXWYEDLM-GFCCVEGCSA-N 354.360 3.305 0 1 FGAF COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@@H]1O 95099615 ZVEDKPGZOXEGTK-QYZOEREBSA-N 354.358 3.421 0 1 FGAF biogenic,in-vitro Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 253683387 NDWXGJDJKXDMOV-HDICACEKSA-N 367.497 3.313 0 1 FGAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441226 JLALIRDUHGRRHR-JLHGSKIFSA-N 364.397 3.074 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587231512 PBKNSYIAZQOXPS-NXEZZACHSA-N 355.360 3.017 0 1 FGAF NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614799 UNMBALCAZUPYPL-YJBOKZPZSA-N 367.382 3.256 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587249934 SZXCBOVLRALUFG-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CC(C)[C@](C)(O)c1nc2c(Br)cnc(Br)c2[nH]1 586893486 ZKDTXXZKFLJHIG-NSHDSACASA-N 363.053 3.346 0 1 FGAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cncnc3[nH]2)cs1 587019490 PGQZQAOLAINVKC-UHFFFAOYSA-N 351.395 3.044 0 1 FGAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587418759 ASBABJPXKVEQML-WTDUGLMZSA-N 362.397 3.273 0 1 FGAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cn1 587639104 VTUFMALNYQVNHM-UHFFFAOYSA-N 351.284 3.332 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cnc4c1OCCO4)[C@@H](C2)C3=O 587424417 ZGHKGXZPSGTMHD-QFYYESIMSA-N 359.765 3.004 0 1 FGAF COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1C 586926406 PIGJHOPWWFQNPI-UHFFFAOYSA-N 372.446 3.099 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Oc1ccccc12 587606492 DHFUDXMIQYMPKW-UTKZUKDTSA-N 360.321 3.168 0 1 FGAF CCCn1c(=O)c2[nH]c([C@@H](C)Cc3ccccc3)nc2n(CCC)c1=O 12405511 MFDOIDPESZOBLK-AWEZNQCLSA-N 354.454 3.053 0 1 FGAF CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc(Cl)cc1 13816994 WCIZTAPNFDOVCM-KRWDZBQOSA-N 352.931 3.334 0 1 FGAF CCN1C(NCc2ccccc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 15937398 NRBDUROVHLTIAX-AHRSYUTCSA-N 365.477 3.387 0 3 FGAF CC[C@@H]1CC[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729842 INNHEOWFFKWYPN-CJNGLKHVSA-N 362.857 3.363 0 1 FGAF O=C1N=C(N2CCN(c3ccccc3)CC2)S[C@H]1Cc1ccccc1 4063822 XWZXMPMVMOCEPX-SFHVURJKSA-N 351.475 3.049 0 3 FGAF CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1OC(=O)OCC 7992517 NPGAEJRNYJYPMA-OAGGEKHMSA-N 350.367 3.398 0 1 FGAF CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 101452496 YXJVHGRECXOLSW-KDURUIRLSA-N 357.498 3.365 0 1 FGAF N=C(N)c1ccc(OCc2ccccc2COc2ccc(C(=N)N)cc2)cc1 28361518 DBQNFQRZGKINAU-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF COc1ccc(NC(=O)NC[C@@H]2COCc3nc4c(C)cccc4n32)cc1 2356300371 URNWUIVNBSWPSM-OAHLLOKOSA-N 366.421 3.246 0 1 FGAF CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CCC3CC3)c2n1 117699753 JVZXYEXXWRTVHZ-UHFFFAOYSA-N 365.437 3.012 0 1 FGAF Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCN(CCO)CC2)sn1 28250954 UHVRTEUPZOLQRU-FQEVSTJZSA-N 359.539 3.274 0 1 FGAF CC[C@@H]1CN2CC[C@]3(CNc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356661015 PZTSJGMDSOZBEK-QLQCFAGPSA-N 370.493 3.174 0 1 FGAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1 117716581 QJPOOLLLHUDQHY-ZDUSSCGKSA-N 365.355 3.352 0 1 FGAF O=C(N[C@H]1CCCOC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12 1911571272 CUFBKSWMOJCBKS-LBPRGKRZSA-N 357.360 3.417 0 1 FGAF O=C(NCCOc1nc(N2CCCC2)nc2ccccc12)c1ccccc1 1911573371 VBJMEHCESPGIOY-UHFFFAOYSA-N 362.433 3.039 0 1 FGAF C/C=C/C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 218986730 FNUWVXYJGBXLCT-ZZXKWVIFSA-N 350.378 3.316 0 1 FGAF CCc1cc(S(=O)(=O)NCCCCO)ccc1-c1ccc(F)cc1F 40575576 CTUVUUUJEYUFPN-UHFFFAOYSA-N 369.433 3.245 0 1 FGAF NC(=O)Nc1sc(-c2ccc(CNC3CCCC3)cc2)cc1C(N)=O 40836069 XGEGUPDDIPKVKO-UHFFFAOYSA-N 358.467 3.037 0 1 FGAF CCCc1cnc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)nc1 149632770 DGCHXKKTGPFKCS-HNNXBMFYSA-N 352.482 3.100 0 1 FGAF CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](C2CC2)[C@H]1CCCO 95798331 JYEHPYADUQQBKE-DBXWQHBBSA-N 365.514 3.471 0 1 FGAF CC(C)[C@@H](c1nc2cc[nH]c(=N)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198931 RBPYNOZCEHXPMY-INIZCTEOSA-N 353.426 3.336 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Oc1ccccc12 587840751 JNVMQRYLQSSSHD-VVVCHXIZSA-N 362.198 3.285 0 1 FGAF N=c1[nH]ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587018382 XQHQGRKUABZPSJ-UHFFFAOYSA-N 359.418 3.208 0 1 FGAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587960728 APHGHYUUIOIQIJ-JGVFFNPUSA-N 351.200 3.181 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)(C2CC2)N1 587836149 ZCYVDFAIEXXNIQ-DYZYQPBXSA-N 370.262 3.491 0 1 FGAF Oc1nc(O)c2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150505 SFPKSGLEMFDLAJ-CYBMUJFWSA-N 351.341 3.105 0 1 FGAF Cc1nn(C)c(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587738460 OMQSKUDFDDWGMW-WJWGPLDTSA-N 356.214 3.393 0 1 FGAF CN1CCN(c2ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc3c2)CC1 587130564 VRAZYIVZDGZJBT-UHFFFAOYSA-N 373.407 3.021 0 1 FGAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587961741 WJJSKVLIMIGWTH-SSDOTTSWSA-N 355.188 3.067 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)nc(OC)c1OC)CC2=O 587487817 OFTAOASQMMUJHH-MRXNPFEDSA-N 373.405 3.472 0 1 FGAF CC1=C[C@]2(NCC(C)(C)c3cc4c(cc32)OCO4)c2cc(N)ccc2N1C 963390875 NYPBLQJISPOBNL-JOCHJYFZSA-N 363.461 3.476 0 1 FGAF Ic1ccc(N[C@@H]2OCCc3ccccc32)nc1 1857647686 YFDGBXIMWTUGQY-CQSZACIVSA-N 352.175 3.370 0 1 FGAF COc1cccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1 14958408 RPOVUZUSJOJMKK-UHFFFAOYSA-N 373.796 3.080 0 1 FGAF CS(=O)(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709704 OGZWZWDVHZEFCZ-HNNXBMFYSA-N 356.369 3.304 0 1 FGAF CCCCCn1nnnc1[C@@](C)(CCCCC(=O)O)NCc1ccco1 205857998 IDDIYHBWBBFCHZ-GOSISDBHSA-N 363.462 3.106 0 3 FGAF CCC(=O)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1 1857552514 GRORIHIUKBVNJW-UHFFFAOYSA-N 368.481 3.051 0 1 FGAF CNCCC[C@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1857594624 BOYOHDGENQWENH-QFIPXVFZSA-N 367.537 3.064 0 1 FGAF COc1cccnc1C1CCN([C@H]2CCCN(c3cncnc3)CC2)CC1 1857594890 CNVXBLDKLOAUOE-SFHVURJKSA-N 367.497 3.119 0 1 FGAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 40379539 WEEWAVMLLVLCNC-CQSZACIVSA-N 373.416 3.329 0 1 FGAF COc1ccccc1CNC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 772714 NAIRIWZEAOWACQ-LJQANCHMSA-N 358.825 3.406 0 1 FGAF Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CC2)CC1 4436724 RIFPLXGMQVIRJW-UHFFFAOYSA-N 357.429 3.280 0 3 FGAF c1cc2c(cc1CN1CCC[C@H](Nc3ccc4[nH]ncc4c3)C1)OCCO2 114338670 SFATVUFGJJLYSY-SFHVURJKSA-N 364.449 3.411 0 1 FGAF CC(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29552301 YSYOEUDGXQOEFD-INIZCTEOSA-N 353.418 3.198 0 1 FGAF CCCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F 28638049 IYINKXVOQWEBKY-OAHLLOKOSA-N 359.394 3.139 0 1 FGAF CCN1CCN([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 20108532 XLWSHEQFCZUEET-IBGZPJMESA-N 363.933 3.468 0 3 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccccc1Cl)C2 219337431 RWMUCVBGJKDWBD-NSHDSACASA-N 367.840 3.416 0 1 FGAF CN1C(=O)N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223911 AHMWYDXFMUSDLV-KSFYIVLOSA-N 373.412 3.222 0 1 FGAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4)cc3C2=O)C(OC)=C[C@H]1O 73164810 UIKNUDQQFMPSEC-IIBYNOLFSA-N 350.370 3.103 0 1 FGAF COc1cc(Nc2nccc(Nc3ccccn3)n2)cc(OC)c1OC 71329174 VBXMNDHXPKBZOQ-UHFFFAOYSA-N 353.382 3.385 0 1 FGAF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2C(C(C)=O)=COC[C@@H]2[C@@H](C3)N1C 14417372 CQQPGDXOORCKLX-GIPAHHNCSA-N 352.434 3.213 0 1 FGAF biogenic CC(=O)O[C@@H]1c2ccccc2-c2c3c(cc4c2[C@H]1N(C(C)=O)CC4)OCO3 14618051 RECDUZGPRIBATN-WOJBJXKFSA-N 365.385 3.146 0 1 FGAF biogenic COC(OC)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 40861537 APHZFPITYCSKIN-UJMXGEILSA-N 372.417 3.202 0 1 FGAF COc1cc([C@@H](O)[C@H](C)O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 238742545 CVEOWEBXSNOTHI-GTXVLXIYSA-N 358.390 3.075 0 1 FGAF Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1 253930756 YNEJNUAUXPCFAS-SHTZXODSSA-N 353.401 3.204 0 1 FGAF CC[C@]1([C@@H](F)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723259 WGIQAGONHWIFTI-IIRLODAESA-N 362.214 3.239 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nc2)N1 587773699 RHOCWRFDDZVCJN-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CN(C)CCOc1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167520 TWIYENYZUSHEIX-KTKRTIGZSA-N 368.412 3.294 0 1 FGAF C[C@H]1CCO[C@H]1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661285 WGFQFNNACDUHPT-KPZWWZAWSA-N 352.365 3.268 0 1 FGAF Nc1c(-c2nc3nc(Br)c[nH]c-3n2)cnc2c(F)cccc12 587176447 KLUIQGKGZGPBLZ-UHFFFAOYSA-N 359.162 3.004 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O 587422565 QQKDDLRYTXITLR-ORAYPTAESA-N 355.777 3.252 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)nn1 587868011 HLJNYSJFFDFDRX-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccn(CC)n1)CC2=O 587475299 LVBOFDLTVWPGSO-JNSUZQQQSA-N 369.465 3.497 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cc(C)cc(C)c4)n1)[C@@H](C2)C3=O 587432117 NHLMREJNHPFNBH-HRAATJIYSA-N 361.401 3.381 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035354 PHRBGBYOITYVHL-OAHLLOKOSA-N 362.476 3.275 0 1 FGAF Cc1cc2c(cc1O)[C@](Cc1ccccc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963510443 QNTWFQPFLZKYBL-MAUKXSAKSA-N 365.351 3.300 0 1 FGAF COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)cc1 4238631 BNZILDOXIUFJHX-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF FC(F)(F)Oc1ccc(CN2CCOC[C@@H](Oc3cccnc3)C2)cc1 2356315855 NXXGWCWQOVYWOQ-KRWDZBQOSA-N 368.355 3.260 0 1 FGAF Cc1nc(C(F)(F)F)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246975 LSQBAUUNIXTLLU-XCUIQAHFSA-N 360.401 3.140 0 1 FGAF N#C[C@H](c1ccnc(N[C@@H]2Cc3c[nH]c2n3)n1)c1nc2ccccc2s1 116418661 KORISVSXBGATCA-BXUZGUMPSA-N 359.418 3.174 0 1 FGAF O[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2cc3ccccc3o2)C1 2356842522 MVHJGJWVUKWXHW-RDJZCZTQSA-N 362.389 3.186 0 1 FGAF O=c1c(-c2ccccc2)cccn1[C@H](CN1CC[C@H](O)C1)c1ccccc1 36190491 NZNYFHPTQFALGO-RBBKRZOGSA-N 360.457 3.171 0 1 FGAF O=C1CCN(Cc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc21 36383034 ONKLSAJWEIBZRC-UHFFFAOYSA-N 369.364 3.483 0 3 FGAF N[C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(F)cc1 49034262 DXIAHMIZSNQSST-HNNXBMFYSA-N 368.441 3.202 0 1 FGAF OC[C@@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 84603910 FSVJCNOLLRABCZ-GUSKJMBLSA-N 365.558 3.207 0 1 FGAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccc(C(N)=O)cn4)c3c2)o1 221747191 HIGIFBUHXIIFCP-UHFFFAOYSA-N 362.393 3.199 0 1 FGAF COc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1 49088426 GSXBEHIPXIEOFU-UHFFFAOYSA-N 350.346 3.261 0 1 FGAF COc1ccc([C@H](C(=O)Nc2c(C)cccc2C)N2CCN(C)CC2)cc1 199245390 QLKMWOHLJJRLRD-OAQYLSRUSA-N 367.493 3.239 0 3 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)N[C@H](CO)CC(C)C)[C@@H](CC)C1 25427643 GMLSNKCWIYMGPT-OTWHNJEPSA-N 368.562 3.355 0 1 FGAF biogenic COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc3ccccc23)cc1 473151258 ORHZBXHUAQMKBW-UHFFFAOYSA-N 371.414 3.128 0 1 FGAF Cc1cc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c(C)n1 587237030 LFFQEJUAHDRIGO-UHFFFAOYSA-N 360.458 3.230 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587249044 GBDWPMUQOBADRK-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF COCCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753527 JLCWQEDUQJGXQR-BMIGLBTASA-N 368.250 3.055 0 1 FGAF COc1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652487 SLABFCCTCAQDJQ-NSHDSACASA-N 358.781 3.166 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(F)cc(F)c21 587472802 VGWYTXFCPLJODA-LJQANCHMSA-N 359.328 3.436 0 1 FGAF O=S(=O)(Cc1nc2ccccc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951500 WXOUZVHDUQUYEQ-UHFFFAOYSA-N 370.478 3.495 0 1 FGAF Cc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775692 UBYCLEIZLRJIGW-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF Nc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1N 586914469 PGHMEHIYDSGLMQ-UHFFFAOYSA-N 360.373 3.496 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cc(Cl)ccc1O 587649257 OEINWFXPGSGXKM-UHFFFAOYSA-N 363.822 3.470 0 1 FGAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587236118 SMADOENQIKSNNT-NKWVEPMBSA-N 362.149 3.194 0 1 FGAF CC(C)Cn1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962960463 GMLCQYCTNNYNLN-CZUORRHYSA-N 369.799 3.159 0 1 FGAF Cc1cc2c(cc1F)[C@@](C[C@H](C)C(=O)O)(c1cccc(CO)c1)NCC2 962294326 BXQLHVRPTWSTAL-LHSJRXKWSA-N 357.425 3.127 0 1 FGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc3cccnc3c2)N1 963228712 IHSHTBBRHZIIQL-RTWAWAEBSA-N 355.397 3.471 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2O[C@@H](CCCCC(=O)O)C[C@@H]21 5820776 RJADQDXZYFCVHV-DHYPZIFBSA-N 354.487 3.283 0 1 FGAF CCCC[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759698 DSCXDSWHYDECST-CYBMUJFWSA-N 373.507 3.240 0 1 FGAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1C(=O)O[C@@H](c2ccccc2)C1=O 169727246 DMUUIFGKJLDOPP-ZFWWWQNUSA-N 364.184 3.415 0 1 FGAF CCc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 167075246 PKAUPUKGIWRPBZ-HDICACEKSA-N 372.472 3.401 0 1 FGAF COc1cccc(-n2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cn2)c1 1857755839 OYJJEUXAKSZZFD-UHFFFAOYSA-N 367.405 3.079 0 1 FGAF CCN(CC)C(=O)c1cnc(SC)nc1-c1ccc(OC)c(OC)c1 1857773168 CDHQZRAEYUQWEP-UHFFFAOYSA-N 361.467 3.365 0 1 FGAF COc1cccc2c1c(O)c(C(=O)N(C)c1cccc(Cl)c1)c(=O)n2C 100815928 MGNXGJPTWWWXTK-UHFFFAOYSA-N 372.808 3.183 0 1 FGAF CCCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O 103294874 PERIGIVRTQYQLH-UHFFFAOYSA-N 370.409 3.105 0 1 FGAF COc1cc(Br)cc(-c2noc([C@H]3CCCN3C)n2)c1OC 103285086 WMISFAGLPAZMPW-LLVKDONJSA-N 368.231 3.283 0 1 FGAF COc1ccc([C@H]2CCN(c3nncc(-c4ccc(C)o4)n3)C2)cc1O 103227048 NSTDQODDOHVJED-AWEZNQCLSA-N 352.394 3.148 0 1 FGAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3C[C@@H](C)N[C@H](C)C3)[C@@H]12 28006864 YNLMVLOZEASXEZ-DYJFIGRHSA-N 362.558 3.453 0 1 FGAF COc1cc(C=CC(=O)O[C@@H]2C[C@@H]3[C@H](C)CN(C)C[C@H]3[C@H]2C)ccc1O 2356501113 OFDLBJAQGFWTKC-PGYIJGINSA-N 359.466 3.180 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC(CO)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356784818 QGIFBSJPTOTBPS-XWJBARJFSA-N 350.455 3.171 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356874401 YVTRTWJBTSGZJW-AGURSJMDSA-N 357.498 3.224 0 1 FGAF NC(=O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518388 VSMMILQOOIJQNX-UHFFFAOYSA-N 357.793 3.443 0 1 FGAF CC[C@@H](C)CNC(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 39301058 BJZNGUGTDBKEGC-WBVHZDCISA-N 353.470 3.351 0 1 FGAF CN1CCN(C(=O)c2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1 40763161 XOQLPCMMWXCDHX-UHFFFAOYSA-N 364.474 3.097 0 1 FGAF COc1cccc(Nc2nnc([C@@H](O)c3cccc(N(C)C)c3)s2)c1 82078444 MYLYXANYDBLFAT-INIZCTEOSA-N 356.451 3.438 0 1 FGAF Cc1cccc(CN2CCN(c3nc4ncccc4nc3NC3CC3)CC2)c1 144574005 ZZSGIYIJAYNSHM-UHFFFAOYSA-N 374.492 3.230 0 1 FGAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587585192 BOSCWMXVDUQWIS-AVRDEDQJSA-N 373.364 3.226 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1nccn1C)[C@@H](C2)C3=O 587426199 AIPBDEMQLQTOCS-HRAATJIYSA-N 364.376 3.259 0 1 FGAF O=C(CCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587953783 UFPQDVLNIOGJDB-UHFFFAOYSA-N 373.416 3.438 0 1 FGAF CC(C)(C)[C@@]1(CS(C)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587529925 CPYZGRWUWRSHFE-IBGZPJMESA-N 350.480 3.360 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1ccncn1)(c1ccccc1)[C@@H](C2)C3=O 587437110 WXTHLTUETPZDIZ-PGRDOPGGSA-N 358.397 3.371 0 1 FGAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(OC(C)C)cc3[nH]2)CC1 586953681 XOIJQPSCFRVHHI-UHFFFAOYSA-N 365.499 3.348 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(COc3ccc(F)cc3)nc-2[nH]1 587167867 AGSKUXVXJMZOOK-UHFFFAOYSA-N 365.368 3.340 0 1 FGAF O=C1CSc2ccc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 587042711 DTFXENPBQJVKSC-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF COc1ccc(NS(=O)(=O)c2ccc3nc(C4=COCC4)[nH]c3c2)cc1 586912055 CGJJTMYXXSMOOS-UHFFFAOYSA-N 371.418 3.134 0 1 FGAF COc1cc2c3c(c1)OC1([C@H]4CC5C[C@H]1CC(OC(C)=O)(C5)C4)[C@@H](C2)C3=O 587444976 YBKMRZCHHJKANR-IFDMDIEPSA-N 368.429 3.323 0 1 FGAF Fc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1-n1cccn1 587118355 LYDWCUCYNNAWFX-UHFFFAOYSA-N 364.306 3.346 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O 587421469 MMSYXXJIVLVSTE-FVMDXXJSSA-N 351.189 3.455 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)O 587400377 NGFGBMRIGWNAQI-GTNSWQLSSA-N 371.389 3.144 0 1 FGAF Cc1cc2c(cc1O)[C@]1(C[C@H](C)Sc3sccc31)N[C@H](C(=O)O)C2 963465302 BKAVTZSOUCLMFE-MWJQBAMBSA-N 361.488 3.489 0 1 FGAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@]42CN3CC[C@H]2C3)cc1 963817204 LRCPMALOKZOGQO-SBUREZEXSA-N 359.473 3.423 0 1 FGAF NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@@H]3CCCNC3)c2n1 1772578169 DAGZBPRGFBEYDJ-SECBINFHSA-N 353.253 3.244 0 1 FGAF CC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)oc2ccccc2c1=O 5601973 UIZOBOVKLPYIEE-CQSZACIVSA-N 352.342 3.338 0 1 FGAF COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 13141841 RPFNGQGITRIHDR-XUJVJEKNSA-N 353.846 3.446 0 1 FGAF COc1ccc2c(c1)c(CC(N)=O)c(Br)n2Cc1ccccc1 13446046 LOALWRKDHWJUPZ-UHFFFAOYSA-N 373.250 3.489 0 1 FGAF CCN1CC[C@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)C1 16957790 KMCQMCWQIHWGTK-IRLDBZIGSA-N 369.461 3.116 0 1 FGAF CC[C@H](C)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1 6652347 RMYIMIVGHPXMDH-AWEZNQCLSA-N 351.410 3.193 0 3 FGAF COc1cc(-c2cnc3c(N4CCO[C@@H](C)C4)snc3c2)ccc1N 1857630517 PVQOUORBZGWMAM-NSHDSACASA-N 356.451 3.174 0 1 FGAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCO 4212792 MFLZKAQZBGEHEE-OALUTQOASA-N 362.470 3.208 0 1 FGAF Cc1cccnc1NC(=O)CNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 101470336 BGDKJFKOZGADCR-IHWOHKJGSA-N 361.873 3.023 0 1 FGAF CC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1CCC(=O)O 58569298 DPEBDBCXOSMPLP-ZSOIEALJSA-N 356.353 3.175 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(OC)c2)cc1 100107257 WCNPNVDSCILEEP-WKCHPHFGSA-N 365.477 3.221 0 1 FGAF O=C1OCC(=C/c2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2 100077408 YBTVCUSZMGXJNW-YOENDLTHSA-N 350.326 3.168 0 1 FGAF biogenic,in-vitro CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C4CC4)c3)nc2)C1=O 117694422 IFVGENLCCIDWSC-QGZVFWFLSA-N 362.389 3.458 0 1 FGAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccc(C=O)cc3)oc(=O)c12 27518377 SKAVJECRXZJIAF-GUOLPTJISA-N 368.414 3.261 0 1 FGAF CCCC[C@@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27712051 IJNLAPNMNMHBJS-NOEHVLKNSA-N 369.505 3.452 0 1 FGAF CC(=CCc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O)CO 2356680753 STGFGEJCRVJFFB-UHFFFAOYSA-N 354.358 3.058 0 1 FGAF CSc1cc(Nc2ccc(C)c(I)c2)nc(N)n1 26278122 AWURMJYUFJRSEJ-UHFFFAOYSA-N 372.235 3.437 0 1 FGAF CN1CCCC[C@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71329058 QQXYLDQBGTVJBJ-FCIYXJNOSA-N 356.510 3.150 0 1 FGAF CC[C@@H](C)N1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 215283265 CPPQQBDODKHBIF-VIIAAUOXSA-N 351.288 3.405 0 1 FGAF CCC(=O)N1[C@@H](c2cccc(O)c2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 49803917 LOLFKKQHIFLOFL-XLIONFOSSA-N 364.401 3.211 0 1 FGAF CC/N=c1\c(NS(=O)(=O)c2ccc(C)c(C)c2)c(O)oc2ccccc12 617997510 VWBLEYWUMJEESG-JZJYNLBNSA-N 372.446 3.477 0 1 FGAF COC1(OC)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=CC2=O 85558137 FBIXXXXACRPEFX-WIYYLYMNSA-N 374.477 3.422 0 1 FGAF biogenic Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)NC5CC5)cc34)cc2)cn1 653737509 QOHBWKYBTSWNGX-UHFFFAOYSA-N 371.444 3.446 0 1 FGAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1 653702427 NOACBRAIEONKTR-UHFFFAOYSA-N 370.459 3.140 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccn3n2)N1 587794526 MYTQWRHRUUMAFK-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF CCO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391555 VENMMLGOXLRWSS-QKKBWIMNSA-N 354.450 3.494 0 1 FGAF C[C@]1(CCn2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343218 SCZXFYWCSCBMRZ-UYAOXDASSA-N 367.380 3.331 0 1 FGAF CCc1cc(O)nc(SCc2nc3ccc(Br)nc3[nH]2)n1 586966603 LCFBCNHLFDRIQK-UHFFFAOYSA-N 366.244 3.071 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCOCC2)N1 587766890 OTTKZKHBPSIJNH-ZBEGNZNMSA-N 371.294 3.274 0 1 FGAF COC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833810 ICNACCSNUNZWDX-ZUZCIYMTSA-N 358.251 3.359 0 1 FGAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588155 JRNLJZBHHNTRNR-VQIMIIECSA-N 365.341 3.210 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccccc1)CC2=O 587484816 HOVMMYMJGBOKBR-HXUWFJFHSA-N 374.458 3.250 0 1 FGAF Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587587061 FIXXFLMOZNDRHF-APWZRJJASA-N 365.341 3.430 0 1 FGAF O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)c1coc2ccccc12 587280898 HJAUFAJHSXUNKP-UHFFFAOYSA-N 355.415 3.448 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 586903721 LVGOHVQAUCEINA-UHFFFAOYSA-N 358.419 3.444 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)cnc2[nH]1 586983646 ABNXOKDEDCROMJ-HNNXBMFYSA-N 373.254 3.449 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]nc3-c3cccs3)c3cccc1c32 963032912 VRNMJBKZSSNJHI-BBATYDOGSA-N 350.447 3.281 0 1 FGAF O=C(/C=C/c1ccccc1Br)Nc1ccc(C2=NCCN2)cc1 1772586329 REIPNLKUBDSMGP-JXMROGBWSA-N 370.250 3.451 0 1 FGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C)n3)C2)cc1 1772574271 XQUZZXMRYXXGSM-QFBILLFUSA-N 353.466 3.287 0 1 FGAF CCn1nc(C)cc1C(=O)NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1 11840505 DWFTYDAFJCJVNX-KRWDZBQOSA-N 362.433 3.007 0 1 FGAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1ccccc1 13972558 WMEUGWYECRHASZ-RBUKOAKNSA-N 361.482 3.396 0 1 FGAF O=C(Cc1ccc(C2CC2)nc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857647500 UZGLRIDSOPLPQJ-UHFFFAOYSA-N 368.387 3.085 0 1 FGAF Clc1ccc2[nH]c(=NC3CCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857748350 ZHAXOKQWUHFBHX-UHFFFAOYSA-N 354.845 3.436 0 1 FGAF C[C@H]1C[C@H](C)[C@H](O)[C@@H]([C@@H]2C[C@@H](CC(=O)NCc3ccccc3)CC(=O)O2)C1 27624436 IVTAHNQJAAUGMY-YFMOCGGKSA-N 373.493 3.058 0 1 FGAF O=c1cnn(-c2ccc(Sc3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1 28762975 SFMBDJWAIJEPCZ-UHFFFAOYSA-N 366.229 3.379 0 1 FGAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100106526 MEUJYFJALRYJNZ-OSGGFPMRSA-N 362.429 3.028 0 1 FGAF N[C@H](Cc1cc(F)ccc1F)C1CCN([C@H]2CCC[C@@H](C(=O)O)C2)CC1 66075820 OUYYJIKUXWSIGZ-DKSSEZFCSA-N 366.452 3.190 0 1 FGAF Cc1ccc(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 61945304 ZZDMLSDPEFJYDE-HNNXBMFYSA-N 351.324 3.440 0 3 FGAF CCc1ccc(CCC(=O)c2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 29486491 FUNMWBQIOZTCKY-SFHVURJKSA-N 368.458 3.354 0 1 FGAF C[C@H]1C[C@@H](OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22926539 SFIMEMADLNGLGG-ILWGZMRPSA-N 374.569 3.397 0 1 FGAF NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCCC3)n2)cc1 1911573130 XZDDYBCTOCDBDK-UHFFFAOYSA-N 365.359 3.328 0 1 FGAF O=C(c1cccc(F)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 74378412 HZUHGERMGNYSMC-IUODEOHRSA-N 362.763 3.493 0 3 FGAF C[C@@H]1C[C@@H](O)CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 43021089 OCPFYXZMGXRXHZ-MNOVXSKESA-N 370.829 3.123 0 1 FGAF O=C(c1cncs1)c1nc(NCc2cccnc2)nc2ccsc12 49018622 NTEJRTACMPAJDX-UHFFFAOYSA-N 353.432 3.386 0 1 FGAF c1ccc(-c2cn(-c3ccc4nc(N5CCOCC5)sc4c3)nn2)cc1 84689707 AQLOQSLNWCBJRI-UHFFFAOYSA-N 363.446 3.381 0 1 FGAF O=C(c1cc(OC(F)(F)F)ccc1O)N1CCN(c2ccccc2)CC1 45190523 FGZWSQQDBDJLTB-UHFFFAOYSA-N 366.339 3.253 0 1 FGAF CCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069489 GXVPUAQWLGOJFX-INIZCTEOSA-N 369.465 3.419 0 1 FGAF COc1nc(-c2ccc(SC)cc2)[nH]c(=NCCc2ccc(F)cc2)n1 473162739 KCAQAHXWFFFDRB-UHFFFAOYSA-N 370.453 3.485 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(OC)cc4c1=O)[C@@H](C2)C3=O 587450759 GEUFBFFSSCYGDQ-QKKBWIMNSA-N 364.353 3.299 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(NC(=O)OCc3ccccc3)C1)O2 587391538 VAKUITACHHFGCO-UHFFFAOYSA-N 366.417 3.370 0 1 FGAF c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1CN1CCOCC1 587032624 ZFGQUGBIMRCKCH-UHFFFAOYSA-N 355.463 3.196 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587782930 ASJCCSROWLEOGO-UHFFFAOYSA-N 358.781 3.385 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(F)cc2[nH]1)C(C)C 586932168 BURWTNQBBCINJO-HNNXBMFYSA-N 357.451 3.127 0 1 FGAF COc1ccc(CCCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 587926313 WWQSXCNLTVDYAA-UHFFFAOYSA-N 367.449 3.457 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn3cccnc23)N1 587794437 MQPYLZKFDAOBBA-PSLIRLAXSA-N 361.218 3.255 0 1 FGAF Oc1nc(O)c2ccc(-c3c(-c4ccccc4)nn4ccccc34)nc2n1 587555463 OILAPDCADYUTPJ-UHFFFAOYSA-N 355.357 3.418 0 1 FGAF COC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157554 OHHUJGFTPGIQDO-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1F)[C@@H](C2)C3=O 587425919 HZPADVYYAUNWCC-MGPLVRAMSA-N 364.170 3.481 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888524 KMYWOBQELUHWGN-JXFKEZNVSA-N 367.474 3.185 0 1 FGAF CN1CCc2cn(C)nc2[C@H]1[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 963954181 HHLWJZILPQYINS-VPWXQRGCSA-N 362.518 3.423 0 1 FGAF Cc1cc2c(cc1F)[C@@H](c1ccc(OC(=O)c3ccnn3C)cc1)NCC2 962088341 FKOPFCYDRFFAMT-HXUWFJFHSA-N 365.408 3.322 0 1 FGAF CCCCC[C@@H](O)[C@@H](O)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 12496426 YCFPVUKKIWMCJK-BUWRLEMKSA-N 354.487 3.353 0 1 FGAF endogenous,in-man C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O 13520558 QZIGLSSUDXBTLJ-UYTYNIKBSA-N 352.452 3.085 0 1 FGAF endogenous,world OC[C@H]1O[C@H](/C=C\c2ccccc2)C=C[C@@H]1Oc1ccc2c(c1)OCO2 13783161 XABUZAPEWOEFMZ-UFYVJBOISA-N 352.386 3.192 0 1 FGAF CCOc1ccc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)cc1 767461 ZUJAWRIGDPAYIB-OAQYLSRUSA-N 352.434 3.185 0 1 FGAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O 2356333796 WLBDPBPKMGZHHX-DNVJHFABSA-N 366.505 3.322 0 1 FGAF Cc1cccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)n1 4925303 PAXGXRURQYRYOX-UHFFFAOYSA-N 351.406 3.040 0 1 FGAF CN1[C@H]2CC[C@@H](OC(=O)[C@@](O)(c3ccccc3)c3cccs3)[C@H]1CC2 101106744 XGVQNYKSWMAKQT-WOCWXWTJSA-N 357.475 3.152 0 1 FGAF Cc1ccc(N2CCN(CC[C@@H](O)COc3ccc(F)cc3)CC2)cc1 29484907 YLKZRBJJSDIAQM-HXUWFJFHSA-N 358.457 3.086 0 1 FGAF COc1ccc(-c2ncn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1N 29415859 GHSWWQSJHMWVIK-UHFFFAOYSA-N 369.421 3.371 0 1 FGAF COc1ccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)cc1 73141502 UVQUCKPSHMCVRM-UHFFFAOYSA-N 367.357 3.190 0 1 FGAF Cc1[nH]c(-c2nccc3[nH]c(N)nc23)c(Br)c1Br 45291577 NVWSGXONYMUGNM-UHFFFAOYSA-N 371.036 3.369 0 1 FGAF CC(C)=CCN1C(=O)N(Cc2cccc(F)c2)S(=O)(=O)n2cccc21 473084949 UXVLFMOQMSWXNG-UHFFFAOYSA-N 363.414 3.129 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4cnc(Cl)[nH]c-4n3)n2C)cc1 586965587 SKRZOBVVVOOUMV-UHFFFAOYSA-N 371.857 3.354 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CCCC2)N1 587754873 LLXLLYWIONPMBQ-HZMBPMFUSA-N 369.278 3.470 0 1 FGAF COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426489 CGGFPLMAYHAAPC-OXJNMPFZSA-N 356.349 3.040 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426226 BEMILUBISFLRTN-IERDGZPVSA-N 370.376 3.430 0 1 FGAF O=S(=O)(O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079059 FZWYYWBVXABUCT-UHFFFAOYSA-N 361.810 3.466 0 1 FGAF Clc1ccc(-c2nnc(CCc3nc4c(Cl)ncnc4[nH]3)o2)cc1 587077226 SAVDJOJYOUWCCN-UHFFFAOYSA-N 361.192 3.495 0 1 FGAF COc1cc2c3c(c1)O[C@@H](CCc1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587449498 BSADLTFSXJCTHS-CVEARBPZSA-N 352.386 3.215 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CN3CCC2CC3)[C@H]1c1ccc(F)cc1 587343369 BDDNEVIURXGBAZ-PZJWPPBQSA-N 353.393 3.355 0 1 FGAF COc1nccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587144875 QJKNOAQMELQYIK-NSHDSACASA-N 365.206 3.111 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc(C)cnc2[nH]1)c1ccc(Br)cc1 586984806 JAGGJQPFSRZQQR-CQSZACIVSA-N 373.254 3.449 0 1 FGAF C=CN1CC[C@H]([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587771175 VYCQBXZCXQODBO-ZMNCSTGQSA-N 367.262 3.330 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1 587189725 DILPSUAZJWTKDS-CYBMUJFWSA-N 355.398 3.015 0 1 FGAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cccnc1N1CCOCC1 963102411 KCVAOIQFNXKJMH-YLJYHZDGSA-N 353.441 3.167 0 1 FGAF O=C(O)c1cccc2c1CCN[C@]21CCCN(C(=O)c2ccccc2)CC1 963121021 ILRJWEWXZYFBMH-QFIPXVFZSA-N 364.445 3.052 0 1 FGAF O=C1CC[C@@H]2C[C@]3(CCN12)c1cccc(F)c1CCN3[C@H]1CCSC1 962713348 RKAHYKWHLQYQAA-QEEYODRMSA-N 360.498 3.169 0 1 FGAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3)cc2)C1=O 1772586369 UMNGJWMRSDXZLA-UHFFFAOYSA-N 374.462 3.496 0 1 FGAF COc1ccccc1N1CCN(C[C@H]2CC(=O)c3ccsc3C2)CC1 13471651 GFOUFGCPXBMGCF-HNNXBMFYSA-N 356.491 3.324 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@@H]4[C@@H](C2)N(C)CC[C@]341 169311141 ISCBIDVJEHJCIE-LFAPXABMSA-N 355.478 3.206 0 1 FGAF CCOc1cccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709267 XZXFJBIKAJTFNR-KXBFYZLASA-N 369.465 3.335 0 1 FGAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)Cc2cccs2)C1=O 200050009 PJOZTEMBONUMCT-GOSISDBHSA-N 356.491 3.297 0 3 FGAF O=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 205826783 TYANKAOAMQYNHL-BOPFTXTBSA-N 372.384 3.469 0 1 FGAF c1cncc(-c2cc3c(-c4cncc(NC5CCNCC5)c4)n[nH]c3cn2)c1 205254158 BWIRYGQAWXKGTO-UHFFFAOYSA-N 371.448 3.246 0 1 FGAF CCCCOc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1 207165635 KVMFCSAWXCAWRI-UHFFFAOYSA-N 355.431 3.104 0 1 FGAF Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)C2CCOCC2)cn1 207692896 KTHYXVISZNVVNJ-QGZVFWFLSA-N 359.857 3.379 0 1 FGAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2c1CCC2 1857597590 HCLMHNUCNNBTLD-UHFFFAOYSA-N 374.444 3.412 0 1 FGAF Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)CS(=O)(=O)O2 1857608896 AEXYREZPBIKLBC-INIZCTEOSA-N 358.394 3.174 0 1 FGAF O=C(c1nn2c(c1-c1cc(F)c(Cl)cc1F)OCCC2)N1CCC1 1857632102 LTQPXIUEDFTWNR-UHFFFAOYSA-N 353.756 3.110 0 1 FGAF Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 2724951 PUPBVTHFUFLUAI-SANMLTNESA-N 369.421 3.334 0 1 FGAF CCOc1cc2[nH]c(=S)n(C[C@@H]3CCCO3)c(=O)c2cc1OCC 2976554 IGESMSJFNUYRDU-NSHDSACASA-N 350.440 3.035 0 1 FGAF O[C@H](c1cccc(Cl)c1)[C@@](O)(Cn1cncn1)c1cccc(Cl)c1 26008786 CPVMOXCTWBWUSP-IAGOWNOFSA-N 364.232 3.206 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N4C[C@H](C)C[C@@H](C)C4)ncc-3c2c1 102342838 RUQLHDSPBUUMJE-ZIAGYGMSSA-N 352.438 3.055 0 1 FGAF O=C(Nc1ccc2ccccc2n1)c1ccc(OCCCc2nnn[nH]2)cc1 28218986 OTKQFXXAASNTOH-UHFFFAOYSA-N 374.404 3.012 0 1 FGAF Cc1noc(C)c1Cn1cc(N2CCCN(Cc3ccccc3)C2=O)cn1 115732120 OMHIQIJKAPBHKE-UHFFFAOYSA-N 365.437 3.369 0 1 FGAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1cccc(Br)c1 28523816 SEJVDMDPLMFFQF-UHFFFAOYSA-N 351.229 3.468 0 1 FGAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 28770518 WUSKBUXCDVMDOU-ZBFHGGJFSA-N 363.410 3.093 0 1 FGAF COc1cccc(OC)c1-c1nnc(CN2CCc3ccsc3C2)o1 95603539 IJURDIFNCZVCOY-UHFFFAOYSA-N 357.435 3.374 0 1 FGAF CCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253634584 GIZCUFCOBVPITN-WZYJEVSISA-N 355.478 3.062 0 1 FGAF C[C@@H]1NC(=O)[C@@H](CCC(=O)Oc2ccc3oc4ccccc4c3c2)[C@H](C)N1 618016132 GDIZEAZHVXLFES-YDHLFZDLSA-N 366.417 3.342 0 1 FGAF CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(F)c3)n2)CC1 653864135 JTTXOMDVWFQDIN-UHFFFAOYSA-N 363.408 3.012 0 1 FGAF CCCc1c(O)ccc2c1O[C@](c1ccc(O)c(OC)c1)([C@H](C)O)CC2=O 587480234 OEHUSBDYJKANFC-QKVFXAPYSA-N 372.417 3.300 0 1 FGAF O=C1C[C@@H](c2nc3c(Cl)ccnc3[nH]2)CN1Cc1ccc(F)cc1F 587151184 XDZNDMBYNFBPHR-SNVBAGLBSA-N 362.767 3.406 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C(=O)O)C2(C)C)N1 587826354 KNDAPVXFBAYZSZ-FUXNSRLFSA-N 356.235 3.448 0 1 FGAF COC(=O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429090 SHFYWGZVNBMBFL-IERDGZPVSA-N 370.376 3.430 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596145 UVKJTXCKIQKNLU-APXLUKDGSA-N 354.358 3.066 0 1 FGAF O=C(O)c1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526883 ROUXQEZDUYVZRB-OAQYLSRUSA-N 363.369 3.076 0 1 FGAF COC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1OC 587034830 HZQBEZMRQMUIGF-ZDUSSCGKSA-N 358.419 3.276 0 1 FGAF COc1nccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043193 QLROJYZMBDFECI-LBPRGKRZSA-N 360.826 3.275 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2([C@H](N)CC(C)C)C(F)(F)F 963612013 RRUQHWJMWMFTST-UXEPBGEESA-N 360.420 3.369 0 1 FGAF O=C1Cc2cc([C@H](O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1 597268 JZAYUGIZPPLLGT-OAQYLSRUSA-N 368.452 3.308 0 1 FGAF CCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CC)n(CCC)c1=O 12405430 HXWAWQNTQZSAJM-UHFFFAOYSA-N 358.486 3.103 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccnc2)CC1 13611989 NAUBDHSOTWCGCF-UHFFFAOYSA-N 350.344 3.455 0 1 FGAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1 4238167 ODZHFURLCXLMOG-QFIPXVFZSA-N 367.493 3.162 0 1 FGAF COc1ccc([C@@]2(C)CN(CC(=O)c3ccc(F)cc3F)C(=O)N2)cc1 1857544083 CSUXDFAMRJSKPQ-LJQANCHMSA-N 360.360 3.097 0 1 FGAF O=C(CSCc1ccccc1Cl)N1CCN(c2ccccn2)CC1 2965068 CEEQZUMJDSZWSJ-UHFFFAOYSA-N 361.898 3.317 0 3 FGAF COc1cc2c(cc1OC)[C@H]1Cc3cc(O)c(OC)c(C)c3CN1CC2 2356486213 JUKVDJSYYRHQDR-QGZVFWFLSA-N 355.434 3.382 0 1 FGAF O=C(NC(=O)c1ccccc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 29390826 CLSDZBRIZUJFJR-MRXNPFEDSA-N 366.446 3.108 0 1 FGAF O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCCO 101750011 KWODDVHRFFROSJ-FXELSEDVSA-N 361.441 3.107 0 1 FGAF CN1C(C)(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1(C)C 52913585 BDBJXDJHRQCGDD-UHFFFAOYSA-N 369.868 3.185 0 1 FGAF in-vitro CCN1CCN(CCOC(=O)C(C)(c2ccccc2)c2ccccc2)CC1 103290794 CZIKHGMXOBLDNW-UHFFFAOYSA-N 366.505 3.173 0 1 FGAF CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](CN1CCCC1)c1ccccc1 29042865 WZXRZUIDXQFXGL-LJQANCHMSA-N 366.461 3.253 0 1 FGAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2 27903715 XSCLLXQHZKNMDH-DSJMHWKBSA-N 369.246 3.494 0 1 FGAF CN1C(=N)N[C@](c2ccncc2)(c2cccc(-c3cccc(F)c3)c2)C1=O 34806303 BYOHYWAJTOLKKC-OAQYLSRUSA-N 360.392 3.128 0 1 FGAF CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1cc(F)ccc1F 74373515 XGRQHBWFDXDTNO-SFHVURJKSA-N 363.339 3.473 0 3 FGAF COc1c(O)cc2c(c1CC=C(C)C)O[C@@H]1c3ccc(O)cc3OC[C@@]21O 14713045 VNKBPGVSBWRHTG-NHCUHLMSSA-N 370.401 3.329 0 1 FGAF biogenic Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 45364880 KOTPMHSELVJHPI-IBGZPJMESA-N 362.477 3.169 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3cccnc3)cn2)c2ccsc2c1=O 49115274 FLAPGGIPKPXUDP-UHFFFAOYSA-N 363.398 3.267 0 1 FGAF COc1cc2c3c(-c4cccc(O)c4)c[nH]c(=O)c3n(C)c2cc1OC 40403483 DWVVLRAOYNHUAO-UHFFFAOYSA-N 350.374 3.410 0 1 FGAF C[C@H]1[C@H](O)CC[C@H]2C[C@@H](CCCCCCC[C@@H](O)CC(=O)O)CCN21 85488296 BNVBPCHYPWGIAO-LTFXXXRZSA-N 355.519 3.177 0 1 FGAF biogenic,in-vitro CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 96903290 YLQFBDYPFRCGJG-GOSISDBHSA-N 359.441 3.381 0 1 FGAF O=C(O)c1cc(NCc2ccccc2)nc2c1cnn2Cc1ccncc1 95585421 RPTJUHXTOQFVSS-UHFFFAOYSA-N 359.389 3.185 0 1 FGAF CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377845646 CPXDLHXFNRFIAD-UHFFFAOYSA-N 372.106 3.295 0 1 FGAF Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473106848 YFSPAPVKERHWCP-CYBMUJFWSA-N 361.369 3.312 0 1 FGAF C[C@@H]1CCc2cc(-c3nccn3C)ccc2N1C(=O)c1ccc(O)cc1O 653682150 OJZZFYPZMQVSJV-CYBMUJFWSA-N 363.417 3.480 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c(C(=O)O)c(C)c41)[C@@H](C2)C3=O 587438154 MTDLXEJMXSIKEE-FKIZINRSSA-N 353.374 3.009 0 1 FGAF O=C(O)c1cc(F)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005778 RZSDEBNUOHJUNZ-UHFFFAOYSA-N 371.553 3.273 0 1 FGAF NC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611846 KDZYNBFNPVEPIW-QFBILLFUSA-N 353.399 3.270 0 1 FGAF COc1cc2c3c(c1)O[C@H](Cc1c(Cl)nc(C)nc1Cl)[C@@H](C2)C3=O 587423079 TYDPDDKIYNSQMD-ZYHUDNBSSA-N 365.216 3.459 0 1 FGAF CCOC(=O)Cc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439498 BBSAUIQXJJBRDT-VGSWGCGISA-N 366.413 3.464 0 1 FGAF COc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774207 TXOKCUDIXJADBY-VXJOIVPMSA-N 352.207 3.010 0 1 FGAF O=C(CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1cccc(F)c1 587163128 MRNCTFNPWZJPDP-UHFFFAOYSA-N 352.369 3.158 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cn1)OCO2 587588908 VFIUTNWYEWSVIE-PXNSSMCTSA-N 363.325 3.219 0 1 FGAF N=c1nc(O)c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2[nH]1 587785036 XQAHNZNGUYZGJM-FLIBITNWSA-N 359.389 3.220 0 1 FGAF O=C1c2ccccc2O[C@@H](c2ccccc2O)[C@]12NCCc1ccc(O)cc12 963340809 IIXNBBUNWQMWPZ-XZOQPEGZSA-N 373.408 3.455 0 1 FGAF COc1ccccc1N1CCN(CC[C@@H]2CCc3occc3C2=O)CC1 13471706 ISMVUGWKBNSWMT-INIZCTEOSA-N 354.450 3.246 0 1 FGAF CC(=O)Nc1cccc(-c2cncc(Nc3cccc(OCCN)c3)n2)c1 13679228 ZKFXUGYLQAMRAD-UHFFFAOYSA-N 363.421 3.183 0 1 FGAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C[C@H](CCCO)CCCO1 13829112 RVTUNYBFQNZSLG-PBHICJAKSA-N 359.388 3.193 0 3 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCC(=O)O 15060596 ZOCFIYOANZRNDX-YKPSUEFWSA-N 354.487 3.043 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@H]2C(=O)Oc1ccccc1 169358680 RLATZNIHDCUZGM-MDNKFWRPSA-N 365.429 3.300 0 1 FGAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1c(C)noc1CC 169712566 NAVYPUKXFWOZSU-RDJZCZTQSA-N 362.426 3.120 0 1 FGAF O=C(N[C@@H](Cc1ccccc1)[C@H](O)c1nc2ccccc2[nH]1)c1ccccn1 206054507 GXWGCHGSSRBKIC-PMACEKPBSA-N 372.428 3.033 0 3 FGAF COc1ccc(-c2ccc(Sc3cc(=O)n(O)c(O)n3)cc2)cc1F 1857764099 QQMQWMNHMVIWQH-UHFFFAOYSA-N 360.366 3.152 0 1 FGAF COc1ccc([N+](=O)[O-])c(-c2cnn(-c3nccc(C(F)(F)F)n3)c2)c1 3591546 PISGVPJLJZADHB-UHFFFAOYSA-N 365.271 3.265 0 1 FGAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)Nc3cccnc3)c(C)o2)cc1 4683521 DYWVYXNAOYVNRE-AREMUKBSSA-N 369.446 3.241 0 1 FGAF O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N1CCN2C(=O)C1CC1 115654357 DILKNXNQZMMRFL-FQEVSTJZSA-N 352.821 3.249 0 1 FGAF COC(=O)c1ccc2c(c1)S(=O)(=O)N=C2Sc1cc(C)ccc1C 64664158 ZROLTBJDFHJSIQ-UHFFFAOYSA-N 361.444 3.331 0 1 FGAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1 28889892 RKOKKJNHWVYIIF-UHFFFAOYSA-N 358.405 3.228 0 1 FGAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 117698912 CVQBWFINWCSMJB-UHFFFAOYSA-N 373.416 3.248 0 1 FGAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@H]1[C@@H](C(=O)O)C[C@](C)(O)C[C@H]12 2356425903 MSGBRRFYWMOJJU-XUJYJXQGSA-N 362.422 3.162 0 1 FGAF O=C1Nc2ccccc2C[C@@H]1N1CCN(Cc2ccc(Cl)cc2)CC1 22454083 NKJVFWPJNBYTCK-IBGZPJMESA-N 355.869 3.021 0 1 FGAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1[S@](=O)c1ccc(F)cc1 28380426 VNYCGFXZOQHLEM-QFIPXVFZSA-N 351.424 3.186 0 1 FGAF COc1ccccc1-n1c(CC(=O)c2ccncc2)nc2ccccc2c1=O 29396898 QGNLNCZKYHPEJH-UHFFFAOYSA-N 371.396 3.215 0 1 FGAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccccc1 2356806136 AFFSAPDOMRPIOA-GGPKGHCWSA-N 372.582 3.169 0 1 FGAF CCCNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)c1ccc(Cl)cc1 36389090 QLPMSLPWXMYMTH-GOSISDBHSA-N 374.868 3.216 0 3 FGAF COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)cc3OC)oc2c1 14644367 JZIWGWPCBNNLJD-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 35950430 ZGOAABQSDQXUOB-XLRZVAKXSA-N 366.461 3.224 0 1 FGAF COc1cc([C@H](O)[C@H](C)O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 15112206 CVEOWEBXSNOTHI-GMDPXXIDSA-N 358.390 3.075 0 1 FGAF biogenic N=C1S/C(=C\c2n[nH]nc2-c2ccc(F)cc2)C(=O)N1c1nccs1 40950389 MLAAIUCKLIJJSH-HGWDMYKUSA-N 372.410 3.123 0 1 FGAF CCN1CCc2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 40919087 LDFDDPSORNXELF-UHFFFAOYSA-N 354.475 3.299 0 1 FGAF O=C(N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1cccc(F)c1 199410801 SPOXUMHDCLAIGJ-SFHVURJKSA-N 358.388 3.276 0 3 FGAF C/C=C1/[C@@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13 238779763 QZOWXKDNCYWNHV-BFSABCBUSA-N 368.477 3.208 0 1 FGAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CC(=O)O 59789361 VUDYWBBYQWVFAG-WZTOMZFXSA-N 374.477 3.149 0 1 FGAF biogenic COc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 299835100 KJNIOOMNMIFBHV-UHFFFAOYSA-N 360.461 3.416 0 1 FGAF CCOC(=O)[C@H](F)[C@H]1CCC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587418743 ASBABJPXKVEQML-DOYHJNLTSA-N 362.397 3.273 0 1 FGAF CN[C@@H](c1cccnc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587222236 IVESFPLSVHXRCH-JTQLQIEISA-N 352.623 3.078 0 1 FGAF CCOC(=O)C[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441293 JVIKBVNXVYWQIK-VGSWGCGISA-N 366.413 3.377 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)cc3c1N(C)CCC3)O2 587402149 ZBRIZYIWSMMVOQ-LJQANCHMSA-N 350.418 3.479 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587229921 DKQWXWYPVFKKST-WDEREUQCSA-N 370.375 3.013 0 1 FGAF C[C@]1(c2cn3cccnc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590872 ZSGKCKLOQDDQNW-DYESRHJHSA-N 373.368 3.312 0 1 FGAF Clc1ccc(-c2nnc(CCc3nc4cnc(Cl)[nH]c-4n3)o2)cc1 587077776 ZXMQOALDXPITIN-UHFFFAOYSA-N 361.192 3.447 0 1 FGAF CCOC(=O)Cc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587125692 UFLZKFBGRHZWRH-UHFFFAOYSA-N 361.348 3.374 0 1 FGAF O=C(O)c1cc(-n2c(O)cc(-c3ccco3)c2O)c(Br)cn1 587942306 VTJJADYFGRVGLO-UHFFFAOYSA-N 365.139 3.004 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCSC[C@H]1C(=O)OCC)CC2=O 587496699 SMNOCBKKXVWKFE-IFXJQAMLSA-N 364.463 3.365 0 1 FGAF Cc1ccoc1CN1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772642170 WZGOMGZGTMUFDR-UHFFFAOYSA-N 350.422 3.443 0 1 FGAF O=c1oc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1 5800028 CRQMQCDWCBHDSI-UHFFFAOYSA-N 351.450 3.197 0 1 FGAF CCN(CC)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O 13738796 BKROBACPXAZIEF-IBGZPJMESA-N 356.510 3.471 0 1 FGAF C[C@@H]1[C@H](C(=O)O)[C@H]1[C@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 13912557 VYTOVCNIMJIGDL-GXLVJKRPSA-N 367.401 3.063 0 1 FGAF CN1[C@H]2CC[C@@H](OC(=O)CC(O)(c3ccccc3)c3ccccc3)[C@H]1CC2 169311870 FGERHULCSOKYAS-NJDAHSKKSA-N 365.473 3.481 0 1 FGAF COC(=O)C=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 1857623380 AAWQSTSALDJMOQ-UHFFFAOYSA-N 358.390 3.326 0 1 FGAF Cc1cccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356302336 RYDBDOTWZRNPIK-RDTXWAMCSA-N 358.392 3.145 0 1 FGAF CCN1CCN(C(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1 58024230 TYVFKFLXRZCYEM-UHFFFAOYSA-N 355.463 3.236 0 3 FGAF COc1ccc(-c2oc(=O)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1O 26832375 QFOMLSFQSVGEHK-UHFFFAOYSA-N 373.361 3.042 0 1 FGAF N#C[C@@H](c1ccnc(N[C@H]2Cc3c[nH]c2n3)n1)c1nc2ccccc2s1 116418670 KORISVSXBGATCA-FZMZJTMJSA-N 359.418 3.174 0 1 FGAF Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C 101296998 BAZQBEOFVYAFHT-QAQDUYKDSA-N 371.460 3.143 0 1 FGAF COc1ccccc1-c1c(C)nn2c(O)cc(CCCc3cn[nH]c3)nc12 103525971 LEZNKNMLYHLURL-UHFFFAOYSA-N 363.421 3.317 0 1 FGAF Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1 103185188 HGVSBZQKJVQFSP-UHFFFAOYSA-N 367.784 3.494 0 1 FGAF COC1=C(OC)C[C@@H]2C(=C1)[C@@H]1c3cc(OC)c(OC)cc3C[C@@H]2N(C)[C@@H]1C 100931673 MLAVZBYGVBERLG-GSSVNKNXSA-N 371.477 3.497 0 1 FGAF O=C(O)C[C@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648186 OKDFDEMTBGQHLA-WBVHZDCISA-N 353.422 3.034 0 1 FGAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C(N)=O)CS2)cc1 66260113 OGIHLRJSKZUSKH-PXNSSMCTSA-N 364.474 3.037 0 1 FGAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(CN4CCC[C@@H]4C[C@@H]12)NC(=O)O3 2356793985 HRECJCSQVHRITB-JTVBXEMZSA-N 351.450 3.361 0 1 FGAF CCOC(=O)C1=C(N2CCCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OCC 34819605 DOTGVUGSQYURGA-YWZLYKJASA-N 373.474 3.104 0 1 FGAF CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1 35966079 PHSSTQVIBIMDLX-UHFFFAOYSA-N 350.426 3.333 0 1 FGAF Cc1ccc(Cn2cc(CSc3nnc(-c4cccnc4)o3)nn2)cc1 1911584617 BOOVSNOWJWKKPJ-UHFFFAOYSA-N 364.434 3.372 0 1 FGAF NC(=O)N1CCCc2cc(-c3cncc(-c4ccccc4CO)c3)cnc21 221475847 GGYZIZIUYJBXKG-UHFFFAOYSA-N 360.417 3.134 0 1 FGAF CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C)CC1 84713785 UMDBIKLFXMBCMH-UHFFFAOYSA-N 370.888 3.134 0 1 FGAF NS(=O)(=O)c1ccc(Cc2c[nH]c3ccc(Br)cc23)cc1 84705418 PUMLTBKEKCFMDO-UHFFFAOYSA-N 365.252 3.169 0 1 FGAF CCCCNc1ccc2c(c1)OC[C@H](Cc1ccccc1)NS2(=O)=O 96021155 NDOZMPVADZKINK-KRWDZBQOSA-N 360.479 3.181 0 3 FGAF COc1ccc(CNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928008 OBBBIYKSFPPMRZ-UHFFFAOYSA-N 360.413 3.234 0 1 FGAF c1cc(O[C@@H]2CCCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 96175006 FMCHSBJRGSMUTQ-MRXNPFEDSA-N 359.433 3.465 0 1 FGAF S=C(NCc1ccccc1)N1CCN(c2nsc3ccccc23)CC1 299819739 DEKHFYYVWGZWQC-UHFFFAOYSA-N 368.531 3.493 0 1 FGAF CCc1nn2c(=O)cc(-c3ccc4c(cnn4C)c3)[nH]c2c1-c1ccccn1 653684246 RTMHCIQMCQTZPW-UHFFFAOYSA-N 370.416 3.201 0 1 FGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(F)c(F)c3[nH]2)s1 587024266 SAARBIRKQKTFBU-UHFFFAOYSA-N 367.381 3.052 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)CCC(=O)O)N1 587831717 XQPWBYNRLOUSGO-FVMDXXJSSA-N 372.234 3.162 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc(Br)cnc2[nH]1 586967026 PBRZUHGKEMEEKH-UHFFFAOYSA-N 365.212 3.106 0 1 FGAF CC(C)OC(=O)C1(c2nc3cc(Br)ncc3[nH]2)CC(F)(F)C1 587130481 KZOJQIWEQZMOCV-UHFFFAOYSA-N 374.185 3.339 0 1 FGAF CN1CCN(c2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)CC1 587016105 GMMZQYRNWATQQU-KRWDZBQOSA-N 369.494 3.290 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cnn(C)c4)s1)[C@@H](C2)C3=O 587452450 NGYSKOPZRHNMJY-YVEFUNNKSA-N 353.403 3.041 0 1 FGAF Cc1cc(O)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655757 AHLZUTFZQMJHKE-UHFFFAOYSA-N 366.327 3.135 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586950189 BUSLVGPNDBFNGR-UHFFFAOYSA-N 359.304 3.158 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC2(C)C)N1 587828911 AZOXHYZWJLUIRY-PWJLMRLQSA-N 370.218 3.095 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)n2cncn2)N1 587756801 FLZLSBMQGFYDMW-MGPLVRAMSA-N 367.266 3.364 0 1 FGAF Cc1nn(C)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580123 HHDMZLKTUYPCQW-XLIONFOSSA-N 350.374 3.311 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cnc(Cl)[nH]c-2n1 587065149 LJKOVSPHPBIKTE-UHFFFAOYSA-N 353.165 3.011 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cc4cn[nH]c4cc3[nH]2)C(F)(F)F)n1 587093801 HBQMUEHBJHTWGI-AWEZNQCLSA-N 367.356 3.197 0 1 FGAF Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OCCCO5)s2)cn1 587022207 VXNOKORCBZWJDO-UHFFFAOYSA-N 353.407 3.248 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C(=C/N(C)C)C(=O)OC)(C1CC1)CC2=O 587469585 NXHQOHDFJIARJQ-AUFJSOOLSA-N 373.449 3.077 0 1 FGAF COCc1nnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1 587660887 IUFDIPXVIDRJTN-UHFFFAOYSA-N 368.393 3.190 0 1 FGAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1nc2c(O)cccc2n1C 963066035 LGKNGGRWTJQBRZ-QFIPXVFZSA-N 374.444 3.245 0 1 FGAF CC(C)c1nn(C)c2c1[C@@H](c1c[nH]c3nccc(Br)c13)NCC2 962921407 NNDWKGWDGVKESH-MRXNPFEDSA-N 374.286 3.417 0 1 FGAF O=C1CC[C@@H]2C[C@@]3(CCN12)c1cccc(F)c1CCN3[C@@H]1CCSC1 962713361 RKAHYKWHLQYQAA-SXGZJXTBSA-N 360.498 3.169 0 1 FGAF O=C1NCc2c1cccc2-c1ccc(NS(=O)(=O)c2ccccc2)cc1 14945178 ZRCRWIFHCHDKSW-UHFFFAOYSA-N 364.426 3.398 0 1 FGAF CCOC(=O)c1n[nH]cc1CN1CCC[C@H](C(=O)c2sccc2C)C1 15077531 KONXYJMNOMURIU-ZDUSSCGKSA-N 361.467 3.051 0 1 FGAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccc(F)cc2)cc1 169693071 ZGOWFDNGFMMSOX-ROUUACIJSA-N 370.380 3.419 0 1 FGAF O=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 3803744 QIXPVYQKDOIRDE-CHFKJATDSA-N 351.468 3.335 0 1 FGAF COc1ccccc1N1CCN(c2nc(O)c3c(n2)CCC(C)(C)C3)CC1 1857549805 DYEOTXNJHDAUDM-UHFFFAOYSA-N 368.481 3.032 0 1 FGAF Cc1cc(C)nc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c1 1857585832 KNXIBGKHVKTOCF-UHFFFAOYSA-N 358.449 3.319 0 1 FGAF CN(C)CCn1c(Cn2nc3ccccc3n2)nc2cc(Cl)ccc21 1656592 CQAAPGZAWFWTIV-UHFFFAOYSA-N 354.845 3.044 0 1 FGAF CO[C@H]1[C@@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]21 3982794 XAABSYWNTKOZII-SESVDKBCSA-N 350.370 3.144 0 1 FGAF C[C@H](C(=O)NCCC1=CCCCC1)n1c(=O)c2cccn2c2cccnc21 6797368 DAJMOLINQZKJHH-OAHLLOKOSA-N 364.449 3.217 0 1 FGAF C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1 7992780 DFIKRBHTYMXJMN-QHCPKHFHSA-N 373.456 3.298 0 3 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(OC)c2)cc1 100107260 WCNPNVDSCILEEP-AERCQKQUSA-N 365.477 3.221 0 1 FGAF CN1CCC(N2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 51076741 FSEWQFCCBYYDSS-GFCCVEGCSA-N 352.404 3.465 0 1 FGAF biogenic CC(C)c1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)cc1 114577421 NQVHAUCTRZBPOD-SFHVURJKSA-N 354.454 3.090 0 1 FGAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccc4ccccc34)c2n1 28571223 DDJRBKJSXSFYGJ-UHFFFAOYSA-N 362.437 3.115 0 1 FGAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@H]1[C@@H](C)c4ccoc4C[C@H]13)[C@H](O)OC2 2356566353 FBOCRPKLWNKMFW-UJCUHZJLSA-N 360.450 3.260 0 1 FGAF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 28127610 UUKXEUOIYIJCFT-RISCZKNCSA-N 372.391 3.060 0 1 FGAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)[C@@]1(O)CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@H]4C 2356863936 VJHKXZFTAJOMSE-RTWWGDNQSA-N 373.537 3.370 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@@]342 2356874402 YVTRTWJBTSGZJW-DZFIUHNSSA-N 357.498 3.224 0 1 FGAF Fc1ccccc1Cc1nc(-c2nc(C(F)(F)F)n[nH]2)c2cccnn12 73197668 MJLYUTGRKHDJBG-UHFFFAOYSA-N 362.290 3.263 0 1 FGAF CN1C[C@H](C(=O)Nc2nccs2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 34800951 FARIHHBFWQQJLW-XNRPHZJLSA-N 352.463 3.223 0 1 FGAF CC(C)CNc1ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(C)c2c1 34950142 JZCIWTXQXGMEMV-UHFFFAOYSA-N 357.841 3.411 0 1 FGAF CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4c3CC(C)(C)CC4)nc12 95604225 ZXXNBFFJFLSAHW-UHFFFAOYSA-N 366.469 3.012 0 1 FGAF FC(F)(F)c1nc2c(-[n+]3cc[n+](Cc4ccccc4)cc3)cccc2[nH]1 98085495 ZVPRVTLQVCJGOP-UHFFFAOYSA-O 356.351 3.194 0 1 FGAF Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(Cc3ncc[nH]3)C2)n1 299851512 IOKTZCLBYJINNP-AWEZNQCLSA-N 352.417 3.380 0 1 FGAF O=S(=O)(/C=C/c1nc2ccc(Br)nc2[nH]1)c1ccccc1 586924692 UEYAESHXNWSWFD-CMDGGOBGSA-N 364.224 3.165 0 1 FGAF Cc1cc(C)c2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc2c1 587023729 FZKODUQJHNYIFF-UHFFFAOYSA-N 359.455 3.391 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CO)n2)N1 587767884 BQPYAWCBUDRUDB-FVMDXXJSSA-N 351.219 3.099 0 1 FGAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587407794 JDUXDDJKYVMIDC-HXUWFJFHSA-N 351.358 3.107 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(C)=O)Cc4ccccc41)[C@@H](C2)C3=O 587434836 CGBCQKYXZQCUGZ-PGRDOPGGSA-N 363.413 3.090 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CC2)N1 587753983 ILVGPCFBYYGBFK-QLJPJBMISA-N 369.278 3.470 0 1 FGAF COc1ccc(Br)nc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587371973 IXRKOCWTALXPKM-CYBMUJFWSA-N 363.211 3.450 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccc(F)cc2)N1 587737450 XNTUIKWRFUBUMV-QGHHPUGFSA-N 367.237 3.464 0 1 FGAF COc1nccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586972278 GLDLSGYBJHXPOU-HNNXBMFYSA-N 356.451 3.077 0 1 FGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1 586940595 AXEKHECWJHFPBV-SREVYHEPSA-N 363.389 3.240 0 1 FGAF COc1nccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587126571 YMUBOVREGYMGHT-XCBNKYQSSA-N 352.320 3.138 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)n(C)c1)CC2=O 587470574 LKXMKECXQGMEAL-HXUWFJFHSA-N 357.406 3.350 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587441948 VRKFTMHGIRTWJO-RSXSOOJNSA-N 354.358 3.036 0 1 FGAF CN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1 1772614782 OKIZNBZMEZTTHN-UHFFFAOYSA-N 371.506 3.301 0 1 FGAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)ccc1O 5999136 VBIRCRCPHNUJAS-VPCNSNALSA-N 356.374 3.205 0 3 FGAF in-man COc1cc(OC)c2cc3n(c2c1)C(=S)N(CCc1ccccc1)C3=O 13487557 PLBAEZZILWKHLN-UHFFFAOYSA-N 366.442 3.490 0 1 FGAF COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)cc(OC)c1O 13648933 JWVGFLDJSXAINR-UHFFFAOYSA-N 357.450 3.318 0 1 FGAF NC(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 13757400 KKDBECFBNZZIPX-AWEZNQCLSA-N 363.200 3.206 0 1 FGAF CCC(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 1857594616 ZRLVZOCPZOJOQZ-UHFFFAOYSA-N 363.425 3.335 0 1 FGAF C[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(CC(=O)O)cc1 1857605577 LLAZIPBMHMGQDI-AWEZNQCLSA-N 363.417 3.205 0 1 FGAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C 1655274 SDADZOKIHXSRSR-OODPUMSMSA-N 354.487 3.498 0 1 FGAF COCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(Cl)ccc1OC 2926174 DLMYNXZROAMTQK-UHFFFAOYSA-N 373.840 3.454 0 1 FGAF CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(F)cccc1F 3815511 TWRURKGAWDEAGJ-UHFFFAOYSA-N 372.379 3.472 0 1 FGAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4043202 LAQDNFNEXRJMRQ-PKOBYXMFSA-N 355.438 3.354 0 1 FGAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 6806041 RBYITTUWJZOCBJ-XHSDSOJGSA-N 373.526 3.240 0 1 FGAF CN(C1=NC(C)(C)CN1)c1nnc(-c2ccccc2C(F)(F)F)s1 28014635 QNIHQQROURNKGA-UHFFFAOYSA-N 355.389 3.398 0 1 FGAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c(C(N)=O)[nH]c1=S 28351910 FQUWPTILIHIJCL-VIFPVBQESA-N 373.265 3.050 0 1 FGAF Cc1cccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c1 100292685 NJKSSQREUHRDMX-JZFKGDSASA-N 351.454 3.224 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356562745 CBOMORHDRONZRN-MJQMVNBJSA-N 350.455 3.027 0 1 FGAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@@H]1[C@@H](C)c4ccoc4C[C@H]13)[C@H](O)OC2 2356566350 FBOCRPKLWNKMFW-AJODGNHESA-N 360.450 3.260 0 1 FGAF COCC=C(C)C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 2356711145 KOMLQPBMYPUDGX-IJJWSBNOSA-N 352.515 3.071 0 1 FGAF COC(O)=C1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 2356840580 MSKAFRMBWXTPHY-MRXNPFEDSA-N 371.393 3.423 0 1 FGAF CC(C)CC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72102441 BPZWGWWUOKMDLW-FQEVSTJZSA-N 372.900 3.410 0 1 FGAF C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1c1ncccn1 34804531 DXAHUFHFRZSFKN-KRWDZBQOSA-N 358.445 3.495 0 1 FGAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCNC2)CC1 84652073 GQDSQCQJLXEXKL-CYBMUJFWSA-N 371.312 3.143 0 1 FGAF COc1cc(N)ccc1-c1nc(=O)c2c(-c3cccc(F)c3)nsc2[nH]1 84633304 DWVHEVXZIQHKOP-UHFFFAOYSA-N 368.393 3.444 0 1 FGAF O=S(=O)(c1ccccc1Cl)n1c2c(c3ccccc31)CCNCC2 40401910 KWHMREXWEQGZAI-UHFFFAOYSA-N 360.866 3.220 0 1 FGAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OC)C(C)C)cs1 82070409 RNBQPJWSDNZDOL-OAHLLOKOSA-N 362.451 3.136 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CO)cc2C)ncn1 149763845 WUPGWWYABMAROX-UHFFFAOYSA-N 354.454 3.156 0 1 FGAF COC(=O)Nc1cc(Br)c(Br)cc1C(=O)OC 653887869 ZEBRFAIDLOLJGG-UHFFFAOYSA-N 366.993 3.177 0 1 FGAF biogenic CCOc1ccccc1NC(=O)[C@H]1Cc2cc(OC)c(OC)cc2C1=O 473155137 PGMMLDYEAFGAOG-AWEZNQCLSA-N 355.390 3.096 0 1 FGAF COCCC[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587798540 YPSNHOYGYSTLHI-BZNIZROVSA-N 360.267 3.391 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(F)c(F)c(N)c1F 587870848 UATZIEHYZFZKNK-UHFFFAOYSA-N 352.291 3.472 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ncccn2)N1 587773132 IEIZBWZSVSLSTA-HWPZZCPQSA-N 350.235 3.370 0 1 FGAF C[C@H](O)c1ncc(-c2nc3cccc(I)c3[nH]2)s1 587022836 ZUKFALDNVBPHQY-LURJTMIESA-N 371.203 3.344 0 1 FGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C(C)(C)C)c2[nH]1 586929924 IZZYPCXQFVPERX-UHFFFAOYSA-N 373.478 3.395 0 1 FGAF Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OCO4)C(F)(F)F)n1 587094671 SIYGZXUJUQIUNV-CQSZACIVSA-N 371.340 3.049 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586879707 MXMFARZFOBDYPM-CSKARUKUSA-N 350.374 3.433 0 1 FGAF O=[S@](CCCc1nc2cnccc2[nH]1)c1ccc(Br)cc1 586959769 MCTYOKNJZBAVIQ-OAQYLSRUSA-N 364.268 3.461 0 1 FGAF CCSc1ncc2cccc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)n12 962903412 XEKNZVFDLFKXSY-DOTOQJQBSA-N 371.437 3.274 0 1 FGAF CCn1ncc2c(C)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(O)n3)cc21 1772633408 XUBLMBDOMZKUMO-OAQYLSRUSA-N 364.449 3.300 0 1 FGAF CC1=NC(=O)N[C@@H](c2ccccc2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169687131 ZWWJSOLJZFTWCL-ROUUACIJSA-N 366.373 3.000 0 1 FGAF COc1ccccc1C(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205225381 CDHHKDGZAGCPMS-LRDDRELGSA-N 374.799 3.363 0 3 FGAF CN1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 4087047 XBTJRPOSBKRGLW-UHFFFAOYSA-N 371.506 3.385 0 1 FGAF CCCCOc1ccc(OCCCNc2nc(N)nc(O)c2N=O)cc1 27738970 MPVGBTCWEYQBBX-UHFFFAOYSA-N 361.402 3.222 0 1 FGAF CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCC2CC2)on1 36384161 DAXOTUYQQIBFGA-UHFFFAOYSA-N 350.422 3.289 0 3 FGAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 82082114 QQVVZDHNUIXYHW-OAHLLOKOSA-N 373.434 3.067 0 1 FGAF COc1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)cc1O 40395667 PQFNGONRIQPGDV-NSMLZSOPSA-N 358.390 3.190 0 1 FGAF COc1ccc(/C=C2\CO[C@H](c3cc(OC)cc(OC)c3)[C@H]2CO)cc1 49035050 IPXWZYMNCUNLJQ-ZCEFJUMESA-N 356.418 3.476 0 1 FGAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 95570709 JMLPSYBRZSZXBT-NRFANRHFSA-N 364.445 3.208 0 3 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)[C@@H]2c2ccco2)cc1 95585903 OZIROVZJQZMINS-GOSISDBHSA-N 370.405 3.344 0 1 FGAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(C)c1)[C@@H](O)C2=O 238738854 LXGLWXNESDYZPZ-VQTJNVASSA-N 370.401 3.298 0 1 FGAF NC(=O)c1cncc(OCc2cccc(NC(=O)C3=CCCCC3)c2)c1 653888018 KSJJONLPHVWOHQ-UHFFFAOYSA-N 351.406 3.198 0 1 FGAF COc1cc(C(=O)c2c[nH]c3c(OC)cccc23)c(N)c(OC)c1OC 653713183 VPGSCCSCDSHCSK-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587079553 JFOBEXNQRFONAT-ZDUSSCGKSA-N 369.812 3.122 0 1 FGAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587585199 BOSCWMXVDUQWIS-PGRDOPGGSA-N 373.364 3.226 0 1 FGAF C[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc(Cl)cn1 587078710 ADXKNWANUWUTKR-SCSAIBSYSA-N 351.119 3.436 0 1 FGAF CC(C)(n1cncn1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581522 LUITXZBKIYSDHP-JXFKEZNVSA-N 365.389 3.139 0 1 FGAF COc1ccc2[nH]c3c(c2c1)CC[C@@]31NC[C@H]2CC(=O)N(C)c3cccc1c32 963028313 OZGLOFXJEGIUKI-ZLOXQWCVSA-N 373.456 3.420 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCC(=O)[C@H]1CCC(C)=O)N(C)[C@@H](C)C2 962567902 KDJCEPQSPBJIRP-CQURBHOASA-N 359.466 3.124 0 1 FGAF COC(=O)Nc1noc2cc(-c3c(-c4cccnn4)n[nH]c3C)ccc12 1772586463 ZPIQGJWHWJVBLH-UHFFFAOYSA-N 350.338 3.162 0 1 FGAF N[C@@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1 205252006 JAOCMDKJISHOCW-CQSZACIVSA-N 374.423 3.363 0 1 FGAF O=C(NCc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205227254 WJYQEMKGUJAKOY-CZUORRHYSA-N 373.815 3.424 0 3 FGAF C=CC(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 1857559337 FBGUBJBIBHQIEI-UHFFFAOYSA-N 361.409 3.111 0 1 FGAF CC(C)NC(=O)c1c(NC(=O)c2cccc(Cl)c2)nc2ccccn12 1857584687 GDJYBXFPZCAGKU-UHFFFAOYSA-N 356.813 3.378 0 1 FGAF CCOC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 2486295 DJUKBYMJHIDYAY-UHFFFAOYSA-N 353.344 3.428 0 1 FGAF C[C@H]1CN(c2ccn3ncc(-c4ccc(-c5ncc[nH]5)cc4)c3n2)C(=O)O1 116184739 SVVPLSULEPLHDS-LBPRGKRZSA-N 360.377 3.132 0 1 FGAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1 59262788 RIVHKFKXQNJYDP-PXNSSMCTSA-N 371.525 3.423 0 1 FGAF CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc([C@H]2CCCN2)s1 23145660 DJMCVHMQFWBREU-OAHLLOKOSA-N 368.462 3.495 0 1 FGAF O=C(O)CC[C@H](NC/C=C/c1cccc(Oc2ccccc2)c1)C(=O)O 29571266 BHNIZFOCTFSDNF-FZMUQLTDSA-N 355.390 3.400 0 1 FGAF COC(=O)C1=CCC[C@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 2356418020 VDWIZUGYFOMUJZ-PMXSJFBMSA-N 366.498 3.292 0 1 FGAF COc1cc(OCC=C(C)C)c(C=CC(=O)O)c2c1C[C@H](C(C)(C)O)O2 2356504889 IXDPQGMWVFSXMM-QGZVFWFLSA-N 362.422 3.212 0 1 FGAF FC(F)(F)c1ccc(O[C@@H]2COCCN(Cc3ccccn3)C2)cc1 2356727332 DSWYPPCZUFNWOM-KRWDZBQOSA-N 352.356 3.380 0 1 FGAF O=C(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26004785 BYNQSWQNNJNNDS-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40836607 AMMIKVRYXNRYLI-QPLYDRNXSA-N 370.804 3.130 0 1 FGAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCC2CCCCC2)co1 82070514 DTHGTQCWWZWOGJ-OAHLLOKOSA-N 369.465 3.465 0 1 FGAF CN(C(=O)Cn1c(=O)oc2ccc(-c3ccncc3)cc21)c1ccccc1 84742245 ZDICXCNEQNSPIK-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF Cc1cc(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c(C)c1 45389105 DTCDDPOBJLMFDD-UHFFFAOYSA-N 350.827 3.145 0 1 FGAF Nc1nc2c(c(N3C[C@@H]4CCCN[C@@H]4C3)n1)CCCC[C@@H]2c1ccccc1 49054914 KMYVBYYBQAUEAL-YQVWRLOYSA-N 363.509 3.105 0 1 FGAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@]3(C)CCC[C@]21COC3=O 137057153 MOVDBBMNRKQFTQ-IOSSYPJHSA-N 374.433 3.417 0 1 FGAF Cc1cc2c(cc1Cl)S[C@@H](C(=O)c1ccccc1)NS2(=O)=O 40834878 SKNLYQOSTABMNF-HNNXBMFYSA-N 353.852 3.241 0 1 FGAF O=C(N1C[C@@H]2CN(c3cccc(F)n3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 96283279 ONDATJWTDJKWQG-GLPCNKFJSA-N 369.484 3.332 0 1 FGAF CC(=O)N(CC1CCC1)C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1 95895762 ROUZYGJQEJQROM-DNVJHFABSA-N 368.521 3.319 0 1 FGAF CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95877322 UOXJBICYQMZMNX-VJBWXMMDSA-N 364.489 3.125 0 1 FGAF C[C@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@@H]1CC[C@@]34CO 238776909 QFJIDODJONXZLG-SYGHOHCSSA-N 359.510 3.307 0 1 FGAF COc1cc(C[C@@]23COc4cc(O)ccc4[C@@H]2OC(C)(C)O3)ccc1O 34165776 LADUYWRGWOLTCM-AZUAARDMSA-N 358.390 3.304 0 1 FGAF biogenic OC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 43527742 REAIVFLMPYAPSK-QRVBRYPASA-N 364.493 3.366 0 1 FGAF biogenic CNc1nc(NCc2ccc(N(C)C(C)=O)cc2)cc(-c2ccccn2)n1 299835800 LVSFZOJQHNHAQO-UHFFFAOYSA-N 362.437 3.175 0 1 FGAF COC(=O)CC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592729 JXMXVDGVVUDGPK-NDRIFHLMSA-N 354.358 3.066 0 1 FGAF Cc1ccc(CNC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388201 XWRBDIZKOOBZJK-OAQYLSRUSA-N 352.434 3.316 0 1 FGAF Fc1cncc(Cl)c1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587175275 ANENOPTYPYZJLJ-UHFFFAOYSA-N 360.820 3.173 0 1 FGAF O=C(O)C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604736 VXYZYLKYOQGGHF-CYFODOTGSA-N 354.358 3.367 0 1 FGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)cc2[nH]1 587094257 OFGKCKVEWFLNRV-ZCFIWIBFSA-N 350.138 3.455 0 1 FGAF N=C(N)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586994938 FIPFGQLCUVYTOG-UHFFFAOYSA-N 358.243 3.264 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](COC)([C@H](CC)C(=O)OCC)CC2=O 587485316 VHSFFUUNVIDVIT-QRWLVFNGSA-N 364.438 3.284 0 1 FGAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nc(O)nc3[nH]2)cc1 587159326 YLGGUMOIKAYRAP-UHFFFAOYSA-N 350.309 3.050 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(OC)cc3[nH]2)c1 586930343 JZFDBFCPRIBMNU-UHFFFAOYSA-N 359.451 3.269 0 1 FGAF C[C@]1(c2cc3ccccn3c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227551 QDSXRZNHBGDARV-IFMALSPDSA-N 357.413 3.350 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@@]12CCCC[C@]21CCOC1=O 961314964 BERGPNXZYXMJMC-FGZHOGPDSA-N 373.493 3.292 0 1 FGAF Cc1cnc(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cn1 11878899 PUOVNHXZESKMMN-QGZVFWFLSA-N 367.449 3.307 0 3 FGAF c1ccc(-c2nnc3c4ccccc4c(OCC4CCNCC4)nn23)cc1 13559993 BPPPQWRMTWGDJW-UHFFFAOYSA-N 359.433 3.323 0 1 FGAF CC(C)[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 19446079 DMKKXCDJXZZGJN-SFHVURJKSA-N 374.558 3.040 0 3 FGAF CN[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@H]2CC[C@@H]34)C1 152945806 PSCHPNOCVHDNMF-SQEOQVQLSA-N 359.510 3.050 0 1 FGAF Cc1cc(C)n(C(=O)COc2c3ccoc3cc3oc(C)cc(=O)c23)n1 1857619134 GQMRXRDTIGTWSY-UHFFFAOYSA-N 352.346 3.380 0 1 FGAF COc1ccc(O[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)=O)c1 7992143 VZCQXKQDISUSLN-HLAWJBBLSA-N 354.402 3.334 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1[C@H](O)C=C2C1=CC(=O)OC1 119306086 LOUCJBIZSPLEFL-IPCNWVSYSA-N 372.505 3.380 0 1 FGAF in-man CCS(=O)(=O)c1ccc2c(c1)nc(CC(C)C)n2CC1CCOCC1 29042802 BRXDVUXXBIZTCE-UHFFFAOYSA-N 364.511 3.455 0 1 FGAF COC(=O)c1c(N)nnc2c(C)c(C)c(O)c(Sc3ccccc3)c12 34790487 OQFAZSPABFMRDG-UHFFFAOYSA-N 355.419 3.472 0 1 FGAF O=C(Nc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1 43072629 HTAZKQMMJVVVSK-UHFFFAOYSA-N 355.438 3.432 0 1 FGAF in-vivo Cc1cc(C)cc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c1 40421538 OVLZIBDPQIDQAG-UHFFFAOYSA-N 354.431 3.313 0 1 FGAF CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccn2)[C@H]1CO 84671462 YXLCOBLTAWMMRS-HUMDQVGNSA-N 365.521 3.203 0 1 FGAF COc1cc2nc(N3CCOCC3)nc(NC3CCCCC3)c2cc1OC 82125155 TVOUBIFAOCBKTK-UHFFFAOYSA-N 372.469 3.228 0 1 FGAF NCCNc1cc2cc[nH]c(=O)c2c(Nc2cccc(C(F)(F)F)c2)n1 96174441 OJRBUABMNYGRMY-UHFFFAOYSA-N 363.343 3.056 0 1 FGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1Cl 261178399 VLRSKZGILZFQDL-LBPRGKRZSA-N 369.204 3.343 0 1 FGAF COc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1Cl 621429330 GWPDUERPIDBSHH-XAVKZTDYSA-N 359.809 3.174 0 1 FGAF O=C1CC=C(c2nc3cncc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587163725 NVHYTGDPWMIRBU-UHFFFAOYSA-N 357.776 3.028 0 1 FGAF O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 587638304 VZRMTZSCFMIVNZ-UHFFFAOYSA-N 370.336 3.476 0 1 FGAF Cc1cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 586946119 RJGHQZYBHWZWTR-UHFFFAOYSA-N 374.447 3.066 0 1 FGAF C=CC(=O)Nc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587243663 IPRYGJLLJHQJAP-UHFFFAOYSA-N 362.433 3.187 0 1 FGAF Cc1cc(Br)cc2nc(CSc3nc(O)cc(O)n3)[nH]c12 586967313 XJHVDBTVIAPUIH-UHFFFAOYSA-N 367.228 3.127 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Cl)cn1 587868365 LUCSQPJBZHDCDN-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF CC(C)(C)c1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587560917 BQFKIQKBQKVODR-AWEZNQCLSA-N 363.417 3.381 0 1 FGAF Cc1nc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2cc1Br 587094392 RDGOTYWKQPIYAO-LURJTMIESA-N 365.153 3.158 0 1 FGAF CC(=O)Nc1cccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 587655194 VSWBFJCKIYQFHZ-UHFFFAOYSA-N 372.837 3.253 0 1 FGAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)O 587400376 NGFGBMRIGWNAQI-DIFFPNOSSA-N 371.389 3.144 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CN(C3)C1 587791706 MNJBTQRMBMURDK-OASQACQPSA-N 365.290 3.289 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2n1 587149591 NMRDHIJCINPEMB-UHFFFAOYSA-N 369.331 3.090 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)c(C)c3[nH]2)cc1 586941423 STBCLLDVLSUKIY-MDZDMXLPSA-N 359.426 3.409 0 1 FGAF Clc1cccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)c1 167249672 FTJSXAOKTZHFSG-UHFFFAOYSA-N 371.872 3.184 0 1 FGAF CC1(C)Cc2c(sc(NC(=O)c3ccccc3O)c2C(N)=O)C(C)(C)O1 1772573420 GUQBGXNPEQJVNA-UHFFFAOYSA-N 374.462 3.391 0 1 FGAF S=C1Sc2ccc(I)cc2C2=NCCCN12 1857539493 BZAVJMMRSZOANQ-UHFFFAOYSA-N 360.245 3.134 0 1 FGAF Cc1cc(NCc2cnc3nc(N)nc(N)c3c2C)ccc1Br 5892172 YIWKNSVDJMQTLC-UHFFFAOYSA-N 373.258 3.181 0 1 FGAF CN1CCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2)CC1 169322296 NKIPRTCLKNFPJA-MRXNPFEDSA-N 351.288 3.396 0 1 FGAF COc1ccccc1[C@@H]1N(c2ccc(S(C)(=O)=O)cc2)C(=O)C1(C)C 169324195 RSGFMNPGFQZWQQ-KRWDZBQOSA-N 359.447 3.213 0 1 FGAF CCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC(=O)O)cc1 169345988 PSDFBPHSZJSDLT-UHFFFAOYSA-N 354.406 3.096 0 1 FGAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 169701355 DJPBNQLBPNZGFT-RXVVDRJESA-N 370.456 3.413 0 1 FGAF O=C(NCCCN1CCN(c2nccc3ccccc23)CC1)c1ccccc1 1857596123 FJTUELRAUXXLBI-UHFFFAOYSA-N 374.488 3.177 0 1 FGAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccc(F)cc4)nn3)ccc12 1857631567 RHBACSNWGQDAHS-UHFFFAOYSA-N 351.337 3.400 0 1 FGAF NS(=O)(=O)c1ccccc1-c1ccc2nccc(-c3ccncc3)c2n1 1857638081 KUTHJVREPGNSJY-UHFFFAOYSA-N 362.414 3.006 0 1 FGAF CCN1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762994 IZIOWQPDFIGDNG-OAHLLOKOSA-N 373.403 3.191 0 1 FGAF COc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)O)cc3c2=O)cc1 1857773915 FNWAXDURVJXKPC-YCRREMRBSA-N 365.341 3.152 0 1 FGAF O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CCCC3)c(F)cc2c1=O 27524840 GIOTWYFOKRCPDY-UHFFFAOYSA-N 350.777 3.427 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C(=O)[C@H]2O[C@@H]21 100570214 QGGPQDSQYUCJOO-KOLQMIBQSA-N 350.455 3.268 0 1 FGAF CN(C)CCO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 66251479 PVDWMCHTOGJGJJ-LLTZGFESSA-N 359.510 3.166 0 1 FGAF COCC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356565790 LLLIMNCLYFQIMS-DRAFNHJNSA-N 362.510 3.257 0 1 FGAF O=C(N[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cccc(Cl)c1 28455651 YUXICMCJPYHUSY-KRWDZBQOSA-N 372.852 3.463 0 1 FGAF COC(=O)[C@@H]1CC(=O)[C@H](C(C)C)CC2=C(C)[C@H]3CC[C@@](C)(O2)[C@H]3C(=O)C1 2356807702 YAKVVHTXESEJHZ-QIJPKNECSA-N 362.466 3.459 0 1 FGAF CN(CC[C@@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)O)c1ccccc1 2356817893 DOMKWKYHLRXQKF-IAGOWNOFSA-N 370.449 3.359 0 1 FGAF CCOC(=O)c1c(N)oc2c1c(Br)c(O)c1ncccc12 66097201 POCKQULRVIQPNQ-UHFFFAOYSA-N 351.156 3.208 0 1 FGAF COc1ccc2c(c1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 14639587 WLPRMOITFOIWQB-ZDUSSCGKSA-N 371.433 3.179 0 1 FGAF biogenic COC(=O)C1=CCC[C@H]2[C@@](C)(C[C@H](O)c3ccoc3)[C@@H]3C[C@@H](OC3=O)[C@@]12C 238784846 OUDOZOWBJINZGF-UVJZNVBJSA-N 374.433 3.170 0 1 FGAF COc1cc2c(cc1OC)[C@]1(Cc3ccccc3)OC(C)=CC(=O)N1CC2 96933709 GFMIFFFJFXRFMG-QFIPXVFZSA-N 365.429 3.418 0 1 FGAF COc1cc(C(=O)c2ccn(-c3cccc(O)c3)c2)cc(OC)c1OC 299830455 VLZRYRODCBIRIZ-UHFFFAOYSA-N 353.374 3.440 0 1 FGAF CC(C)[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(C)CC1 299836710 HPCMURSBZJAVHY-SFHVURJKSA-N 360.889 3.099 0 1 FGAF O=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1 653735432 DYDIEYCYPAHISG-UHFFFAOYSA-N 351.450 3.066 0 1 FGAF CCN(c1ccc(-c2csc(-c3cncnc3)n2)cc1)S(C)(=O)=O 587922544 DNKHZHMDJUEXMH-UHFFFAOYSA-N 360.464 3.053 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N2CCOCC2)N1 587774811 OSQBLXFOPAHPET-INCXETSXSA-N 369.278 3.184 0 1 FGAF CC1=C(c2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)NNC(=O)C1 587060030 YPWADCAWAXKHFY-SFHVURJKSA-N 368.824 3.054 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H]1CCCO1)CC2=O 587486341 KMFDAUUUSLYSBG-XLIONFOSSA-N 362.422 3.181 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccco2)N1 587830734 ULJQMDUHPRMJGX-VXJOIVPMSA-N 354.175 3.044 0 1 FGAF N[C@H](c1ccsc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587025335 LNQBLYXYCNVEKB-SNVBAGLBSA-N 352.213 3.133 0 1 FGAF OCc1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182006 BKYJCKBSHFBIHA-UHFFFAOYSA-N 368.149 3.466 0 1 FGAF COc1cc([C@@]2(C)NCCc3c2sc(C)c3C)ccc1S(C)(=O)=O 963007768 IGQUQFCUCBCWGN-GOSISDBHSA-N 365.520 3.186 0 1 FGAF CC[C@H](C(C)=O)[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962677499 ZXWFNNGXHUNZPT-CZAAIQMYSA-N 354.450 3.164 0 1 FGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(O)c2)N1 962698010 CKPYBSDIFQQASC-GJZGRUSLSA-N 355.287 3.238 0 1 FGAF COC1CCC2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962675377 WRHVNZWJSKVEFP-VYHPPPRESA-N 354.450 3.118 0 1 FGAF Clc1cccc(Cl)c1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1 225925169 KJLMDBQYMBVZGL-UHFFFAOYSA-N 372.219 3.480 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 169723974 ODNRMADAEHKFII-DOTOQJQBSA-N 359.422 3.355 0 1 FGAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCC4)cc3)oc12 1857568214 YLHYEJJMEGMATE-UHFFFAOYSA-N 353.374 3.480 0 1 FGAF COc1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)n3C)c(C)c1 1857577002 QKBGNVCABCTNCY-UHFFFAOYSA-N 353.426 3.306 0 1 FGAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccc(C)cc23)N1 1857580266 NROCYIRJNRNAGU-SFHVURJKSA-N 353.447 3.249 0 1 FGAF O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 1857608578 UCYDPBRUQDHQIG-SNVBAGLBSA-N 363.343 3.325 0 1 FGAF O=C(O)C(Br)(CCOc1ccc(Cl)cc1Cl)C(=O)O 2356313250 VFQQHKPKRIPXSR-UHFFFAOYSA-N 371.998 3.065 0 1 FGAF COc1ccc(Cl)cc1C(=O)NCCc1cccc(CCC(=O)O)c1 103298925 RMBSBTZPPOIAIF-UHFFFAOYSA-N 361.825 3.338 0 1 FGAF FC(F)(F)c1ccc(O[C@@H]2COCCN(Cc3nccs3)C2)cc1 2356301867 HCYBGBMACOVLEP-AWEZNQCLSA-N 358.385 3.442 0 1 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCSC1 26402044 GEEBTWKLBNLQJH-JIARVOFWSA-N 370.518 3.093 0 1 FGAF COc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)c(O)c2)c1F 61896670 AASVGDGLRQSYSY-HXUWFJFHSA-N 358.413 3.451 0 3 FGAF COC(=O)c1sc2cc(Nc3ccc(OC)cc3OC)cnc2c1N 66258717 XEXQZTVOIGTKIJ-UHFFFAOYSA-N 359.407 3.426 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C(O)C[C@]13COC(=O)C1=CCC[C@@H]23 2356531497 AHNAHYGLOSJRIT-ITKAJJHTSA-N 356.374 3.369 0 1 FGAF O=C1N=C(C(=O)c2c[nH]c3ccccc23)NC1=Cc1c[nH]c2cc(O)ccc12 2356565587 DOCOAQYXWJFYRB-UHFFFAOYSA-N 370.368 3.107 0 1 FGAF CC1(C)C(=O)[C@H](O)C[C@@H]2C1=CC[C@@H]1[C@]2(C)C(=O)C[C@]2(C)CC(=O)C[C@]12C 2356618793 IFGHJNUABITDAU-OHGCYLHCSA-N 358.478 3.263 0 1 FGAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C(=O)O)[C@@]12C 2356746459 XYVWVOQDJAKFEB-LVFOSTPZSA-N 362.422 3.317 0 1 FGAF COc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1 40405237 ZXCVHJXQJJLILE-UHFFFAOYSA-N 367.434 3.310 0 1 FGAF CC[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1 45260928 BTOVCFAIIUJMFA-CQSZACIVSA-N 363.400 3.471 0 1 FGAF Nc1nc(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc2c1ncn2[C@H]1CCCO1 43129552 QGZKDFNFCTXEHY-GBJTYRQASA-N 357.458 3.455 0 1 FGAF COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1 42922444 JTHVEMXEJRSLPM-UHFFFAOYSA-N 371.403 3.212 0 1 FGAF COC1=C[C@H]2C=Cc3c(CCN(C)C)cc4c(c3[C@H]2C=C1OC)OCO4 40864473 XPALUHVBMIQPSU-CJNGLKHVSA-N 355.434 3.320 0 1 FGAF C=Cc1cnc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 96172037 VMXMHQQRHJCOHE-IBGZPJMESA-N 352.463 3.212 0 1 FGAF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1c[nH]c2ccccc12 95578564 AYMGYVUMRGWREL-AWEZNQCLSA-N 351.358 3.310 0 1 FGAF O=C(CCc1ccccc1)N[C@H]1CC[C@](O)(c2ccc3[nH]cnc3c2)CC1 253660972 VNNYZMBLLOQECH-CXGRPWHSSA-N 363.461 3.442 0 1 FGAF CN1CCC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 587660220 DGDQNXSETZESBG-UHFFFAOYSA-N 365.408 3.185 0 1 FGAF CCc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587201732 BTXOXIFHEIERTC-KRWDZBQOSA-N 367.405 3.047 0 1 FGAF COc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587776613 YHIGCNJFXXRCMX-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF COC(=O)c1coc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615857 HTJBWCCAIXLYEZ-QFBILLFUSA-N 366.325 3.475 0 1 FGAF Cc1noc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587792516 ITBRLNIYLMGLRX-GLEZIHRCSA-N 354.223 3.272 0 1 FGAF O=C(O)c1cnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586988005 KJTNMDBIPSWQAN-UHFFFAOYSA-N 369.336 3.307 0 1 FGAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2ccc(F)c(Cl)c12 587631151 HXIOIUBOKSLUKN-CYBMUJFWSA-N 366.820 3.277 0 1 FGAF NC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979137 HWMKXCUMEAXKSH-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF COC(=O)C1=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587812398 YYDBZUZVTLMGNM-XXFAHNHDSA-N 354.219 3.211 0 1 FGAF COc1cc2c3c(c1)O[C@H](C1CCN(c4cccc(C)n4)CC1)[C@@H](C2)C3=O 587444840 QVZDNKHZJGNGDX-HTAPYJJXSA-N 364.445 3.431 0 1 FGAF COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Cl 586952113 CMRCEDZVOLCCEP-UHFFFAOYSA-N 371.890 3.223 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(O)ccc4c(C)cc(=O)oc14)[C@@H](C2)C3=O 587454210 RTFGHKOVJGBMOW-ZSEKCTLFSA-N 364.353 3.304 0 1 FGAF CC(=O)Oc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962712985 OXCGIHXZSIAEAZ-DLBZAZTESA-N 363.335 3.347 0 1 FGAF COc1cccc2c1OC[C@@H](N)[C@]21NCCc2cccc(-c3ccccc3)c21 962666658 KXURGQYBXKMLTM-ZJSXRUAMSA-N 372.468 3.471 0 1 FGAF COc1cc(Br)cn2ncc([C@H]3NCCc4ccc(O)cc43)c12 963350460 BZAXHDBHYOBZIV-INIZCTEOSA-N 374.238 3.046 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@@H](C)O)c12 1772656055 SAKGXVYMHLYTOQ-VXGBXAGGSA-N 369.425 3.293 0 1 FGAF COC(=O)[C@@]12Cc3ccccc3[C@H]1C[C@@H](C)[C@@H](C)N2C(=O)C(F)(F)F 169333169 XLELXJZZMSCKDP-HVLAWGQMSA-N 355.356 3.057 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@H]1CCCC(=O)O 169622179 VRHOOVVYFPUEHK-NGVFYKCESA-N 352.471 3.251 0 1 FGAF Cc1cc(C)c(S(=O)(=O)N2CCC(C3OCC(C)CO3)CC2)c(C)c1 1857552190 MAAFPXSWASBZDX-UHFFFAOYSA-N 367.511 3.022 0 1 FGAF CC(C)S(=O)(=O)Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857577339 WXVDEEHVGJCUSZ-UHFFFAOYSA-N 360.391 3.226 0 1 FGAF COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2)cc1O 1857586794 RACFGZBMVCDIDQ-ZDUSSCGKSA-N 360.406 3.220 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC 1699856 FFVRRQMGGGTQRH-ZSOXWFNISA-N 354.450 3.042 0 1 FGAF COc1ccc(-c2ccnc(SCC(=O)Nc3ccccn3)n2)cc1 4924941 DLOCXAGOPXHAJD-UHFFFAOYSA-N 352.419 3.278 0 3 FGAF CCNC(=O)Nc1cc(-c2cccnc2)c(-c2cncc(C(=O)O)c2)cn1 116501066 NPRNVMAREMYRDW-UHFFFAOYSA-N 363.377 3.045 0 1 FGAF O=C(c1cccs1)[C@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 102987676 OOHTXEVODQRYSL-JMIFQINSSA-N 358.507 3.042 0 1 FGAF CCOCCCN[C@H](c1nc(C(C)C)c(N2CCOCC2)o1)C1CC1 72101928 ZBUOXYGQFRKJQJ-KRWDZBQOSA-N 351.491 3.102 0 1 FGAF COc1cc(O)c2c(c1OC)O[C@H](c1c(OC)cccc1OC)CC2=O 14643495 ZDPBOEQHLBWNIV-AWEZNQCLSA-N 360.362 3.133 0 1 FGAF biogenic Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O 84605310 NKRSLISCOPHPJT-UHFFFAOYSA-N 367.457 3.149 0 1 FGAF CCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82208516 IJTJMCRXVMMTGK-INIZCTEOSA-N 360.502 3.006 0 1 FGAF Cc1cc(NC(=O)c2ccc3cc4n(c3c2)CC2(CCC2)CNC4=O)no1 147852379 MABMPBAZCWGRIE-UHFFFAOYSA-N 364.405 3.104 0 1 FGAF Cn1cc(-c2cc(C(N)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146699029 CSZKWGRFCCGFSN-UHFFFAOYSA-N 359.385 3.425 0 1 FGAF CC[C@@H](C)Nc1ncc(N2CC(c3ccc([C@@H](C)NC(C)=O)cc3)C2)cn1 149970073 QVHZGOXUQJDNFC-HUUCEWRRSA-N 367.497 3.488 0 1 FGAF COc1ccc2c(c1OC)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 85991315 OXTBPFZMVPGVIV-UHFFFAOYSA-N 365.341 3.201 0 1 FGAF biogenic CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587397746 ARSDHXBKKGHRAZ-QGZVFWFLSA-N 371.389 3.146 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587115805 BCGVFEHAGQDTEW-UHFFFAOYSA-N 373.294 3.374 0 1 FGAF COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cn1 587124656 NTSQKXJIFKZQEW-HQJQHLMTSA-N 352.320 3.138 0 1 FGAF C[C@]1(c2ccc(O)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346006 KTBWJSVQLGLNNV-UYAOXDASSA-N 366.348 3.301 0 1 FGAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C 587583059 TWMRAGRWDFHFBI-FXAWDEMLSA-N 350.374 3.311 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ncccn4)n1)[C@@H](C2)C3=O 587452683 SRUCZPCUAHEQBE-MEDUHNTESA-N 351.387 3.097 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885514 BSTJGLVUGIYTTA-FOIQADDNSA-N 367.474 3.185 0 1 FGAF COCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587584935 CBRUAPBYSGUAIQ-QFBILLFUSA-N 353.330 3.230 0 1 FGAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2Cn2cncn2)cc1 587651221 ODVJITDALDRGHO-UHFFFAOYSA-N 366.446 3.187 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(CSCC(=O)OCC)CC2=O 587491162 JNVOWFFVNDQMFI-GOSISDBHSA-N 352.452 3.365 0 1 FGAF Nc1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1C(=O)O 587248548 TVSUAUCKVLCHHF-UHFFFAOYSA-N 350.147 3.412 0 1 FGAF CN1CCC(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 587515874 WUAGSLRQNHXETK-UHFFFAOYSA-N 368.521 3.459 0 1 FGAF Cc1cnc(-n2cccc2[C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963025339 JUBQTYUTGIXBCA-DJJJIMSYSA-N 364.474 3.385 0 1 FGAF C[C@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772590389 GXNZEZLLVZAGEP-GFCCVEGCSA-N 354.389 3.291 0 1 FGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](COC)c3ccc(F)cc3)ncc12 1772636380 HMCGKEABHUTRJK-HNNXBMFYSA-N 372.404 3.038 0 1 FGAF Cc1ccc(C2(c3noc(CN(C)C[C@H]4COCCO4)n3)CCCC2)cc1 11816969 DCCSQDFQZVNSCD-SFHVURJKSA-N 371.481 3.085 0 3 FGAF CN(Cc1cccnc1)C(=O)c1cc(COc2ccc3ncccc3c2)on1 12434911 WULCOJSCDVKHFK-UHFFFAOYSA-N 374.400 3.469 0 3 FGAF COc1ccccc1N1CCN(C[C@H]2CC(=O)c3ccccc3C2)CC1 13471608 UMEYBQLIJXNFOT-QGZVFWFLSA-N 350.462 3.263 0 1 FGAF C[C@H](O)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651115 DWMZMKQTXRLFTM-QFBILLFUSA-N 362.429 3.238 0 1 FGAF Cn1nc(C(F)(F)F)c2c(=O)c3c(Cl)c(Cl)ccc3n(O)c21 14959813 RVGHXTBOLXQJEJ-UHFFFAOYSA-N 352.099 3.451 0 1 FGAF CCOc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311389 WETDHKDELFACOV-MDRSJSDFSA-N 362.495 3.089 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccc(F)c(F)c2)nn1 203462483 POSOXLKISOWVEJ-UHFFFAOYSA-N 372.375 3.373 0 3 FGAF CC(C)[C@H](CO)NCc1nc(N2CCC(C(F)(F)F)CC2)ccc1F 204414671 QDWDQSZBEYQTOW-HNNXBMFYSA-N 363.399 3.106 0 1 FGAF Cc1ccc(-n2c(N3CCN(C)CC3)nc3c(Cl)cccc3c2=O)cc1 1857536084 OCZTXVGGDPSZNV-UHFFFAOYSA-N 368.868 3.099 0 1 FGAF O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1 3956047 NMHMVZJUGHQUOC-UHFFFAOYSA-N 371.506 3.153 0 1 FGAF Fc1ccccc1/C=C1\CNCC2=C1NC(=S)N[C@@H]2c1ccccc1F 101679958 IWZGOIGTTNRBJI-XWGMLZDCSA-N 369.440 3.425 0 1 FGAF CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCO)c1ccccc1 28951415 DVLXDPTZHLUZHB-PZJWPPBQSA-N 368.408 3.062 0 1 FGAF O=C(C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1)C1CCCCC1 26951780 DURBEHWTFDUCJR-SFHVURJKSA-N 357.450 3.260 0 1 FGAF COc1cc(OC)cc(-c2cn(-c3c(O)c(F)cc(F)c3F)nn2)c1 28567479 RPRIMRXSHYUTEH-UHFFFAOYSA-N 351.284 3.074 0 1 FGAF COc1cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc(OC)c1OC 66078129 GPXBKWFDMRUFFY-KRWDZBQOSA-N 354.406 3.410 0 1 FGAF C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1 28363504 PIUOACOVBKELNG-AWEZNQCLSA-N 350.426 3.118 0 1 FGAF CC(=O)N1Cc2c(ccc(Cl)c2-c2ccccc2)N2CCN(C)C[C@H]2C1 28095685 JTXRMNMEBSPXOX-KRWDZBQOSA-N 369.896 3.490 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(F)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 73198007 DYIARSQFUAIKJI-DYVFJYSZSA-N 370.449 3.499 0 1 FGAF CC(C)C(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)C(C)C 147414410 HOESUQYIRNQYJC-HNNXBMFYSA-N 365.470 3.231 0 1 FGAF COC(=O)[C@]12C=C3CC(C4CC4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 96018505 JAFPAVUWNAMOPU-JOCHJYFZSA-N 360.413 3.015 0 3 FGAF Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261184519 WZFYVAXGOJDHFD-XLIONFOSSA-N 371.525 3.423 0 1 FGAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1N 299862514 NEFWEYATTUMQJQ-FVLHSZHDSA-N 371.433 3.151 0 1 FGAF CC(C)(C)n1nnc2c1CC[C@H](c1nc(Cc3ccc(F)cc3)no1)C2 653751510 CSWUCKIQVMWNNI-ZDUSSCGKSA-N 355.417 3.419 0 1 FGAF C[C@H]1CN(C)[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580301 BXHGISQXQNCNQY-AQBLEKOUSA-N 353.418 3.453 0 1 FGAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O 587400265 PVPVGNKPZCILHJ-FQEVSTJZSA-N 355.390 3.392 0 1 FGAF CCOC(=O)c1nn(C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515032 IFDHNHQJUHKHBG-QGZVFWFLSA-N 354.406 3.182 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)[nH]c1=NC)CC2=O 587493651 UJGUREYDFLYONU-HNNXBMFYSA-N 359.451 3.027 0 1 FGAF COc1ccc2[nH]c(=O)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587394541 HCFQBYJYAXWWBA-GOSISDBHSA-N 350.374 3.134 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c1 587064476 BNLXONWCWHQPEZ-UHFFFAOYSA-N 351.815 3.081 0 1 FGAF COc1ccc(-n2ccnc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432247 VFKOOHBHGDXQKM-UZLBHIALSA-N 362.385 3.378 0 1 FGAF COc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587389024 HUONGCJAAMVESB-HXUWFJFHSA-N 354.406 3.339 0 1 FGAF CCOC(=O)[C@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426496 CNYABXOLTFZREV-FOIQADDNSA-N 374.339 3.179 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(F)c1N1CCOCC1)[C@@H](C2)C3=O 587423471 KLQCLHZHPVDOBP-YCRPNKLZSA-N 369.392 3.160 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(CCCCc3cccc(O)c3)[nH]c12 586896263 NMUFFJLHLMOOIN-UHFFFAOYSA-N 373.478 3.084 0 1 FGAF COC(OC)c1cccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1F 963035395 RKOBOVDGOROUBK-YUNKPMOVSA-N 370.424 3.260 0 1 FGAF C[C@@H]1[C@H](C)N(Cc2ccccc2)C[C@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@H]1C 963289925 RVGYCISFLWEWFG-PMINZRJBSA-N 361.489 3.164 0 1 FGAF Cc1c(F)ccc2c1[C@](CC(=O)C(F)(F)F)(c1cnn(C)c1C)NCC2 962296318 FZCPSMMNUFRTER-KRWDZBQOSA-N 369.362 3.087 0 1 FGAF CN1CCc2cnn(C)c2[C@@H]1c1cn2cccc(OCc3ccccc3)c2n1 963955700 RKCZBRFQMQSYNS-NRFANRHFSA-N 373.460 3.224 0 1 FGAF CCOC(=O)c1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)o1 962641191 ZIVJZVHEJYPIOQ-SGTLLEGYSA-N 359.422 3.439 0 1 FGAF CC1=C([C@@]2(C)NCCc3c(C)ccnc32)[C@H](c2ccc(F)cc2)CC(=O)N1 963082540 BGYBEUROPURQLZ-PGRDOPGGSA-N 365.452 3.468 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H](c3c[nH]c4cnc(Cl)cc34)c3cccc1c32 963029236 NDDDVWXAFLYVKG-DGIBIBHMSA-N 352.825 3.359 0 1 FGAF COc1cccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c1OC 14644284 BOWQAZJBVPUOQA-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic,in-vitro CC(C)OCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167521172 RBZDDUADIMMOQI-UHFFFAOYSA-N 367.449 3.389 0 1 FGAF Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(F)c1)CS(=O)(=O)O2 1857589975 VQKGCFOMIAUJJP-INIZCTEOSA-N 358.394 3.174 0 1 FGAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C/[C@H](O)[C@H](O)CCCC(=O)O 3873139 IXAQOQZEOGMIQS-DTMLLVBRSA-N 352.471 3.129 0 1 FGAF in-vitro CCCNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccn(C)c2)s1 20860996 HYLHNWQZIFVZIQ-OAHLLOKOSA-N 359.495 3.133 0 1 FGAF Nc1ccc(C2=Nn3cc(C(=O)O)nc3Cc3ccc(Cl)cc32)cc1 28524230 DSDXQLQOIJFQSY-UHFFFAOYSA-N 352.781 3.022 0 1 FGAF C[C@@H](CNC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2)CC(=O)O 28754757 VMLPWYDZLZPORX-MRXNPFEDSA-N 373.497 3.085 0 1 FGAF Cc1nn(-c2ccc(C(N)=O)c(NCC3CC3)c2)c2c1C(=O)CC(C)(C)C2 36488326 XSTFVJMQBHIAEO-UHFFFAOYSA-N 366.465 3.257 0 1 FGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(C)c1ccccc1 73167286 LXOMSRZWBMVSJL-RTWAWAEBSA-N 354.402 3.259 0 1 FGAF C[C@H]1CN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C[C@H](C)O1 36384528 WJIDHJXPQVHCPS-BZSNNMDCSA-N 352.478 3.390 0 1 FGAF CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccncc2)NC(=S)N1 45284525 AGKXSKORYXFWEV-HNNXBMFYSA-N 358.854 3.167 0 1 FGAF CC(=O)O[C@]1(C)CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCC(=O)O 238773754 OZPCMTCOECGYQW-GFPCFBFFSA-N 354.443 3.480 0 1 FGAF CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(OC)c2[nH]1 145332843 WXOZBDKXUQIAGY-UHFFFAOYSA-N 374.404 3.132 0 1 FGAF COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O 95558623 KPGMXAQTPURKMK-UHFFFAOYSA-N 367.380 3.089 0 1 FGAF COc1ccc(C(=O)Nc2nccc3ncc(-c4cnn(C)c4)cc23)cc1 473102948 MBAQKGMTZDYDLU-UHFFFAOYSA-N 359.389 3.291 0 1 FGAF Cc1ccc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F 587146360 JLNLLJRBEQYLIY-KTKRTIGZSA-N 359.426 3.431 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1OC)CC2=O 587477625 HRPXXCLAVMGGDM-FQEVSTJZSA-N 356.374 3.299 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2cc(F)ccc21 587470765 INHVCGHDNDMTQM-HXUWFJFHSA-N 355.365 3.321 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC(N)=O)c3ccccc13)O2 587389035 DPJUHTDCDONGHH-IBGZPJMESA-N 363.417 3.114 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(Br)nc13)O2 587374396 XOYXWQJTSKVDLM-GFCCVEGCSA-N 373.210 3.318 0 1 FGAF COC(=O)c1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cn1 586977034 MFBGWVSNSULVDW-UHFFFAOYSA-N 360.211 3.406 0 1 FGAF CC(C)(C)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586959644 SQNNJEGEVKIRKV-IBGZPJMESA-N 373.478 3.329 0 1 FGAF CCCc1sc(=N)[nH]c1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587013538 PRWTXZAAHARSAH-UHFFFAOYSA-N 350.831 3.491 0 1 FGAF COC(=O)C1=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587809436 RLZKBWRBXXZVLP-ABKXIKBNSA-N 354.219 3.211 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1ccc(C(=O)O)c(O)c1)N(C)[C@H](C)C2 962629479 PDVFCEIJNPZCHG-ADLMAVQZSA-N 357.406 3.073 0 1 FGAF Cc1cc(OCC(=O)NCCO)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1183431593 PWIPVHOWHJIKLB-UHFFFAOYSA-N 371.477 3.211 0 1 FGAF CC(C)(C)c1cc(Cn2cc(CCCNC(=N)N)nn2)cc(C(C)(C)C)c1 1772604113 GPEZXMXWXVSQTL-UHFFFAOYSA-N 370.545 3.337 0 1 FGAF Cc1noc(C[S@](=O)C[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 13584892 DYTIBVLSVQCIHS-WDNXAPGXSA-N 367.902 3.016 0 1 FGAF CC(=O)Nc1ccc2cc(S(=O)(=O)Nc3onc(C)c3C)ccc2c1 13602374 SAAFDGHWWKXGER-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCCCC1 13725644 AUZJVEDTLNZEHH-UHFFFAOYSA-N 368.437 3.012 0 1 FGAF CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 202254451 ILXUWWKWQXTSKU-HNNXBMFYSA-N 357.351 3.408 0 1 FGAF O=C(NCc1cccc(F)c1)c1ccc2nc(N3CCOCC3)sc2c1 6750963 BTWFJGDDZLUGIS-UHFFFAOYSA-N 371.437 3.202 0 3 FGAF Cc1cc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(N)c12 103241975 BXZFDKZNCLGRDU-UHFFFAOYSA-N 353.447 3.326 0 1 FGAF CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@@H](N)CC3)nc21 100821236 GPINDKALSCBEKJ-CTYIDZIISA-N 369.448 3.411 0 1 FGAF Cc1ccc(/C=C2\CNC[C@@H]3[C@@H](c4ccc(C)cc4)NC(=S)N[C@@H]23)cc1 103231023 YQCQZYAJJOSYON-AMSCELMMSA-N 363.530 3.494 0 1 FGAF O=c1c(O)cccn1CCCCCCCn1cc(-c2ccccc2)nn1 103255687 FAHJUERCKLAQJD-UHFFFAOYSA-N 352.438 3.463 0 1 FGAF NC(=O)c1cn(-c2ccccc2)c2c1CCc1cnc(NC3CCCC3)nc1-2 64503953 BCTKIAROAQVJQI-UHFFFAOYSA-N 373.460 3.486 0 1 FGAF COc1cc(C[C@@H](C)NC(C)C)c(OC)cc1I 26014906 YLUJOPJDPLCTEA-SNVBAGLBSA-N 363.239 3.237 0 1 FGAF CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccco1 28893282 WGDPRUPUJUSAQF-JKSUJKDBSA-N 368.385 3.332 0 1 FGAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1cccc(Br)c1 29125612 ZGUPTESSBVXQOK-UHFFFAOYSA-N 367.202 3.498 0 1 FGAF O=c1[nH]c(N2CC[C@@H](N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 28954677 GMELGVOWUOVYSE-LJQANCHMSA-N 372.472 3.291 0 1 FGAF Cc1cc2c(c(O)c1C=CC(C)C)C(=O)[C@@H](O)[C@H](c1ccc(O)cc1O)O2 2356464633 QKFCFTIQHYXZRG-RTWAWAEBSA-N 370.401 3.458 0 1 FGAF Nc1nc(N)c2cc(N(C=O)Cc3ccc(Cl)c(Cl)c3)ccc2n1 26503940 XJJKVEIGZZNOAT-UHFFFAOYSA-N 362.220 3.264 0 1 FGAF CC=C1CN2CCc3c4n(c5ccc(OC)cc35)[C@H](C(=O)OC)[C@H]1C[C@H]42 2356604771 GFMYHUGIUPTBGC-CVAIRZPRSA-N 352.434 3.243 0 1 FGAF O=C(O)CCCCC=CC[C@H](O)CCC=CC=C[C@H](O)CCCC(=O)O 2356733845 BCZGHMCTSJAJRR-ROUUACIJSA-N 368.470 3.447 0 1 FGAF COCc1cc(/C=C/c2ccccc2OC[C@H](O)CNC(C)(C)C)on1 29250083 LQQIPHAAPZTRFO-OAGJVSPASA-N 360.454 3.119 0 1 FGAF CCCS(=O)(=O)Nc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1 28344936 RQYJXDZTETVBIG-UHFFFAOYSA-N 364.467 3.147 0 1 FGAF O=C(Cc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 3039793 PWYJXDFCYUISPS-UHFFFAOYSA-N 365.481 3.278 0 1 FGAF biogenic Cc1ccccc1C1=N[C@@](C)(CC(=O)N2CCc3ccccc3C2)ON1C 74374603 SVYNRYBIHRXLPJ-JOCHJYFZSA-N 363.461 3.310 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 71756457 CIMMACURCPXICP-BAPODPDHSA-N 354.487 3.475 0 1 FGAF O=C(NCCCNC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12 72116751 IIXCDESQBBXPLF-UHFFFAOYSA-N 352.482 3.241 0 1 FGAF CC(C)CCN1c2nc(Nc3ccc(O)cc3)ncc2N(C)C(=O)[C@H]1C 1911582735 SYAVITDEMCFFQU-CYBMUJFWSA-N 355.442 3.143 0 1 FGAF COc1ccccc1NC(=O)C[C@]1(C)N=C(c2ccccc2C)N(C)O1 74374580 QGZKRJRANOICKH-HXUWFJFHSA-N 353.422 3.372 0 3 FGAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)cc(OC)c1OC 40764240 QMYBWWRRZFIFLV-IBGZPJMESA-N 374.368 3.091 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C)c1F)C2 225939987 ZMCAHKXMGNKFCX-LBPRGKRZSA-N 365.412 3.210 0 1 FGAF CC(C)[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(=O)O 43020972 BWJNOHKLFBLHOO-INIZCTEOSA-N 363.460 3.442 0 1 FGAF COc1cc(C(=O)n2c(C)cc3c(O)c(OC)ccc32)cc(OC)c1OC 40933483 SXABECIIPRALMC-UHFFFAOYSA-N 371.389 3.378 0 1 FGAF NCCn1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21 45320070 MMPIOTKRWORPAQ-UHFFFAOYSA-N 370.261 3.135 0 1 FGAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232530 BQVJQHNUZCLDQI-KGLIPLIRSA-N 366.442 3.429 0 1 FGAF biogenic CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@]34C=C(C)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4 238747845 UFINZJLXAKIFHN-AXAOMFGGSA-N 362.510 3.460 0 1 FGAF Cc1ccc(/C=C2\CNC[C@@H]3[C@@H]2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 261189608 YQCQZYAJJOSYON-RIMRZPJMSA-N 363.530 3.494 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1N1CCOCC1)[C@@H](C2)C3=O 587424805 VLUOHNXACUFTID-LHSJRXKWSA-N 369.392 3.160 0 1 FGAF CN1C=CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587338928 OZGMKYLUJRIKGS-PXNSSMCTSA-N 353.349 3.005 0 1 FGAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587786846 RVRSJNQBXVTMGH-QWRGUYRKSA-N 362.311 3.315 0 1 FGAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586944631 OWZNJYFYTFSZHV-UHFFFAOYSA-N 374.249 3.487 0 1 FGAF O=C(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCc1ccccc1 587782881 ZKWFOXWXOKREAG-UHFFFAOYSA-N 350.353 3.174 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Oc1ccccc12 587841034 LOJWODVIACPALH-VVVCHXIZSA-N 362.198 3.285 0 1 FGAF COc1cc(-c2nc3c(O)nc(O)nc3[nH]2)cc(Cl)c1OCC(C)C 587045837 FWAGCKZAEJNNNR-UHFFFAOYSA-N 364.789 3.128 0 1 FGAF COc1ccc([C@H]2CCN(c3cc(-c4ccccn4)nc4ncnn34)C2)cc1 1772570533 OIIPYHYWRYPTAN-INIZCTEOSA-N 372.432 3.189 0 1 FGAF COc1ccc2c(C(=O)N(C)CC(N)=O)c(Cl)ccc2c1C(F)(F)F 13823603 YNXFERYWIZPNDR-UHFFFAOYSA-N 374.746 3.078 0 1 FGAF CCCCC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 169622149 QJADFBZNTPJMDY-QIQFKOGQSA-N 352.471 3.251 0 1 FGAF Cc1cc(O)c(O)c(=O)cc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 1857576026 GYBAHBZEWJIVDC-UHFFFAOYSA-N 368.410 3.266 0 1 FGAF Oc1nc2ncc(-c3ccncc3)nc2n1Cc1ccc2ncccc2c1 1857599405 TVBMORKQIKCQAS-UHFFFAOYSA-N 354.373 3.190 0 1 FGAF O=C1CC[C@@H]2C[C@H]2N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857647547 JAHXCBDOLRBKOD-UFAGZECESA-N 370.399 3.445 0 1 FGAF O=C(NN1C(=O)CS[C@H]1c1ccc(F)cc1)c1nsc2ccccc12 1857769357 OBQOSCIZARZIMF-KRWDZBQOSA-N 373.434 3.354 0 1 FGAF CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1CC 3820824 TVRXNAHDMVOXOV-UHFFFAOYSA-N 355.419 3.300 0 1 FGAF CCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 4238311 KXTAKLZHRDBUDL-UHFFFAOYSA-N 371.444 3.393 0 1 FGAF CO[C@@H]1c2cc(O)ccc2OC[C@@H]1[C@@H]1COc2ccc(O)cc2[C@@H]1OC 13376912 LYWCCZPPJCEHSB-NFQUHZNNSA-N 358.390 3.190 0 1 FGAF biogenic C[C@@H]1CN(c2ncccc2C(=O)Nc2cccc3c2CCCC3)CCN1 39229721 JNRNLOKSXSAISI-OAHLLOKOSA-N 350.466 3.011 0 1 FGAF CC(C)N1C(=O)COCc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc21 74375012 DYTNGXDWJHRUFZ-UHFFFAOYSA-N 359.447 3.029 0 3 FGAF COc1cc2c(c(OC)c1O)-c1c(OC)c(O)cc3c1[C@@H](CC2)N(C)CC3 14645577 XIAFHEPVPAAURO-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic COc1cc(OC)c(-c2c(OC)cc(OC(C)=O)cc2OC)c(OC)c1 238783930 UXLVIVXHYAGGSQ-UHFFFAOYSA-N 362.378 3.322 0 1 FGAF CO[C@@H]1[C@@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]21 85925185 XAABSYWNTKOZII-JBACZVJFSA-N 350.370 3.144 0 1 FGAF biogenic CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C)cc2Cl)N1 299854623 AEBJQTVLVVLTAF-ZWKOTPCHSA-N 353.853 3.479 0 1 FGAF Cc1ncc(-n2c(O)cc(Cc3ccccc3)c2O)nc1Br 587939688 IOFCZVSILNEXSI-UHFFFAOYSA-N 360.211 3.340 0 1 FGAF Oc1nc(O)c2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150753 SFPKSGLEMFDLAJ-ZDUSSCGKSA-N 351.341 3.105 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587429763 WUWDISRNXNZRSY-MGPUTAFESA-N 350.349 3.249 0 1 FGAF Cc1nccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587768501 DBFLQBSKEGZKSE-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1OC 587926019 GBKKNCWVUQOKHP-UHFFFAOYSA-N 356.378 3.417 0 1 FGAF Cc1nccc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 586953641 PMINWHNWESUDFA-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF CCOC(=O)CC1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587525750 RSICOZFTHWBWHK-UHFFFAOYSA-N 374.433 3.176 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc(OCCF)cc1)NCC2 962934161 VFVHQYCKHBFNOB-OAQYLSRUSA-N 356.441 3.146 0 1 FGAF CC(C)c1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1 1772619466 PCQXLNBWIBQSEG-UHFFFAOYSA-N 363.425 3.180 0 1 FGAF COc1ccc(C(=O)c2cc(O)c3c(c2)Cc2cccc(O)c2C3=O)cc1 13736903 ONBOREVUWXZLHK-UHFFFAOYSA-N 360.365 3.473 0 1 FGAF N=C(CCc1ccccc1)[PH](O)(O)C[C@H](Cc1ccccc1)C(=O)O 169717704 KMXOFAKHUQDJMO-KRWDZBQOSA-N 361.378 3.104 0 1 FGAF Nc1ncc(-c2ccncc2)cc1NCc1ccnc(NC(=O)C2CC2)c1 1857550915 LJSNMQAZPFAYGD-UHFFFAOYSA-N 360.421 3.081 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H](CC(=O)[C@H]4CCC[C@H]43)[C@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@@H]24 2356439641 XWNUAACCLIULKG-KSEKLLGZSA-N 357.494 3.186 0 1 FGAF O=C(c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c(=O)c1=O 101416441 MIPLAAZGYUREIC-UHFFFAOYSA-N 368.392 3.424 0 1 FGAF O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Cn1ccc2ncnc-2c1 100062288 JVLZPWRUQPAZFP-UHFFFAOYSA-N 372.384 3.412 0 1 FGAF O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 101380717 YNIWFAUXDPPAPK-KBPBESRZSA-N 364.854 3.005 0 1 FGAF COc1cc2c(C)[nH]c(=O)c(NC(=O)NC3CCCCC3)c2cc1OC 28108096 QRZDNJRSLSMDCY-UHFFFAOYSA-N 359.426 3.308 0 1 FGAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@H](O)NC2=O 105479801 QVECYZNLDSHKCT-UVUJQTEASA-N 366.461 3.429 0 1 FGAF CC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265364 GDAQLISGJHFZMQ-RDJZCZTQSA-N 373.428 3.246 0 1 FGAF FC(F)(F)c1ccc2c(c1)nc1n2[C@H](CNCc2cccnc2)COC1 2356300865 ZCZXWFXBFLFKAG-CQSZACIVSA-N 362.355 3.311 0 1 FGAF COc1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1O 61852981 ONQCVMVTRRRJOV-GOSISDBHSA-N 350.374 3.113 0 3 FGAF COCc1nc(-n2c(N)nc3ccccc32)nc(NCc2ccccc2)c1C 218990273 NXHCDVKZTYIDIG-UHFFFAOYSA-N 374.448 3.465 0 1 FGAF CCOc1cc(OCC)cc([C@@H](Nc2ccc(C(=N)NO)cc2)C(=O)O)c1 28529335 SYWAYWKJQPKZLA-QGZVFWFLSA-N 373.409 3.026 0 1 FGAF COC(=O)C[C@@]12C[C@@H](O[C@@H]1C=C(C)CCC=C(C)C)[C@@H](OC)CC2=O 2356512063 UQMNIDMLSKXSQI-IXIUHKBRSA-N 350.455 3.374 0 1 FGAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2cnc3ccccc3c2)Oc2ccccc21 2356761403 FACANZVDRLWLGN-FXAWDEMLSA-N 359.429 3.233 0 1 FGAF CN1CCN(c2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)CC1 74386744 UFJIWJKNQBHAOW-UHFFFAOYSA-N 361.371 3.396 0 1 FGAF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@@H](C3)N1C 14417370 CQQPGDXOORCKLX-XFHUWUJUSA-N 352.434 3.213 0 1 FGAF biogenic C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)N1CCCCC1 82083606 ISBCCMKIPCPGCX-ZDUSSCGKSA-N 358.467 3.018 0 1 FGAF COc1cccc([C@@H]2c3[nH]c4ccc(C)cc4c3CCN2C(=O)CCN)c1 45336847 CFHJUORMGKOVCS-JOCHJYFZSA-N 363.461 3.308 0 1 FGAF c1cc(OCCN2CCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 197931470 OBPLYDRBSWFWKI-UHFFFAOYSA-N 374.448 3.490 0 1 FGAF CCc1ccc2c(c1)[C@@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 141219510 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587760883 MQVVCFMGRYNSMD-AGKHESDQSA-N 353.279 3.432 0 1 FGAF COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cn1 587108882 HTTKNLWDZCEDAN-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(C)cc32)N1 587761138 SKYJBUYWPLQHPE-QGHHPUGFSA-N 364.262 3.436 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)ncc3[nH]1)C2 587247331 PHYJTMYQDBTQNL-KRWDZBQOSA-N 373.254 3.072 0 1 FGAF Cc1c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903617 LVMREYRMZBONAK-KRWDZBQOSA-N 366.465 3.253 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C)O2 587396584 UKFRMJGVNOMFFF-MPBGBICISA-N 374.437 3.085 0 1 FGAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 587368588 MOUXWRYSGJNVIK-UHFFFAOYSA-N 366.160 3.037 0 1 FGAF COC(=O)c1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cn1 587565728 JGRWBNIGNRISKZ-UHFFFAOYSA-N 355.394 3.358 0 1 FGAF CCOC(=O)C1CCN(C(C)(C)[C@H]2NCCc3cc(C)c(F)cc32)CC1 962378717 UMJCAVBEIKBPTA-IBGZPJMESA-N 362.489 3.375 0 1 FGAF 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FGAF CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)c2cccnc12 2455794 DLBCNNBOMLILNF-UHFFFAOYSA-N 358.419 3.443 0 1 FGAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 3906633 FKCGRGWZTKKHEU-INIZCTEOSA-N 357.845 3.233 0 1 FGAF Cc1ccccc1NC(=O)NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 4981875 JPDBRIKMMFFDTM-MRXNPFEDSA-N 359.470 3.115 0 3 FGAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C1=C1OC(=O)C(C)=C1[C@H]2OC(=O)C(C)C 2356417787 LTPAHBQBRCYXSN-IKNMYQNUSA-N 362.422 3.063 0 1 FGAF COc1ccc(C(=O)N2CC[C@@H]3COC(=O)N3c3ccccc3C2)cc1 2356446587 AIPLTVWPNQSSOS-MRXNPFEDSA-N 352.390 3.067 0 1 FGAF COc1cc2[nH]c(=S)n(-c3cccnc3)c(=O)c2cc1-c1cnco1 28340530 UOKUVPKDXLNWDQ-UHFFFAOYSA-N 352.375 3.107 0 1 FGAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@H]12 28523076 SEVLWERLWNROPL-RBUKOAKNSA-N 369.534 3.206 0 1 FGAF Cc1cccc(Nc2ccccc2C(=O)N[C@H](CCC(=O)O)C(=O)O)c1C 2356826892 HLEKOHRJHVCEKY-QGZVFWFLSA-N 370.405 3.095 0 1 FGAF CS(=O)(=O)c1ccc(-c2nccc3[nH]nc(-c4cccnc4)c23)cc1 74388335 DSLOPVPNSVXROZ-UHFFFAOYSA-N 350.403 3.090 0 1 FGAF 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C[C@]12C[C@H](C(=O)O)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 238734079 LDWIWYPUKHSEMK-UWFGMTKGSA-N 350.499 3.452 0 1 FGAF CC(C)(CN)COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12 96174992 NIPDJBAMYWKEHF-UHFFFAOYSA-N 365.412 3.447 0 1 FGAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@H](c2cccs2)C1 299861241 HYWWOHDARSMDFC-LBPRGKRZSA-N 369.402 3.093 0 1 FGAF CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)c(O)c2cccnc21 299866716 WKAOYQFYMRWACM-UHFFFAOYSA-N 357.454 3.211 0 1 FGAF COCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587585934 IQWYABQCHATVDS-YLJYHZDGSA-N 364.357 3.032 0 1 FGAF O=S(=O)(NC1CC1)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876642 VCGQVPIDVHLRQK-UHFFFAOYSA-N 371.393 3.225 0 1 FGAF CS(=O)(=O)c1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874891 FCZVWXLYRFITKJ-UHFFFAOYSA-N 358.350 2.887 0 1 FGAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@@H](C)C(=O)O 587401167 QQDPPYBAYCSTNG-APPDUMDISA-N 371.389 3.144 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cccnc2n1 587588237 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353.203 3.371 0 1 FGAF O=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCN1CCCC1 13779230 XECMJAXOJJUDRA-UHFFFAOYSA-N 352.459 3.390 0 1 FGAF CC1(C)Cc2cc(CNC(=O)[C@H]3CCN(c4ccccc4)C3=O)ccc2O1 14964721 LAWDJJHCNMOVTH-GOSISDBHSA-N 364.445 3.069 0 1 FGAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2cccc(F)c2F)nn1 203462606 RFHYQFOFNWPZCI-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF CC(C)CCNC(=O)[C@H](CC(C)C)NC=C1C(=O)N(C)c2ccccc21 1857622552 HYPZLFRKPAWRAY-SFHVURJKSA-N 357.498 3.171 0 1 FGAF CCc1ccc2c(=O)n(C)cc(-c3cccc(NS(C)(=O)=O)c3)c2c1 1857756971 ZKPRCKAGIJBJRZ-UHFFFAOYSA-N 356.447 3.139 0 1 FGAF COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1 3814856 KEPKKUKRTDFXHZ-UHFFFAOYSA-N 359.817 3.077 0 1 FGAF CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(=O)O)c(O)c1 103299763 JKUMUJVMZAUXGF-UHFFFAOYSA-N 360.362 3.454 0 1 FGAF CN(C(=O)Cc1ccccc1)[C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1 64539951 PGJPPWQHDNODBR-JAXLGGSGSA-N 356.510 3.254 0 1 FGAF O=C(c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26013277 WXRJLXCQSPSTBY-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF COc1cc(NC(=O)[C@@]2(C)CCCN(C(C)C)C2)cc(OC)c1OC 61904421 JGFKBWRWHJEBQU-IBGZPJMESA-N 350.459 3.161 0 3 FGAF CC=C1[C@H]2CCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13 2356677485 QZOWXKDNCYWNHV-UFOSLMCYSA-N 368.477 3.208 0 1 FGAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C1 2356721333 AXKLAIMNMYFDSU-TUNYKZDZSA-N 359.510 3.406 0 1 FGAF CC(C)(C)CCNCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 73280929 LWSMSGNPFILPIN-UHFFFAOYSA-N 351.922 3.124 0 1 FGAF CCNc1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)ccc3c12 35280326 UKPPGFGGYZRPPL-UHFFFAOYSA-N 352.419 3.436 0 1 FGAF CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1F 74374683 VSEMTNPAROTMMP-OAQYLSRUSA-N 367.424 3.141 0 3 FGAF C=CCCCCCCCCCC[C@@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 13910505 ALOMKPFWZVIIET-KBXCAEBGSA-N 358.431 3.065 0 1 FGAF biogenic O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cncs1 1911584335 HLSOIBAPPHACIC-LBPRGKRZSA-N 370.261 3.262 0 1 FGAF COc1cc(O)c2c(c1OC)O[C@@H](c1c(OC)cccc1OC)CC2=O 14643498 ZDPBOEQHLBWNIV-CQSZACIVSA-N 360.362 3.133 0 1 FGAF biogenic CC1(C)O[C@@H]2Oc3ccc4c(=O)cc(-c5ccccc5)oc4c3[C@@H]2[C@@H]1O 14695512 XBKLVCYSINXGAW-HOJAQTOUSA-N 350.370 3.432 0 1 FGAF biogenic NCCCC(=O)N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 49069264 CQYBSHWVZIXIKN-SFHVURJKSA-N 363.465 3.103 0 1 FGAF COC(C)(C)[C@H](Cc1c(O)ccc2ccc(=O)oc12)OC(=O)C=C(C)C 149603078 GLFCKLORDGQKFF-INIZCTEOSA-N 360.406 3.344 0 1 FGAF COc1ccc([C@@H](NC(=O)c2scc3c2CCCC3)C2CC(O)C2)cn1 230569996 PXZDTURQTRGVCY-JTTJXQCZSA-N 372.490 3.273 0 1 FGAF CC(C)C[C@@H]1C(=O)N([C@H](CC(C)C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 473197808 FZBQZAKEZMXGDP-BBWFWOEESA-N 361.438 3.006 0 1 FGAF COc1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@H]32)cc1 299843048 LJKSWEYTEMRUIK-NJDAHSKKSA-N 354.450 3.039 0 1 FGAF C[C@@H](CC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 299816050 PGWOBVRIBXLYFJ-LOUJCGABSA-N 357.592 3.472 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cn1 587247805 UJWWTRNZEGZNGM-HNNXBMFYSA-N 352.398 3.333 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586938410 VKMKAFUIANXOMB-JTQLQIEISA-N 364.858 3.355 0 1 FGAF Cc1cnc(N)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587747844 SMCGOODBFJQBFK-RFAUZJTJSA-N 350.235 3.497 0 1 FGAF CC(C)(C)OC(=O)N1CC(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587876263 QBTMTVJHTFGYII-UHFFFAOYSA-N 359.357 3.302 0 1 FGAF COc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1C 587194188 OADIUWMVSDDJBT-CYBMUJFWSA-N 362.474 3.397 0 1 FGAF COc1ccc2c3c(c(=O)n(C)c2c1OC[C@@H]1OC1(C)C)C=CC(C)(C)O3 15216902 DBQANPCISZDWBV-HNNXBMFYSA-N 371.433 3.288 0 1 FGAF biogenic Cc1nc2cc(-n3ncc(C(=O)c4[nH]c5ccccc5c4F)c3N)ccc2[nH]1 150172852 XMEUXGVNDCEFRR-UHFFFAOYSA-N 374.379 3.491 0 1 FGAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1857551226 KQARQZVXVMKIER-UHFFFAOYSA-N 356.919 3.225 0 1 FGAF C[C@H]1CN(c2ncc(-c3ccc(Cl)c(Cl)c3)c(=N)[nH]2)C[C@@H](C)N1 1857559259 MZGDRSYGPVIECI-AOOOYVTPSA-N 352.269 3.050 0 1 FGAF COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccccc13)N(C=O)CC2 1857565752 KJLYODHJNMBXRK-IBGZPJMESA-N 350.418 3.483 0 1 FGAF COc1ccc(-c2ccc(Sc3cc(=O)n(O)c(O)n3)cc2)cc1OC 1857767283 VFQDFESUBBNARZ-UHFFFAOYSA-N 372.402 3.022 0 1 FGAF CC[C@]12CCCN3CC[C@]4(c5ccc(O)c(OC)c5N(C(C)=O)[C@H]4CC1)[C@H]32 2356417276 WSZCASZURIXQMW-KVJIRVJXSA-N 370.493 3.432 0 1 FGAF CCc1ccccc1NC(=O)CCN1CCN2Cc3ccccc3C[C@H]2C1 58500213 NSYBMTDJKDYICG-NRFANRHFSA-N 363.505 3.320 0 1 FGAF C[C@@H](CC1=N[C@@H]2[C@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330040 JPHHGFNKNXDZSD-RVBZMBCESA-N 358.751 3.205 0 1 FGAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCOCC2)N1C1CCCCC1 27082293 OSARWLHRWKQLCT-LJQANCHMSA-N 371.481 3.259 0 1 FGAF CC1(C)c2cc(OC[C@H](O)CO)ccc2C(=O)c2c1oc1ccccc21 114803497 GVUGUXIUPIOVFC-GFCCVEGCSA-N 352.386 3.035 0 1 FGAF O=C1Nc2c(C(F)(F)F)cccc2[C@@]1(c1ccc(O)cc1)n1ccnc1 64540596 CYHFULDVISFKNH-QGZVFWFLSA-N 359.307 3.352 0 1 FGAF Cc1cn(C)c2cccc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)c12 72176816 LQNSZXFCWJXNPL-UHFFFAOYSA-N 363.417 3.126 0 1 FGAF O=C1NC(=O)C(CCCCCC[C@H](F)CF)(Cc2ccccc2)C(=O)N1 1911585874 WQCYWYOJQMZTMB-HNNXBMFYSA-N 366.408 3.230 0 1 FGAF CC[C@@H]1CCCN(CCc2c([C@@H](CO)C(=O)OC)[nH]c3ccccc23)C1 14693907 PPSLHYQFNASMFW-CRAIPNDOSA-N 358.482 3.081 0 1 FGAF biogenic COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnc2ccccc12 45196341 NDNAGLVRQAPTRG-KRWDZBQOSA-N 361.445 3.248 0 1 FGAF CCOC(=O)N1CCC(Nc2cc(-c3ccc(F)cc3F)ncn2)CC1 82160235 GPCBXJAKOSMBKN-UHFFFAOYSA-N 362.380 3.455 0 1 FGAF Cc1cc(N)nc(COC[C@@H]2CC[C@@H](OCc3cc(C)cc(N)n3)C2)c1 261171641 TVHVDJSLQYCZGY-CRAIPNDOSA-N 356.470 3.160 0 1 FGAF C[C@@H](CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)[Si](C)(C)C 299816049 PGWOBVRIBXLYFJ-CFAJVAMVSA-N 357.592 3.472 0 1 FGAF COC(=O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 587158456 YQEPKRYZCYGAML-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 587148572 IUCABOQLHCPLGF-UHFFFAOYSA-N 366.331 3.491 0 1 FGAF COc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cn1 587167474 NRLAOPPKQHVIJD-OAHLLOKOSA-N 355.373 3.475 0 1 FGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(F)cc2[nH]1 587181928 IGQGCGDWYOXYQX-QMMMGPOBSA-N 370.169 3.421 0 1 FGAF FC(F)(F)c1c(Br)ccc2nc(CC3OCCO3)[nH]c12 586907146 FDKIDGUUXWQHSU-UHFFFAOYSA-N 351.122 3.260 0 1 FGAF Fc1cnc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966662 ISSNNNDWSWRBIY-UHFFFAOYSA-N 362.777 3.488 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)c(O)nc1C)CC2=O 587488576 PWKRLBUIKQQIBC-FQEVSTJZSA-N 371.389 3.333 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@]1(C)CCS(=O)(=O)C1 587864127 LPUAAMKUAHVHEI-HNNXBMFYSA-N 374.384 3.111 0 1 FGAF CCOC(=O)C[C@@]1(c2cccc(O)c2)CC(=O)c2cc(C)cc(N)c2O1 587401702 WRCZQSOIDDALDZ-HXUWFJFHSA-N 355.390 3.097 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2)N1 587828340 OTMYEGZDPIANTH-QGHHPUGFSA-N 364.214 3.451 0 1 FGAF Cc1nc(Cl)c(Cl)n1C[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962915398 HWFTYJYBZNAFCX-MRXNPFEDSA-N 356.301 3.416 0 1 FGAF COc1ccc(OC)c([C@]2(CCCC(=O)O)NCCc3c(C)ccnc32)c1 963074814 YHEHXQFLDKFMOY-NRFANRHFSA-N 370.449 3.051 0 1 FGAF COCCc1nc2ccc(C(=O)NCc3nc4c(s3)CCCC4)cc2o1 12588151 NFLKJJMTUIHLFR-UHFFFAOYSA-N 371.462 3.282 0 1 FGAF CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(=O)[nH]c21 14943458 QOSHBJOPHDZCQP-UHFFFAOYSA-N 362.389 3.073 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=N[C@H]3CCCC[C@H]3NC(=O)C2)cc1 169713867 GNUCRCVOUVVVDU-ZWKOTPCHSA-N 373.460 3.349 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](COC)c3ccc(F)cc3)ncc12 209402954 NMDGJFLWOMIKIT-HNNXBMFYSA-N 373.388 3.005 0 1 FGAF COc1cc2c(C(=O)N3CCCC3)c(C)n(C)c2cc1Br 2485537 USPPZWDLRAVSRY-UHFFFAOYSA-N 351.244 3.494 0 1 FGAF CCNc1cc(OC)c(C(=O)N[C@@H]2CCCCN(CC)C2)cc1Cl 27719525 NXJMOFREJPLYOW-CYBMUJFWSA-N 353.894 3.385 0 1 FGAF CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@H]1c1ccccc1OCCC 103633935 AEJPPHOEENFKNC-SCDSTIRESA-N 357.414 3.354 0 1 FGAF Nc1nc(SCCO)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 103229065 WAMXFJYWIXSXFZ-UHFFFAOYSA-N 374.853 3.042 0 1 FGAF CC(C)C[C@@H]1NC(=O)C([S@](=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603583 FUMNTRIFOZAICJ-MCFWBGNESA-N 361.385 3.268 0 1 FGAF CN1C(=O)[C@H](C(=O)NC(C)(C)C)[C@@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 104203838 YFNAOPLKGVKGOK-YHXHNGJMSA-N 356.466 3.052 0 1 FGAF O=c1[nH][nH]c2nc(CNCc3ccc(Cl)c(Cl)c3)nc3cccc1c32 59298646 ZFWYGAQSNSBQHQ-UHFFFAOYSA-N 374.231 3.396 0 1 FGAF CCCCNC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)O)cc1 27207327 DGKRQDSBDPBIGN-KRWDZBQOSA-N 362.426 3.248 0 1 FGAF O=C(c1ccc(Cl)cc1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26162649 CWOZOZHJFRWAFJ-SFHVURJKSA-N 354.837 3.312 0 1 FGAF FC(F)(F)c1ccc(-c2n[nH]c3c2CN(C[C@@H]2CCOC2)CC3)cc1 20212518 FYNSDBCUWIHXOG-LBPRGKRZSA-N 351.372 3.490 0 1 FGAF CCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27094255 MDWHLRMTUWPUOP-NRFANRHFSA-N 369.896 3.477 0 1 FGAF COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CC[C@H](NC(C)=O)C2)c1 214242813 FUMJKSZLZJFCAQ-HOCLYGCPSA-N 371.412 3.140 0 1 FGAF CC(C)c1csc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)n1 36385785 GXYGMYVYRCYUNI-LJQANCHMSA-N 373.566 3.378 0 3 FGAF COc1cc(C(=O)NCc2ccc(F)c(OC)c2F)ccc1-c1cn[nH]c1 213996631 SVEDSLIXPDIZCB-UHFFFAOYSA-N 373.359 3.302 0 1 FGAF CN1O[C@](C)(CC(=O)NCc2ccccc2)N=C1c1cccc(Cl)c1 74374171 ACVKQBJNXJFNAN-LJQANCHMSA-N 357.841 3.386 0 3 FGAF COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2CO)cc1 49035048 IPXWZYMNCUNLJQ-XCPYJBIRSA-N 356.418 3.476 0 1 FGAF CC(C)n1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82224131 JIKFGOBZHZUMDY-HZPDHXFCSA-N 360.502 3.492 0 1 FGAF COc1cc2c(cc1O)-c1ccc(O)cc1OC[C@]1(COC(C)(C)O1)C2 147098723 OVTKGWBQPMFNER-FQEVSTJZSA-N 358.390 3.230 0 1 FGAF CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl 95894429 FPDNDFIICFJGNT-RCCFBDPRSA-N 357.841 3.151 0 1 FGAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CC1CC1 95871666 KVICOISTVWYLDM-MQSCRBSSSA-N 368.521 3.319 0 1 FGAF COC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1 96286479 HXZBDPJYJRNMES-UHFFFAOYSA-N 361.401 3.246 0 1 FGAF O=C(NCc1ccccc1Cn1cccc1C(=O)O)NC1CCCCC1 95579142 JPICYFKFRQAWQC-UHFFFAOYSA-N 355.438 3.367 0 1 FGAF Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1N 587661319 WWUNXLHSHKTNTJ-UHFFFAOYSA-N 374.375 3.056 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586964129 VPUUGTXTSDQYKG-JSGCOSHPSA-N 358.427 3.334 0 1 FGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763309 JETVMDVCZCUGTJ-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF Cc1ccc2c3c(cc(-c4cnc(O)n(C)c4=O)nc13)-c1ccccc1C2=O 587095777 ANMBRZXFCVOMCY-UHFFFAOYSA-N 369.380 3.221 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cn2)N1 587770310 IOPHVOAYHSRBHC-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF COc1ccc(OC)c(-c2nc3cncc(Br)c3[nH]2)c1OC 587792534 IVLOFZURAGKPGU-UHFFFAOYSA-N 364.199 3.413 0 1 FGAF Cc1cnc(-n2cccc2[C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963025334 JUBQTYUTGIXBCA-BFUOFWGJSA-N 364.474 3.385 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2ccccc2C(=O)O)COC1(C)C 219716093 QVCBOTYSTSGALS-GFCCVEGCSA-N 351.399 3.136 0 1 FGAF biogenic O=C(N[C@H]1CCc2cccc(Br)c21)[C@H]1COc2ncccc21 1772653225 NZCFDDMETPJUAL-JSGCOSHPSA-N 359.223 3.124 0 1 FGAF Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1 13473015 DODVNPBCMKADSZ-UHFFFAOYSA-N 352.412 3.473 0 1 FGAF O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1 13494024 QHNMEYRLLYBYGG-UHFFFAOYSA-N 369.446 3.373 0 1 FGAF CCOc1cc(OCC)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953226 UXQFXLBBPPHNHB-QGZVFWFLSA-N 357.410 3.006 0 1 FGAF COc1cc(C2=NN(C(C)=O)[C@@H](c3cccc(F)c3)O2)cc(OC)c1OC 15861226 IYRFQJXITMUVHX-LJQANCHMSA-N 374.368 3.091 0 1 FGAF Cc1cc(C)cc(Nc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1 1857542837 CIBHWLGHOAYWGR-UHFFFAOYSA-N 363.469 3.328 0 1 FGAF C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O 3977832 QZIGLSSUDXBTLJ-RZFLPCETSA-N 352.452 3.085 0 3 FGAF in-vitro CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCC(C)(C)CO 4273890 LPXBRSVJBNUEOQ-DLBZAZTESA-N 350.459 3.428 0 1 FGAF CCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 26844999 MZHXPJDFXXRWAH-SFHVURJKSA-N 356.532 3.384 0 1 FGAF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 28330573 BQAKKMGVXSYPCI-YGRLFVJLSA-N 373.284 3.348 0 1 FGAF CC[C@H]1C[C@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356449767 XDALHBQULYHYQJ-MZUOZXTGSA-N 368.477 3.264 0 1 FGAF COc1ccccc1C(=O)Nc1scnc1C(=O)Nc1nccs1 28116571 BXRJAOCPBHLBND-UHFFFAOYSA-N 360.420 3.113 0 1 FGAF CN(C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2)C1 60325487 DXPHMVPLORWBKA-HNNXBMFYSA-N 354.475 3.297 0 1 FGAF C[C@@H]1[C@H](O[C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)OC(=O)[C@H]2[C@H](C)CC[C@@H]21 2356698698 KLFPATKRXRCHCY-STTKEMQZSA-N 350.455 3.366 0 1 FGAF O=C(C1CCCCC1)N1CC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C1 73220012 LGHVEXQZVBLBAA-GOSISDBHSA-N 351.450 3.016 0 1 FGAF c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5ccccn5)C[C@@H]4C3)nn2)cc1 45337445 LZVUOULKJVYQGO-KDURUIRLSA-N 357.461 3.107 0 1 FGAF Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)n[nH]1 40901150 ZYWAUCIAPLYMIZ-UHFFFAOYSA-N 359.389 3.055 0 1 FGAF O=C(c1ccccc1Cn1cnc2ccccc21)N1CC[C@@H](N2CCCC2)C1 45367299 AQFLIGYSWVGMOU-LJQANCHMSA-N 374.488 3.395 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CO)[C@@H](C1)[C@H](O)C[C@@H]23 238775255 LMHAUQDUAZPPMU-ULZWWYCSSA-N 350.499 3.152 0 1 FGAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1ccc(F)cc1 95794269 PCERMERGZHURDO-FGZHOGPDSA-N 366.480 3.250 0 1 FGAF C[C@@]1(O)C(=O)O[C@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 257500358 OCPGSVYCKLXPSO-JYXBJREKSA-N 362.510 3.293 0 1 FGAF endogenous,in-man CC(C)c1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 263590407 ZENKTQUATHGPRH-OALUTQOASA-N 370.474 3.234 0 3 FGAF COc1cc2nncc(N3C[C@H](c4ccccc4)C[C@@H](O)C3)c2cc1OC 474610028 ZGKBJLWRRKIBCP-HZPDHXFCSA-N 365.433 3.002 0 1 FGAF CCOC(=O)C[C@]1([C@H]2CCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534547 FDNHWGSDDPDIJG-BTYIYWSLSA-N 358.434 3.259 0 1 FGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(C)cc2[nH]1)C(C)C 586933454 SCLGDAGMPRWCJB-INIZCTEOSA-N 353.488 3.297 0 1 FGAF COc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Cl)c1O 587046590 XKKDUWACSWIXTF-UHFFFAOYSA-N 373.840 3.430 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccnn1CC)CC2=O 587475437 LVWNKDJHEWEKFR-KONDSOJQSA-N 369.465 3.497 0 1 FGAF NC1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587575705 KMDDBBNNAAPLGU-UGKGYDQZSA-N 373.364 3.442 0 1 FGAF CC(=O)N[C@H](Cc1nc2c(C)ccnc2[nH]1)c1ccc(Br)cc1 586985826 SJEONGAWYWOOQA-CQSZACIVSA-N 373.254 3.449 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1 586942015 ZMAYJDUYTUNYNW-VOTSOKGWSA-N 362.842 3.010 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2N)N1 587743610 DWCZRWWNGKMOHE-FVMDXXJSSA-N 350.235 3.363 0 1 FGAF C[C@H](Sc1ncccn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586964208 YPFXVRWNNVAHLK-ZDUSSCGKSA-N 355.467 3.038 0 1 FGAF COc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 587168098 SFVWRIHPKHDGFH-AWEZNQCLSA-N 355.373 3.475 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]1NC(=O)OCc1ccccc1)O2 587388608 FFWWRVXXRYKBHS-GHTZIAJQSA-N 366.417 3.370 0 1 FGAF CCOc1cc(-n2c(OC)cc(C(C)=O)c2OC)c(Cl)cc1C(=O)O 587941141 MUVFBNUXCASGCB-UHFFFAOYSA-N 367.785 3.447 0 1 FGAF CCOC(=O)c1cnc(Cl)cc1-n1ncc2ccc(Cl)cc2c1=O 587652051 VADIVUWPLUZBSP-UHFFFAOYSA-N 364.188 3.264 0 1 FGAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963100638 CFLHWTCBAPBTJF-QYWGDWMGSA-N 359.441 3.364 0 1 FGAF OC(O)[C@@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1ccco1 962708517 IXSQNEZHEGYREB-LJQANCHMSA-N 359.422 3.093 0 1 FGAF COc1ccc(CCNc2nc3cc(Cl)c(F)cc3c(=O)n2C)cc1 1772603053 SGRSTKXCQJYCHS-UHFFFAOYSA-N 361.804 3.389 0 1 FGAF Cc1ccc(OCc2cc(C(=O)N[C@H](C)Cc3cnccn3)no2)cc1C 12754520 BYRUEZFSBAWXRV-OAHLLOKOSA-N 366.421 3.021 0 3 FGAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccc(O)cc1-3 14775344 ILKYEDYPZACASH-OAHLLOKOSA-N 355.390 3.298 0 1 FGAF endogenous,in-man CC(=N)[C@H](C#N)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 18006665 RRPKWECAZJVQRV-KRWDZBQOSA-N 355.369 3.139 0 1 FGAF O=C(c1cccc(O)c1)c1ccc(S(=O)(=O)c2cccc(O)c2)s1 169325731 OHKBLZISDQSAFR-UHFFFAOYSA-N 360.412 3.223 0 1 FGAF CNC(=O)[C@H](CCCCCCC(=O)Nc1cnc2ccccc2c1)N=O 169724766 BKZCDTWYVBUYRW-KRWDZBQOSA-N 356.426 3.395 0 1 FGAF O=C(NCCc1ccccc1)OCc1cn(Cc2cccc(F)c2F)nn1 203462726 UEVUIVAUNGKFTQ-UHFFFAOYSA-N 372.375 3.074 0 3 FGAF CN(Cc1cc2nc(C(N)=O)cc(-c3ccc(F)cc3)c2s1)C1COC1 1857558472 ILEJAYXRKRCSSL-UHFFFAOYSA-N 371.437 3.032 0 1 FGAF C[C@@H]1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1 1857619701 WNIUQTDQTFIYCM-CQSZACIVSA-N 373.888 3.148 0 1 FGAF CC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cn1 4910516 CGGLPERKMPJDCH-UHFFFAOYSA-N 356.470 3.021 0 3 FGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)[C@H](C)N2 6403203 BLXWXLHNURPYOD-JTQLQIEISA-N 355.398 3.176 0 1 FGAF COc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1 22939527 HANNICWFQHRKPX-UHFFFAOYSA-N 359.901 3.260 0 1 FGAF Nc1nc2nc(SCc3ccccc3)nc(SCCO)c2s1 28568853 WHMZJKJNHVZSNN-UHFFFAOYSA-N 350.494 3.045 0 1 FGAF CCCCCC=CC[C@H](O)[C@@H](O)C=C[C@@H](O)CC=CCCCC(=O)O 2356564655 WPLPEZUSILBTGP-FHWLQOOXSA-N 354.487 3.353 0 1 FGAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61898458 KQLACCSMBNPHSZ-INIZCTEOSA-N 359.344 3.391 0 3 FGAF CC(C)C[C@H]1NC(=O)c2ccccc2-n2c1nc1ccc(F)cc1c2=O 36389164 UBZJPFUDGRXJJP-MRXNPFEDSA-N 351.381 3.355 0 3 FGAF O=C(Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1)[C@H]1CCCN1 2114876 BCDZFRFUONYLNC-MRXNPFEDSA-N 351.358 3.243 0 1 FGAF biogenic Cc1ccccc1-c1nc(CN2CCN(C(=O)c3ccco3)CC2)co1 72181279 HSZUGJYPZZQYGF-UHFFFAOYSA-N 351.406 3.201 0 1 FGAF COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)[C@@H](O)C[C@@]53C)CC[C@@H]41 197364602 YULGNBRYMYBJBM-MOTYYOHFSA-N 373.537 3.297 0 1 FGAF O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2cc(F)ccc12 49034843 LXGVLIKOOQJCKX-CQSZACIVSA-N 362.401 3.287 0 1 FGAF NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3cccc(F)c3)[nH]c12 136904465 KCXSHSRRSKFOQP-AWEZNQCLSA-N 352.413 3.237 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@H](C2)N(C)CC[C@@]341 194956538 RWBGTUPTUTZUOU-NGAGVGIASA-N 369.505 3.452 0 1 FGAF O=c1cc(O)n(CCc2ccc(Cl)c(Cl)c2)c(=O)n1C1CCCC1 96270108 XPUZKAZHCMGEPT-UHFFFAOYSA-N 369.248 3.380 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3c3ccccc3)c2s1 141209057 IAEPLCQQQMHCHK-LXZKKBNFSA-N 370.474 3.255 0 1 FGAF CCc1ccc(-c2ccc3c(c2)-c2c(cnn2C)S(=O)(=O)N3C)cc1 95586966 ASUBFYXRDNJNOB-UHFFFAOYSA-N 353.447 3.455 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnnn1-c1ccccc1 587873461 ZVFIFIPBIREWOT-UHFFFAOYSA-N 350.357 3.053 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2N)N1 587748413 WYWNHTSWWYORBF-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cn1)O2 587378423 CBUUYDDPXGECKS-GOSISDBHSA-N 359.813 3.378 0 1 FGAF COC(=O)C[C@@]1(Cc2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587386975 YJBJDVCOWXQBTC-HXUWFJFHSA-N 357.381 3.226 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ncccn2)N1 587773388 IEIZBWZSVSLSTA-QFYYESIMSA-N 350.235 3.370 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H]1CCCO1)CC2=O 587486346 KMFDAUUUSLYSBG-YLJYHZDGSA-N 362.422 3.181 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CCC(=O)[C@H]3C)nc2c1 587963364 NFPZOOXEPOTCTN-IUCAKERBSA-N 365.227 3.270 0 1 FGAF CC(C)c1nn(C)c2c1[C@](c1ccc(C(=O)O)cc1)(C(F)(F)F)NCC2 962915163 GHXHMNMZRHOVHE-QGZVFWFLSA-N 367.371 3.193 0 1 FGAF COc1cccc(Cn2cc(-c3ccc(OC)c(OC)c3OC)nn2)c1 1772652683 JQURXAXRNSHKQP-UHFFFAOYSA-N 355.394 3.028 0 1 FGAF Cc1ccc2c(Cn3cc(-c4nc5ccccc5n4C)nn3)cc(=O)oc2c1 1772651575 QCHANZZJRZXVQO-UHFFFAOYSA-N 371.400 3.295 0 1 FGAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)C1=O 169720224 JVOIFHQOWOVREC-ODXCJYRJSA-N 353.443 3.232 0 1 FGAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccno1 164786469 HMEZQFPDQYZHQT-UHFFFAOYSA-N 371.360 3.255 0 1 FGAF O=C(OCCc1ccccc1)c1nc2c(OC3CCNCC3)cccc2o1 1857536303 CRDIHWVAOUGRBD-UHFFFAOYSA-N 366.417 3.358 0 1 FGAF Cc1ccc(CNc2nc(NC(=O)c3ccccc3)[nH]c3ncnc2-3)cc1 1857567262 ITHXREZVEVBHPQ-UHFFFAOYSA-N 358.405 3.477 0 1 FGAF C[C@H](Sc1nc(NC(C)(C)C)nc(N(C)C)n1)C(=O)Nc1ccccc1 804845 HHJJQRAMDHOLAO-LBPRGKRZSA-N 374.514 3.267 0 3 FGAF Cc1ccc(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1C 2472598 RIWZECQDJDSSJE-UHFFFAOYSA-N 357.273 3.425 0 3 FGAF O=C(NC1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 7848802 WOXFZHLASYTQCE-UHFFFAOYSA-N 369.428 3.434 0 1 FGAF CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC 8763001 OUPKSZCDBCMSOB-UHFFFAOYSA-N 367.405 3.114 0 3 FGAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305795 HFANEMFLQXMQET-HUUCEWRRSA-N 371.481 3.399 0 1 FGAF CC[C@@H](C)[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 29466039 UGPOMYIOAGJKAA-JCRSLLNCSA-N 355.478 3.206 0 1 FGAF Nc1nc(Nc2ccc(C(=O)O)cc2)nc(OCC2CCCCC2)c1C=O 103191898 FHEISJNRNNEUBR-UHFFFAOYSA-N 370.409 3.272 0 1 FGAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cnc(C)nc4)c3C2)nc1 114996104 XNAFMMCWOUXFDU-CQSZACIVSA-N 361.453 3.014 0 1 FGAF COc1ccc(O[C@@H]2COCCN(Cc3c[nH]c4ccccc34)C2)cc1 2356579241 VOMVVSQPDWIECJ-IBGZPJMESA-N 352.434 3.456 0 1 FGAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)[C@@H](C)CN1 28004542 IOQZWNCABFVBOY-BXFVGNANSA-N 362.558 3.453 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2OC(C)=O 2356735942 RIAASXVFZZPXSS-QQBSGRKZSA-N 354.450 3.185 0 1 FGAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@H]21 4260696 MKSZKPPEUSZZDQ-MSOLQXFVSA-N 371.481 3.272 0 1 FGAF biogenic COc1ccc(-c2[nH]c3cc(C(=O)O)nn3c(=O)c2C2CCCCC2)cc1 38543916 BYRMARCZVAPOFH-UHFFFAOYSA-N 367.405 3.444 0 1 FGAF CN(C)[C@H]1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1 36423598 CWBIPQBBUVOYGP-INIZCTEOSA-N 354.475 3.297 0 1 FGAF COc1ccc(NC(=O)CCSc2nnc(-c3cccnc3)o2)cc1 77554921 LGGGCDXUNWSBEY-UHFFFAOYSA-N 356.407 3.261 0 1 FGAF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82133924 OIJRHFPZSIFZRP-IYBDPMFKSA-N 368.481 3.002 0 1 FGAF COc1ccccc1-c1ccc2nc(NC(=O)NCCCO)sc2c1 95603608 GVRAUEHOCQAFTM-UHFFFAOYSA-N 357.435 3.476 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587236376 VPBCBDAXXNCQLF-PHDIDXHHSA-N 362.149 3.194 0 1 FGAF CC(C)COc1cc2nc(/C=C\S(C)(=O)=O)[nH]c2cc1Br 586923464 MBJDHIKLHPPNAS-PLNGDYQASA-N 373.272 3.376 0 1 FGAF CS(=O)(=O)Nc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586950615 KEMYYTBPJAURGI-UHFFFAOYSA-N 357.222 3.303 0 1 FGAF Fc1cccc(Cn2nnc(-c3nc4nc(Cl)c[nH]c-4n3)c2Cl)c1 587161780 QYRFHWNVJQWSKU-UHFFFAOYSA-N 364.171 3.057 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ncccn1)[C@@H](C2)C3=O 587427614 JDBHAHYDSOOJCL-KKSFZXQISA-N 362.360 3.316 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587806000 IHLHPXOFRPTRQH-LSYCYVAJSA-N 356.235 3.291 0 1 FGAF Oc1cccc2c1OCC(c1nc3c(Br)ncc(F)c3[nH]1)=C2 586909414 YNEVQXPSPBXGCM-UHFFFAOYSA-N 362.158 3.498 0 1 FGAF CC[C@H](c1nc2cccnc2[nH]1)n1cc(I)c(C)n1 587184244 GTIOOFOOJZKEEM-LLVKDONJSA-N 367.194 3.067 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3c(C)cccc31)O2 587406749 DVCHQFSQFMSHDT-FQEVSTJZSA-N 351.358 3.107 0 1 FGAF O=C(Cc1sc(Nc2ccccc2)nc1O)Nc1cccc(C(=O)O)c1 958045384 AXTRKLKGXJGMIK-UHFFFAOYSA-N 369.402 3.472 0 1 FGAF COc1cc2c(cc1OC)[C@@](C)(Cn1nnc3ccccc31)N(C)[C@@H](C)C2 962632041 OKAQTDUZPBAJMO-LHSJRXKWSA-N 366.465 3.240 0 1 FGAF COCCN1CCC[C@@]2(CCN(Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 14955308 AMDOOLSFTWFMDV-JOCHJYFZSA-N 371.525 3.419 0 1 FGAF C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCCC3)CC(=O)N12 15953431 LYEDWDLSOJPGCM-SCLBCKFNSA-N 351.450 3.157 0 1 FGAF biogenic CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccncc1)CCCC3 169686325 MXUPEBJSNJKCCA-SJORKVTESA-N 364.449 3.355 0 1 FGAF O=c1c2c(oc3cc(O)ccc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857620599 QYNGIJQVCYULEM-FSPMTTQMSA-N 366.461 3.124 0 1 FGAF COc1nn(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(=O)o1 592822 QPUXQWSDBKIGCJ-UHFFFAOYSA-N 367.405 3.384 0 1 FGAF O=C1c2ccccc2C(=O)N1c1ccc(OCCN2CCCCC2)cc1 1639169 XNVUOPFLRRDEEI-UHFFFAOYSA-N 350.418 3.352 0 1 FGAF C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3870936 QZIGLSSUDXBTLJ-KFGODFMUSA-N 352.452 3.085 0 1 FGAF CC1(C)CC[C@H](c2cc(F)ccc2F)N1c1ccn2ncc(C(N)=O)c2n1 115078223 RKVKRYPLPNWYSE-OAHLLOKOSA-N 371.391 3.227 0 1 FGAF COc1cccc2c1OC[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)C2 66080584 KAULBGZYEKPLDK-AWEZNQCLSA-N 374.400 3.041 0 1 FGAF O=C(O)/C=C\c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 29042422 QEQDTPMQMKDYJW-FLIBITNWSA-N 358.361 3.052 0 1 FGAF Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)O)c(CC2CCCCC2)c1 26751134 WFHBTYFDIZWFDG-RTBURBONSA-N 364.482 3.392 0 1 FGAF CCCCC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@H](O)CCCC(=O)O 2356759237 UXVRTOKOJOMENI-GBESFXJTSA-N 352.471 3.129 0 1 FGAF CN(C(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccc1 71330441 IZSQBITVWHMICI-WJDWOHSUSA-N 368.414 3.052 0 1 FGAF COc1ccc(C2=C3C(=O)OC[C@H]3Cc3ncn(Cc4ccccc4)c32)cc1 36387966 BYHPYLNCPFENFP-QGZVFWFLSA-N 372.424 3.471 0 3 FGAF COc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)c1 73195879 NMJRFKJTCHZCLZ-UHFFFAOYSA-N 367.357 3.190 0 1 FGAF COc1c2ccoc2c(OC[C@H](O)C(C)(C)Cl)c2oc(=O)ccc12 14650624 FAYBWXRPYVVJAY-NSHDSACASA-N 352.770 3.305 0 1 FGAF biogenic COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3c(OC)cc(C)cc32)c1 40407363 RSVPMUUVXQKCSR-GOSISDBHSA-N 367.401 3.389 0 1 FGAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40836609 AMMIKVRYXNRYLI-HCSGDKDASA-N 370.804 3.130 0 1 FGAF O=C(c1cnc(NC2CCCC2)nc1-c1ccccc1F)N1CCOCC1 82150558 YLXPRSBEDWROAZ-UHFFFAOYSA-N 370.428 3.110 0 1 FGAF Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)C3CCCCCC3)n2)cc1 199402896 BXEKOAGRTFJILD-UHFFFAOYSA-N 353.466 3.400 0 3 FGAF C[C@H](O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 145134227 WDFIRAASCCQJKG-NSHDSACASA-N 353.426 3.283 0 1 FGAF COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1Cl)CN(C(C)=O)CC3)C(=O)N2 96272956 JCFYYOOCRKTOGG-JYRVWZFOSA-N 371.824 3.074 0 1 FGAF COC(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1OC 587164400 UPZABHSUWVVYMO-MRXNPFEDSA-N 357.385 3.148 0 1 FGAF COc1cccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587389020 HUONGCJAAMVESB-FQEVSTJZSA-N 354.406 3.339 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3nc(Cl)c[nH]c-3n2)cs1 587018917 CMTXYSGXHMNLJK-UHFFFAOYSA-N 366.834 3.352 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cnn(C(C)(C)C)c1)CC2=O 587474167 CICUEYGOCACFRL-FQEVSTJZSA-N 372.421 3.242 0 1 FGAF NS(=O)(=O)c1cccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c1 587922107 HCJPCMOFGPYXBJ-UHFFFAOYSA-N 352.387 3.403 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccccc1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O 587438756 HRUYRIOTGNIKDI-KDDHCUDTSA-N 354.358 3.036 0 1 FGAF COC(=O)c1ccc([C@]2(CF)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614669 YHASXFHSHZGZIN-ZSEKCTLFSA-N 373.424 3.238 0 1 FGAF Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962908258 UVONZEHEVKJPEM-GHTZIAJQSA-N 371.408 3.150 0 1 FGAF O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)NCCc2ccc(O)cc21 963343364 URWFXGCACWPZDJ-JOCHJYFZSA-N 361.397 3.234 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2cccc([N+](=O)[O-])c2)COC1(C)C 199067570 DRBXBBYBZPIJCI-CYBMUJFWSA-N 352.387 3.346 0 1 FGAF biogenic Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc(Cl)c2O)n1C 14944746 BLPIKYBYVBSGPW-VKAVYKQESA-N 374.915 3.341 0 1 FGAF N[C@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O 14951211 DWLOVDOPFJPWNE-PKOBYXMFSA-N 355.434 3.492 0 1 FGAF in-vitro NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl 169351740 IBQJNNPDEPQPIB-UHFFFAOYSA-N 370.217 3.358 0 1 FGAF COC(C)(C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165961962 OOICMAXQUBQVKK-UHFFFAOYSA-N 367.449 3.389 0 1 FGAF CCCCC[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(=O)O 4556660 IXAQOQZEOGMIQS-RPJPXJAASA-N 352.471 3.129 0 1 FGAF O[C@@H](Cn1cncn1)Cn1c2ccccc2c2cc(Br)ccc21 1857764115 UHRKZEVJJYCKKA-ZDUSSCGKSA-N 371.238 3.210 0 1 FGAF Clc1ccc(-c2cnc3n2C[C@@H](CNCc2cccnc2)OC3)cc1 2356320637 WZQRNBASCBVSEF-QGZVFWFLSA-N 354.841 3.287 0 1 FGAF COc1cc2c(c(O)c1CC=Cc1ccc(O)cc1)C[C@H](C(C)(C)O)O2 2356330962 SJDHFQFQYUEPRC-LJQANCHMSA-N 356.418 3.437 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@@]4(C[C@H]12)C3=Nc1ccc(OC)cc14 2356410020 ZCVCMEPRSGMRMX-WYNJWVBZSA-N 364.445 3.003 0 1 FGAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@@H]12)[C@]31CCC(C(=O)O)=C1C4 2356423632 IKXSZLFDAMZVFG-FNAGCRLYSA-N 355.482 3.490 0 1 FGAF O=C(O)[C@@H]1CCCN(CC[S@](=O)C(c2ccccc2)c2ccccc2)C1 28902775 IOBMHUWWMYDGBP-NIYFSFCBSA-N 371.502 3.321 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356536628 ZRSQRFGDQDYYGF-PPYAEWONSA-N 350.499 3.293 0 1 FGAF C[C@]1([C@H](O)C=Cc2ccccc2)C(=O)O[C@@H](CCc2ccccc2)C[C@H]1O 2356606032 ZYORESFJFXBQPU-ZZLPTCMGSA-N 366.457 3.376 0 1 FGAF CCNCCCNCCCCN(CCCCC1CC1)CCCNCC 27301066 XJQFPEYPNGBTBF-UHFFFAOYSA-N 354.627 3.238 0 1 FGAF CC[C@H]1C[C@H]2C[C@H]3c4c(C(=O)CO)c5cc(OC)ccc5n4CN(C2)[C@@H]13 2356851856 QKSKSUCMSJEZGG-YDYCPSOVSA-N 354.450 3.000 0 1 FGAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1F 61922171 MFUDJBLNDJMYFB-UHFFFAOYSA-N 352.369 3.073 0 3 FGAF COc1cc2c(c(O)c1[C@H]1COc3cc4occc4cc3C1=O)OCO2 15203331 VTWYRBBCPYEEJM-LLVKDONJSA-N 354.314 3.235 0 1 FGAF biogenic C/C(=C\CSCCC(=O)O)CCn1cc(COc2ccccc2)nn1 84724346 JCHGZEHVVDIBPH-OVCLIPMQSA-N 361.467 3.401 0 1 FGAF COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC 96934906 YAWWIBMFHPIZPP-UHFFFAOYSA-N 371.462 3.443 0 1 FGAF CCOc1ccc(NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 473159160 WTOFYFCWHZDYLP-MRXNPFEDSA-N 355.390 3.096 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NC)cc1)CC2=O 587471076 QJFYVIBQALSPQT-IBGZPJMESA-N 369.417 3.176 0 1 FGAF COc1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656266 IJNYKQDCYGISNN-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587600932 BZITYTUFYHFYFH-VFVRVIDISA-N 350.370 3.482 0 1 FGAF COC(=O)[C@H](C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597361 YVQUMPLXAGFVIN-ADYAMRHXSA-N 356.374 3.312 0 1 FGAF COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650403 UNHSJLANCAJVCB-UHFFFAOYSA-N 361.394 3.093 0 1 FGAF COCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585931 IQWYABQCHATVDS-FXAWDEMLSA-N 364.357 3.032 0 1 FGAF CNS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531676 INYIUUKEWWKIDA-LJQANCHMSA-N 371.458 3.180 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C)C(C)=O)n1)CC2=O 587497529 WZQSFEFASSQEAC-MRXNPFEDSA-N 360.435 3.490 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cn2)N1 587728000 FALAQHPDKLNKDD-AYVTZFPOSA-N 354.198 3.315 0 1 FGAF CC[C@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439467 UJQIATJXDQHZEA-PXARDIRTSA-N 357.450 3.383 0 1 FGAF Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc(F)ccc12 587635761 MUHFMHYDMWFESX-UHFFFAOYSA-N 351.385 3.289 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3c(c1)CCCC3)O2 587408148 NEUIBZKNOAYTGC-OAQYLSRUSA-N 351.402 3.401 0 1 FGAF O=C(O)c1cc(F)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587076372 RIKIZCBSMNLPQN-UHFFFAOYSA-N 357.732 3.301 0 1 FGAF Cc1ccc(S(=O)(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406305 AYTSSIUNSGDYST-IBGZPJMESA-N 359.447 3.083 0 1 FGAF N[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)O)c2[nH]1 586984873 VUOKQUVNSOFPAF-GFCCVEGCSA-N 360.211 3.266 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2ccnc(OC)c2[nH]1)C(F)(F)F 587092449 NCMYLRYQGLABLM-MRXNPFEDSA-N 366.343 3.130 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nn(C)cc32)N1 587761135 SKYJBUYWPLQHPE-BMLIUANNSA-N 364.262 3.436 0 1 FGAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnncc3[nH]2)C[C@H]2CCCC[C@@H]21 587025998 JTSKYQVZRVABOU-COXVUDFISA-N 367.478 3.489 0 1 FGAF N=c1[nH]c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc-2c(Cl)[nH]1 587074760 XSYPANFSAOZXDV-NSHDSACASA-N 363.252 3.361 0 1 FGAF Cc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br 587256425 ILLFJYFOAATRCR-LLVKDONJSA-N 368.275 3.235 0 1 FGAF O=C1NCCn2c(CCc3ccc(CN4CCCC4)cc3)nc3cccc1c32 13858443 FBCLRDYKHNGUET-UHFFFAOYSA-N 374.488 3.161 0 1 FGAF in-vitro CC(C)N(C(=O)C12[C@H]3C4C5[C@@H]([C@@H]41)C2(C(=O)N(C(C)C)C(C)C)[C@H]53)C(C)C 17210917 GJEVPNNDIBPZIY-FTLVDWBVSA-N 358.526 3.015 0 1 FGAF CCc1cccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 169709263 NHOFPTKQFDWKBW-YWZLYKJASA-N 353.466 3.499 0 1 FGAF COc1cccc(NC(=O)[C@H]2CCCN2C(=O)NC2CCC(C)CC2)c1 201450651 MLWQLYIGQGYPOE-JTTJXQCZSA-N 359.470 3.386 0 3 FGAF O=C(COc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205222990 KLSRPWWAQIBPAO-XJKSGUPXSA-N 374.799 3.119 0 3 FGAF O=C(c1cccc(F)c1F)n1nc(OCCN2CCCC2)c2ccccc21 1857605393 HUROHLWFOLUBSA-UHFFFAOYSA-N 371.387 3.478 0 1 FGAF NC(=O)c1cc(-c2ccccc2)cc2c([C@H]3CCCS(=O)(=O)C3)c[nH]c12 114234899 OOBVTLGHCIKTBE-AWEZNQCLSA-N 368.458 3.226 0 1 FGAF COc1ccc(OCc2nnc(SCC(=O)O)n2-c2ccccc2)cc1 2584226 BLQWCMIYJZJVIB-UHFFFAOYSA-N 371.418 3.032 0 1 FGAF CN(Cc1ccccc1)C(=O)CCCn1c(=O)c2cccn2c2cccnc21 6797373 HSPZMIMGHWPTMC-UHFFFAOYSA-N 374.444 3.088 0 3 FGAF CC(C)C[C@@]1(C(=O)NCc2ccccn2)C=CCN1C(=O)c1ccccc1 7992725 QKLILSWHWDVEPZ-JOCHJYFZSA-N 363.461 3.195 0 3 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc(C2CC2)on1 117585452 GCPCNFYBAOAGCY-UHFFFAOYSA-N 356.426 3.063 0 1 FGAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)c1cccnc1)CC2 66123554 IAPAFGMLIQJTKD-OAHLLOKOSA-N 365.477 3.479 0 1 FGAF CCCC(C)(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 61906422 QEVYGZKLNIIBTM-HXUWFJFHSA-N 360.454 3.214 0 3 FGAF COC=C(C(=O)OC)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C 2356739386 WAVDUDGTTMFJQX-CRFBAAHOSA-N 354.450 3.426 0 1 FGAF CC(C)NC[C@@H](O)COc1ccc(CCOCCc2ccccc2)cc1 29340111 GNMNXYBVWHRGEM-OAQYLSRUSA-N 357.494 3.226 0 1 FGAF CC(=O)N[C@@H](C)c1cccc(-c2nc3c(nc(N)c4ncn(C)c43)s2)c1 66258978 DYHUWKGUGOWLTH-VIFPVBQESA-N 366.450 3.024 0 1 FGAF C=C(c1c(C)c(C)cc(Cl)c1OC[C@H](O)CNC(C)C)n1ccnc1 33886632 UOUFRBKRLMKLHS-MRXNPFEDSA-N 363.889 3.410 0 1 FGAF C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1 35075260 NVFASTTYRDVPEF-JNHGLSHCSA-N 363.505 3.098 0 1 FGAF CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73138027 UJGNNAZUAQMDOQ-UHFFFAOYSA-N 373.478 3.315 0 1 FGAF O=C(Cc1ccncc1)N1CCC(c2nc(-c3cccs3)no2)CC1 71317889 JGZWOMLKIJUXPH-UHFFFAOYSA-N 354.435 3.142 0 1 FGAF CC(C)(C)OC(=O)NC[C@H](NO)c1c[nH]c2cc(Br)ccc12 71340881 JIJDQZCQZVESSF-ZDUSSCGKSA-N 370.247 3.475 0 1 FGAF FC(F)(F)c1nc(NC2CCCCC2)c2nnn(C[C@H]3CCCO3)c2n1 84690271 NCRYGDAWZMJPSJ-LLVKDONJSA-N 370.379 3.164 0 1 FGAF CCc1oc(CCc2cc(N3CCOCC3)cc(NC(C)C)n2)nc1C 43021463 LPAZDUDYLKSVAV-UHFFFAOYSA-N 358.486 3.383 0 1 FGAF CO[C@@H]1CCCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)C1 225574621 IXEGROFEYMCIIY-OAHLLOKOSA-N 367.453 3.422 0 1 FGAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cc2)cn1 149791728 JCYPBNCMKWVCRB-UHFFFAOYSA-N 371.404 3.036 0 1 FGAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@@H]2OC 238739327 IGWLUOQYFVDTGR-BFWHURILSA-N 368.477 3.228 0 1 FGAF COc1cncc(-c2cccc(-c3cn4ccc(OC)c(C(N)=O)c4n3)c2)c1 96916061 AJGOXHBGWDCFOT-UHFFFAOYSA-N 374.400 3.179 0 1 FGAF CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NC(C)(C)CO)cc1 95583724 PTQRGNUSHBFXLC-UHFFFAOYSA-N 373.497 3.039 0 1 FGAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3[C@H](OC)OC[C@H]23)ccc1O 238748972 PWKVHHWFBTXMHU-UGCQDJOBSA-N 372.417 3.038 0 1 FGAF CN(C)[C@@H](CNc1ccc(C(N)=O)c2ncncc12)c1cccc(Cl)c1 143847042 BTLXOEZIMXLEQI-KRWDZBQOSA-N 369.856 3.097 0 1 FGAF COc1ccc(C2=NCCN2c2ccc(S(C)(=O)=O)cc2)cc1Cl 299834527 YPBZRJJOBDDJQJ-UHFFFAOYSA-N 364.854 3.019 0 1 FGAF Nc1ccccc1-c1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 653831305 IQYUPTZODOOZAZ-UHFFFAOYSA-N 359.842 3.438 0 1 FGAF Cc1csc([C@](O)(Cc2nc3c(Cl)ccnc3[nH]2)C(F)(F)F)n1 587094222 NHDZVHQNTLENHP-GFCCVEGCSA-N 362.764 3.369 0 1 FGAF Cn1nc(C(F)(F)F)cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873961 MZICYNZNEQNQFN-UHFFFAOYSA-N 352.247 3.236 0 1 FGAF Cc1nn(C)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760130 XLKZMYJSHGXNAJ-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF COc1cccc([C@@H](C)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587932914 XAKMGTHKRHKJBH-ZDUSSCGKSA-N 373.478 3.168 0 1 FGAF Oc1nc2cc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc2[nH]1 587039103 CBNLCNJMDFKIBK-JKSUJKDBSA-N 351.435 3.091 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 586974679 XCLFZZSZPOBHLF-MRXNPFEDSA-N 369.446 3.372 0 1 FGAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccco2)[C@@H]1c1ccc(F)cc1 587359820 ZVUOVHUSQXNBNA-YLJYHZDGSA-N 368.316 3.463 0 1 FGAF COc1nc(C)c([C@@]2(C)NCCc3ccc(O)cc32)cc1Br 963352163 JZXYWFXILNBFKV-QGZVFWFLSA-N 363.255 3.276 0 1 FGAF CC1(C)CNC(=O)C[C@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962696453 FJGJZQYJXOLOMR-VLIAUNLRSA-N 362.514 3.321 0 1 FGAF CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962956587 YNGBSJADIRHREC-XMLVGPMBSA-N 352.434 3.343 0 1 FGAF O=C(O)CC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1 38345157 LBHPTQZJNPWDQA-UHFFFAOYSA-N 356.451 3.372 0 1 FGAF COc1ccc2c(c1OC)N(C=O)C13CCC4(CCCN5CC[C@@]21[C@H]54)CC3 13373748 ZQIZRPRLODREBX-XBCQCDMNSA-N 368.477 3.099 0 1 FGAF biogenic CCN1C(=S)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C 8323035 LPKJEWSTAMKGEX-ZDUSSCGKSA-N 358.385 3.404 0 1 FGAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4cnccn4)C[C@@H]2N3)cc1 100108682 KIIKJNWTIJJZQY-ZBYYUNFXSA-N 370.456 3.032 0 1 FGAF C[C@H]1NC(c2ccc(Br)cc2)=Nc2nc3ccccn3c2C1=O 103245036 ANUMJYAWAGPICH-SNVBAGLBSA-N 369.222 3.350 0 1 FGAF CN1[C@H]2CC[C@H]1[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)CC2 100378668 LSJGAYNIIMEDLR-SLFFLAALSA-N 351.446 3.091 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](O)[C@@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356673223 JVMIMRFLGUGLOG-JWOLRRJOSA-N 362.466 3.184 0 1 FGAF CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C[C@H](O)CC(=O)O 38230698 QVYJIEVLAGBEIH-JBHGBGNBSA-N 352.471 3.129 0 1 FGAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@H]3N=CNC(=O)[C@@H]23)cc1 195154667 QJQREYVFCQOAIW-CZTZKLFOSA-N 358.397 3.473 0 1 FGAF COC(=O)[C@]12Cc3ccccc3[C@@H]1C[C@H](C)[C@H](C)N2C(=O)C(F)(F)F 254014521 XLELXJZZMSCKDP-BQNZHIODSA-N 355.356 3.057 0 1 FGAF COc1ccc(C[C@H](C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1OC 587925652 FVOJBAPYTFPSPA-LBPRGKRZSA-N 374.462 3.330 0 1 FGAF COC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587835542 PKIMPDAZYABGNG-ZUZCIYMTSA-N 358.251 3.359 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnc(Cl)cn1 587867740 DBTAAEVKIKNLIK-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF Ic1cnc2[nH]c(-c3occ4c3CCC4)nc2c1 586905573 UKFPXMQJXWGPSN-UHFFFAOYSA-N 351.147 3.311 0 1 FGAF COc1ccc(-c2ccnc(Nc3cccc(NS(C)(=O)=O)c3)n2)cc1 1772639762 SQVVOMDRUCFWKH-UHFFFAOYSA-N 370.434 3.267 0 1 FGAF COc1cccc(OC)c1OCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 1772586902 LCQPRSSUINBPJM-UHFFFAOYSA-N 369.373 3.136 0 1 FGAF CCc1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 13740732 VEBQFPSIZLJALQ-UHFFFAOYSA-N 351.454 3.014 0 1 FGAF C[C@H](N=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 169694301 HMTMYFZNKXYUTL-VIFPVBQESA-N 354.320 3.369 0 1 FGAF CC1(C)[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@H]21 206414183 CEQFGBDWPIJQAJ-GJZGRUSLSA-N 369.808 3.133 0 1 FGAF O=C(OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)N1CCCC1 203463222 LZAXTTXAMONJSR-UHFFFAOYSA-N 354.332 3.078 0 3 FGAF Cc1nnnn1-c1ccc(NCc2cc3cc(Cl)ccc3nc2O)cc1 1857546225 YTNJBJHNTIQCJD-UHFFFAOYSA-N 366.812 3.490 0 1 FGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cnn(C)c1 118707610 ANOUXZUTNMMCOZ-UHFFFAOYSA-N 370.409 3.026 0 1 FGAF CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1C 3339757 GZKNEOSFWDOBKB-SFHVURJKSA-N 368.437 3.022 0 3 FGAF Cc1cccc(N2CCN(C3=NC(=O)[C@@H](Cc4ccccc4)S3)CC2)c1 4063829 NHJVGEWVBXYWQH-LJQANCHMSA-N 365.502 3.358 0 3 FGAF COc1ccc2nc(C[C@@H]3CN(CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302653 KSYPWVDWSYBTMU-HUUCEWRRSA-N 359.470 3.183 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(C3(O)c4ccccc4-c4ccccc43)nn1)C2 100597534 OCGBTWLWTWFTKA-BJWYYQGGSA-N 372.472 3.340 0 1 FGAF CCCn1c2nc(C34C[C@@H]5CC3C[C@@H](C5)C4)nc-2c2n(c1=O)C[C@H](CC)N2 104935212 KSNFSPWAGPTPTM-FVAULCICSA-N 367.497 3.236 0 1 FGAF CCCn1c(=O)c2c(nc(/C(C)=C/c3ccccc3)n2C)n(CCC)c1=O 26402102 COSOPUIFIBWWGN-CCEZHUSRSA-N 366.465 3.277 0 1 FGAF CCOC(=O)c1ncn2c(=NCc3ccco3)[nH]cc(-c3ccccc3)c12 1911582873 DFMJIOMYNHXBIT-UHFFFAOYSA-N 362.389 3.200 0 1 FGAF CNCCNc1ncc(C(N)=O)c2sc(-c3ccc(Cl)cc3)cc12 64560325 MMLJHVULFWLYFO-UHFFFAOYSA-N 360.870 3.347 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)O 2356506133 CIMMACURCPXICP-XLAORIBOSA-N 354.487 3.475 0 1 FGAF Cc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1 45348003 AZTIAPCDZAYYTP-UHFFFAOYSA-N 353.813 3.013 0 1 FGAF Cc1c(Sc2ccccc2)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O 195103519 XHCKCIDCEXXYHT-UHFFFAOYSA-N 364.543 3.309 0 1 FGAF CC(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 223378430 WDAFSDQGFMOCOQ-UHFFFAOYSA-N 374.872 3.089 0 1 FGAF COc1ccc2oc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1 40423142 FKLGFDMCTWBSTE-UHFFFAOYSA-N 357.362 3.280 0 1 FGAF Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 95572840 IDCYJIXJAWIGMX-UHFFFAOYSA-N 366.812 3.344 0 1 FGAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](C=O)C(=O)OC 30724353 AUOFTPXWUVYOOQ-SCTDSRPQSA-N 352.434 3.021 0 1 FGAF biogenic Cc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(Cc3cccs3)C[C@@H]2O1 299842398 PCIRLLXKUFGVQG-OLMNPRSZSA-N 357.479 3.070 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)NC(=O)CO3)CC2=O 587484834 NWAWOURTZVROHW-GOSISDBHSA-N 353.374 3.382 0 1 FGAF CC[C@]1([C@@H](F)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587723815 XZUBQWZXHNOUGB-AFEMSUNCSA-N 362.214 3.239 0 1 FGAF Cn1ccnc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576179 IAXUFFQAHDYKRS-DYESRHJHSA-N 362.385 3.393 0 1 FGAF FC(F)(F)c1nn(CCc2nc3cnncc3[nH]2)c(C2CC2)c1Cl 587117477 SNHQSMGLHVUAJK-UHFFFAOYSA-N 356.739 3.342 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]ccnc1-2 587590172 RRYJAIXGPWOZOX-DNVCBOLYSA-N 359.341 3.318 0 1 FGAF COC(=O)c1cc2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc2cc1OC 587934397 DJWLLITZIITNIM-ZMZPIMSZSA-N 370.405 3.204 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)ncc3[nH]2)C(F)(F)F)n1 587094942 WSXBUQROMFEPCW-LBPRGKRZSA-N 362.764 3.369 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)C(C)(C)C 587205719 TUKRJWDCPDZTLW-VIFPVBQESA-N 353.854 3.440 0 1 FGAF CCn1cc(Br)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587372585 PUPNIQMOYGBQPB-MRXNPFEDSA-N 364.243 3.437 0 1 FGAF CC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163572 MMTXRVFIMYKIAP-UHFFFAOYSA-N 364.380 3.183 0 1 FGAF Cc1cnc(-n2cccc2[C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963025346 JUBQTYUTGIXBCA-YJYMSZOUSA-N 364.474 3.385 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ncc(-c2cccnc2)o1 963641516 XKAWYPBMWYJFMC-BLVKFPJESA-N 351.406 3.377 0 1 FGAF CCNC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772634691 REFZINSCQOOBRX-UHFFFAOYSA-N 358.405 3.285 0 1 FGAF CN1[C@@H]2CC[C@@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)[C@H]1CC2 5995997 LSJGAYNIIMEDLR-XUVXKRRUSA-N 351.446 3.091 0 1 FGAF COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 13594038 VVTAGMYEZOKZQW-MRXNPFEDSA-N 370.449 3.237 0 3 FGAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@H]1Cc1ccccc1)N1CCCC1 13756542 XKZSTDUTLOLSSW-XBFLDVLASA-N 366.505 3.257 0 1 FGAF CC(=O)Nc1cnc2nc(O)n([C@H]3CC[C@H](C(C)(C)C)CC3)c(=O)c2c1 1857544575 JDPJJVQYOLBSON-MQMHXKEQSA-N 358.442 3.233 0 1 FGAF CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)nn2c1=O 19521696 PANNMFNFTWSOHO-HNNXBMFYSA-N 354.429 3.022 0 1 FGAF CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(C)cc1)C2 101283321 LIHJVSQKOXMPOK-JQHSSLGASA-N 364.511 3.164 0 1 FGAF CC(=O)N[C@H]1CC[C@H](c2n[nH]cc2-c2ccnc(NC3CCCC3)n2)CC1 101232075 PRFQGCBPEYPZAY-FZNQNYSPSA-N 368.485 3.384 0 1 FGAF COc1ccc(OC)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1 103236633 IIBZGDZRQNVEKX-PHZGNYQRSA-N 370.449 3.222 0 1 FGAF CC(C)c1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 114577419 NQVHAUCTRZBPOD-GOSISDBHSA-N 354.454 3.090 0 1 FGAF CC(C)=CC(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 15267008 CRFUAJMARLIXPR-INIZCTEOSA-N 358.390 3.399 0 1 FGAF biogenic CC(=O)Nc1cccc(Nc2ncnc(N3CCc4ccccc4C3)n2)c1 72106986 ZNZCGEXKQOUCKF-UHFFFAOYSA-N 360.421 3.136 0 1 FGAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)ccc2c1=O 49113272 KWRPQBUOZRTWTK-UHFFFAOYSA-N 353.374 3.389 0 1 FGAF CCCCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C\CC[C@@H]1OC(C)=O 238784102 TXKKHPOCYZDCHH-RUCGLTTGSA-N 354.443 3.328 0 1 FGAF O=C(O)Cc1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 299852455 SILGAQUZKUAGNB-CYBMUJFWSA-N 362.817 3.092 0 1 FGAF COc1c(O)ccc2c1[C@@H](O)N(C)c1c-2ccc2cc3c(cc12)OCO3 653737748 PMEQPMCOYLQUEW-HXUWFJFHSA-N 351.358 3.390 0 1 FGAF O=C1CSc2ccc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 587044195 ROBHQKRWFUQBNR-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF C[C@H](O)c1ncc(-c2nc3ccc(I)cc3[nH]2)s1 587022715 VUPHEJNTORBJAW-LURJTMIESA-N 371.203 3.344 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(C(=O)O)c3[nH]2)c[nH]1 587061629 WOPFPIUSHWIIOK-UHFFFAOYSA-N 365.780 3.451 0 1 FGAF COC(=O)C[C@@]1(Cc2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427876 WOMHBYGWELPTGK-QVKFZJNVSA-N 370.376 3.126 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1ccc(C)n1 587862718 GJNURARFCHRFFK-UHFFFAOYSA-N 364.327 3.423 0 1 FGAF Sc1nnc(SCc2nc3cc4c(cc3[nH]2)OCCCO4)s1 587026202 VMUMHZWXVLPQIQ-UHFFFAOYSA-N 352.466 3.157 0 1 FGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 587529878 RCTWOZYFZNNAME-GYDHXXFTSA-N 362.425 3.112 0 1 FGAF CC(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 586940793 GDFBTAJBBSSLKQ-MDZDMXLPSA-N 369.446 3.164 0 1 FGAF COC(=O)c1ccc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c2n1 587928569 DPWBJANPBQOTQG-SNAWJCMRSA-N 353.378 3.018 0 1 FGAF CC1=C([C@@]2(C)NCCc3c(C)ccnc32)[C@@H](c2ccc(F)cc2)CC(=O)N1 963082546 BGYBEUROPURQLZ-XMSQKQJNSA-N 365.452 3.468 0 1 FGAF Cc1cc2c(cc1O)[C@H](c1cccn1-c1ccccc1F)N[C@H](C(=O)O)C2 963474948 XWJCGRAGSXENAW-OXJNMPFZSA-N 366.392 3.319 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H]([C@@H]3CCN(Cc4ccccc4)C3)c3cccc1c32 963038641 XGLWUPJFKWVSQD-PMAPCBKXSA-N 361.489 3.303 0 1 FGAF CCOC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(N)ncc1CCC2 1772580335 ZFQAASLRTXVNQH-UHFFFAOYSA-N 362.433 3.241 0 1 FGAF c1ccc2nc([C@H]3C[C@H]3c3cn4nccc(N5CCOCC5)c4n3)ccc2c1 1772624859 ZGOVKVOORNBZEO-DLBZAZTESA-N 371.444 3.385 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H](CO)[C@]2(C)CCc1ccoc1 15162602 ZCYNGZQSKJQXRJ-NRJJLHBYSA-N 362.466 3.107 0 1 FGAF biogenic CCCCC/C=C\C[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1CCCC(=O)O 169622178 VRHOOVVYFPUEHK-KFVDZBPCSA-N 352.471 3.251 0 1 FGAF CC[C@@H](NC(=O)CN1CCN(c2cccc(OC)c2)CC1)c1ccccc1 203475391 SFDFUPBBYZIJPB-OAQYLSRUSA-N 367.493 3.085 0 3 FGAF COc1ccccc1C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205225323 CDHHKDGZAGCPMS-MLGOLLRUSA-N 374.799 3.363 0 3 FGAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1ccc(F)cc1 770553 QXTYIVIYBPCQDC-OAQYLSRUSA-N 370.424 3.324 0 1 FGAF COc1ccc2ccc(=O)oc2c1C=C[C@@H](CO)COC(=O)CC(C)C 2356467963 LPBBOCMPCDPSPZ-AWEZNQCLSA-N 360.406 3.013 0 1 FGAF CCC(=O)[C@H]1[C@@H](c2cccc(I)c2)C[C@H]2CC[C@H]1N2 100911856 NPUPASYITYXDSJ-KQTLUZQSSA-N 369.246 3.494 0 1 FGAF Nc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3cc(F)ccc32)cc1 28129783 CMSVYWBZMAWHQM-UHFFFAOYSA-N 373.453 3.067 0 1 FGAF CC(=O)[C@H](Cc1ccccc1NCN1C(=O)CCC1=O)c1ccccc1 27105129 LZJZTNPVGPBVIO-SFHVURJKSA-N 350.418 3.120 0 1 FGAF COc1ccc(CCCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC 28653660 FNCANBLHFUSJFD-RTBURBONSA-N 363.498 3.296 0 1 FGAF c1cc(NC2=NCCN2)ccc1Cc1ccc(OC2CCOCC2)cc1 26004330 ZODCLJXQLFWUHZ-UHFFFAOYSA-N 351.450 3.206 0 1 FGAF C[C@]1(C(=O)N2Cc3ccccc3C2)CCN1C(=O)C1(c2ccccc2)CC1 61907177 RDEHBUWUNPOGNK-JOCHJYFZSA-N 360.457 3.252 0 3 FGAF COc1c(O)ccc2c1C[C@@H](C(C)(C)O)[C@H]2CC(=O)c1ccc(O)cc1 2356558735 KERBMEWZYAFFCZ-DOTOQJQBSA-N 356.418 3.406 0 1 FGAF COC(=O)Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12 32165153 RKLGIVJTQSFHOH-UHFFFAOYSA-N 367.401 3.371 0 1 FGAF CN1O[C@@](C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1Cl 74374206 OESNHROIAKAJPI-IBGZPJMESA-N 357.841 3.386 0 3 FGAF O=S(=O)(c1cccc(F)c1)c1cn(CCN2CCCC2)c2ncccc12 45257679 VTFKTLQZOPMCPJ-UHFFFAOYSA-N 373.453 3.104 0 1 FGAF CCOC(=O)CCN(Cc1ccco1)C(=S)Nc1cccc(OC)c1 40949421 WZDZOJFZMJFHNV-UHFFFAOYSA-N 362.451 3.440 0 1 FGAF COc1ccc(OC2CCNCC2)c(-c2nc(Cc3ccccc3)no2)c1 225206518 QNRSGRWALOYANL-UHFFFAOYSA-N 365.433 3.467 0 1 FGAF C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211033 GCRNMWZMQNVJHP-HNNXBMFYSA-N 368.481 3.189 0 1 FGAF Cc1ccc(CNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)cc1 82203572 GBOFEWFGTQVARC-UHFFFAOYSA-N 374.492 3.427 0 1 FGAF COc1cc2c(cc1O)O[C@@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@@H](O)C4 43013061 SEIHXYPYVZURAM-QTJFZDIUSA-N 370.401 3.085 0 1 FGAF biogenic CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)C1 299878179 IMRXPYAJPMDGTE-XKQJLSEDSA-N 359.518 3.127 0 1 FGAF N=c1[nH]ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977001 SQHDVNHDRXCZKD-UHFFFAOYSA-N 353.607 3.365 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCN(C(C)=O)Cc4ccccc41)[C@@H](C2)C3=O 587434835 CGBCQKYXZQCUGZ-AVRDEDQJSA-N 363.413 3.090 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC(=O)OC)ccc1O)CC2=O 587482554 UMPNZUIQSZMWBZ-IBGZPJMESA-N 370.401 3.472 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cncn1)(c1ccc(F)cc1F)O2 587384635 GQBBTWQQNAYWHI-IBGZPJMESA-N 370.359 3.008 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)C2CC2)N1 587753972 ILVGPCFBYYGBFK-HWPZZCPQSA-N 369.278 3.470 0 1 FGAF FC(F)(F)CCc1ocnc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587092567 RQOBIYJKHBCFOJ-UHFFFAOYSA-N 351.210 3.473 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O 587101716 OZPQAYMBMGAUOY-SUMWQHHRSA-N 373.364 3.180 0 1 FGAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1nccs1)[C@@H](C2)C3=O 587451198 JCTKJSCYGSZYIJ-CPZHEODRSA-N 356.447 3.260 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)O)(c1ccc(O)cc1)CC2=O 587486001 WJLHDFJBQJCNCO-FQEVSTJZSA-N 356.374 3.386 0 1 FGAF OCc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120586 PSBWENXBQXGVQX-UHFFFAOYSA-N 350.222 3.483 0 1 FGAF Cc1cc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c(C)n1 586921574 DNODITJEVDNUBV-UHFFFAOYSA-N 355.463 3.080 0 1 FGAF O=c1oc2ccccc2cc1C1=Nn2c(nnc2-c2ccccc2)SC1 5775895 SUYQKDGVCFXZBS-UHFFFAOYSA-N 360.398 3.410 0 1 FGAF COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1 13779919 DMRBCCZUHPEICK-UHFFFAOYSA-N 368.477 3.027 0 1 FGAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2cc(F)ccc2F)nn1 201478847 NHFLSRKQZALFMQ-UHFFFAOYSA-N 362.311 3.492 0 3 FGAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2s1 1857642460 GMWFAYWZTVCCSW-HNNXBMFYSA-N 371.462 3.096 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2cccc(F)c2)C[C@]1(O)C(F)(F)F 1857752007 ONNGADYKLJNXST-KRWDZBQOSA-N 366.314 3.256 0 1 FGAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCN(C)C)nc(C)nc21 7991775 SZMJVZWCJSYBDB-UHFFFAOYSA-N 356.449 3.324 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)O 59135621 IFTMGFWLRDDHFF-NSHDSACASA-N 350.198 3.219 0 1 FGAF O=c1oc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1 29135405 WWPDOXILIDUTHY-UHFFFAOYSA-N 357.498 3.325 0 1 FGAF CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(F)ccc1C 103172842 MITBDMSPSALNFS-UHFFFAOYSA-N 358.417 3.323 0 1 FGAF Cc1cc(C)nc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 103285632 OYIXCPPEJWIHNN-OAHLLOKOSA-N 354.307 3.098 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)cc1 28863970 UFBRQERFYMHTLN-XWTMOSNGSA-N 361.438 3.462 0 1 FGAF CO[C@H](CCCC[C@@H](C)CC(C)=CC(C)=CC(=O)O)[C@@H](CO)C(=O)O 2356851943 QLJHLVMHRMAVKG-KBRIMQKVSA-N 356.459 3.258 0 1 FGAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@@H]3C=C12 16041875 IQLCNKFYAQMXOI-MEZWHVQBSA-N 373.493 3.060 0 1 FGAF biogenic CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196183 GJJPQHSEHBDONB-UHFFFAOYSA-N 364.449 3.004 0 1 FGAF COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 221946942 KBQYZQCZLNFQEL-QGZVFWFLSA-N 366.200 3.415 0 1 FGAF CCCCOc1cccc(Oc2ccc(NC(=O)[C@@](C)(N)CO)cc2)c1 40914141 KUZLVLQXEWUEAM-FQEVSTJZSA-N 358.438 3.306 0 1 FGAF CCOc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49069006 FACBOZUYNYDGBL-UHFFFAOYSA-N 365.361 3.046 0 1 FGAF O=C(c1ccccc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1 95565685 SZDLZAFAHKHBDN-UHFFFAOYSA-N 373.338 3.015 0 1 FGAF Cn1cc([C@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)c2ccccc21 95568323 UIQLRCKNROGDOC-KRWDZBQOSA-N 362.307 3.265 0 3 FGAF CC(C)N1C(=O)C=C(Br)C1=C(Br)Br 473154739 LCOQGAMIVFQDOJ-UHFFFAOYSA-N 373.870 3.475 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587173883 CEJHKURYEJTUAB-CYBMUJFWSA-N 356.332 3.263 0 1 FGAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587962350 HWOXLOWQLNBESR-RKDXNWHRSA-N 360.357 3.014 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1CCF 587552740 BYJXKVNGGYXQLF-LPHOPBHVSA-N 354.337 3.261 0 1 FGAF N=c1[nH]c2nc(-c3cccnc3NCc3ccccc3)nc-2c(Cl)[nH]1 587230637 VTDNSNAMOQFDOO-UHFFFAOYSA-N 351.801 3.045 0 1 FGAF COc1cc2c3c(c1)O[C@](CN)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O 587426928 BBLIPJKYARNYRQ-LGZJRCCHSA-N 353.418 3.004 0 1 FGAF Cc1c(-c2nc3ccc(CO)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073531 JPCRGRBOHJMEEH-UHFFFAOYSA-N 353.813 3.324 0 1 FGAF O=C1c2ccccc2C(=O)N1[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212793 QYKWFTGIKYTHII-AWEZNQCLSA-N 354.409 3.487 0 1 FGAF Cc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br 586923951 BHJHUQNVWMBGMO-UHFFFAOYSA-N 357.273 3.491 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1OCCO1)C1CC1 587605801 BCFBYMIEZFKXLZ-RXVVDRJESA-N 368.385 3.266 0 1 FGAF COc1cc2c3c(c1)OC1(CCN(C(=O)OCC(C)C)CC1)[C@@H](C2)C3=O 587434571 ATUOUVXANLKTNQ-HNNXBMFYSA-N 359.422 3.070 0 1 FGAF CC[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590688 CWIPUCVHAPJTFT-OWDMVUQNSA-N 356.374 3.312 0 1 FGAF COC(=O)c1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)ccn1 961613231 HISUCEFMTXLRTJ-INIZCTEOSA-N 373.250 3.398 0 1 FGAF O=[N+]([O-])c1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1 139044763 KRJKUEKJJRPEPV-UHFFFAOYSA-N 374.198 3.419 0 1 FGAF COc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1F 13600499 ADQLFCFBKUHYJE-UHFFFAOYSA-N 364.380 3.108 0 1 FGAF CCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641932 XCFCFGDFIJDQNG-CQSZACIVSA-N 369.240 3.402 0 1 FGAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3c(c2)C[C@H](N)C3)n1 203008549 HIDFZYJSOGLSBB-OAHLLOKOSA-N 361.453 3.299 0 1 FGAF CCCCCC[C@@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O 2356317174 UELDUQRKWMQXCM-YLJYHZDGSA-N 362.422 3.016 0 1 FGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)N1CCCCCC1 3913413 UWMPGOAGBPHVMM-QXGSTGNESA-N 364.445 3.014 0 1 FGAF O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 6769959 WNWCIYCPYMMDDO-INIZCTEOSA-N 354.381 3.213 0 3 FGAF CC[C@@H](C)NC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 8598901 ILOHYLSENRGWPB-CQSZACIVSA-N 353.422 3.415 0 1 FGAF COc1ccc(-c2nc3cc(-c4csc(C(N)=O)c4)cnc3[nH]2)cc1 103248086 ULGOPTXVFIQHMI-UHFFFAOYSA-N 350.403 3.461 0 1 FGAF COc1ccc([C@H]2COC[C@]3(C2)OCCN[C@H]3c2ccc(F)cc2)cc1 26568561 UCOVAVBDTKVUBA-QMMLZNLJSA-N 357.425 3.438 0 1 FGAF CCCCC[C@H](O)C=C[C@H](O)[C@@H](O)CC=CCC=CCCCC(=O)O 2356587570 PRMWQIVYOYCJQC-FHWLQOOXSA-N 354.487 3.353 0 1 FGAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116821825 MITFJCGNZRSBSK-GASCZTMLSA-N 363.417 3.045 0 1 FGAF CC(C)(C)O[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272672 DVKMUFWFJZRDGG-HNNXBMFYSA-N 366.849 3.233 0 1 FGAF Cc1nc(C)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(Cl)cc2)n1 38148819 TZJHSQWXRDXDCN-ZJBFNYKTSA-N 358.825 3.494 0 1 FGAF COc1c2c(cc3c1[C@H](O)[C@H](O)[C@H](c1ccccc1)O3)OC(C)(C)C=C2 14885799 DDLGTXKGHBSIRU-FHWLQOOXSA-N 354.402 3.407 0 1 FGAF biogenic COc1cc2ncc(C(N)=O)c(Nc3cc(F)cc(F)c3)c2cc1OC 40933743 SIJSEVYTHQJYDJ-UHFFFAOYSA-N 359.332 3.373 0 1 FGAF O=C1Nc2ccc(F)cc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 139459906 XGSBCFSXBRSLHX-INIZCTEOSA-N 361.170 3.258 0 1 FGAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)C2)cc1 84671511 ZXQJVMUAYSKASR-MRXNPFEDSA-N 366.452 3.464 0 1 FGAF CCCCc1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 82231359 AUTOBFPFYKMQRP-KUHUBIRLSA-N 366.465 3.219 0 1 FGAF COc1cc2cc(O)c(=O)oc2cc1Oc1ccc2ccc(=O)oc2c1 238785202 NHIDSXXOERZUAE-UHFFFAOYSA-N 352.298 3.406 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253674255 RWBGTUPTUTZUOU-DKWUNVIMSA-N 369.505 3.452 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596955 XSGHXHXTTQWRBC-JRQSSSKMSA-N 368.385 3.456 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1OCC[C@@H]1C 587867637 LSXXXCPCFGRIOW-LKFCYVNXSA-N 355.316 3.038 0 1 FGAF Cc1cc(C(F)F)nn1[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651632 NGTYFWKBUXRJKK-SECBINFHSA-N 366.755 3.394 0 1 FGAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587789516 DQDSUFHGBOIEMW-ANRSDYALSA-N 367.218 3.327 0 1 FGAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 587080950 VSYMHIYMQAOZCF-LBPRGKRZSA-N 369.812 3.122 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1F)O2 587386735 LYTMTGZXRVZGCG-BEFAXECRSA-N 364.417 3.260 0 1 FGAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c1 586933137 YDVWOTGUYWERBM-UHFFFAOYSA-N 370.459 3.357 0 1 FGAF N[C@H](N=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005433 IKBNKHWUUZWNEW-LLVKDONJSA-N 367.594 3.160 0 1 FGAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587141687 ADNRODRKNKUGKH-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF Fc1cc2c(c(Cc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c1)OCOC2 587170829 FPYZGDJLEYYBLD-UHFFFAOYSA-N 364.279 3.481 0 1 FGAF CCOC(=O)[C@@]1(CC(=O)C(F)F)NCCc2c(Cl)cc(Cl)cc21 963115653 ANNBKPKWCVQEPS-HNNXBMFYSA-N 366.191 3.122 0 1 FGAF COC(=O)[C@H](C)[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641806 SGXVIIVIHWFCAP-WGGBDISSSA-N 364.489 3.458 0 1 FGAF COc1cccc(CO)c1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772631365 QWWWIWYSDOQFFQ-INIZCTEOSA-N 368.389 3.153 0 1 FGAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(-c3ccccn3)[nH]2)cc1 169317579 DELRPYSQYIICCP-MRXNPFEDSA-N 366.465 3.267 0 1 FGAF CCCCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCC(=O)O 169622189 RZCPXIZGLPAGEV-XPTHDSNDSA-N 354.487 3.043 0 1 FGAF COc1cc(NN2CCOCC2)cc(-c2noc3ccccc23)c1OC 206032246 GOGSJFKEAGANJO-UHFFFAOYSA-N 355.394 3.171 0 3 FGAF CN(C)C1=N[C@@H](c2ccc3cc(OCc4ccccc4)ccc3c2)NC(=N)N1 1857642703 YPEVUCOZYOGAQU-FQEVSTJZSA-N 373.460 3.463 0 1 FGAF O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 627402 ZPASTVSIWVFWPZ-CVEARBPZSA-N 370.449 3.355 0 1 FGAF O=C(CN1CCC(O)(c2ccccc2)CC1)c1c[nH]c2ccc(O)cc12 103237158 INEIQXCEYQJKLK-UHFFFAOYSA-N 350.418 3.040 0 1 FGAF COCCCN1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 20386727 VXMLFDJYMONRCV-QFIPXVFZSA-N 372.509 3.319 0 1 FGAF CC[C@]1(C)C(=O)C[C@H](c2c(O)c(C)c(C)oc2=O)c2c1oc(C)c(C)c2=O 2356579948 IQOQYVAMVLWEDE-YEJXKQKISA-N 372.417 3.305 0 1 FGAF CCCCC[C@H](O)CCC=CC=CC=C[C@H](O)[C@@H](O)CCCC(=O)O 2356667534 WRFBDEURXXFJRY-FHWLQOOXSA-N 354.487 3.353 0 1 FGAF Cc1cc2c(cc1C)N1C(=O)c3cc4ccccc4cc3NC(=O)[C@H]1C(=O)N2 72139675 MENXDOQRBQWILT-IBGZPJMESA-N 371.396 3.376 0 3 FGAF COc1ccc(C2(C(=S)NCCCn3cnc(C)c3)CC2)cc1OC 45301513 GBHYUFOHFRLKRV-UHFFFAOYSA-N 359.495 3.248 0 1 FGAF CC(=O)N1Cc2c(ccc(Cl)c2-c2ccccc2)N2CCN(C)C[C@@H]2C1 40526200 JTXRMNMEBSPXOX-QGZVFWFLSA-N 369.896 3.490 0 1 FGAF CCNC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N 40566865 FRJKVUWQBIDDCS-UHFFFAOYSA-N 374.491 3.421 0 1 FGAF CN[C@@H]1[C@@H]2C=C[C@@]34[C@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@]3(C2)C[C@]42CCC[C@@H]12 85547441 FBFPTUVKXJCALB-SQGGDDTHSA-N 357.538 3.403 0 1 FGAF biogenic,in-vitro CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23CN4CCC[C@@]4(C[C@H]12)C(=O)N3 195346629 DXPVAKSJZFQGSS-MAODMQOUSA-N 369.896 3.378 0 1 FGAF CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3)n2)cc1 40916284 ZEENVKLFUBYYFB-UHFFFAOYSA-N 364.405 3.190 0 1 FGAF COc1ccc(/C(=C\N(C)C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430933 WRIMLIVKMLJGHE-IREPUGMYSA-N 365.429 3.423 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(C)cc32)N1 587761760 VTEMCMLQWBYTPT-BMLIUANNSA-N 364.262 3.436 0 1 FGAF COc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(Cl)n1 587083690 GLCYBPZSSBEBIO-UHFFFAOYSA-N 358.829 3.119 0 1 FGAF Fc1cncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587177059 MVTQTNPRMANLOW-UHFFFAOYSA-N 374.544 3.417 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2cc(F)ccc21 587470764 INHVCGHDNDMTQM-FQEVSTJZSA-N 355.365 3.321 0 1 FGAF CCOC(=O)Cc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924456 QJCRLOMBBBXFKF-ZHACJKMWSA-N 370.430 3.113 0 1 FGAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)c2ccsc2CCN1C(N)=O 962709488 QTPODBSNZRVZMT-YJBOKZPZSA-N 350.484 3.270 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccnc1)C1CCOCC1 963636407 QSHUPTYANMNCJJ-OYHNWAKOSA-N 368.477 3.303 0 1 FGAF Cc1oc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963034432 RIUMQEYVHSEYAJ-BTDLBPIBSA-N 361.239 3.493 0 1 FGAF CSc1nc(NC(C)C)c2c(n1)Sc1nc3ccccc3n1[C@@H]2O 5800897 OWOZJUCMIJUISZ-CQSZACIVSA-N 359.480 3.372 0 1 FGAF CC(C)c1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12 11536190 MVDAJCXOQBRPQC-UHFFFAOYSA-N 352.799 3.126 0 1 FGAF C[C@H](NC(=O)c1cccn1C)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356488889 CNADYYXECCIEEW-JTQLQIEISA-N 357.341 3.008 0 1 FGAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207574 VSAJFQHZRSCLBV-WBVHZDCISA-N 362.813 3.178 0 1 FGAF CC(C)(O)/C=C/c1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 59735693 IOJDDCZZTXEPMG-AATRIKPKSA-N 370.357 3.067 0 1 FGAF COc1ccccc1-c1cc2nc(NCCN)c3ncc(C)n3c2s1 28950720 RLCPBKCEKJBRTQ-UHFFFAOYSA-N 353.451 3.299 0 1 FGAF COc1cccc2c1O[C@H](CNCCc1c[nH]c3ccc(F)cc13)CN2 28571236 BTAAVEHAAOAINP-OAHLLOKOSA-N 355.413 3.321 0 1 FGAF CC(=O)O[C@]1(C)CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCC(=O)O 2356501855 OZPCMTCOECGYQW-HLULTAIVSA-N 354.443 3.480 0 1 FGAF O=C(O)c1cc(=O)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2 29306912 TYXZHAQWGKNGBN-UHFFFAOYSA-N 357.749 3.130 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@H]4[C@@H](C2)N(C)CC[C@@]314 100800686 ISCBIDVJEHJCIE-BTFILBGASA-N 355.478 3.206 0 1 FGAF COc1ccc(C2=C(O)[C@H](O)c3cc(OC)c(OC)cc3O2)cc1OC 103579968 JRYNOEBZHZTPOT-QGZVFWFLSA-N 360.362 3.074 0 1 FGAF biogenic,in-vitro Nc1nc(N)c2c3c(oc2n1)CN(Cc1ccc(Cl)cc1Cl)CC3 29209201 GUXRAMSKYHJDIN-UHFFFAOYSA-N 364.236 3.252 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 2356524486 GMMMHCGITFKMDB-WOJBJXKFSA-N 356.510 3.277 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@]3(CC[C@@H]12)C[C@H]4CO 2356593479 LMHAUQDUAZPPMU-ULXBPAFOSA-N 350.499 3.152 0 1 FGAF COc1ccc(N2C(=O)[C@H](C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 66258630 MSPAKPUUAIDJIT-ADLMAVQZSA-N 373.405 3.151 0 1 FGAF O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1ccccc1)CC2 34640751 OVUVHMKJQLPYDR-UHFFFAOYSA-N 352.365 3.064 0 1 FGAF CCc1ccc([C@@H]2CN3C(=O)CNC(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2130248 BDOLZUDTDNAFKZ-GAJHUEQPSA-N 373.456 3.049 0 1 FGAF biogenic CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O 71329426 CJMVJEMHSLDPMO-QGZVFWFLSA-N 351.425 3.221 0 1 FGAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N(C)CCNC)cc1 38322616 AWOVUCXRNCPPEA-OAQYLSRUSA-N 353.510 3.409 0 1 FGAF O=C1[C@@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCc1ccccc1 40979809 QJEACQHAHYCTJN-DLBZAZTESA-N 370.250 3.398 0 1 FGAF CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4ccccn4)n3)cc2n1C 144303236 QBDJQQSEYMENTM-UHFFFAOYSA-N 372.432 3.476 0 1 FGAF CC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(F)c4)cc3[C@@H]21 95569429 PAWFNCKMXJFLIW-DUXKGJEZSA-N 354.425 3.213 0 1 FGAF CN1N=C[C@H]2C(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)=CC=C[C@H]21 299835450 WAIPIFZBMQMMTA-USXIJHARSA-N 370.428 3.097 0 1 FGAF O=C1CCc2cc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3cc2N1 587165156 KZFCIAUTKBXVCZ-UHFFFAOYSA-N 361.380 3.499 0 1 FGAF N[C@@H](CP(=O)(O)O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586920382 PELNDVXZIGDVLJ-JTQLQIEISA-N 374.362 3.017 0 1 FGAF CCN1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587580869 FFXDYWQRLJYESZ-GHTZIAJQSA-N 353.418 3.454 0 1 FGAF N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1Cl 587059289 NREIRSJGQLMDJX-KRWDZBQOSA-N 370.884 3.291 0 1 FGAF COC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774765 XPVWOVQLZFCLIW-APPDUMDISA-N 365.246 3.407 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccccc1OC)[C@@H](C2)C3=O 587429852 BHXDCCRLIVOFFK-LHSJRXKWSA-N 362.385 3.378 0 1 FGAF COC(C)(OC)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587508544 AUEFRDRFJGCTGL-JNCYCUAHSA-N 359.466 3.354 0 1 FGAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1c(C)nn(C)c1C 587631416 BGGOTRSPWACURR-UHFFFAOYSA-N 363.776 3.328 0 1 FGAF COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1F 587164587 XBLUXCKKMHETEM-UHFFFAOYSA-N 370.359 3.128 0 1 FGAF COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508743 BIOFWYPPLFGQPZ-ZAVKOYKVSA-N 369.461 3.298 0 1 FGAF COc1cc(-c2nc3cccc(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587224666 POUKDKGCPBQSMF-UHFFFAOYSA-N 357.385 3.281 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(C)c1c[nH]c(C(=O)NC[C@@H]2CCCO2)c1 963010283 NAAGEFWMNSBDHA-YWZLYKJASA-N 373.522 3.011 0 1 FGAF Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N3CC3)c2n1 1772629075 KOBVQCIEJSCFEM-UHFFFAOYSA-N 366.440 3.300 0 1 FGAF CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C(=O)O)cc2)cc1 13835085 RUSRIBZOLVRTBV-CQSZACIVSA-N 361.463 3.483 0 1 FGAF O=c1n(CCCCNCCc2ccc3ccccc3c2)c(O)c2n1CCC2 169725355 QUJIOTKSUKNCSB-UHFFFAOYSA-N 365.477 3.067 0 1 FGAF CCC(/C=C/C(=O)N[C@H](C(=O)OC)C(C)C)=C\c1ccc2c(c1)OCO2 1857587259 WYKXUKNTZKUPGU-UJPDBLJWSA-N 359.422 3.079 0 1 FGAF CCOC(=O)N1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1 4056800 GDXRSRAOMKVRRT-UHFFFAOYSA-N 356.397 3.335 0 3 FGAF Cn1cc(C(=O)N2CCCC2)c(OCc2cccc(C(F)(F)F)c2)n1 103275014 ASILKESRWPLSHV-UHFFFAOYSA-N 353.344 3.254 0 1 FGAF COC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 103245424 HUMWYIFYDKTARE-KPKJPENVSA-N 365.433 3.227 0 1 FGAF COc1cccc2c1OC[C@H](NCc1cnn(-c3ccccc3F)c1)C2 20454677 CXKOSBMSFBNNMC-MRXNPFEDSA-N 353.397 3.113 0 1 FGAF COC(=O)c1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C 29047950 YETJKAJTUKZLDQ-UHFFFAOYSA-N 350.382 3.259 0 1 FGAF CN1CC[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)Cc3ccccc3)C[C@@H]1C2 36215680 IRLRCXSDYSNISD-TXTKFYIRSA-N 364.489 3.246 0 1 FGAF Cc1cc2nc(NCCCO)n(CC(=O)c3ccc(O)cc3)c2cc1C 45358383 UHLQMFZSDQFKOV-UHFFFAOYSA-N 353.422 3.036 0 1 FGAF CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82070150 AZFPUXOTLKFJRG-KRWDZBQOSA-N 357.454 3.321 0 1 FGAF Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O 40895148 BIPYJOQSCUNINC-KDXIVRHGSA-N 366.505 3.226 0 1 FGAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226037960 KLDKRPGZCSJCEY-JDFRZJQESA-N 374.387 3.441 0 1 FGAF CCOc1cc(-c2cc(=O)n3ncc(-c4ncc(C)o4)c3[nH]2)ccc1F 143641004 BQHQDEYVBMZGMV-UHFFFAOYSA-N 354.341 3.191 0 1 FGAF O=C(N1CCC(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95573091 TWEHBUVPUDVXNR-UHFFFAOYSA-N 364.808 3.343 0 1 FGAF CCOc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 473159158 WTOFYFCWHZDYLP-INIZCTEOSA-N 355.390 3.096 0 1 FGAF CCCNC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O 653713243 LESDOUYKHVFDCZ-UHFFFAOYSA-N 368.264 3.293 0 1 FGAF c1nc(-c2nnc3ccc(-c4ccc(N5CCOCC5)cc4)cn23)cs1 653663483 YTYURQBHMZOCHP-UHFFFAOYSA-N 363.446 3.356 0 1 FGAF FC(F)(F)c1ncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 587040494 HJSHGQCUFNOAGC-VXGBXAGGSA-N 365.384 3.270 0 1 FGAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586880767 BRJRGRHMQSDUHL-UHFFFAOYSA-N 361.401 3.376 0 1 FGAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN[C@H](C(=O)O)[C@H]41)-c1ccccc1C2=O 587097006 NJYKBVVJLAONBZ-DBLBYYFGSA-N 370.408 3.067 0 1 FGAF C[C@@]1(c2cccc(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531227 JUDRXYSREYFMQA-FQEVSTJZSA-N 371.458 3.093 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3nc(C)nn3c1C)CC2=O 587481524 GJFCUEJFPWBJFF-FQEVSTJZSA-N 366.421 3.280 0 1 FGAF Nc1ccnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997281 BLELIUOLQKUKBO-OWOJBTEDSA-N 359.183 3.202 0 1 FGAF NC(=O)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995737 NKFDPZNKZCDVEB-UHFFFAOYSA-N 359.227 3.079 0 1 FGAF NC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587332194 FNPJKUNUFKDEGF-JKPXSAOISA-N 369.392 3.305 0 1 FGAF COc1cncc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041469 CERQDSFZMCHMLA-ZDUSSCGKSA-N 360.826 3.275 0 1 FGAF Nc1ncnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587122087 JTFYJACGHUXEDC-UHFFFAOYSA-N 355.345 3.267 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587230888 JNJINWNIAUZHJP-VHSXEESVSA-N 371.268 3.301 0 1 FGAF Clc1nccnc1N1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 587085091 NUSHNJHQBDOBAP-UHFFFAOYSA-N 371.828 3.162 0 1 FGAF Cc1cc(O)nc(SC[C@@]2(C(C)(C)C)NCCc3c(C)ccnc32)n1 963069277 MABBDFYHDNWVIF-LJQANCHMSA-N 358.511 3.373 0 1 FGAF Cc1c(F)ccc2c1[C@@H](c1ncc(I)s1)NCC2 962299556 OMMMEACDGRFNCW-LBPRGKRZSA-N 374.222 3.430 0 1 FGAF COC(=O)c1c(C)[nH]c(C)c1[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618873 FARKMMGNGBKKGG-GIPWTMENSA-N 372.465 3.401 0 1 FGAF COc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc(OC)c1OC 13185743 OGEQXWNULZBVNK-UHFFFAOYSA-N 365.769 3.316 0 1 FGAF O=C(Nc1ccc(-c2n[nH]c(=O)c3cccn23)cc1)N1Cc2ccccc2C1 166903672 ASGOFYZSXRHCGE-UHFFFAOYSA-N 371.400 3.237 0 1 FGAF COc1ccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)nc1OC 204759294 AMFKEKUSTBMIEA-UHFFFAOYSA-N 353.407 3.348 0 1 FGAF COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1OC 1857648952 IHERAWRFEQQJKD-UHFFFAOYSA-N 351.786 3.041 0 1 FGAF COc1ccccc1-n1nc(C(=O)N2CCCCC2)c2ccccc2c1=O 2942787 AUVVIEMGNWOLFF-UHFFFAOYSA-N 363.417 3.020 0 1 FGAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@@H]3C[C@H]23)cc1 103201069 XVMITOBEQUYBIJ-SMDDNHRTSA-N 357.316 3.050 0 1 FGAF COc1cc(C[C@H]2NCCCc3cc4c(cc32)OCO4)cc(OC)c1OC 29544818 HIVKUXKVHRDNOA-MRXNPFEDSA-N 371.433 3.261 0 1 FGAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3ccoc3)C1)CC2 20776105 BTYMGWXKXPLQHU-LJQANCHMSA-N 356.466 3.320 0 1 FGAF COc1ccccc1Oc1cc(N(CCO)Cc2ccccc2)ncn1 82067312 PVIDFROOXREEBH-UHFFFAOYSA-N 351.406 3.276 0 1 FGAF CCOC(=O)c1cc(Cn2ccc(=O)c3ccc(C(F)(F)F)cc32)on1 40915922 RPMDLCAQSLZSCE-UHFFFAOYSA-N 366.295 3.233 0 1 FGAF COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(C)c(OC)c2)ccc1C 238788196 XZMJVNBHYBOCGF-PMACEKPBSA-N 358.478 3.323 0 1 FGAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccc(O)c3)ccc12 96905451 ZOIRKDRCVUSRIQ-IBGZPJMESA-N 352.415 3.321 0 1 FGAF CCNc1ncc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)cn1 96172836 HAGJULKAHPENJA-CQSZACIVSA-N 354.454 3.259 0 1 FGAF O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(F)cnc1N1CCCCC1 621432742 NTBAUDQHXSVYBI-UHFFFAOYSA-N 366.400 3.248 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)ccnc2[nH]1 587194046 KKACHFIINZNBKB-LLVKDONJSA-N 353.854 3.129 0 1 FGAF C[C@]1([C@]2(F)CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337951 WIVIEWXHHPFSRB-VDGAXYAQSA-N 374.339 3.304 0 1 FGAF CN(CCO)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587507089 RMRZKSVHNZJPQU-LJQANCHMSA-N 352.434 3.095 0 1 FGAF CC[C@@]1(c2ncnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345135 YLJXOPOKROPIBT-FXAWDEMLSA-N 367.380 3.324 0 1 FGAF CC[C@]1([C@@H](N=O)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743425 WOEZVGQSXFHNST-IIRLODAESA-N 373.222 3.036 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(=O)O)c3[nH]2)CCC(=O)CC1 587234609 ROEBIUUPUSWWPA-UHFFFAOYSA-N 373.409 3.124 0 1 FGAF CC(C)[C@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756738 FGHXVTCLVLMNCG-QFYYESIMSA-N 367.266 3.151 0 1 FGAF CCOC(=O)[C@@H](CC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522083 FVBNEFTXMYAIFM-UTKZUKDTSA-N 358.434 3.448 0 1 FGAF O=C(O)c1cc(F)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586997200 OTSKYTRUYHVENI-CYBMUJFWSA-N 365.158 3.244 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCn2cncn2)N1 587762696 ZNJWDFKPXFSGFV-BMIGLBTASA-N 353.239 3.019 0 1 FGAF Cc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c(C)n1 587111058 ADTJYGDBNXIBGA-UHFFFAOYSA-N 373.342 3.295 0 1 FGAF O=C1COc2cc3[nH]c(-c4c(F)c(F)c(S)c(F)c4F)nc3cc2N1 587135112 SKXAMHOSQSLBOU-UHFFFAOYSA-N 369.299 3.406 0 1 FGAF COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234664 SOIKUBLVFLRLIJ-UHFFFAOYSA-N 359.426 3.435 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)NCCc3c(C(=O)O)cccc32)C1 963129497 FTIHJXPKPZEMRF-LHSJRXKWSA-N 374.481 3.393 0 1 FGAF CCCOc1ccc([C@@H]2N=C(N)N=C(N)N2c2cccc(Cl)c2)cc1 13559324 KNQLUUYDCOXNAX-MRXNPFEDSA-N 357.845 3.277 0 1 FGAF O=C(Cc1ccc(Br)cc1)N1CCCC[C@H]1CN1CCCC1 13861044 FQMJNNUMEYMJCW-KRWDZBQOSA-N 365.315 3.469 0 1 FGAF CC(=O)Nc1cnc2nc(O)n([C@H]3CC[C@@H](C(C)(C)C)CC3)c(=O)c2c1 1857534613 JDPJJVQYOLBSON-XBXGTLAGSA-N 358.442 3.233 0 1 FGAF OCc1cccc(-c2csc(-c3cn([C@H]4CN5CCC4CC5)nn3)c2)c1 220715367 JVHJFYBIIBYKCI-IBGZPJMESA-N 366.490 3.433 0 1 FGAF CCCCC[C@H](O)c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 28869283 DQSXZOGBCINPCW-QUMINBJRSA-N 350.455 3.290 0 1 FGAF CC(=O)Nc1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)n1 59972336 IMIWIUDULMYEKK-HXUWFJFHSA-N 350.422 3.322 0 1 FGAF O=C(O)[C@@H]1CCCN(CC[S@@](=O)C(c2ccccc2)c2ccccc2)C1 28902770 IOBMHUWWMYDGBP-BCHFMIIMSA-N 371.502 3.321 0 1 FGAF CC(=O)N1N=C2/C(=C/c3cccnc3)CSC[C@H]2[C@H]1c1cccnc1 29245224 XCNCPBNOOUPZTL-YBFUFRCZSA-N 350.447 3.182 0 1 FGAF COc1cc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)cc(OC)c1 66138725 DQYCNHBELXAHGU-NJDAHSKKSA-N 356.418 3.278 0 1 FGAF Cc1ccnnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 28371711 NHVBQFRBOVAUSQ-UHFFFAOYSA-N 365.359 3.158 0 1 FGAF Cc1ccccc1SCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 29216088 YIMNJGMTEZDFCY-UHFFFAOYSA-N 353.495 3.473 0 1 FGAF COC(=O)C[C@]1(CC=C(C)CCC=C(C)C)C[C@H](O)[C@H](OC)CC1=O 2356561566 AEWXJAHAEHUTIT-QKLQHJQFSA-N 352.471 3.358 0 1 FGAF CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@@]1(O)c1ccccc1 2356755922 DRIVJEVMJVKUHC-FPOVZHCZSA-N 353.418 3.104 0 1 FGAF CC(=O)CCC=C(CO)CC[C@@H]1[C@@H](C(C)(C)O)CC[C@@]1(C)CC(=O)O 2356765830 RFCAZPGZLODABO-QKLQHJQFSA-N 354.487 3.333 0 1 FGAF CO[C@]1(C)CC[C@H](O)[C@@]2(C)CCC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@H]1O2 2356795903 MPOJJBAWHONZTN-XOPFUANDSA-N 364.482 3.452 0 1 FGAF COc1cccc(C2=N[C@@](C)(CC(=O)Nc3cccc(F)c3)ON2C)c1 74373620 USKADCQYWQTDBY-LJQANCHMSA-N 357.385 3.203 0 3 FGAF CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95877326 UOXJBICYQMZMNX-YTFSRNRJSA-N 364.489 3.125 0 1 FGAF Cc1cc(C[C@H]2COC[C@@H]2NCc2ccc(Br)s2)on1 299842152 JQYVPOQSWZQNSQ-GWCFXTLKSA-N 357.273 3.154 0 1 FGAF Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](OCc4cccnc4)[C@@H]3C2)cn1 299842172 KKOMQMAXQBVJCT-VAMGGRTRSA-N 351.450 3.243 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCC(O)CC3)cc1)O2 587396818 WIZALDLEPWYBMV-JOCHJYFZSA-N 366.461 3.419 0 1 FGAF Cc1ccc2c(ccc3[nH]c(-c4ccc(NS(C)(=O)=O)cc4)nc32)n1 586950221 CSRXLCYNAUZNPN-UHFFFAOYSA-N 352.419 3.458 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cnccn3)c1)CC2=O 587477927 WCYLIIBWIPGUNP-QGZVFWFLSA-N 350.378 3.027 0 1 FGAF COC(=O)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705711 NZKNSWVAPMHPRR-INWYIAFRSA-N 370.140 3.053 0 1 FGAF C=C1NC(=O)NC=C1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799458 XGMOPCPZYYNNKH-ZKANADHPSA-N 366.234 3.048 0 1 FGAF Cc1cc(C)c2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587202447 IHFJQBGMLQOXCP-INIZCTEOSA-N 367.405 3.102 0 1 FGAF CCOC(=O)CC[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587520903 BPSICJYTKHLPJX-OAQYLSRUSA-N 374.433 3.176 0 1 FGAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(=O)O)cc3[nH]2)cs1 587014694 WXBRXTYCARVEAS-UHFFFAOYSA-N 374.422 3.409 0 1 FGAF COc1ccc(CCCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC 587925386 NXHCZIRPJHTHBF-LJQANCHMSA-N 354.410 3.479 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885564 BSTJGLVUGIYTTA-QRWLVFNGSA-N 367.474 3.185 0 1 FGAF O=C(O)CCN(CCc1nc2cc(F)c(F)cc2[nH]1)Cc1ccccc1 587193777 POVXOWXPRAZBCD-UHFFFAOYSA-N 359.376 3.361 0 1 FGAF O=C1CS[C@H](c2ccc(Br)cc2)N1c1nnc(S)s1 1857760975 SHTOYDIRPMQICJ-SECBINFHSA-N 374.310 3.368 0 1 FGAF COc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1-c1cn[nH]c1 1772601875 GRLGITMOQAPTDO-UHFFFAOYSA-N 364.449 3.077 0 1 FGAF C[C@@H]1CC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1 1857646891 AWLUNBKNRADLNR-DOMZBBRYSA-N 358.388 3.302 0 1 FGAF Cn1ncc2c(Oc3ccc4c(c3)[nH]c(=Nc3ccccc3)n4C)ncnc21 1857759597 OEDXVYRXMGKUKD-UHFFFAOYSA-N 371.404 3.208 0 1 FGAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3nnnc3N2)cc1 2918172 QUJIBASAZIUATP-HOTGVXAUSA-N 373.363 3.429 0 1 FGAF CO[C@@H]1C[C@@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 2356332598 GLJYOQVDANSTQF-SVYJOGRQSA-N 352.386 3.115 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)Nc1cccnc1 100574341 QTDRDNOQHMFTSZ-LUVWLHFXSA-N 374.400 3.037 0 3 FGAF CC/N=c1\c(NS(=O)(=O)c2cc(C)cc(C)c2)c(O)oc2ccccc12 103673440 JVKQFGKXSVZFPX-JZJYNLBNSA-N 372.446 3.477 0 1 FGAF O=C1Cc2c(OCCN3CCc4ccccc4CC3)ccc(Cl)c2N1 26168677 DZAIXMOGMCWKEV-UHFFFAOYSA-N 356.853 3.314 0 1 FGAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C(N)=O)CS2)cc1 66260112 OGIHLRJSKZUSKH-FXAWDEMLSA-N 364.474 3.037 0 1 FGAF COc1ccc([C@H]2CC(=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 61942696 FGDCTTNMGPBIPZ-LJQANCHMSA-N 359.447 3.099 0 3 FGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccccc1 82203342 BEATVLQFOHQYSR-UHFFFAOYSA-N 360.465 3.119 0 1 FGAF COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)O)sc(C)c1C 195394953 CTESPVHSEOQRTH-RFHZTLPTSA-N 363.435 3.003 0 1 FGAF CC(=O)Nc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95554146 LSTAFTJPZZWDHE-OALUTQOASA-N 374.444 3.259 0 1 FGAF CN(C)C(=O)c1ccccc1NC(=O)c1cccnc1N1CCCCC1 621431807 NXXNRJOCHAUWDJ-UHFFFAOYSA-N 352.438 3.026 0 1 FGAF COc1nccc(N2CCC(N(C)Cc3c(F)cccc3Cl)CC2)n1 299865521 UDSYLKLEJOCDLE-UHFFFAOYSA-N 364.852 3.379 0 1 FGAF CC(C)c1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O 299877317 HAOWMRDZBCRGTM-FZKQIMNGSA-N 352.438 3.412 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cncc(Cl)c4[nH]3)cc12 587037499 JLWKOBZNSXDOSQ-MRVPVSSYSA-N 374.857 3.359 0 1 FGAF CC(=O)[C@@H]1C(=O)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587816724 CANJKVSBYJNDPT-XQJGPMGFSA-N 368.246 3.276 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1)(c1cccc(F)c1)O2 587386423 YCSOLGSMYWTPDE-HXUWFJFHSA-N 351.381 3.474 0 1 FGAF O=[S@@](CCCc1nc2cnccc2[nH]1)c1ccc(Br)cc1 586959767 MCTYOKNJZBAVIQ-NRFANRHFSA-N 364.268 3.461 0 1 FGAF O=C1CCc2cc3[nH]c(-c4ccc(F)c(Br)n4)nc3cc2N1 587156144 WNBXTOJZVBSBAJ-UHFFFAOYSA-N 361.174 3.411 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc3ncccc3c2[nH]1 587229485 BBPMNIUEBRGVDV-KGLIPLIRSA-N 352.438 3.148 0 1 FGAF COc1ccc(-n2ccnc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432246 VFKOOHBHGDXQKM-OXQOHEQNSA-N 362.385 3.378 0 1 FGAF Oc1nc(O)c2ccc(-c3cnc(Nc4ccc(Cl)cn4)s3)nc2n1 587564103 OFFJZEMPCLHSDE-UHFFFAOYSA-N 372.797 3.352 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)c(F)cc2[nH]1 587256138 BLJJCSZQXKLLCS-SNVBAGLBSA-N 372.238 3.066 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(=O)OC)noc1C)CC2=O 587483305 LTPQNYUCXKMPGH-LJQANCHMSA-N 359.378 3.308 0 1 FGAF CCOC(=O)[C@]1(c2cnn(CC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517516 OUUAOEZUWCVANQ-OAQYLSRUSA-N 368.433 3.206 0 1 FGAF O=C([C@@H]1CCCN(c2ncccn2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587874905 FGELUQQAJMQRQT-GFCCVEGCSA-N 365.368 3.142 0 1 FGAF Cc1nc(Br)sc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587013709 BLZJDVNRHGRRQK-UHFFFAOYSA-N 350.201 3.339 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cnn(C)c1)CC2=O 587474706 HBLHQPDZPZOLRK-GDCKJWNLSA-N 355.438 3.014 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1cnn(CC(F)(F)F)c1)N(C)[C@@H](C)C2 962633081 SIXOMNHXDKETII-MEDUHNTESA-N 369.387 3.428 0 1 FGAF CCN1C[C@@H]2CCC[C@H](C1)C21c2c(Cl)ccc3c2CCN1[C@H]3C(=O)O 962570154 HYBGIZITFWYLTH-VWSYKBSYSA-N 360.885 3.285 0 1 FGAF Cc1ccc(OC2CN([C@@H](C)c3nc(O)c4cnn(C(C)C)c4n3)C2)cc1 1772642857 WFAYHUYBSMWTJA-AWEZNQCLSA-N 367.453 3.245 0 1 FGAF CCn1nc(C)cc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 11816699 CTHQLJXBBHDYIZ-KRWDZBQOSA-N 358.461 3.087 0 3 FGAF COc1ccc(C2=NNC(=O)[C@@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 13474146 NMGSQEBMRHQDOG-DZGCQCFKSA-N 352.434 3.359 0 1 FGAF N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1 13561245 TZEHYYIAYWKDLU-QFIPXVFZSA-N 365.521 3.419 0 1 FGAF CCCCCCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169304283 RWBGTUPTUTZUOU-QHHVFILISA-N 369.505 3.452 0 1 FGAF C[C@H](N=O)c1cnc2nnn([C@H](C)c3c(F)cc4ncccc4c3F)c2n1 169694297 DRYLGEUQKOWFAZ-DTWKUNHWSA-N 369.335 3.484 0 1 FGAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CC1 206117318 NDQPAYWKSVOGPA-UHFFFAOYSA-N 365.412 3.323 0 1 FGAF COC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204419457 WAUBHFWCPAMTQD-ZDUSSCGKSA-N 358.335 3.003 0 1 FGAF Cc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1 1136262 RBQWPZZOSRJEKA-UHFFFAOYSA-N 371.418 3.060 0 3 FGAF CCCNC(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61926487 JKCGAHRNCVAMIS-JOCHJYFZSA-N 350.462 3.413 0 3 FGAF C[C@@H](c1ccccc1)c1nc(O)c(O)c(C(=O)NCC2CCCCC2)n1 1911584729 MDSZYJZWXRYDRE-ZDUSSCGKSA-N 355.438 3.350 0 1 FGAF COc1ccc2c(c1)c([C@@H]1CCN(C)C1)cn2S(=O)(=O)c1ccccc1 72176895 RWJGYVBFADNMBK-OAHLLOKOSA-N 370.474 3.306 0 1 FGAF COc1cc(OC)c2c(CO)c(-c3ccc(OC)c(O)c3OC)oc2c1 15117907 SQHIQBUKBJSGPO-UHFFFAOYSA-N 360.362 3.332 0 1 FGAF biogenic Nc1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)cn1 220902905 ZBPLYOPNEHLDKS-UHFFFAOYSA-N 350.213 3.444 0 1 FGAF O=C1CO[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 45358213 LTLKUWXGZAKLNP-HNNXBMFYSA-N 366.200 3.370 0 1 FGAF CC[C@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 82146126 BEDZQSUCXXIEKB-HNNXBMFYSA-N 356.470 3.429 0 1 FGAF Cc1cccc(CN2[C@H](COC(=O)Nc3ccccc3)C=CS2(=O)=O)c1 95603082 UBWCOUJNTTWXOH-SFHVURJKSA-N 372.446 3.271 0 3 FGAF C[C@@H](N)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 144993816 GMDSTVTWCURGLX-LLVKDONJSA-N 352.442 3.250 0 1 FGAF COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 238777852 BCCJQPBCOKOJHR-NMIHRBCNSA-N 368.477 3.064 0 1 FGAF CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1 143422846 LPNHMIIJQRPWIS-UHFFFAOYSA-N 350.426 3.232 0 1 FGAF C/C=C(/C)C(=O)OCOC/C=C/c1cc(OC)c(OC(C)=O)c(OC)c1 238769451 KFXQGQPYRLXSLU-FCMXZFRVSA-N 364.394 3.126 0 1 FGAF CCC(=O)[C@@H]1O[C@](O)(CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@@H]12 31164776 LMVJVYFIOXLTDX-ACZWYYKOSA-N 350.455 3.149 0 1 FGAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nc2)N1 587773278 QCDMZTCBMGAMIZ-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(Cl)nc2[nH]cnc12 587871122 OEUDFKBDHVQNHH-UHFFFAOYSA-N 358.764 3.397 0 1 FGAF Cc1c(Br)cnc2[nH]c(CSc3nnc(S)s3)nc12 587025892 SIVFTUPPBUOFMO-UHFFFAOYSA-N 374.314 3.461 0 1 FGAF O=C(c1cc(C2CC2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662183 WPMKKIGVYNKHEY-UHFFFAOYSA-N 374.375 3.492 0 1 FGAF Cc1cc(C)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 586924890 BZEMRMMKXGBHCE-UHFFFAOYSA-N 356.447 3.399 0 1 FGAF CC1=C(c2ccc3[nH]c(C(=O)CCc4ccccc4)nc3c2)NNC(=O)C1 587954377 RJPUXYJEVWFLCR-UHFFFAOYSA-N 360.417 3.134 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)n2cncn2)N1 587756803 FLZLSBMQGFYDMW-QFYYESIMSA-N 367.266 3.364 0 1 FGAF Cn1c(=O)n(C)c2cc([C@]3(C)c4c(F)cccc4C[C@H]4CCCN43)ccc21 963103780 OBDCPSLFYJYQPV-OPAMFIHVSA-N 365.452 3.300 0 1 FGAF Cc1cc2c(cc1O)[C@@](CCOc1ccccc1)(C1CC1)N[C@H](C(=O)O)C2 963550049 JUMXGRFVYUFUAD-SIKLNZKXSA-N 367.445 3.374 0 1 FGAF COc1ccc2c(c1OC)[C@@H](c1cnn(CC(F)(F)F)c1)N(C)[C@H](C)C2 962633076 SIXOMNHXDKETII-BDJLRTHQSA-N 369.387 3.428 0 1 FGAF CC[C@H](NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(OC)cc1 1772605129 YIZVLPNASGZEPC-SFHVURJKSA-N 350.422 3.496 0 1 FGAF CN1CCN(c2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1 1772627796 KFSXMVWWKILIMR-UHFFFAOYSA-N 354.479 3.244 0 1 FGAF Cc1ccc(N2CC(=O)N(S(=O)(=O)c3ccc(C)c(C)c3)C2=O)cc1C 13763644 RHYKGYBIOCNWTQ-UHFFFAOYSA-N 372.446 3.078 0 1 FGAF CC(C)Oc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 15669045 RGACQQSFQGCZQG-UHFFFAOYSA-N 353.426 3.108 0 1 FGAF O=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccc(F)cc2)CC1 1857570245 NOQWHMKAQIBTLR-UHFFFAOYSA-N 354.385 3.299 0 1 FGAF C[C@@H](N=c1nc(-c2cccc(Cl)c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857654119 MUAWGTSYRLJHHM-VXGBXAGGSA-N 357.889 3.457 0 1 FGAF COc1cc(-c2cnc3c(N4CCOC[C@@H]4C)snc3c2)ccc1N 1857747773 GJLUDXYDEJXFQH-NSHDSACASA-N 356.451 3.174 0 1 FGAF O=c1c2ccccc2nc(CSC2=NCCN2)n1-c1ccccc1Cl 1849314 PRZUEPMUTWOJIH-UHFFFAOYSA-N 370.865 3.232 0 1 FGAF COc1c(O)ccc2c1C[C@H](C(C)(C)O)[C@H]2CC(=O)c1ccc(O)cc1O 2356398640 YDZGKRLTKOOVRI-HOCLYGCPSA-N 372.417 3.112 0 1 FGAF CCN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2 101633466 VEIDKIPDKMIJHI-QZTJIDSGSA-N 367.493 3.328 0 1 FGAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4ncccc4C)c3[C@@H]2C1 116942107 VZHXSJJDXKRQMN-CJNGLKHVSA-N 366.421 3.340 0 1 FGAF CCNC(=O)[C@@]1(C)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 61907303 YVYLBBZOPMJCOH-QFIPXVFZSA-N 350.462 3.193 0 3 FGAF Cc1ccc(CN2CCN([C@@H]3CCc4ccccc4N(C)C3=O)CC2)cc1 26248946 OIUKKROQEBASAU-JOCHJYFZSA-N 363.505 3.090 0 1 FGAF CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 118577991 RFXCQMPYISFHBQ-IBGZPJMESA-N 373.840 3.162 0 1 FGAF CCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1 36184810 WZZQANZKVKNNEP-UHFFFAOYSA-N 358.282 3.403 0 1 FGAF O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccccc1 73240010 OXDQXUFKXAIMOP-UHFFFAOYSA-N 365.820 3.429 0 1 FGAF COc1cc(OC)nc(Sc2cccc(Br)c2C(=O)O)n1 78102087 JZAAFTATFMWHFQ-UHFFFAOYSA-N 371.212 3.106 0 1 FGAF C[C@H](COC(=O)[C@H](C)c1ccc(C(=O)c2cccs2)cc1)O[N+](=O)[O-] 40974374 SNGYIJXVPYURDI-VXGBXAGGSA-N 363.391 3.223 0 1 FGAF COc1ccc(/C=C/C(=O)OCc2nc(C)c(C)nc2C)c(OC)c1OC 653717497 ZDFSUABIPBSPDS-CSKARUKUSA-N 372.421 3.184 0 1 FGAF CC[C@]1([C@@H](F)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587723816 XZUBQWZXHNOUGB-IIRLODAESA-N 362.214 3.239 0 1 FGAF COC(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2n1 586979824 WIRZFORKZROUOS-UHFFFAOYSA-N 361.199 3.186 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)cnc(Cl)c2[nH]1 587223715 DOXXENQEZPDNNF-SECBINFHSA-N 365.220 3.348 0 1 FGAF O=C(O)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587612409 UYGZRIKWPUUZFS-RRBXVBTKSA-N 354.358 3.367 0 1 FGAF COc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1F 587651071 BCQAJWGAYLQDMW-UHFFFAOYSA-N 363.801 3.443 0 1 FGAF NC(=O)Nc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587241399 CCLLXXISKGZGIA-UHFFFAOYSA-N 356.695 3.134 0 1 FGAF CCOC(=O)Cc1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 586907088 KBLQAPYEEIQQIX-ZDUSSCGKSA-N 352.390 3.249 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(c1)OCO3)O2 587410169 VRLPPOSRJHMDIB-FKIZINRSSA-N 355.390 3.497 0 1 FGAF Cc1cc2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c(C)n1 587203471 QMUVNOAATDAUMF-OAHLLOKOSA-N 368.393 3.017 0 1 FGAF O=C(N[C@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587202146 GBGSMDPBQBTOIG-CQSZACIVSA-N 373.796 3.138 0 1 FGAF CC1(C)OCC2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356841 RQSDGJKQCYJRBJ-KRWDZBQOSA-N 358.365 3.412 0 1 FGAF CO[C@@H](C)COC1CCC(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 587952356 PMGXORJTSLPKKF-ZBOXLXRLSA-N 350.390 3.478 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)s1)O2 587411734 VCPZWHKFUDKSAN-LJQANCHMSA-N 358.463 3.356 0 1 FGAF CCN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348369 WKBFLUMYESTFNS-TZIWHRDSSA-N 369.392 3.271 0 1 FGAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 587174518 QFLDIUOUIMEFMW-LJQANCHMSA-N 353.397 3.210 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cn1 587247894 WXHCKQGNVAFUGR-UHFFFAOYSA-N 356.357 3.447 0 1 FGAF COc1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1OC 587927280 RTLXECWPOMJPAF-UHFFFAOYSA-N 367.449 3.003 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3C)N1 587761008 SAPKVSRYHFTJFG-BTDLBPIBSA-N 364.262 3.436 0 1 FGAF FC(F)(F)[C@@]1(c2ccc3c(c2)CCO3)NCCc2nc3ccccn3c21 962992028 WQUPLFTWXOWATL-SFHVURJKSA-N 359.351 3.221 0 1 FGAF CS(=O)(=O)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cn1 963115709 AOVCIGZYLQJQRX-HNNXBMFYSA-N 357.262 3.027 0 1 FGAF O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1)c1cc[nH]n1 1772603409 ROEXTDRETXPFBA-HDJSIYSDSA-N 368.412 3.465 0 1 FGAF CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1C1CCCCC1 12478597 MUFMKNWFIPVOLJ-HNNXBMFYSA-N 355.431 3.157 0 3 FGAF C/C(=C\Cc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 13380855 WTAGIHGECXTWAX-ZDEPZWJASA-N 368.385 3.212 0 1 FGAF CN1CCN(c2ccc3onc(-c4cc(Cl)c(O)cc4O)c3c2)CC1 14974440 XSYKTRYXGUZLBT-UHFFFAOYSA-N 359.813 3.311 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@@]314 169295030 HZCJHCKFTKJLFP-AHWCRGGASA-N 353.462 3.104 0 1 FGAF CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O 2356343576 SGMQQYJUDLVNTG-ZHYXMNDGSA-N 361.394 3.249 0 1 FGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]2N3)cc1 100108542 OZLFPTWUGOWJAU-YSFKJANTSA-N 368.502 3.157 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc(OCc3nc4ccccc4o3)cc2)S1 26578731 SQWNJVRCRCZMOH-HNNXBMFYSA-N 354.387 3.301 0 1 FGAF COc1cc2c(cc1OC)[C@@H](C)N(C[C@H](O)COc1ccccc1)CC2 2124576 OZNLOODEISPZDJ-WBVHZDCISA-N 357.450 3.063 0 1 FGAF biogenic CNc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc12 210841934 RIBJTISRZQKZRV-DOTOQJQBSA-N 366.425 3.041 0 1 FGAF CCc1ccc(NS(=O)(=O)c2ccc3c(c2)S[C@H](C)C(=O)N3)cc1 34145543 UPDIUOTZAIMKEP-LLVKDONJSA-N 362.476 3.483 0 1 FGAF COc1cc2c(cc1O)C(=O)[C@@H]1c3cc(OC)c(OC)c(OC)c3CC[C@H]21 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LTJSGAFHGXLWCG-UHFFFAOYSA-N 364.789 3.151 0 1 FGAF COC(=O)c1ccoc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615769 HEZAHEPVGUIYCS-BEFAXECRSA-N 366.325 3.475 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1CC3 587106639 MNSBNJYFMLIIHU-YDZGXFTCSA-N 370.408 3.149 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587434572 AUSBHEKEDPMXFG-CGSMKXTHSA-N 373.449 3.458 0 1 FGAF FC(F)c1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cnc2ncnn12 587128753 QCYAKNVIBMIOOL-UHFFFAOYSA-N 356.123 3.307 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN(C)C)c1)[C@@H](C2)C3=O 587427687 FCPJEWUEWGZQNB-KKSFZXQISA-N 353.418 3.254 0 1 FGAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587402425 CPMBYDHBQFDZIC-GTJPDFRWSA-N 367.401 3.409 0 1 FGAF Nc1ccc(-c2cc(O)n(-c3n[nH]c(-c4ccccc4F)n3)c2O)cc1 587946295 UDKSTRRTPPFASP-UHFFFAOYSA-N 351.341 3.062 0 1 FGAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OC(C)(C)C 587198245 VLZFDNHLQYBDLL-MRXNPFEDSA-N 374.441 3.458 0 1 FGAF 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CCOC(=O)c1c(C)c(-c2ccccc2)n2c(=O)n(-c3ccccc3)nnc12 1862654 GTHFSDQKTBMTAB-UHFFFAOYSA-N 374.400 3.032 0 1 FGAF COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F 6484076 KMIKBHPGALQZDC-UHFFFAOYSA-N 353.781 3.256 0 1 FGAF O=S(=O)(c1ccccc1)c1c(C2=NCCN2)[nH]c2ccc(Cl)cc12 6581572 APPCBFIMNYYQRC-UHFFFAOYSA-N 359.838 3.004 0 1 FGAF O=c1[nH][nH]c2nc(CN3CCC(c4ccccc4)CC3)nc3cccc1c32 59298643 FVVHMELKDLAXEM-UHFFFAOYSA-N 359.433 3.179 0 1 FGAF C[C@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 28824012 NRFWFEMHRJCYJM-KRWDZBQOSA-N 363.461 3.285 0 1 FGAF COc1cc(OC)nc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 61926974 SEUWCOWHKYZRHU-ZDUSSCGKSA-N 371.466 3.327 0 3 FGAF CC(C)(C)OC(=O)NCCc1onc(-c2ccccc2F)c1C(=O)O 61920899 BJFBUXGCJLBGEZ-UHFFFAOYSA-N 350.346 3.246 0 3 FGAF C[C@]1(O)CCN(CC2CC2)[C@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356477995 OYLNTXTUFZDPQX-HBFSDRIKSA-N 362.539 3.331 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@]1(C)C(=O)C[C@H](C)[C@]2(C)CCC1=CC(=O)OC1 2356610429 JIQFBMQXZGTZHF-PWILTOICSA-N 360.450 3.381 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1cc(F)c(F)cc1F 2356619118 TZPTUAWEUAEZGN-ACJLOTCBSA-N 354.416 3.369 0 1 FGAF Cc1ccc(CS(=O)(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 20723627 IIKNPOQDTIJQEH-LZLYRXPVSA-N 351.512 3.241 0 1 FGAF CC[C@H]1COCCN1c1cc(OC(C)C)c2ccnc(-c3cc[nH]n3)c2n1 1911570595 ONZBXIROSTXXKV-AWEZNQCLSA-N 367.453 3.422 0 1 FGAF Cc1cc(C)c(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1C 45368662 IZCPNKDVZIURPJ-UHFFFAOYSA-N 364.854 3.454 0 1 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Oc1ccc(F)cc1Cl 40863010 FDEJSJRQNJWXCW-AWEZNQCLSA-N 362.806 3.230 0 1 FGAF COc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1[C@@H](O)CO 40836389 HXBDGFIEYVMMIQ-INIZCTEOSA-N 360.797 3.108 0 1 FGAF CNc1nc(NCCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 82132108 VRYOZLYVQDCDEG-UHFFFAOYSA-N 356.401 3.482 0 1 FGAF Cc1ccc2nc([C@@H]3C[C@@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1 143003676 KLBYQGDDYSIOLY-LSDHHAIUSA-N 359.437 3.438 0 1 FGAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(CC)cc12 96908243 RCICCLVZETTYAJ-UHFFFAOYSA-N 358.486 3.311 0 1 FGAF CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565488 LYKBEBOIQYIUIF-LBPRGKRZSA-N 362.779 3.374 0 1 FGAF CN1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95877041 DFXXWLCMZUFDSQ-VSKRKVRLSA-N 354.469 3.347 0 1 FGAF COc1cc(OC)cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)c1 238788598 MGDNKOAMJCAUJL-ZCLUNYJNSA-N 372.417 3.493 0 1 FGAF Cn1c(CN2C[C@@H]3[C@H](COc4cccc(Cl)c4)[C@@H]3C2)nc2ncccc21 253664838 GOWBAICYKZUMDP-BJWYYQGGSA-N 368.868 3.379 0 1 FGAF Cc1ccc(N(O)C(=O)NCCCCNC(=O)N(O)c2ccccc2)cc1 68586838 QDIVDODILVWLSE-UHFFFAOYSA-N 372.425 3.286 0 1 FGAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2CCF)N1 587716160 IPECBALGSMGZGO-RFAUZJTJSA-N 356.214 3.378 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2cncc(Br)c2[nH]1 586922675 RANNCUAKKBMRKF-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF N[C@H](N=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164997 HWAIEDXHFZWDQN-GOSISDBHSA-N 350.357 3.338 0 1 FGAF CC[C@@H](C)n1ncc(I)c1-c1nc2ncccc2[nH]1 587181060 MLKXZWFDKQLIIO-MRVPVSSYSA-N 367.194 3.397 0 1 FGAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587778065 IOEUYOIJBPRBHU-UHFFFAOYSA-N 362.407 3.274 0 1 FGAF CCOC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587738569 BHJDSPZYLDIJAK-ZBVHDKTDSA-N 373.222 3.036 0 1 FGAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587763097 HYDPUFBDCAUEMQ-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(Cc3cccc(Cl)c3C2)N1 963227144 MOKQHJDYEQBGEZ-CTNGQTDRSA-N 364.832 3.481 0 1 FGAF COC(=O)Nc1noc2cc(-c3c(-c4cnccn4)n[nH]c3C)ccc12 1772573875 PPKOQEGILFTDTG-UHFFFAOYSA-N 350.338 3.162 0 1 FGAF COc1ccc(-c2n[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772629986 VKSAFWMGHLRPKU-UHFFFAOYSA-N 356.378 3.484 0 1 FGAF CNc1ccccc1C[S@](=O)c1nc2c(n1-c1ncccc1C)CCC2 13746210 WLWLXQOUGITLBA-AREMUKBSSA-N 366.490 3.414 0 1 FGAF COc1ccc2c(c1)O[C@H]1c3cc(OC)c(OC)cc3CO[C@H]1[C@@H]2OC 14638429 BDULBNWZNXYQBG-AABGKKOBSA-N 358.390 3.432 0 1 FGAF O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166682200 CAJNGWRFRUQWOZ-LJQANCHMSA-N 365.433 3.143 0 1 FGAF Cc1ccc2c(c1)N(CCCC(=O)NCc1c(F)cccc1F)C(=O)CO2 203474500 FPDUZMLIQVFCGM-UHFFFAOYSA-N 374.387 3.095 0 3 FGAF COc1cccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2)c1 205379336 ZHRNRICAIZAPSK-SFHVURJKSA-N 352.390 3.067 0 1 FGAF Brc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 1857595043 GVAQPXQDCKEMER-LBPRGKRZSA-N 353.216 3.147 0 1 FGAF CN1CCC[C@@]2(CCCN(C(=O)c3cccc(Br)c3)C2)C1 1271497292 NFFOSMDFLKZAGB-QGZVFWFLSA-N 351.288 3.397 0 1 FGAF Cc1ccc([C@@H](OC[C@@H](O)CN2CCCC[C@@H]2CO)c2ccccc2)cc1 2625195 JIYCCBNQEPXSNK-VJBWXMMDSA-N 369.505 3.309 0 1 FGAF CNC[C@@H](O)c1ccc(O)c2c1C[C@@H](Cc1cccnc1)CC(C)(C)C2 2356355353 FDUJUSPEIBLQCP-IIBYNOLFSA-N 354.494 3.414 0 1 FGAF COc1ccc([C@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)c(OC)c1 103282661 DVRJAILEZOMINM-QUCCMNQESA-N 355.434 3.176 0 1 FGAF CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103182950 HDOXPFGMSJXHFG-UHFFFAOYSA-N 354.454 3.492 0 1 FGAF O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCO4)csc12 101661925 PCLZLYDTFKLLNN-UHFFFAOYSA-N 357.387 3.087 0 1 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@@H]1c1ccc(OC)c(OC)c1 102740483 DWRNGVRNMLCPKO-IBOXJLQUSA-N 358.398 3.105 0 1 FGAF Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H]([18F])C2)cc1 101509596 RECBFDWSXWAXHY-CABYTMRRSA-N 357.420 3.194 0 1 FGAF CCCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103204821 NBTTXTORWPUYNU-WFASDCNBSA-N 368.865 3.337 0 1 FGAF Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4CCc4cccc2c43)no1 100658579 IFWCIVGXSJLUGE-SFHVURJKSA-N 359.385 3.482 0 1 FGAF O=C(Cc1ccc(CN2CCCC2)cc1)OC[C@H]1COc2ccccc2O1 26503261 BIDISVPHVQYWLL-LJQANCHMSA-N 367.445 3.208 0 1 FGAF COc1ccc2ccc(=O)oc2c1C=C[C@H](CO)COC(=O)CC(C)C 2356467964 LPBBOCMPCDPSPZ-CQSZACIVSA-N 360.406 3.013 0 1 FGAF COc1cc(OC)c(C[C@H](Cc2ccc(O)c(OC)c2)OC)c(OC)c1 2356617885 VXOTURNUCJNHEU-AWEZNQCLSA-N 362.422 3.227 0 1 FGAF CC(=O)CCC=C(CO)CC[C@@H]1[C@H](C(C)(C)O)CC[C@@]1(C)CC(=O)O 2356765828 RFCAZPGZLODABO-HLIPFELVSA-N 354.487 3.333 0 1 FGAF COc1cc2c(c3c1OCO3)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@@H](C)C2 14488379 KCYVBPCJWBVYJQ-QSRBQVKKSA-N 370.401 3.217 0 1 FGAF biogenic Cc1n[nH]c(C)c1-c1nc(NC[C@@H](C)N)c2c3c(sc2n1)CCCC3 223691422 YJWQCLCDKGEBKY-SECBINFHSA-N 356.499 3.336 0 1 FGAF CCCc1nc(C)c2c(NC(=O)NC(C)C)nc3ccc(OC)nc3n12 49112939 RZPUOVCDHIQAQM-UHFFFAOYSA-N 356.430 3.077 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)[C@H]1c2c(F)ccc(F)c2OC[C@@H]1CO 49071194 QPOUTHQXWMNQES-XXFAHNHDSA-N 374.792 3.134 0 1 FGAF COc1ccccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] 43119900 IIXVJKHHKJMDQS-UHFFFAOYSA-N 356.328 3.087 0 1 FGAF CC[C@@H](COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12 95594535 SFJGSGLNUIXGIG-NSHDSACASA-N 358.833 3.112 0 1 FGAF N=C(N)c1ccc(-c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)c(O)c1 95920751 VYJOWVQQJBILOA-UHFFFAOYSA-N 370.416 3.171 0 1 FGAF in-vitro COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@]1(C)c1ccccc1 299841361 ZKOYDZUUECJQQX-NHCUHLMSSA-N 354.402 3.259 0 1 FGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(CO)cc3[nH]2)cc1 587245697 XREYYZYYKJWBBE-UHFFFAOYSA-N 362.389 3.195 0 1 FGAF COC(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1OC 587017374 VLOWHIKGELUGTO-LBPRGKRZSA-N 359.407 3.333 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1sc(NC(C)=O)nc1C)[C@@H](C2)C3=O 587453709 YRKXBEGVOPJLIO-SGTLLEGYSA-N 358.419 3.081 0 1 FGAF Cc1nn(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1Br 586979009 NUJFZEKRSJHFAZ-UHFFFAOYSA-N 367.178 3.024 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4ccnc(O)c4[nH]3)n2C)cc1 586965533 LCBFHCBNNWHPKP-UHFFFAOYSA-N 352.423 3.060 0 1 FGAF O=C(c1cc(-c2ccccc2)on1)n1ncc2ccc(Cl)cc2c1=O 587652531 UJGANTCBNLAOAO-UHFFFAOYSA-N 351.749 3.393 0 1 FGAF Clc1nccnc1N1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 587085542 YXUGENZLUMVEKU-UHFFFAOYSA-N 357.801 3.119 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccccc1F)(c1nccn1C)[C@@H](C2)C3=O 587428268 YPRJGXFKVSYCAN-YCRPNKLZSA-N 364.376 3.259 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084784 GTFXVMWHAVTZTJ-UHFFFAOYSA-N 358.810 3.079 0 1 FGAF CCCCOc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br 586911246 WYBPDLFYMBBZAP-LLVKDONJSA-N 369.259 3.462 0 1 FGAF c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1-n1cnnn1 587951482 WCVNBEOVBMTEHW-UHFFFAOYSA-N 350.426 3.024 0 1 FGAF CC1=C[C@@]2(CC(=O)N1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587336874 BAOUEXBNARJYOO-FPOVZHCZSA-N 367.376 3.395 0 1 FGAF COC1=C[C@@]2(C[C@H](C(=O)O)C1)c1cccc(Br)c1CCN2C 963278859 CTEHYUAMHJZUKZ-DIFFPNOSSA-N 366.255 3.157 0 1 FGAF CSc1ccc([C@]2(CCC(=O)O)NCCc3nc4ccccn4c32)cc1 962990666 SBLPFBQJXBOGCM-FQEVSTJZSA-N 367.474 3.310 0 1 FGAF Cc1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 14962183 BJQFSJIVYSQLSX-KRWDZBQOSA-N 359.433 3.277 0 1 FGAF Cn1cncc1CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 167619267 MLHYJIKVQOHUEB-UHFFFAOYSA-N 363.396 3.075 0 1 FGAF CCc1c(-c2cccc(N3CC[C@H](NC)C3)c2)nc(O)c2c(O)nsc12 1857599785 JKCDBRISYIMVKY-LBPRGKRZSA-N 370.478 3.130 0 1 FGAF O=C(NCCCCCCO)c1cccc2oc(-c3ccccc3O)nc12 29132064 FYOVPPRCUMUAOO-UHFFFAOYSA-N 354.406 3.483 0 1 FGAF COC(=O)C[C@@]12C[C@@H](O[C@H]1C=C(C)CCC=C(C)C)[C@H](OC)CC2=O 2356512068 UQMNIDMLSKXSQI-ZTRFORPCSA-N 350.455 3.374 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)O 2356680270 BHMBVRSPMRCCGG-XSLAGTTESA-N 352.471 3.251 0 1 FGAF CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccno2)cc1OC 64979531 HYHHAALSVGDPLI-AWEZNQCLSA-N 350.440 3.303 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2O)cc1 32250824 SMPMCULEFKQGJW-UHFFFAOYSA-N 357.387 3.042 0 1 FGAF Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1 23156881 HQVRCELBSBOAGY-IOASZLSFSA-N 372.494 3.312 0 1 FGAF O=C(O)[C@@H]1CSc2c(C3CC3)c(Cn3ccc4ccccc43)cc(=O)n21 84671423 IPXGTRSMXRSXSJ-INIZCTEOSA-N 366.442 3.460 0 1 FGAF CCOc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 45495939 DTTQGDZVHYZNTQ-GOSISDBHSA-N 351.358 3.182 0 1 FGAF CC(=O)Nc1cccc(Oc2cncc(NCCCC(C)(C)CO)n2)c1 82068515 DLVZWZPXXPVYKR-UHFFFAOYSA-N 358.442 3.438 0 1 FGAF Nc1nc(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc2c1ncn2[C@@H]1CCCO1 43129550 QGZKDFNFCTXEHY-YJNKXOJESA-N 357.458 3.455 0 1 FGAF OC1([C@H](CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1 40394345 MRQDQHDPSBHAEH-QGZVFWFLSA-N 372.431 3.269 0 1 FGAF in-vitro CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](O)[C@@H]2C 238755380 XNBHVNRFMHXLMZ-AVQZXHFCSA-N 368.470 3.038 0 1 FGAF O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1 96175692 KZNIQYFLVYURSA-UHFFFAOYSA-N 372.182 3.074 0 1 FGAF C[C@@H]1C[C@@H]2C[C@@H](O)[C@@]34C[C@H](OC(=O)c5ccccc5)CN5C[C@@H]3C[C@@H]2[C@]54C1 238775244 JDNADLAUPUHONX-KCHUPWOLSA-N 367.489 3.103 0 1 FGAF c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)nc1 253693132 YKCHNWKXANLFGS-WGSAOQKQSA-N 366.513 3.055 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H]3[C@H](C[C@H]12)OC(=O)[C@]3(C)O 257500357 OCPGSVYCKLXPSO-HHIQXGEYSA-N 362.510 3.293 0 1 FGAF endogenous,in-man COc1ccccc1CN1CCC[C@@]2(Cc3ccccc3CNC2=O)C1 299849903 KVIQZPTWXMVMMR-JOCHJYFZSA-N 350.462 3.150 0 1 FGAF CCCCOc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br 587255546 KLMSTDKZXVFYEU-CQSZACIVSA-N 354.248 3.151 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587042692 WAKUCMKMRYJOEV-INIZCTEOSA-N 359.476 3.203 0 1 FGAF CCCOc1ccccc1[C@]1(CN)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426966 BRGDJHCAQGSMCJ-IERDGZPVSA-N 353.418 3.086 0 1 FGAF Oc1ncnc2[nH]c(COc3ccc(Cl)cc3Br)nc12 586977445 WBFAXBQWDMDFNM-UHFFFAOYSA-N 355.579 3.053 0 1 FGAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccnc(O)c2[nH]1 587259276 ZWHOUMMUWDDSKS-HNNXBMFYSA-N 361.405 3.235 0 1 FGAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397705 AIUHAVVLMWSZOI-VQIMIIECSA-N 353.418 3.333 0 1 FGAF CN(C)CCOc1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587164512 VKAROTCKCROSKW-IBGZPJMESA-N 356.445 3.293 0 1 FGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586960405 BROSCILAYVEEPE-BYPYZUCNSA-N 357.226 3.196 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1N[C@@H]1c1ccccc1 587592837 HOBKURAGIIAXMJ-IWQHBPENSA-N 359.381 3.436 0 1 FGAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587933068 TUMFUGUNYCBQLQ-KUHUBIRLSA-N 356.447 3.420 0 1 FGAF Clc1ccc(-c2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)nn1 587086704 CZMSVWOLCHFIQJ-UHFFFAOYSA-N 374.795 3.316 0 1 FGAF Nc1ccc(C(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587251596 JPNCQKGTZOTKFE-UHFFFAOYSA-N 363.190 3.257 0 1 FGAF CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3cccc4c3c(c21)CC4 587211112 CEZDSMKSZUKVAC-AUUYWEPGSA-N 363.413 3.016 0 1 FGAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCO3 586983362 BEWBVEHFGWBKLJ-LBPRGKRZSA-N 374.238 3.339 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CC[C@H](C(F)(F)F)C[C@@H]1N)N(C)[C@@H](C)C2 962621010 AXYIGUANUXVJFC-VHKVNPDBSA-N 372.431 3.465 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]23NCCc2ccc(O)cc23)C1 963351778 IUAGCTPVGUYYJU-KLHJMIIUSA-N 358.482 3.400 0 1 FGAF O=C(O)c1cn(CC2(c3ccc4cccnc4c3)CCCC2)cc(O)c1=O 1772618284 ZTQHBMPUEALCRH-UHFFFAOYSA-N 364.401 3.312 0 1 FGAF CC(C)(C)OC(=O)c1ncn2c1[C@H]1CCN1C(=O)c1c(Cl)cccc1-2 13828225 BWVJHTLMZSXUFK-GFCCVEGCSA-N 359.813 3.382 0 1 FGAF CC1(C)O[C@@H]2Oc3ccc4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccccc1)CC4=O 205673032 CHMTWRQIIYWNMW-ZSXHRAQDSA-N 352.386 3.365 0 1 FGAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccccc1OC 771737 QHRVTRHZFUYHAI-NRFANRHFSA-N 368.433 3.151 0 1 FGAF Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1 6730463 YIMIPGFQDNCZEY-UHFFFAOYSA-N 370.474 3.485 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@@]342 2356371633 NCTRVSNQAKOTOR-XGHDSRBHSA-N 353.466 3.124 0 1 FGAF NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 103242141 MYCKNKHATQGHEV-VXKWHMMOSA-N 364.537 3.214 0 1 FGAF CCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@H]1c1ccc(OCC)c(OC)c1 102912950 GTOJBXMGTJIMJU-HVESIFNPSA-N 372.425 3.495 0 1 FGAF CC[C@@H]1C/C=C\Cc2ccccc2[C@@H](C(=O)C[C@H](O)CC(C)=O)OC1=O 61959155 GQHJEOPNYJIXRG-PCFZJGKOSA-N 358.434 3.099 0 3 FGAF COC(=O)c1cc(NC(=O)/C=C\c2cccs2)ccc1N1CCOCC1 64503355 ADWAUCMXNMRZRE-ALCCZGGFSA-N 372.446 3.023 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C\Br)cc1)N2 36093114 PETAHELMBJGYJY-WJAVLHKVSA-N 350.256 3.449 0 1 FGAF CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3ccccc3)[C@H]3CCC[C@@H]1[C@@H]32 211060259 DBTJIPNTYZANLU-VTRWRZSMSA-N 361.507 3.481 0 3 FGAF O[C@@H](CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12 71295127 AQFQXNDANGFFNG-IBGZPJMESA-N 360.523 3.121 0 1 FGAF CC(=O)Oc1ccc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 31555046 PJAGGJPKGNYFJH-QGZVFWFLSA-N 351.402 3.289 0 1 FGAF CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1 224572053 VQDPRXATJIFYIO-UHFFFAOYSA-N 354.389 3.327 0 1 FGAF Cc1c(-c2ccc(OCCN3CCOCC3)cc2)[nH]c2ccccc2c1=O 84671235 OPNWMKALFOXNQW-UHFFFAOYSA-N 364.445 3.215 0 1 FGAF O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1 95558966 DAAZPAUBEVGXFD-UHFFFAOYSA-N 366.469 3.211 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3c(cc(OC)c4c3OCO4)[C@@H](C2)N1C 238779463 YBVJDCRNESZKBH-HZPDHXFCSA-N 369.417 3.268 0 1 FGAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C=O)nn12 96933400 BYRLXEVEBDHKLP-UHFFFAOYSA-N 365.176 3.110 0 1 FGAF COc1ccc(NC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426980 BTRSFEJRISWRFC-IERDGZPVSA-N 367.401 3.239 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174405 PFEQWSXINFIGAK-FQEVSTJZSA-N 367.380 3.032 0 1 FGAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(F)ccc1F 587637572 KXVIHDBMNLXSTG-UHFFFAOYSA-N 359.284 3.162 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587451582 IJYSCPCOTKJKKP-BTYIYWSLSA-N 350.370 3.264 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccccn1)CC2=O 587488639 RGOLZLGYXMHKBO-FQEVSTJZSA-N 355.390 3.465 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]ccc2=N)N1 587748984 ZFWJKXYAYSFRTL-JDNHERCYSA-N 350.235 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1-n1cccn1)[C@@H](C2)C3=O 587433000 UNLKPYBTMZQLAZ-HRAATJIYSA-N 362.385 3.378 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H]1CCCO1)CC2=O 587486326 KMFDAUUUSLYSBG-FXAWDEMLSA-N 362.422 3.181 0 1 FGAF C[C@]1(c2ccnnc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182940 RZVOXGPYQMCNOK-IAQYHMDHSA-N 371.746 3.011 0 1 FGAF O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2O)OCO3 14640947 YYFMUDJSHVYJGD-UHFFFAOYSA-N 364.309 3.340 0 1 FGAF biogenic,in-vitro CC[C@@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729822 DAKJLAJXDRCJER-CZUORRHYSA-N 362.857 3.363 0 1 FGAF CCC(CC)[C@H](C(=O)NC1CCCCC1)N1C(=O)C(=O)c2ccccc21 206050443 SGELJPKHDYCFJK-GOSISDBHSA-N 356.466 3.470 0 3 FGAF CC(=O)c1ccc(OCCCCN2CCN(c3ccncc3)CC2)cc1 1857562241 AWFMOAFVTVTLRU-UHFFFAOYSA-N 353.466 3.265 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3c(cc(OC)c(O)c3OC)CN1CC2 1857617489 NWYYBDGDVQCHHQ-INIZCTEOSA-N 371.433 3.082 0 1 FGAF O=C(c1cncnc1)c1cc(C(=O)Nc2cccc(F)n2)c2ncccc2c1 1857642215 KCEPSLKHOIYLKI-UHFFFAOYSA-N 373.347 3.042 0 1 FGAF Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(F)cc4F)CC3)n2c1 1857751241 DFEWZYRVZHWUIE-UHFFFAOYSA-N 370.403 3.192 0 1 FGAF COCCCNCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C 4562018 HWBVDGSLCDTWLW-FQEVSTJZSA-N 358.507 3.157 0 1 FGAF O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCCCCC1 3913412 UWMPGOAGBPHVMM-FDCRZUCXSA-N 364.445 3.014 0 1 FGAF N=C(N)SCc1cccc2c1-c1c(CSC(=N)N)cccc1C2=O 101513646 FNXISSGFJKJMKY-UHFFFAOYSA-N 356.476 3.151 0 1 FGAF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(NC=O)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)NC=O 2356551153 SJUBXKFUQQKUEC-LZKSQZAKSA-N 360.542 3.360 0 1 FGAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc4ccccc4o3)cc2)S1 26578730 SQWNJVRCRCZMOH-OAHLLOKOSA-N 354.387 3.301 0 1 FGAF C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921282 KIEMOUKKVZROBN-NSHDSACASA-N 359.360 3.482 0 3 FGAF COC(=O)[C@@H]1CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@H](C(C)=O)C[C@@]12C 2356587144 AGTVKDDCBZAARB-BILPAZCISA-N 374.433 3.314 0 1 FGAF COCC=C(C)C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356711144 KOMLQPBMYPUDGX-FJEWGBTGSA-N 352.515 3.071 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356855356 RCMYYZNUDQDHOY-DZFIUHNSSA-N 355.482 3.000 0 1 FGAF Cc1ccc2c(cnn2C)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950591 ZLWQZVBUIQXGBB-UHFFFAOYSA-N 373.420 3.258 0 1 FGAF CNC(=O)c1cccc(C2CCN(Cc3nc4ccccc4n3C)CC2)c1 71319091 GAPMBGSOAFXGAH-UHFFFAOYSA-N 362.477 3.313 0 1 FGAF C[C@@H]1CCCC[C@H]1NC(=O)NCCCc1nnc(-c2ccccc2)n1C 1911570743 TXXKROJOCBDMLD-NVXWUHKLSA-N 355.486 3.293 0 1 FGAF CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1 40414093 DEZZXZXQJQQKMB-HXUWFJFHSA-N 358.388 3.233 0 1 FGAF COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)OC2=S)cc1 84596789 XPZPLZUWTSQULW-YBEGLDIGSA-N 357.387 3.099 0 1 FGAF COc1cc(N)ccc1-c1nc(=O)c2c(-c3ccc(F)cc3)nsc2[nH]1 84633782 SVNCHBNLQHPESD-UHFFFAOYSA-N 368.393 3.444 0 1 FGAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCc1cccs1 25427576 ISRPQQCQSDUNKU-JKSUJKDBSA-N 371.506 3.338 0 1 FGAF biogenic O=C(C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1 40863337 HWQHXQCQIRAPKU-HSZRJFAPSA-N 368.392 3.208 0 1 FGAF biogenic CCc1noc2cc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)ccc12 653664890 NSIQNNYJCATBQL-UHFFFAOYSA-N 361.361 3.357 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc(N)cc41)[C@@H](C2)C3=O 587430857 CDOXUYALRCBPPE-BTYIYWSLSA-N 351.402 3.481 0 1 FGAF CCOC(=O)CC[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587396309 YUWRVQHGSUJGQI-FQEVSTJZSA-N 354.406 3.176 0 1 FGAF CCOC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516541 DATBMHBDEPICAR-GOSISDBHSA-N 354.406 3.032 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O 587456212 SZEPFVHSJCKDCZ-LQBOVUBWSA-N 366.413 3.187 0 1 FGAF C=C(NC(C)=O)c1nc2c(Br)ccc(Br)c2[nH]1 587204546 WNECGPFEZGAWGV-UHFFFAOYSA-N 359.021 3.195 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2N1 587123246 HGXZMNAKTDRMGQ-JMCQJSRRSA-N 363.347 3.018 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N(C)C)nc2)N1 587753188 GOVLPPCSHSYOTM-PSLIRLAXSA-N 365.250 3.068 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O 587452518 NSTVUTMOCBHKQV-HXPMCKFVSA-N 357.431 3.074 0 1 FGAF O=S(=O)(Cc1nc2cc(Br)cc(F)c2[nH]1)C1CCCC1 586924292 OMJGYQYXHNOSFI-UHFFFAOYSA-N 361.236 3.322 0 1 FGAF CC(=O)N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(C)cc1 587216535 DTVKCMOFVLHDHA-QFBILLFUSA-N 351.410 3.015 0 1 FGAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)NCCc3c(C(=O)O)cccc32)c1 963120522 JGMBERXBIWLPTC-OAQYLSRUSA-N 351.402 3.199 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963603990 CUZAGQKYZUNOIN-ZSEKCTLFSA-N 373.449 3.336 0 1 FGAF CCCC[C@@H](O)c1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1 1772654242 IDUIQRTUMQUYNT-QGZVFWFLSA-N 368.437 3.497 0 1 FGAF CCCCc1c(C)nc2nc(NCc3ccc(OCC)cc3)nn2c1O 15668902 WGFMHWDZCJCZOZ-UHFFFAOYSA-N 355.442 3.492 0 1 FGAF COc1ccc(-c2noc(NCCN(C)C3CCCCC3)n2)cc1OC 15770812 SJLYMKDPSQCYDQ-UHFFFAOYSA-N 360.458 3.430 0 1 FGAF COc1ccc(Nc2ncnc3ccc4nc(C(N)=O)sc4c23)cc1 206013294 MRHKIBJRNUIXGE-UHFFFAOYSA-N 351.391 3.091 0 1 FGAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3cccc(F)c3)C2=O)cc1 200052352 XACNQCQSPABQGP-IBGZPJMESA-N 354.425 3.445 0 3 FGAF CC(C)COc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CNC2 1857646129 LOONGKZYILAMNA-UHFFFAOYSA-N 361.873 3.247 0 1 FGAF COC(=O)c1cc(Nc2cc(C)c3ccc(=O)cc-3[nH]2)cc(C(=O)OC)c1 103790137 PJCXTPTUGFBEBU-UHFFFAOYSA-N 366.373 3.105 0 3 FGAF CCCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215062 WQUALCCVUVMDML-HIFRSBDPSA-N 368.865 3.385 0 1 FGAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1ccc(CN3CCCC3)cc1)O2 101177660 VVOAMVHBRFCOAQ-NRFANRHFSA-N 367.445 3.486 0 1 FGAF CCC[C@H](OC(C)=O)C1=C(Br)/C(=C/Br)OC1=O 64622111 ZHKRZTOJPXQAJI-BJMRUTCWSA-N 368.021 3.160 0 1 FGAF COc1cccc2c1ccn2CC(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12 2356634301 DYADNROGEDNLSS-HKUYNNGSSA-N 369.509 3.373 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(CC(=O)OC)C1)[C@H]32 2356759273 XXLGNVWUAFQREB-FKBYEOEOSA-N 368.477 3.343 0 1 FGAF CCCC(=O)/N=c1\[nH]c(-c2ccc3c(c2)OCO3)c(-c2nc(C)cs2)[nH]1 73312560 LTFXGICDMRUNNG-UHFFFAOYSA-N 370.434 3.398 0 1 FGAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3nccs3)no2)CC1 73199854 HHWOKDABGQJATF-UHFFFAOYSA-N 360.361 3.242 0 1 FGAF in-vitro C/C(=C\Cc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O)CO 40862338 NEQDXCVCMNDZJU-BIIKFXOESA-N 354.358 3.058 0 1 FGAF Cc1cc(Nc2nc(NCCc3ccco3)ncc2Br)n[nH]1 84733557 WCEVHFFJWJXDEU-UHFFFAOYSA-N 363.219 3.262 0 1 FGAF O=C(/C=C/c1cccn(CCCc2ccccc2C(F)(F)F)c1=O)NO 143918865 COYYFHFNVKETJF-MDZDMXLPSA-N 366.339 3.019 0 1 FGAF CC(C)c1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 473090081 UXODVZGNIOPAHB-UHFFFAOYSA-N 361.369 3.430 0 1 FGAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587028778 WONNXMAJOLINDO-UHFFFAOYSA-N 358.448 3.393 0 1 FGAF COc1ccc2nc(-c3nc4nc(Br)c[nH]c-4n3)sc2c1 587035512 RCHSOHORDRDYKK-UHFFFAOYSA-N 362.212 3.352 0 1 FGAF CN(C)/C=C/[C@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587516751 VXHQYDPJEKVOMC-ZOXUKVPXSA-N 351.450 3.235 0 1 FGAF Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513550 CCYPQTPPSJDTKR-OAQYLSRUSA-N 368.433 3.344 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c([C@@](C)(O)C(C)C)nc2c1 586888718 LVHIXESMTQOUIP-HNNXBMFYSA-N 355.232 3.366 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(C4(O)CCOCC4)[nH]c3c2)cc1 586913632 ODQLQZQTFJYPAD-UHFFFAOYSA-N 368.389 3.140 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCN(C)C)c1)[C@@H](C2)C3=O 587431139 YWNVDDFWMNNZGL-LAUBAEHRSA-N 353.418 3.124 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587236377 VPBCBDAXXNCQLF-RITPCOANSA-N 362.149 3.194 0 1 FGAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587570293 OEGOSBKWAVYYIX-QAPCUYQASA-N 354.337 3.451 0 1 FGAF COc1cnc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1Cl 587065240 MLUNAUBXDFQXJN-UHFFFAOYSA-N 357.845 3.039 0 1 FGAF COc1ccc2c(c1)[C@@]1(CC3(CCN(C)CC3)O[C@@H]1C)N(C(C)C)CC2 962088433 HLEHJMUFBWJTLS-VGSWGCGISA-N 358.526 3.430 0 1 FGAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 774162 GNRLSJFQLOLXAC-CQSZACIVSA-N 356.378 3.111 0 1 FGAF Cc1cnc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1 1503809 WUEZAPUAZHFQEQ-UHFFFAOYSA-N 355.405 3.311 0 1 FGAF CSc1nc(Nc2cccc(C(F)(F)F)c2)c2c(N)nn(C)c2n1 1860115 CCMDZSIMKMRPIT-UHFFFAOYSA-N 354.361 3.430 0 1 FGAF CN[C@H]1[C@H]2CCC[C@]23C[C@@]24C[C@@H]1C=C[C@]32[C@@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356355467 FBFPTUVKXJCALB-VEEBNAQPSA-N 357.538 3.403 0 1 FGAF COc1ccccc1CNC(=O)CCCC(=O)n1ncc2cc(C)ccc21 6768340 UXAUTCANUYHDPE-UHFFFAOYSA-N 365.433 3.480 0 3 FGAF COc1cc(C[C@H]2NCC[C@H]3C(F)=C(O)C(O)=C[C@@H]23)cc(OC)c1OC 100990507 IUCYJGARTZONQF-JHJVBQTASA-N 365.401 3.044 0 1 FGAF Cc1ccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305409 UKEJMTPCTQVIDV-HZPDHXFCSA-N 371.481 3.006 0 1 FGAF O=C(O)c1cc(CN2CCc3ccc(Cl)cc3C2)c2ccccn2c1=O 66097808 HRNMSMNRHDGDJF-UHFFFAOYSA-N 368.820 3.209 0 1 FGAF CC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2 28235501 RUVNANCEFYIYHW-PKTZIBPZSA-N 364.489 3.353 0 1 FGAF NC(=O)c1cc(O)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 114349003 ORMLOSONIQIDBI-UHFFFAOYSA-N 362.311 3.065 0 1 FGAF COc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356732556 ISBXKXYHZLSGLX-MRXNPFEDSA-N 374.433 3.028 0 1 FGAF COC=C(C(=O)OC)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C 2356739387 WAVDUDGTTMFJQX-NRXGSXMXSA-N 354.450 3.426 0 1 FGAF COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28527724 PRYUUYRGVGJMAB-VWNVYAMZSA-N 366.461 3.332 0 1 FGAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C[C@H]2C)cc1 72104535 UVTHUTZIRLUASK-BEFAXECRSA-N 352.434 3.319 0 1 FGAF NC(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 143662732 DIKDKRUREJXLMR-UHFFFAOYSA-N 368.422 3.017 0 1 FGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21 144163047 AGTWTNALRMIKJL-LLVKDONJSA-N 364.858 3.144 0 1 FGAF Cc1cccnc1[C@H](NC(=O)[C@H]1CC[C@H](c2ccco2)NC1=O)C(C)C 618015474 YHICRXHZOOBKGR-ZMSDIMECSA-N 355.438 3.064 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O 587441396 SOUPYNUYTVBXGS-OYHNWAKOSA-N 357.365 3.443 0 1 FGAF COc1ncc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587371655 MGGWBNFXEMNIJA-AWEZNQCLSA-N 363.211 3.450 0 1 FGAF COc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cn1 587042158 IOCJCAIXGYINQN-CYBMUJFWSA-N 360.826 3.275 0 1 FGAF NS(=O)(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961187 KGBANLOEAFMGJN-UHFFFAOYSA-N 363.442 3.468 0 1 FGAF COC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806041 INZBSNXLOPSRMD-ABKXIKBNSA-N 356.235 3.291 0 1 FGAF CN1CCc2c(Br)cccc2[C@]12C[C@@H](O)c1cccc(N)c12 963271945 YICHJJMJDJAXSE-AEFFLSMTSA-N 359.267 3.200 0 1 FGAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772582836 LYEFGGREPUFIPO-UHFFFAOYSA-N 350.401 3.124 0 1 FGAF CC1=C2C(N)=C(C(=O)Nc3ccccc3)S[C@H]2NC(C(F)(F)F)=C1 19461941 NKNVFVYVNYDXPG-OAHLLOKOSA-N 353.369 3.234 0 1 FGAF FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1 1857538665 AYEKORXNDWMSTL-UHFFFAOYSA-N 356.485 3.438 0 1 FGAF CN1C(=O)c2ccnc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23 1857546413 HFZJNVZIORFKNP-UHFFFAOYSA-N 373.821 3.279 0 1 FGAF NC(=S)c1cccc(-c2cn(C3CCNCC3)c3cc(N)ccc23)c1 1857606991 PIZLCGRSHOKDIS-UHFFFAOYSA-N 350.491 3.449 0 1 FGAF COc1ccc(-c2cnc3ccc(=NCc4ccc(C)cc4C)[nH]n23)cn1 1857616234 CSFBVXIUXBYIFY-UHFFFAOYSA-N 359.433 3.451 0 1 FGAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3F)CC2)c1 1857636972 WDPMILHUIWKIJL-UHFFFAOYSA-N 358.486 3.352 0 1 FGAF COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 1379757 ZPCQUKGPDXTERH-QGZVFWFLSA-N 371.412 3.147 0 3 FGAF CCCN(CCC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)CC 4971379 ICSOVQFDJVCQMD-CQSZACIVSA-N 352.500 3.185 0 1 FGAF CC(C)NC(=O)c1onc(CSc2ccccc2)c1C(=O)NC(C)C 103211233 UMGGGUUFRTYCMU-UHFFFAOYSA-N 361.467 3.243 0 1 FGAF CN(C)CCCNc1ccnc2cc([125I])ccc12 100522182 XKUMTLINEKGTOG-VLPIPSKASA-N 353.224 3.203 0 1 FGAF in-man Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(F)cc1F 117587395 NLZNCNQCLKBTRC-UHFFFAOYSA-N 361.392 3.476 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@H]1O)[C@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 59729440 CWGQQELECQFCDS-CJMONDIMSA-N 368.385 3.099 0 1 FGAF CC(C)(C)NC[C@@H](O)COC(=O)c1ccc(OCc2ccccc2)cc1 25969092 JBGFVLWOBQFDTK-GOSISDBHSA-N 357.450 3.171 0 1 FGAF CC(C)(Oc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1)C(=O)O 26471342 OHQJGYXODUWXTD-UHFFFAOYSA-N 358.350 3.271 0 1 FGAF COc1ccc(N2C(=O)[C@H](C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 66258632 MSPAKPUUAIDJIT-ZMZPIMSZSA-N 373.405 3.151 0 1 FGAF COc1cc2ncnc(Oc3cc(OC)c(OC)c(OC)c3)c2cc1OC 27410222 IKLSIDTUVXSHJB-UHFFFAOYSA-N 372.377 3.465 0 1 FGAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61904685 DOGWHPFTAKLUSX-INIZCTEOSA-N 359.344 3.391 0 3 FGAF CN1CCCC[C@H]1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 36289034 LBJMHPIVBXUBLY-AWEZNQCLSA-N 350.422 3.186 0 1 FGAF CC(=O)O[C@H]1CC[C@@H](CCCCCCCCCC[C@H](O)CO)N[C@H]1C 34516837 MJPZKLRGLLDPRZ-RNQOJCNYSA-N 357.535 3.313 0 1 FGAF Nc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)ncn1 212149993 NMZPACUGQKBOGH-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccccc1 82212881 YVIZHDQFPRACKZ-UHFFFAOYSA-N 351.498 3.462 0 1 FGAF CNc1nc(NCCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 82131534 FXDRKQIQEASBNZ-UHFFFAOYSA-N 368.437 3.352 0 1 FGAF CNC(=O)c1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1 84617920 YINWCSNCKOMNBT-UHFFFAOYSA-N 355.463 3.115 0 1 FGAF CC(C)(C)[C@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 473108005 KXDHBTAVFFEGDR-HXUWFJFHSA-N 358.526 3.443 0 1 FGAF c1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)cc4)cc23)ccn1 299836386 ZPVHTHDMYBCSQZ-UHFFFAOYSA-N 372.432 3.372 0 1 FGAF CC(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O 653683850 JCMGJBTYTUCSSM-UHFFFAOYSA-N 354.406 3.285 0 1 FGAF Cc1nn(C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)c(C)c1Cl 653730435 DAIXZFZYZFKKDV-UHFFFAOYSA-N 350.209 3.468 0 1 FGAF COc1cc2c3c(c1)O[C@@](Cn1ccnc1)(c1cccc(F)c1)[C@@H](C2)C3=O 587428522 NTTNLNUTCZRRIT-UWJYYQICSA-N 364.376 3.374 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 587490911 SUOMFWPGLYKKOT-IWMITWMQSA-N 372.417 3.139 0 1 FGAF COc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C 587760315 XRMCCGUROBKVSB-ANRSDYALSA-N 368.250 3.262 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587006332 GPHSNGMGKCCQOL-UHFFFAOYSA-N 355.213 3.379 0 1 FGAF COc1cc(OC)c2[nH]c(C(F)(Br)Br)nc2c1 587087422 QFSUPCDEEOVZMX-UHFFFAOYSA-N 368.000 3.450 0 1 FGAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1 13533271 JRFBVLJXBBJSFR-UHFFFAOYSA-N 359.429 3.380 0 1 FGAF COc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1 13802982 ZNVJBKVJJHNRRV-UHFFFAOYSA-N 352.434 3.406 0 1 FGAF COc1ccc(NC(=S)N2CCN(C(=O)CC(C)(C)C)C[C@H]2C)cc1 1857591638 NZJGALLFFADIPQ-CQSZACIVSA-N 363.527 3.361 0 1 FGAF Cc1ccc2nc3c(O)n(CC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)ncc-3c2c1 103536715 RAISMWIMTRYFHV-JKIFEVAISA-N 366.465 3.491 0 1 FGAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 103638051 LUDLBVNDRPWDED-IBGZPJMESA-N 370.424 3.493 0 1 FGAF CCN(CC)C(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103185362 ONYKKGGWBPJBNI-UHFFFAOYSA-N 354.454 3.445 0 1 FGAF CC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1 28524326 NLGVITOIVJUBLN-LBPRGKRZSA-N 355.417 3.197 0 1 FGAF O=C(OCc1ccccc1)C1=C(Cc2ccccc2)S[C@@H]2CC(=O)N12 26377948 QQLMTGWSUOQSDT-GOSISDBHSA-N 351.427 3.489 0 1 FGAF CCCCC[C@@H]1[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 27641058 MZYZWZXTHYCVHQ-XNTKLVSTSA-N 354.487 3.043 0 1 FGAF CCc1ccc(CNC(=O)CCC(=O)N2CCSc3ncccc32)cc1 20565012 MULMBDYDCWKJDP-UHFFFAOYSA-N 369.490 3.179 0 1 FGAF COc1cc([C@@H]2CN=C(c3ccc4nc(O)oc4c3)O2)cc(OC)c1OC 27517651 VZKXPBDQSMLWQZ-INIZCTEOSA-N 370.361 3.077 0 1 FGAF CCCNC(=O)c1nc(-c2nc(C)cs2)c(-c2ccc3c(c2)OCO3)[nH]1 73294488 JWVRZTZGKRAVED-UHFFFAOYSA-N 370.434 3.377 0 1 FGAF COC[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1ccc(F)cc1 219746909 WUEXSCIQOUAXIB-MRXNPFEDSA-N 369.400 3.484 0 1 FGAF CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1 36338889 CEIMKSIJRVFDOP-UHFFFAOYSA-N 350.491 3.457 0 1 FGAF CC(C)(C(=O)Nc1ccccn1)n1cc(-c2ccc3c(c2)OCCO3)cn1 74387582 UIVUMBNDUYAMCK-UHFFFAOYSA-N 364.405 3.090 0 3 FGAF CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)C(C)C 14826965 GUWOWSAGEMNEHI-ZWKOTPCHSA-N 374.389 3.136 0 1 FGAF biogenic CCOC(=O)N1CCC(Nc2cc(-c3cc(F)cc(F)c3)ncn2)CC1 82168172 QJQGJRNTQFQERG-UHFFFAOYSA-N 362.380 3.455 0 1 FGAF CCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45253821 YEQMKIXYEYPAAX-UHFFFAOYSA-N 369.469 3.222 0 1 FGAF CCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82070148 AZFPUXOTLKFJRG-QGZVFWFLSA-N 357.454 3.321 0 1 FGAF COc1ccccc1OS(=O)(=O)c1ccc2[nH]c3ccncc3c2c1 40878915 ZAZGHDXUJAFVJJ-UHFFFAOYSA-N 354.387 3.492 0 1 FGAF CC(C)C[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCc1ccccc1 40567271 QGCNOGFPKCLRNA-KRWDZBQOSA-N 361.482 3.309 0 1 FGAF Cc1cc(F)ccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565229 JKFQNZKNJHPNTK-UHFFFAOYSA-N 364.779 3.302 0 1 FGAF Cc1ccc(NC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C 96283180 QOJFAVDUJMWKRH-UHFFFAOYSA-N 351.403 3.028 0 1 FGAF COC(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401448 YFGKVXYGDSGMKW-HXUWFJFHSA-N 355.390 3.010 0 1 FGAF CC(C)(C)OC(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587556092 USSRVKJCGSGGRM-UHFFFAOYSA-N 354.366 3.450 0 1 FGAF C[C@]1([C@H]2CCCNC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352284 WJVKDIFZLHZQBC-DJPFJPOOSA-N 369.392 3.175 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CO)ccn2)N1 587774240 USDSSTSKDUEISN-ABKXIKBNSA-N 351.219 3.099 0 1 FGAF Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3cc(F)ccc23)cnn1C 587636051 PFGNNIFCCQVULE-UHFFFAOYSA-N 351.385 3.289 0 1 FGAF FC(F)(F)COc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccn1 587091414 KSJMYAQXRKIJSM-UHFFFAOYSA-N 374.120 3.070 0 1 FGAF CC(C)(C)c1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587560918 BQFKIQKBQKVODR-CQSZACIVSA-N 363.417 3.381 0 1 FGAF COc1cncc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587144499 MWCDGVKGGHFQLJ-NSHDSACASA-N 365.206 3.111 0 1 FGAF C[C@H](c1nc2c(O)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129695 ZODVNLXBAJWBLT-GSVOUGTGSA-N 364.690 3.393 0 1 FGAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2n1 587108980 KFXOKGOYFXANDK-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF CC(C)[C@@](C)(O)c1nc2c(Br)cnc(Br)c2[nH]1 586893484 ZKDTXXZKFLJHIG-LLVKDONJSA-N 363.053 3.346 0 1 FGAF O=c1c(Cl)c[nH]cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 222831837 KUXNJQZRSHVQOS-UHFFFAOYSA-N 353.614 3.136 0 1 FGAF Clc1ccc2nc(-c3ccccc3)c(OCCN3CCOCC3)n2c1 1772615676 RFCPJBFBASKMEY-UHFFFAOYSA-N 357.841 3.366 0 1 FGAF COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](C)O)cc3[C@@H]2C)ccc1O 13340371 ATJXKALKESRMIG-IXERHHOTSA-N 360.406 3.061 0 1 FGAF biogenic CC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3cccc(C(=O)O)c3)ccc12 13493893 AWEOKSFHCOKLMC-UHFFFAOYSA-N 369.333 3.129 0 1 FGAF COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(C(=O)O)c3)c1C2 13677850 ZPUVCZIVZNZCLQ-UHFFFAOYSA-N 351.362 3.440 0 1 FGAF O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)n1cccn1 13756413 ABZKSRGAHPSUSI-QLOJAFMTSA-N 351.450 3.316 0 1 FGAF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc(Br)cc2)=N1 13813435 AELUDMNOSARZAJ-HNNXBMFYSA-N 360.207 3.338 0 1 FGAF COc1cc(OC)c2c(=O)cc(-c3ccc(NCCN(C)C)cc3)oc2c1 169351495 RNQGZKGYUJWYHH-UHFFFAOYSA-N 368.433 3.451 0 1 FGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)n1 205905333 NVDGLDOHJBABEQ-UHFFFAOYSA-N 361.283 3.085 0 1 FGAF COc1cccc(CN=c2nc3sc(-c4ccccc4)nc3c(N)[nH]2)c1 1857637862 BCYGXPUZEWFUON-UHFFFAOYSA-N 363.446 3.378 0 1 FGAF Cc1c(N2CCCCCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918980 DHDRJOSKPRDNFK-UHFFFAOYSA-N 355.438 3.306 0 1 FGAF C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 8681550 QZIGLSSUDXBTLJ-DFBDCSAJSA-N 352.452 3.085 0 1 FGAF Cc1cnccc1N1CCCN(C(=O)c2ccc([C@H]3CCCN3)s2)CC1 103525767 ATORMWCWUQGLGZ-MRXNPFEDSA-N 370.522 3.229 0 1 FGAF COc1cc(O)cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)c1 2356359728 RLPSCTFWRRFZRG-FEHORTKBSA-N 358.390 3.190 0 1 FGAF CCC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27851198 HRFFCOVDJJFFDN-HZPDHXFCSA-N 365.385 3.277 0 1 FGAF Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)sc2ccccc12 114604347 QTKZILXILDWMNS-UHFFFAOYSA-N 371.447 3.191 0 1 FGAF CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)-c1cn(C)nc1CC4 29125452 MUVCNULFUOVFHT-UHFFFAOYSA-N 370.412 3.266 0 1 FGAF COCCOc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1Cl 27518759 KNLJFMVKISMQFC-QHCPKHFHSA-N 371.871 3.006 0 1 FGAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1 71330308 MQWCGLLYOBFYNX-UHFFFAOYSA-N 364.430 3.278 0 1 FGAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H]2C)cc1 72104536 UVTHUTZIRLUASK-KXBFYZLASA-N 352.434 3.319 0 1 FGAF COCCNc1ccc(C(=O)COc2ccccc2Br)cn1 73196668 KVNQQUAHSJMVAV-UHFFFAOYSA-N 365.227 3.164 0 1 FGAF O=S(=O)(c1cc(F)cc(Cl)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 73197508 CUWCZLZREHQXBB-RDJZCZTQSA-N 367.829 3.150 0 1 FGAF CCCCc1ccc(-c2nc(CNCCCN3CCOCC3)co2)cc1 72184929 MBXIZSUPESYDPW-UHFFFAOYSA-N 357.498 3.496 0 1 FGAF CCCCOc1ccc(Oc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1 40379195 NPVSNJHKGNRODV-FQEVSTJZSA-N 358.438 3.306 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5cc(C)no5)c4[nH]3)ccc21 143358406 QZCLMNXJPLBVNY-UHFFFAOYSA-N 360.377 3.023 0 1 FGAF O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCCCC1 95867939 DLOUFXPDLXLPOD-YPAWHYETSA-N 368.521 3.367 0 1 FGAF C/C(CO)=C1/CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCC(=O)O 238752706 OCOLGWGUVNBXLA-MQFQOZRKSA-N 362.422 3.474 0 1 FGAF Cc1nc([C@@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 142975453 XBSGAUCAECNNOD-CABCVRRESA-N 359.437 3.140 0 1 FGAF CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 142053351 SGUFMILVUPZIQG-UHFFFAOYSA-N 365.886 3.058 0 1 FGAF COc1ccc(-c2cccc(N)c2C)cc1S(=O)(=O)NC1CCCC1 473111415 AZQZFHRAMDFRKY-UHFFFAOYSA-N 360.479 3.474 0 1 FGAF Cc1csc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 299826298 GOBXWJZMRDMTJF-UHFFFAOYSA-N 364.474 3.476 0 1 FGAF CCS(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587087465 CXYUVLUHLLIBKI-JTQLQIEISA-N 355.410 3.106 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)cc1)O2 587397539 CEBGFLDTNYMBLF-NRFANRHFSA-N 352.434 3.294 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(F)c(F)c(F)c(F)c3[nH]1)C2 587247666 WUJNKYJCGFEINU-GOSISDBHSA-N 365.330 3.471 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncncc1Cl 587869037 YKIFUYGOLUOUHR-UHFFFAOYSA-N 355.707 3.405 0 1 FGAF CCc1noc(C2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)n1 587439419 VNLWMODDJFQCTI-LCVXBWFXSA-N 354.406 3.485 0 1 FGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)cnc2[nH]1 587193929 IXYNKVGNJYXGGX-LLVKDONJSA-N 353.854 3.129 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](CN1C(=O)COc3ccccc31)CC2=O 587486852 MTKQIUXCLLWJOH-ZDUSSCGKSA-N 367.401 3.104 0 1 FGAF CC1=C[C@]2(NCCc3c(Cl)cc(Cl)cc32)[C@@H](c2cc[nH]n2)C(=O)O1 963118664 GXFQRSLWEIAPGX-DOTOQJQBSA-N 364.232 3.302 0 1 FGAF C[C@@H](OC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21)c1ccccc1 962902764 LWQPECZHGXCJLM-MPKWNAGQSA-N 371.408 3.334 0 1 FGAF Cc1c(O)ccc2c1[C@@](C)(c1nc(C(F)(F)F)cs1)N[C@H](C(=O)O)C2 963473931 UGJYUDMQSSWLJK-VFZGTOFNSA-N 372.368 3.038 0 1 FGAF COc1ccc(-c2ccc3ncnc(O[C@H]4CCN(C)C4)c3c2)cc1OC 1772624303 JBCVLFFNJOTCGR-INIZCTEOSA-N 365.433 3.397 0 1 FGAF FC(F)(F)c1cccc(-c2cnnc(NCCOc3cccnc3)n2)c1 12320367 NIMIEHAHVOXYMT-UHFFFAOYSA-N 361.327 3.443 0 1 FGAF CC[C@H](O)/C=C/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O 169622084 ZVAAQQQCGCHARU-WQYJQXTLSA-N 350.455 3.337 0 1 FGAF O=c1n(-c2ccc(F)c(F)c2)ccc2nc(COc3ccccc3)cn12 204294400 PGRUGPPNZWWKRZ-UHFFFAOYSA-N 353.328 3.342 0 1 FGAF NCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)n2nccc2n1 1857576432 MFHFPKNPLFMFFP-UHFFFAOYSA-N 359.389 3.233 0 1 FGAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CCOCC1 1857628042 JFMDHVAWBLYOTK-UHFFFAOYSA-N 359.817 3.281 0 1 FGAF Cc1ccc([C@]2(O)c3ccccc3C(=O)N(C)[C@]2(O)c2ccc(C)cc2)cc1 1648551 UQRXVACWPANGTN-ZEQRLZLVSA-N 373.452 3.470 0 1 FGAF Cc1ccc(F)c(Nc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1 3814453 AZHXFKCTCUPFGL-UHFFFAOYSA-N 373.413 3.059 0 1 FGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054595 OJAOOVURWPBBAX-LMMKCTJWSA-N 372.852 3.319 0 1 FGAF Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1Cl 4845833 TWWAHIUATHNMIQ-LZDSYCOUSA-N 360.841 3.008 0 1 FGAF CCOc1ccccc1CNC(=O)c1oc2c(c1C)-c1[nH]ncc1CC2 6748394 XRISWPGPKIWNFT-UHFFFAOYSA-N 351.406 3.405 0 1 FGAF CCCc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1C 26824021 UKEVIKLDJYOOAQ-UHFFFAOYSA-O 362.497 3.127 0 1 FGAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](OC)C[C@H]1[C@H]2C(=O)OC 2356672324 FPYWPRHZJJOPJP-XWPNQZOQSA-N 368.477 3.467 0 1 FGAF Cc1nc(-c2cc(C)c(OCCCc3cc(CCO)no3)c(C)c2)no1 26485149 QFQMWPKKAPBYPA-UHFFFAOYSA-N 357.410 3.196 0 1 FGAF O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1)N1CCCC1 66112753 GIVZDASVXCBGBL-UHFFFAOYSA-N 365.355 3.200 0 1 FGAF Cc1ccccc1CN1CCN(CCCc2ccccc2)[C@H](CCO)C1 36379970 HXOHBEKWOJKPKX-HSZRJFAPSA-N 352.522 3.496 0 3 FGAF COc1ccc([C@]2(O)C(=O)Nc3ccc(-c4c(C)noc4C)cc32)cc1 219520072 VXUOZBSKTXNLRB-HXUWFJFHSA-N 350.374 3.155 0 1 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ncccc2c1 218929922 RDXPQFSQLXIACA-UHFFFAOYSA-N 370.368 3.330 0 1 FGAF CCCc1cc(Cc2cnc(N)nc2N)ccc1OCCCCCC(=O)O 45211291 PGNAJTUVWGQAOX-UHFFFAOYSA-N 372.469 3.208 0 1 FGAF COc1cc([C@@H]2OC[C@H]([C@H](O)c3ccc(OC)c(OC)c3)[C@H]2C)ccc1O 14641967 UBHQFHYVKKIXCN-ZUCPUQIHSA-N 374.433 3.475 0 1 FGAF biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)NCC[C@@]43C)C1=CC=C2n1ccnn1 144162522 KWGZNHGAAAYWLI-XTNBKJMLSA-N 352.482 3.418 0 1 FGAF CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(OC)cc4)cc3[C@@H]21 95878354 UQLNTDHUHCVUAC-NQSCKRDGSA-N 366.461 3.448 0 1 FGAF CCCCNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccn1 95567043 VAQGWUJDVVODRY-UHFFFAOYSA-N 362.433 3.420 0 3 FGAF c1ccc2nc(N3CC(Oc4ccnc(-c5ccncc5)n4)C3)ccc2c1 96168813 BUUMWZWHQVIMLN-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF O=C(c1ccc(CN2Cc3ccccc3S2(=O)=O)cc1)N1CCCCC1 299827264 VVWPVJDUNAWNQL-UHFFFAOYSA-N 370.474 3.017 0 1 FGAF C[C@H]1CCc2cc(-c3nccn3C)ccc2N1C(=O)c1ccc(O)cc1O 653682151 OJZZFYPZMQVSJV-ZDUSSCGKSA-N 363.417 3.480 0 1 FGAF Nc1ncc(-c2cc(N3CC[C@H](F)C3)nc(C3CC3)n2)cc1OC(F)F 653682402 ULCAZIRACOSOTN-NSHDSACASA-N 365.359 3.148 0 1 FGAF COC(=O)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595779 SUFVILSYTKQNOJ-FPSMJMQUSA-N 368.385 3.456 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cn2)OCO3)N1 587778196 LKXPVBLFLUVYLW-VPTHRUTESA-N 365.202 3.336 0 1 FGAF CC1=C(c2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)NNC(=O)C1 587088338 LKTKUURVGGLNGD-GFCCVEGCSA-N 373.407 3.068 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587234206 XTPRNCRMCAMSAP-UONOGXRCSA-N 372.469 3.426 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C3CC3)C(=O)C2)N1 587772262 ZHBVAFOUWQJRRW-BMLIUANNSA-N 367.262 3.103 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@]21CCCN(C(=O)c2ccccc2)CC1 963121018 ILRJWEWXZYFBMH-JOCHJYFZSA-N 364.445 3.052 0 1 FGAF O=C([C@@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc2C1)N1CCCC1 13737614 ROGAPHOWRGLVQR-LPHOPBHVSA-N 372.534 3.096 0 1 FGAF CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 13823442 ASSFTGNZZQBCNK-JECKXPPMSA-N 362.466 3.169 0 1 FGAF CCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 15111827 MZYZWZXTHYCVHQ-YNNPMVKQSA-N 354.487 3.043 0 1 FGAF CC1(C)CNc2ncc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)nc21 204757554 MABMEAYNQCJUKG-UHFFFAOYSA-N 363.450 3.429 0 1 FGAF COc1ccccc1[C@H]1CS(=O)(=O)Oc2c1c(C)nn2-c1ccccc1 1857545835 ZJTHNQHICHCZMK-MRXNPFEDSA-N 370.430 3.043 0 1 FGAF Cc1ccc2nc(NC(=O)C3CCCC3)c(C(=O)NC3CCCC3)n2c1 1857592314 OCZRNIQLMPXEMR-UHFFFAOYSA-N 354.454 3.444 0 1 FGAF CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 3006219 DLKJQYDLYJSKNL-IBGZPJMESA-N 361.511 3.319 0 1 FGAF CN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(C)C1=O 103281934 GVYRQCWTKJTDFS-WJDWOHSUSA-N 360.369 3.325 0 1 FGAF O=c1[nH][nH]c2nc(CN3CC=C(c4ccccc4)CC3)nc3cccc1c32 59128651 QXRMUEUEOSRZCU-UHFFFAOYSA-N 357.417 3.089 0 1 FGAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN4C[C@@H](C)[C@@H](CC[C@]31CO)[C@H]42 2356420891 QXIYBJSJMAMZDQ-UHYWXOQSSA-N 373.537 3.395 0 1 FGAF COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3ccoc3)C1)CC2 20776108 BTYMGWXKXPLQHU-IBGZPJMESA-N 356.466 3.320 0 1 FGAF CNC(=O)c1cn(-c2ccc(O)cc2)c2cc(-c3ccncc3)ccc2c1=O 27306054 IRKGIECBWZKFBX-UHFFFAOYSA-N 371.396 3.118 0 1 FGAF COCC[C@H](CC1(C(=O)NCCCc2ccccc2)CCCC1)C(=O)O 28641135 LXBLLHCYZOEWIH-GOSISDBHSA-N 361.482 3.423 0 1 FGAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@H](CO)Cc1ccc(O)cc1 27980213 ATRMIGVAAPIRJO-INIZCTEOSA-N 360.417 3.162 0 1 FGAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2cccc(OC)c2F)c1 61905933 JNMJMACMCKKUHN-HXUWFJFHSA-N 358.413 3.446 0 3 FGAF Cc1nnc2c(NC(C)C)cc(-c3cnn(C)c3Oc3ccccc3)nn12 213528292 FMZIWWVAGSYFNE-UHFFFAOYSA-N 363.425 3.446 0 1 FGAF COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34804027 MXXIRSAITSWIQL-UHFFFAOYSA-N 373.368 3.168 0 1 FGAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1 40392022 FGEMHDNXHGCGCE-JEOXALJRSA-N 371.437 3.120 0 1 FGAF COC(=O)/C(=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 138025767 MHYOPIANRZHZKR-XNTDXEJSSA-N 358.390 3.435 0 1 FGAF CCOC(=O)c1cn(-c2ccc3c(c2)OCO3)c(-c2cccc(C)n2)n1 96285318 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372.476 3.405 0 1 FGAF CC(=O)Nc1ccc2cccc(S(=O)(=O)Nc3onc(C)c3C)c2c1 13602355 GVWKKPXORPAABB-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF CCCO[C@H](CNC(=O)/C=C/c1ccc(O)c(OC)c1)c1ccc(O)cc1 14616903 ZIJXIGDTQVXINA-XGHQVWIYSA-N 371.433 3.404 0 1 FGAF CCN(CC)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 14888053 RQYIGVBHBCTGIL-ZDUSSCGKSA-N 371.462 3.009 0 1 FGAF CO[C@@H](CN1CCN(c2ccccn2)CC1)[C@@H](N=O)c1cccc(C)c1 169719701 WJBXZGTUKWEVIU-ICSRJNTNSA-N 354.454 3.035 0 1 FGAF Cc1cccc(Cl)c1Cn1nc(Cl)c2ncc(-c3nn[nH]n3)cc21 203425303 NZOSXOVFKQTUAJ-UHFFFAOYSA-N 360.208 3.275 0 1 FGAF COc1ccc([C@]2(C)CN(CC(=O)c3ccc(F)cc3F)C(=O)N2)cc1 1857544082 CSUXDFAMRJSKPQ-IBGZPJMESA-N 360.360 3.097 0 1 FGAF CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4ccccc4F)C3)nn2c1=O 19521718 JWOZXMYDLZLSIV-HNNXBMFYSA-N 354.429 3.022 0 1 FGAF COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 1379756 ZPCQUKGPDXTERH-KRWDZBQOSA-N 371.412 3.147 0 3 FGAF COC(=O)CCC(=O)c1cnc2c(c1)[C@@]13C[C@@H](C)C[C@@H](C2)[C@H]1CCCN3 2356467057 AYWQLULMTJAHKZ-FWQNXSRISA-N 356.466 3.015 0 1 FGAF C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 3977830 QZIGLSSUDXBTLJ-TXTZMMAHSA-N 352.452 3.085 0 3 FGAF in-vitro Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1 6797783 UJSGEDINHPJQBG-SANMLTNESA-N 368.458 3.362 0 1 FGAF O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1/C=C/c1ccccc1 103280849 SAYIMDCHIWSTPC-BAQLVDRSSA-N 365.429 3.401 0 1 FGAF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1OC 28825542 YHVVEFKLCMVGMK-AWEZNQCLSA-N 372.421 3.168 0 1 FGAF CCCCN1C[C@]2(CCN3CCc4cc(OC)c(OC)cc4[C@@H]3C2)OC1=O 29220813 HYNZBMVSTMHXCR-LAUBAEHRSA-N 374.481 3.388 0 1 FGAF C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26004903 GCOQFQIJJUXURI-RBUKOAKNSA-N 360.816 3.471 0 1 FGAF CCC(=O)[C@@H]1O[C@](O)(CCC2=CCOC2=O)[C@]2(C)CCCC(C)(C)[C@H]12 2356322503 LMVJVYFIOXLTDX-XAMWDVODSA-N 350.455 3.149 0 1 FGAF CCC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27851190 HRFFCOVDJJFFDN-HOTGVXAUSA-N 365.385 3.277 0 1 FGAF 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365.842 3.461 0 1 FGAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587142289 RSBRTBAWMIYFAO-UHFFFAOYSA-N 360.197 3.323 0 1 FGAF CC(C)NC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573126 RQTVUECVZCDXRO-UTKZUKDTSA-N 369.417 3.273 0 1 FGAF COc1ccc(CCCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c1 587928482 GLKWWXOVLDBMLR-UHFFFAOYSA-N 367.449 3.457 0 1 FGAF COC(=O)c1ccc(Oc2ccc3nc(CC4CC(N)C4)[nH]c3c2)cc1 587255224 JMOOBVNHBWAFMC-UHFFFAOYSA-N 351.406 3.422 0 1 FGAF Cn1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587551564 GYAKFYLYLTXIHA-RDTXWAMCSA-N 356.765 3.482 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ncnn23)N1 587790479 CFNMRQZKNGKSJL-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF Cn1ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548692 QEPIEZPDNBLCQT-KSSFIOAISA-N 356.765 3.482 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2N)N1 587748570 XSBIFLITMGCSMW-XXFAHNHDSA-N 350.235 3.363 0 1 FGAF COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1C 587193608 NDQLKAPDNMYYBN-UHFFFAOYSA-N 367.449 3.399 0 1 FGAF Nc1ccc(/C=C/c2nc3cc(I)cnc3[nH]2)cc1 587251907 QQNDUACZMVQZRL-ZZXKWVIFSA-N 362.174 3.315 0 1 FGAF NC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116034 KVTPKNNHVQYWMG-UHFFFAOYSA-N 357.295 3.291 0 1 FGAF Cc1cc2c(cc1O)[C@](c1ccc(C3CC3)nc1)(C1CC1)N[C@H](C(=O)O)C2 963489531 HPCPQMCZKKZYQM-SIKLNZKXSA-N 364.445 3.226 0 1 FGAF COc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1OC 1772645615 WWZJLLLAXLYHJO-UHFFFAOYSA-N 353.374 3.183 0 1 FGAF COC(=O)c1ccc(Nc2nnc(SCc3csc(C)n3)[nH]2)cc1 14964302 VZSYRVYVFRPJRK-UHFFFAOYSA-N 361.452 3.392 0 1 FGAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCCF 203539955 PNYZVAIGFZQRDS-UHFFFAOYSA-N 373.819 3.382 0 1 FGAF COc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@@H]2C(=O)O 221402491 PPMCZEBJGJNUJF-MRXNPFEDSA-N 367.426 3.332 0 1 FGAF CCNc1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)nc(N)n1 142733042 HJQDQRAMNZOGCG-UHFFFAOYSA-N 359.393 3.272 0 1 FGAF CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCSCC3)nc21 6385188 AGENJFMITVLRBS-UHFFFAOYSA-N 355.467 3.062 0 1 FGAF Cc1cccc(-c2nn3c(c2-c2ccc(S(C)(=O)=O)cc2)CCC3)n1 27179179 PWGRLGIJMFMNRG-UHFFFAOYSA-N 353.447 3.270 0 1 FGAF c1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(OC2CCOCC2)n1 114759405 REWYYRDPMFBIQK-UHFFFAOYSA-N 353.426 3.494 0 1 FGAF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(NC=O)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)NC=O 2356551152 SJUBXKFUQQKUEC-FOXDZRQKSA-N 360.542 3.360 0 1 FGAF Cc1cc2nc(CO[C@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2cc1C 2356738248 ACZJPTFHOSIMOY-LPHOPBHVSA-N 354.429 3.314 0 1 FGAF CO[C@H]1CC[C@@H]2c3c(ccc(O)c31)[C@@]1(O)c3cccc(O)c3C(=O)C[C@@H]21 35241623 KILVFQPOBUNVMF-PQYYAGPLSA-N 352.386 3.115 0 1 FGAF C[C@@H](NC(=O)Nc1cc2n[nH]c(CNCC(F)F)c2cn1)c1ccccc1 219772790 YVBMKBKNOZPKTD-LLVKDONJSA-N 374.395 3.195 0 1 FGAF COc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 14648613 AAAQSJHHXMDZCO-SMDDNHRTSA-N 360.362 3.036 0 1 FGAF biogenic CC1CCN(CCn2c3ccccc3c3nc4n(c(=O)c32)CCS4)CC1 84596866 PQTVTOGESNBWJD-UHFFFAOYSA-N 368.506 3.189 0 1 FGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccco2)C1 82142625 XOMGJMDBTZALDN-CABCVRRESA-N 372.469 3.446 0 1 FGAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 40651160 PAXDZHPBDVTZOB-BGKJDFMNSA-N 367.489 3.350 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587229919 DKQWXWYPVFKKST-MNOVXSKESA-N 370.375 3.013 0 1 FGAF COc1ccc(C=O)c2cc(-c3nc4c(S)nc(S)nc4[nH]3)oc12 586904538 WJXKDVWBYOVAKZ-UHFFFAOYSA-N 358.404 3.165 0 1 FGAF CN(C)C(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166550 DLCWYLVFOLDMPV-MDZDMXLPSA-N 352.369 3.056 0 1 FGAF O=S(=O)(Cc1nc2cc(Br)c(F)cc2[nH]1)C1CCCC1 586925139 WBUWTVIAFVUGAK-UHFFFAOYSA-N 361.236 3.322 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Br)c2[nH]1 587225248 OGWXISDLMBKIRJ-NSHDSACASA-N 374.238 3.409 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(C)=O)C(=O)OCC)CC2=O 587480444 JWEFMZQCXHKLTR-QRWLVFNGSA-N 362.422 3.227 0 1 FGAF C[C@@H](F)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587124956 QBDGUXZZYQVBLA-MOFOKWOHSA-N 351.017 3.446 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(C=O)c4c(c1)CCCN4C)[C@@H](C2)C3=O 587444332 OIRISEFUBORCTE-HTAPYJJXSA-N 363.413 3.379 0 1 FGAF COC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807734 MWVDKYKUACMTNQ-RBIVETJNSA-N 356.235 3.291 0 1 FGAF CCOC(=O)[C@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442201 OYIZCIUFMXUBTM-IIBYNOLFSA-N 352.386 3.210 0 1 FGAF O=C(CCc1nc2cc(Br)ncc2[nH]1)Nc1cccc(F)c1 587164130 ZKNLYNSZTGMSFT-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF C[C@]1(C[C@@H]2CCCC(=O)N2)NC2(CC2)Cc2ccc(Br)cc21 961611849 DSNIAPOVRBMMPZ-WMLDXEAASA-N 363.299 3.401 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@H]([C@@H]3CCN(Cc4ccccc4)C3)c3cccc1c32 963038642 XGLWUPJFKWVSQD-PNCHPQGNSA-N 361.489 3.303 0 1 FGAF O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1cccnc1 140393834 ZTDOJPCUIXALSV-UHFFFAOYSA-N 373.419 3.386 0 1 FGAF COc1cccc(C(=O)N2CCc3oc(-c4ccc(F)cn4)nc3C2)c1 1772588717 KOBXUVVTLBQOHS-UHFFFAOYSA-N 353.353 3.083 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O 13520271 PGZGPYMGHNIKHG-HKQXQEGQSA-N 367.511 3.107 0 1 FGAF CCCN(C/C=C/I)[C@H]1COc2ccc(O)cc2C1 13739888 HDSARMPSJMIESZ-VUUYWXRKSA-N 373.234 3.356 0 1 FGAF O=C1Nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2CN1c1ccccc1Cl 101409810 NSHBSERFNQQOCC-BETUJISGSA-N 373.844 3.398 0 1 FGAF NC(=S)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)ccn1 1857577844 FYSFPSVJLBFIPN-UHFFFAOYSA-N 361.417 3.485 0 1 FGAF C[C@H](c1cc(OC(=O)N2CCCC2)c2ncccc2c1)N1CCOCC1 1857589306 SOTQXSCJSYJHKR-OAHLLOKOSA-N 355.438 3.223 0 1 FGAF COc1ccc(-c2nnc(-c3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 1633138 MCNUDOMMWCXLIU-UHFFFAOYSA-N 362.389 3.210 0 1 FGAF Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12 6529090 QXWLAEDIRLEZFB-UHFFFAOYSA-N 361.492 3.062 0 3 FGAF CC(C)NCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1cccs1 7002576 DVQRWQWDLCIXKX-DLBZAZTESA-N 358.463 3.111 0 1 FGAF Cc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 28472809 TWZULWIHTIHVRN-MVWRLGRASA-N 363.479 3.003 0 1 FGAF CN(C)C[C@@H](COc1ccccc1CCc1ccccc1)OCCC(=O)O 29487855 MMXKPBKHJPPIGV-FQEVSTJZSA-N 371.477 3.272 0 1 FGAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(CCCC)cc3)c2n1 28571423 MOMHIACBPUHDKR-UHFFFAOYSA-N 368.485 3.305 0 1 FGAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccccc1 29215412 PVBDIZPVBWALEO-XLIONFOSSA-N 356.491 3.069 0 1 FGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@H](C)[C@@H]2C(=O)[C@@]2(O)C[C@H](CC(C)C)NC2=O)C1 2356866634 WGUBLCYMEGYPMR-BTWKCTJFSA-N 359.510 3.406 0 1 FGAF COC(=O)[C@]12Cc3ccccc3[C@@H]1C[C@H](C)[C@@H](C)N2C(=O)C(F)(F)F 66129288 XLELXJZZMSCKDP-UOHMRFDXSA-N 355.356 3.057 0 1 FGAF CCc1nc(N)nc(N)c1OCCCOc1ccccc1C(F)(F)F 62611189 HVKMGDGEKJADAB-UHFFFAOYSA-N 356.348 3.070 0 1 FGAF in-vitro CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)[C@@H]3C2=O)cc1 4260695 PJCGAXQBEAVSAY-MSOLQXFVSA-N 369.465 3.026 0 1 FGAF biogenic CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1 72114373 PKZQWRQFFLAPRP-UHFFFAOYSA-N 373.522 3.279 0 1 FGAF COc1ccc([C@H](c2cc3c4c(c2)CCN4C(=O)CC3)n2ccnc2)cc1 95555687 DUGRTHFSQYWGTH-OAQYLSRUSA-N 359.429 3.365 0 1 FGAF COCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 141293774 VFOVTLYQZFVYSA-UHFFFAOYSA-N 367.405 3.000 0 1 FGAF COc1cc([C@H]2C/C(=C/c3cc(OC)c(O)c(OC)c3)C(=O)O2)ccc1O 238784591 PNSSOAJYLBAZQQ-IIEJUSTOSA-N 372.373 3.195 0 1 FGAF Nc1nccc(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)n1 96175043 QJQQPKWBHPFTEZ-UHFFFAOYSA-N 355.361 3.109 0 1 FGAF Cc1cc(N)nc(CCc2cccc([C@H](N)Cc3cc(C)cc(N)n3)c2)c1 98209389 HPGDXHOKQNTRIC-HXUWFJFHSA-N 361.493 3.286 0 1 FGAF in-vitro CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCc3ccccn3)[C@@H]2CC1 299806623 DSCIUBVFRMHIML-SPNOPHAYSA-N 370.493 3.049 0 1 FGAF CC[C@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2CCOC 299843377 QVZAJXSHUZWRIT-CTNGQTDRSA-N 360.498 3.077 0 1 FGAF O=C(c1n[nH]cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656945 MZLGTRMMOQWKBN-UHFFFAOYSA-N 368.755 3.268 0 1 FGAF CCOC(=O)C1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587409317 RJVVDSQQNBRXCU-NRFANRHFSA-N 365.385 3.277 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587453412 YWQAACFKJICFJE-VCAMNPENSA-N 350.370 3.059 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4[nH]c(=N)oc14)[C@@H](C2)C3=O 587423101 UCRMPPTZABCMMN-MGPLVRAMSA-N 356.765 3.391 0 1 FGAF Cc1cc(Br)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587137815 MXKASALFUCBISE-UHFFFAOYSA-N 373.189 3.416 0 1 FGAF COC(=O)c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1 13677070 GZFLVMQCBWCMCT-UHFFFAOYSA-N 365.385 3.083 0 1 FGAF Cc1ccccc1CN1CCCC[C@H](NC(=O)Cc2cccs2)C1=O 200049976 PJOZTEMBONUMCT-SFHVURJKSA-N 356.491 3.297 0 3 FGAF CCCNC(=O)c1c(NC(=O)c2ccc(F)cc2F)nc2ccccn12 1857576233 NIVKDWJFMCRRQQ-UHFFFAOYSA-N 358.348 3.005 0 1 FGAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)cc1 2483157 LBVCUNZRMCJEBP-UHFFFAOYSA-N 370.380 3.269 0 1 FGAF CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)NC3CCCCC3)cc21 6893016 JUXXHPAHMOMOQS-GFCCVEGCSA-N 368.524 3.145 0 3 FGAF CCCCCOc1ccc(C[C@H](NC(=O)c2cccnc2)C(=O)O)cc1 27844663 AHCOQKXDGVHTBL-SFHVURJKSA-N 356.422 3.076 0 1 FGAF COc1cc(C=C2CCn3c2nc2ccccc2c3=O)cc(OC)c1O 2356648235 UBCUTNIGHUVICE-UHFFFAOYSA-N 350.374 3.064 0 1 FGAF CC(=O)c1ccc(-c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)cc1 64744329 JRQZYXKUJJDQMP-KRWDZBQOSA-N 371.444 3.344 0 1 FGAF COCCNc1nc(NCCOC)c2sc(-c3ccccc3)cc2n1 61897464 BBRCKGGIOKFCIO-UHFFFAOYSA-N 358.467 3.475 0 3 FGAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1 34228706 IDJJEQCQGNUAIG-UHFFFAOYSA-N 374.416 3.465 0 1 FGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12 36470992 CXBCJDYMIUQXNZ-ZDUSSCGKSA-N 352.463 3.226 0 1 FGAF CNc1nc(NCCc2ccccc2OC)nc2cc(OC)c(OC)cc12 82131553 HVYDQHAWAHUKTJ-UHFFFAOYSA-N 368.437 3.352 0 1 FGAF CCCCNc1nc(-c2ccc(S(N)(=O)=O)cc2)cc(C(F)(F)F)n1 43019984 CXCYSZHREGZWQZ-UHFFFAOYSA-N 374.388 3.022 0 1 FGAF Cc1ncc(C)n2nc(CCc3ccc4c(F)c(F)cc(F)c4n3)nc12 144574700 FXBMVZKKWQDMJE-UHFFFAOYSA-N 357.339 3.492 0 1 FGAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccco3)cc21 95563209 JCSWHXALJLZXNP-AWEZNQCLSA-N 371.389 3.109 0 1 FGAF COc1cc(C(=O)[C@@H]2COC(C)(C)c3cc(O)c(OC)cc32)ccc1O 238754984 VXHNARHHEYGPIT-CYBMUJFWSA-N 358.390 3.347 0 1 FGAF COCc1cc(NC(=O)c2ccco2)cc([C@]2(C)CCSC(N)=N2)c1 96174286 JTRGZWVQZWTHDK-SFHVURJKSA-N 359.451 3.345 0 1 FGAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCc1ccco1 25428229 SEUCFFWPLINLFB-FUHWJXTLSA-N 354.450 3.474 0 1 FGAF biogenic Fc1cc(Br)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587161518 UKXSYQUGBPFBRL-UHFFFAOYSA-N 357.233 3.499 0 1 FGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC 587401335 WGEWWWPIKCNPDY-HXUWFJFHSA-N 357.406 3.484 0 1 FGAF Cc1nccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774616 MZDUKKGUFAIUJS-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586886459 BURTYYHOLREEBD-VODUFIJXSA-N 359.495 3.281 0 1 FGAF CCOC(=O)C[C@@H](C(=O)OCC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522246 GLDHTPKHYGAKSS-SJLPKXTDSA-N 374.433 3.032 0 1 FGAF CCOP(=O)(C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587451533 YYMHAFFJWIXULL-DYVFJYSZSA-N 354.339 3.467 0 1 FGAF FC(F)COc1cccc(-c2nc3c(Br)nccc3[nH]2)n1 587126044 VHMKJWUOFLTMPO-UHFFFAOYSA-N 355.142 3.426 0 1 FGAF CN1CCN(c2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)CC1 587108376 KPJWDGDAFSOILO-UHFFFAOYSA-N 361.371 3.396 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](C2CCN(Cc3cccs3)CC2)N1 962907949 SUSJJIYMKFAVAL-HKUYNNGSSA-N 374.481 3.439 0 1 FGAF Cc1cnc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963033869 VLOJHDCBKKJTGK-ADLMAVQZSA-N 372.266 3.295 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccccc1C=O 963188489 JWEWVSOJVJCCKI-NRFANRHFSA-N 367.445 3.257 0 1 FGAF C[C@@]1(c2occc2Br)N[C@H](C(=O)O)Cc2cccc(F)c21 962917261 FRERZDNHXKFNKQ-XHDPSFHLSA-N 354.175 3.044 0 1 FGAF COc1ccc2c(c1OC)[C@H](c1cnn(CC(F)(F)F)c1)N(C)[C@@H](C)C2 962633084 SIXOMNHXDKETII-ZBEGNZNMSA-N 369.387 3.428 0 1 FGAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCc2n[nH]cc2C1)CCC3 13817872 RTLYDCLNWRVYQW-OAQYLSRUSA-N 350.466 3.165 0 1 FGAF O=c1ccoc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 13860920 CVMQOCJAUOWQRA-UHFFFAOYSA-N 364.445 3.384 0 1 FGAF CCOc1cc(OCC)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953231 UXQFXLBBPPHNHB-KRWDZBQOSA-N 357.410 3.006 0 1 FGAF O=C(NN1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1 14975651 BNSNZABUVFFRKP-UHFFFAOYSA-N 369.856 3.447 0 1 FGAF in-vitro Cn1c(C(=O)OCc2ccccc2)nc2cccc(OC3CCNCC3)c21 1857538053 JBSVOHIMKPYBAB-UHFFFAOYSA-N 365.433 3.061 0 1 FGAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)N1CCOCC1 768664 YVWUQMNTNLMPEJ-PKOBYXMFSA-N 370.836 3.291 0 1 FGAF CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C)C(C)C 1626442 AOAICZVPHIDOQP-UHFFFAOYSA-N 358.526 3.015 0 1 FGAF NNC(=O)c1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 2548647 QXCGOOARJDYEDD-UHFFFAOYSA-N 373.456 3.143 0 1 FGAF CC1(C)C(=O)c2ccc(C(F)(F)F)cc2[C@@H](n2ccccc2=O)[C@@H]1O 3775892 NSVGUVLRUGAYFY-ZBFHGGJFSA-N 351.324 3.040 0 1 FGAF O=C(c1ccccn1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100105860 FXKSXMUQYOCEFO-KOUNCHBCSA-N 373.431 3.468 0 1 FGAF O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2c2ccccc2)[C@]12CO2 101609364 UOJNGNCLTBEZAO-NWJSVONSSA-N 352.171 3.077 0 1 FGAF CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 27981180 ASSFTGNZZQBCNK-AUJXTHRFSA-N 362.466 3.169 0 1 FGAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccsc1 64448801 NWVRKYDDQPCIMO-JQIJEIRASA-N 358.371 3.167 0 1 FGAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](O)[C@@H]3CC[C@H]4C(C)(C)[C@H]1C[C@]243 2356673224 JVMIMRFLGUGLOG-LAMSJBEGSA-N 362.466 3.184 0 1 FGAF Cc1cccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 2356703323 XMUHALYTURLGKF-KXBFYZLASA-N 354.429 3.016 0 1 FGAF COc1cc(Cn2ncc3c4sc(C)cc4n(C)c3c2=O)cc(OC)c1 36380407 MOFJDOVGNJXNLE-UHFFFAOYSA-N 369.446 3.324 0 1 FGAF NC(=O)Nc1snc(S[C@@H]2CCc3cc(Cl)ccc32)c1C(N)=O 36348982 HEBJWJMMXHCUJW-SECBINFHSA-N 368.871 3.166 0 1 FGAF CN(C(=O)CCCOc1ccc2c(c1)CN1CCNC1=N2)C1CCCCC1 49864960 RTACMDBYFAZBMP-UHFFFAOYSA-N 370.497 3.043 0 1 FGAF CC1(C)OC(=O)[C@@H](c2cccc(F)c2)[C@@H]1c1ccc(S(C)(=O)=O)cc1 40762671 SRBHRJQIWKGVHK-IRXDYDNUSA-N 362.422 3.432 0 1 FGAF On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(Cl)n2)n1 96910960 AZDLJOBMHCGAGZ-UHFFFAOYSA-N 357.845 3.153 0 1 FGAF CC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95878089 PAWFNCKMXJFLIW-JRGCBEDISA-N 354.425 3.213 0 1 FGAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)C[C@H](C(C)(C)O)O2 95591632 FWTSPMKFNWEBKW-MAUKXSAKSA-N 370.401 3.182 0 1 FGAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)cc1 254004955 SUQNPPWHLMFZBZ-SJDZLNHWSA-N 362.267 3.488 0 1 FGAF COc1cc2nc(=S)n(CCN3CCCC[C@H]3C)c(O)c2cc1OC 253530845 BGELUCYWINENLM-GFCCVEGCSA-N 363.483 3.363 0 3 FGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cccc(OC)c2O[C@@H]31 473093118 SVEVACWFROAWPH-FQEVSTJZSA-N 350.374 3.275 0 1 FGAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 299845003 AMWQFNROCOUNTL-QAPCUYQASA-N 353.470 3.033 0 1 FGAF COC(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1OC 587034829 HZQBEZMRQMUIGF-CYBMUJFWSA-N 358.419 3.276 0 1 FGAF c1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018197 WAYVEXTTXFJRCM-UHFFFAOYSA-N 350.403 3.443 0 1 FGAF O=C(O)c1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526881 ROUXQEZDUYVZRB-NRFANRHFSA-N 363.369 3.076 0 1 FGAF COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427602 JAXPJYHJULCWOH-QRWLVFNGSA-N 356.349 3.040 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2c(n1)SCC2 587619287 RIVDLGYOPAUMLF-QAPCUYQASA-N 366.398 3.397 0 1 FGAF CCOC(=O)N1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587766686 HJOLKDIQBGWXEV-MGPLVRAMSA-N 371.250 3.180 0 1 FGAF Cc1cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1C 587202171 GGYVPPCNQJAUIF-QGZVFWFLSA-N 367.405 3.102 0 1 FGAF CS(=O)(=O)/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586923462 MAQNEERAUMEVLE-IHWYPQMZSA-N 369.162 3.360 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnc(Cl)[nH]c-2n1 587043616 UDQBDTULBAQNAG-JTQLQIEISA-N 366.233 3.267 0 1 FGAF COC(=O)[C@H](C)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641809 SGXVIIVIHWFCAP-XTQVGHSUSA-N 364.489 3.458 0 1 FGAF CCCSc1nc(Oc2ccc(Cl)cc2)c2nnn(CCO)c2n1 1772580625 SOEQCHQVRRXNDS-UHFFFAOYSA-N 365.846 3.161 0 1 FGAF CC(=O)c1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)s1 13600526 XJUDFEKEOWOXEJ-UHFFFAOYSA-N 364.430 3.224 0 1 FGAF CCc1cc(Nc2cc(=O)n(CCCCCCCCO)c(=O)[nH]2)ccc1C 13674925 NUPMGLYRZDFVFI-UHFFFAOYSA-N 373.497 3.484 0 1 FGAF COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F 13759874 ALLWDYBEXBKRLB-UHFFFAOYSA-N 369.849 3.420 0 1 FGAF CC(C)NC(=O)c1ccc([C@H]2CCCN2Cc2cnn3cccnc23)s1 19218520 GBSRTZBVBHQTLX-OAHLLOKOSA-N 369.494 3.266 0 1 FGAF C[C@@]1(c2nc3ccc(F)c(C(N)=O)c3[nH]2)CCCN1Cc1ccccc1 1857564024 GDHNESWELSMZFD-FQEVSTJZSA-N 352.413 3.312 0 1 FGAF COc1ccccc1CCn1c(=O)c(-c2cccs2)nc2cncnc21 4239075 DLBHSZCXIWQGTD-UHFFFAOYSA-N 364.430 3.166 0 1 FGAF Cc1c(S(=O)(=O)N2CCC(C(=O)O)CC2)sc2ccc(Cl)cc12 103053860 NZUNSFAHNQMFSW-UHFFFAOYSA-N 373.883 3.348 0 1 FGAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)c2ccco2)cc1 29398958 JXXVADUYUWTJMS-UHFFFAOYSA-N 373.386 3.308 0 1 FGAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)CCc1cccs1 61897547 RCVLCWPDRYWZSV-LJQANCHMSA-N 372.446 3.039 0 3 FGAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@](C)(O)[C@@H]12 119256970 OCPGSVYCKLXPSO-ITMLBNAESA-N 362.510 3.293 0 1 FGAF in-man COCc1ccc(O)cc1CCN1CCCC[C@H]1[C@@H](O)c1cccc(O)c1 2356682151 NOJUKKVBEUQCAP-VXKWHMMOSA-N 371.477 3.375 0 1 FGAF COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1C1(O)COC1 216015289 QHYAXOOSKVLUMY-UHFFFAOYSA-N 373.792 3.413 0 1 FGAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)C1 8624207 PGVKXNHZDJDAAE-SJLPKXTDSA-N 359.433 3.121 0 1 FGAF biogenic Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)ccc31)[C@@H]1CC[C@H](C2)N1 73198003 VNXPNBKXJFLXQN-WBMJQRKESA-N 370.449 3.499 0 1 FGAF COc1ccc([C@@]2(CCN(C)C=O)CCc3ncccc3C2)cc1OC 14768390 RLKXKCNKLQKZLH-OAQYLSRUSA-N 354.450 3.004 0 1 FGAF biogenic COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 40918892 ZQAROOOPXQUHRV-ZIAGYGMSSA-N 373.405 3.169 0 1 FGAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1CCc2ncsc21 220861365 UVRFJKSUBFCSRU-ZWNOBZJWSA-N 357.262 3.330 0 1 FGAF NC1=NCC[C@@H](c2c[nH]c3cc(Br)c(Br)cc23)N1 45256677 QFUQQGJHGOKBAW-JTQLQIEISA-N 372.064 3.042 0 1 FGAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(C)cc3)ncn2)c1 198455989 COHCVNKRZPZKHT-UHFFFAOYSA-N 369.450 3.180 0 1 FGAF Clc1ccc2c(NCc3cn(CCN4CCCC4)nn3)ccnc2c1 473086006 ZUXWNBHASKJGQI-UHFFFAOYSA-N 356.861 3.188 0 1 FGAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc3c(c2)OCCO3)c1)C(=O)O 653687092 NEZVGXPNRPFTLH-CYBMUJFWSA-N 368.216 3.386 0 1 FGAF O=C(c1ccccc1CO)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661357 XUMISPXPTYQJCC-UHFFFAOYSA-N 374.371 3.383 0 1 FGAF COc1cc2nc(-c3cc(I)ccc3F)[nH]c2cn1 587182992 UAEQFFXFYWUPNN-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF Cc1cc(=NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)[nH]o1 587622891 IZWIVEBINNRNCE-UHFFFAOYSA-N 374.198 3.086 0 1 FGAF CC(C)Oc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586948642 KZNOSOPUFNZEPM-UHFFFAOYSA-N 359.451 3.312 0 1 FGAF Cc1c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903087 GYIMLCKYMQBUEK-KRWDZBQOSA-N 367.449 3.333 0 1 FGAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(N)=O)ccc3[nH]2)s1 587023890 WKAAEZIIMZQMDX-UHFFFAOYSA-N 359.411 3.132 0 1 FGAF COc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276011 JBWRVGSOLYECMV-UHFFFAOYSA-N 362.179 3.322 0 1 FGAF CCn1ncc(Br)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378538 UWUOTJPTLKQYLR-MRXNPFEDSA-N 364.243 3.437 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(OC(C)=O)ccc1OC)[C@@H](C2)C3=O 587442768 LMYTYKIGIYAXRZ-MGPUTAFESA-N 354.358 3.118 0 1 FGAF COC(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1OC 587162835 LVXSKWBKQZSMIV-UHFFFAOYSA-N 371.368 3.069 0 1 FGAF O=Cc1nc2c(cc1F)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1 1772592696 QITBYCLUAPDKPT-UHFFFAOYSA-N 368.290 3.432 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccccc2)cc1 169304369 LUMMUPRMCKAFHS-UHFFFAOYSA-N 367.430 3.443 0 1 FGAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cccc(F)c2)nn1 203462369 DNLIGIZRXVEASZ-UHFFFAOYSA-N 354.385 3.234 0 3 FGAF COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccsc2)cc1 205374021 MMYQYTWMWPZWLN-MRXNPFEDSA-N 358.419 3.128 0 1 FGAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccccc4F)nn3)ccc12 1857631445 LPDHQSIPZSCFNO-UHFFFAOYSA-N 351.337 3.400 0 1 FGAF COc1ccc(OC)c2c1C[C@@H]1c3cc(COC(C)=O)sc3CCN1C2 1857744346 SOUWIQAJKQCBLD-QGZVFWFLSA-N 373.474 3.484 0 1 FGAF C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 2952697 AXMHGSBHRYWPLA-CXAGYDPISA-N 369.465 3.113 0 1 FGAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@@H]2c1ccncc1 6494088 SUYFXQWRRZSUPU-IEMQHYRPSA-N 358.423 3.343 0 1 FGAF COc1cc(O)cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)c1 2356359730 RLPSCTFWRRFZRG-FVCZOJIISA-N 358.390 3.190 0 1 FGAF CC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 21324200 LNWUPBXWYOANKB-UHFFFAOYSA-N 350.462 3.326 0 3 FGAF COc1ccc(C[C@H]2C(=O)OCC2=Cc2ccc3c(c2)OCO3)cc1OC 2356498941 NEEJYTHQOJOWJT-MRXNPFEDSA-N 368.385 3.232 0 1 FGAF C[C@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1cccs1 61930597 CFWJHMOXKWJHLZ-GOSISDBHSA-N 362.882 3.251 0 3 FGAF CN1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)CC1 73168494 MGCTUPKJKSUAHV-UHFFFAOYSA-N 367.400 3.197 0 1 FGAF CCn1cnc2ccc3nc(C(=N)NCc4ccccc4)sc3c2c1=O 40847958 MLIBAHHZYPGWGI-UHFFFAOYSA-N 363.446 3.141 0 1 FGAF COc1cc(/C=C2/C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 135693969 MHLQLQUSZZCRFB-INQNZLQJSA-N 370.401 3.217 0 1 FGAF CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccsc2)cc1 43171623 YJKHBJBYAKVETF-IAGOWNOFSA-N 351.493 3.225 0 1 FGAF CCCNc1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c12 95558515 DDCGVRBUYFJQAK-UHFFFAOYSA-N 367.434 3.221 0 1 FGAF O=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)c2ccccc2c1O 653731206 HOPDZELMPICECF-UHFFFAOYSA-N 363.435 3.102 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN(C)C)cc1)[C@@H](C2)C3=O 587427198 CKUYQPDDZLRWSU-UWJYYQICSA-N 353.418 3.124 0 1 FGAF O[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1Cl 587057522 ARYHDCDEUHLRRK-SFHVURJKSA-N 357.841 3.130 0 1 FGAF Cc1nc(-c2c[nH]cc2-c2nc3nc(Br)c[nH]c-3n2)cs1 587020535 BAMWINQHRCYYPG-UHFFFAOYSA-N 361.228 3.494 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587784374 RGOCVMVYSFWDOO-UHFFFAOYSA-N 353.216 3.081 0 1 FGAF CC1=C[C@]2(C=C(C(=O)O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587830878 GKGZCJJWVBQFQV-ZKANADHPSA-N 368.202 3.220 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2CCF)N1 587716158 IPECBALGSMGZGO-PSLIRLAXSA-N 356.214 3.378 0 1 FGAF Cc1cc(Br)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1F 587137936 STCNGHWNYGBGFR-UHFFFAOYSA-N 356.586 3.247 0 1 FGAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3c(C(=O)O)cccc23)c2ccccc21 587639329 RTBJVVUEYWVMNM-OAQYLSRUSA-N 364.401 3.167 0 1 FGAF COc1cncc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119977 LTLRGERLKPZBTJ-UHFFFAOYSA-N 351.332 3.109 0 1 FGAF CCOC(=O)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796461 KHTDNVOBKGOILX-JDNHERCYSA-N 356.235 3.291 0 1 FGAF FC(F)(F)CCc1ocnc1-c1nc2nc(Br)c[nH]c-2n1 587092543 RFMCTVDEQOJKGW-UHFFFAOYSA-N 362.109 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587438120 MKRVNIMPVKELHG-LHSJRXKWSA-N 363.369 3.212 0 1 FGAF Cc1nccc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 587019241 ILIDEISKTPVGOU-UHFFFAOYSA-N 365.418 3.272 0 1 FGAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522080 FVBNEFTXMYAIFM-LAUBAEHRSA-N 358.434 3.448 0 1 FGAF Fc1cccc2c1CCN([C@H]1CCSC1)C21[C@H]2C[C@H]1CN(C1CC1)C2 962702131 MAWZAYPXBMIGRL-ZOBUZTSGSA-N 358.526 3.499 0 1 FGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1-c1cccnc1 962905219 WUADPPFOMOITFK-VQTJNVASSA-N 365.408 3.317 0 1 FGAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(OCCO)cc1 963289893 RGJAJQNNUUPMQI-GOSISDBHSA-N 362.267 3.398 0 1 FGAF Cc1c(CC(N)=O)c2cc(CCCC(=O)O)ccc2n1Cc1ccccc1 13446155 BQNSAALFXVNWGE-UHFFFAOYSA-N 364.445 3.433 0 1 FGAF CN(C)c1ccc([C@H]2Cc3n[nH]c(=O)c4cc(F)cc5[nH]c(c3c54)C2)cc1 150196343 FIXBSPKLTDSYJC-GFCCVEGCSA-N 362.408 3.492 0 1 FGAF CCCCC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622137 MZYZWZXTHYCVHQ-DCCGFWISSA-N 354.487 3.043 0 1 FGAF CCOC(=O)c1cccn1[C@H]1C(=O)N(C)c2ccc(OC(F)(F)F)cc21 206032673 AJBQMRZPPKAPNN-CQSZACIVSA-N 368.311 3.129 0 3 FGAF CN1C(=O)C(NCC2CCCCC2)=C(c2cn(C)c3ccccc23)C1=O 1857603933 SLLKILHCBQIYSF-UHFFFAOYSA-N 351.450 3.058 0 1 FGAF Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccnc2)nc1 1857667868 ONLKEXFAWZQWBF-UHFFFAOYSA-N 372.432 3.377 0 1 FGAF CC[C@]12CCCN3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 3947538 CITPXCNSMZMNIW-MNAPGUCWSA-N 370.493 3.432 0 1 FGAF biogenic,in-vitro CCOc1ccc(Cl)c(OCC)c1C(=O)NC[C@H]1CCCN1CC 28261717 YDMAUYZXZHCTMK-CYBMUJFWSA-N 354.878 3.352 0 1 FGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C(C)C)Oc3ccccc32)cc1 2356299034 SLXVBWZPFIOWTH-AZUAARDMSA-N 366.461 3.472 0 1 FGAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@H]3C[C@H]23)cc1 103201066 XVMITOBEQUYBIJ-FZMZJTMJSA-N 357.316 3.050 0 1 FGAF CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1ccccc12)C(=O)O 53683149 RZWYSEXQXOXWKA-INIZCTEOSA-N 363.460 3.442 0 1 FGAF in-vivo c1ccc2nn(Cc3nc4ccccc4n3CCN3CCCCC3)nc2c1 26275855 CSVUUUBNJNIONM-UHFFFAOYSA-N 360.465 3.315 0 1 FGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21 117692022 QLEJMZSGBHLAJO-NSHDSACASA-N 359.389 3.074 0 1 FGAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(CN4CCC[C@@H]4C[C@H]12)NC(=O)O3 2356793987 HRECJCSQVHRITB-RAAJRFSQSA-N 351.450 3.361 0 1 FGAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)cc1OC 61925707 PZYYEORDLJEREV-SFHVURJKSA-N 366.373 3.301 0 3 FGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 61895666 XOPBFODKGUAZFV-GFCCVEGCSA-N 359.344 3.391 0 3 FGAF CC(C)(C)OC(=O)NC[C@@H](NO)c1c[nH]c2cc(Br)ccc12 71340882 JIJDQZCQZVESSF-CYBMUJFWSA-N 370.247 3.475 0 1 FGAF CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 40980708 QDDZLTVSNABZIK-ZBFHGGJFSA-N 359.426 3.145 0 1 FGAF in-vivo COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C 136230086 OJRBXDNIVPJMHE-WBMJQRKESA-N 361.463 3.496 0 1 FGAF Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1 43133538 VQBZFHKHISYRMO-UHFFFAOYSA-N 363.425 3.231 0 1 FGAF CN(C)[C@H](CNc1ccc(C(N)=O)c2ncncc12)c1cccc(Cl)c1 143847239 BTLXOEZIMXLEQI-QGZVFWFLSA-N 369.856 3.097 0 1 FGAF COc1ccccc1CN1CCC[C@]2(Cc3ccccc3CNC2=O)C1 299849904 KVIQZPTWXMVMMR-QFIPXVFZSA-N 350.462 3.150 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccccc1 587604335 STLHKQMTYRCALX-UWJYYQICSA-N 362.337 3.334 0 1 FGAF COc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774205 TXOKCUDIXJADBY-AYVTZFPOSA-N 352.207 3.010 0 1 FGAF CC(C)[C@]1(Cn2cncn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587761504 UZUSYXAYQLMNMD-BZNIZROVSA-N 367.266 3.265 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1N1CCOCC1)O2 587381319 GYZXDSYZUMNQBQ-NRFANRHFSA-N 370.424 3.434 0 1 FGAF CNC(=O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514997 ZNCNWQVFDHIZQZ-FQEVSTJZSA-N 365.429 3.397 0 1 FGAF COC(=O)[C@]1(/C=C(\C)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587803792 BXTBRXXDIHUIKB-ILPFBAAHSA-N 372.234 3.041 0 1 FGAF COC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833809 ICNACCSNUNZWDX-MEBBXXQBSA-N 358.251 3.359 0 1 FGAF COc1ccc(-c2nc3cnccc3[nH]2)c(I)c1 587179529 BDEBRWYBQFYRBE-UHFFFAOYSA-N 351.147 3.238 0 1 FGAF O=C(c1ccccc1F)c1c(CO)oc2cc(Br)cnc12 587276843 WWPOHFILDUKQJN-UHFFFAOYSA-N 350.143 3.453 0 1 FGAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccn2)c2nc[nH]n2)cc1 962674790 YTXSMADQFNTGGG-JOCHJYFZSA-N 353.429 3.304 0 1 FGAF CC(C)C(=O)CC[C@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962645162 VCZQWLCZAMAWAQ-PXAZEXFGSA-N 373.371 3.405 0 1 FGAF Cc1ccccc1S(=O)(=O)c1ccc(N2CCC[C@H]2CC(=O)O)cc1 1772623615 KEBMTQUUYBYPGI-INIZCTEOSA-N 359.447 3.271 0 1 FGAF COc1cc(C2=C[C@H](c3ccc(F)cc3)NC(=S)N2)cc(OC)c1OC 1772643271 LBZXPYQDTBQMMG-CQSZACIVSA-N 374.437 3.411 0 1 FGAF O=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1 13494029 WMXDUMMKAXHXCU-UHFFFAOYSA-N 369.446 3.373 0 1 FGAF CN1CCN(c2nc3ccccc3c3c2CN(Cc2ccccc2)C3=O)CC1 13644246 BYJIHXTUHFPCPE-UHFFFAOYSA-N 372.472 3.143 0 1 FGAF CC(C)Sc1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12 15962528 YOVCQMUEQKINNA-JXMROGBWSA-N 369.475 3.490 0 3 FGAF COc1ccc(NC(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 169299149 GAKWIJXVOUCJFJ-MMOPVJDHSA-N 366.417 3.004 0 1 FGAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)cc1 169360745 SUQNPPWHLMFZBZ-JYHQJDCPSA-N 362.267 3.488 0 1 FGAF COC(=O)[C@@H]1C(=N)Oc2cc(N(C)C)ccc2[C@@H]1c1ccccc1OC 169687141 JOYVAWKMSYMQJC-ROUUACIJSA-N 354.406 3.052 0 1 FGAF COc1cccc(-c2[nH]c(=N)[nH]c2-c2cc(OC)c(OC)c(OC)c2)c1 1857573883 GOKXFAIPCJALLK-UHFFFAOYSA-N 355.394 3.191 0 1 FGAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)[C@H]1CCNC1 1857652382 OZJYGIBAAIHMDF-AWEZNQCLSA-N 350.447 3.420 0 1 FGAF COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 2492264 WWFHXZNZWHCQAF-GOSISDBHSA-N 374.481 3.197 0 1 FGAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCO 4213710 VMEPBGXVOFNXMR-RTBURBONSA-N 362.470 3.208 0 1 FGAF CNC(=O)[C@@H](OC)c1cccc(COc2ccccc2Br)c1 103177076 YDAUJNASTCPFBZ-INIZCTEOSA-N 364.239 3.462 0 1 FGAF Cc1ccsc1[C@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1 100276005 CSSARJKEGIDOKL-HUUCEWRRSA-N 369.398 3.394 0 1 FGAF COc1cc(OC)c2c(-c3cc(OC)c(O)c(OC)c3)cc(=O)oc2c1 27620051 QZLWVZZSWHWUTC-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF COc1ccc([C@]2(Cc3ccncc3)CCNC2=O)cc1OC1CCCC1 27319458 IJZDPIQKKPPCEB-JOCHJYFZSA-N 366.461 3.412 0 1 FGAF O[C@@H](c1cccc(Cl)c1)[C@](O)(Cn1cncn1)c1cccc(Cl)c1 26008792 CPVMOXCTWBWUSP-IRXDYDNUSA-N 364.232 3.206 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5ccccc45)C[C@@H]3C2)n1 116822870 UPDIDSMLOOSOTA-RTBURBONSA-N 372.472 3.455 0 1 FGAF CC(C)(C[C@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 28526292 YGYIVBNMBYBQGZ-NRFANRHFSA-N 353.418 3.414 0 1 FGAF COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CC[C@@H](NC(C)=O)C2)c1 118742948 FUMJKSZLZJFCAQ-GOEBONIOSA-N 371.412 3.140 0 1 FGAF CC(=O)CC[C@H](C=C[C@@](C)(O)C[C@H](O)C=C(C)CCC(=O)O)C(C)C 2356744015 UUPXPGYKZYACRW-QWFCFKBJSA-N 354.487 3.497 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)OC 33938996 WNBMQMMGBBWUOZ-IEDABHBOSA-N 366.498 3.340 0 1 FGAF CC[C@@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@H]2CCC=C(C(=O)OC)[C@@]12C 35259364 LWGCQRKMFZQHHZ-BTEKAGDJSA-N 374.433 3.231 0 1 FGAF C[C@H]1c2c[nH]nc2-c2ccncc2N1S(=O)(=O)c1ccc(Cl)cc1 45287181 IFSWJYDDFODZGS-JTQLQIEISA-N 360.826 3.395 0 1 FGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCC 82210765 YQZOOCIOQVXUAO-XRZKJLPKSA-N 364.530 3.435 0 1 FGAF CC(C)C[C@@H]1C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 473197818 FZBQZAKEZMXGDP-ULQDDVLXSA-N 361.438 3.006 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 587648457 AESSKHSLNGUICZ-UHFFFAOYSA-N 359.247 3.335 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587260388 VBYMKSFVNHUFKH-AWEZNQCLSA-N 373.844 3.318 0 1 FGAF Cc1cnn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579985 GGXLAGGOZHHHEP-YLJYHZDGSA-N 350.374 3.318 0 1 FGAF CCN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348368 WKBFLUMYESTFNS-PZJWPPBQSA-N 369.392 3.271 0 1 FGAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 586973887 RWMDXFAKZWKPMH-LBPRGKRZSA-N 361.858 3.117 0 1 FGAF Oc1ncnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080250 BHDVKOGWHNPKRM-UHFFFAOYSA-N 363.768 3.089 0 1 FGAF Cc1ccc(C)c2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc12 587023377 ACOXRBUDDIWFDE-UHFFFAOYSA-N 359.455 3.391 0 1 FGAF N=c1[nH]ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081588 QSZVWRWCLSKTMP-UHFFFAOYSA-N 361.796 3.401 0 1 FGAF Brc1c[nH]c2nc(-c3csc([C@H]4CCCO4)n3)nc-2n1 587016038 FFJGTDCVRSDBLL-SSDOTTSWSA-N 352.217 3.042 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127560 XFJXWUNRNLSSLH-UHFFFAOYSA-N 361.283 3.104 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ncnc4[nH]3)cc2N1 587126641 LSMOXIDIWUPGFA-FSPLSTOPSA-N 357.727 3.177 0 1 FGAF O=C(NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587569963 HPRMUNXIPRPAEH-AEFFLSMTSA-N 367.401 3.029 0 1 FGAF N=c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2[nH]1 587253267 FDOPJTAJIKJKGF-UHFFFAOYSA-N 359.433 3.023 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1cc(C)cc(C)n1 963185880 JDJMHJWATJBCPL-OAQYLSRUSA-N 368.477 3.456 0 1 FGAF Cc1cc(=O)oc2cc(NC(=O)CNCc3ccc(Cl)cc3)ccc12 1772629782 MVSDPGVSNUHWEG-UHFFFAOYSA-N 356.809 3.483 0 1 FGAF COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)c1 1772648714 MGDNKOAMJCAUJL-USNOLKROSA-N 372.417 3.493 0 1 FGAF COc1cc2onc([C@H]3CCCN3[S@@](=O)C(C)(C)C)c2cc1OC 206030109 LMZGVYOQSABWCE-YYUOZPCZSA-N 352.456 3.444 0 3 FGAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@H]1c1cnc[nH]1 201792574 YVQZXFQGNDBOKU-SFHVURJKSA-N 368.462 3.388 0 1 FGAF Cc1ccc(C(C)C)c(OCCSC(=S)N[C@H]2CCOC2=O)c1 1857565772 UTOJTYBOYXWJDT-AWEZNQCLSA-N 353.509 3.420 0 1 FGAF NCc1cc(Oc2cccc(C(=O)N3CC=CC3)c2)nc(C(F)(F)F)c1 1857600212 DJDIPNLVNIJRQH-UHFFFAOYSA-N 363.339 3.363 0 1 FGAF C[C@@]1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2 2467233 SSYHZMYJOVMEFI-NRFANRHFSA-N 372.465 3.135 0 3 FGAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCC1=CCCCC1 4119192 NYDRSYLCEGRZCT-UHFFFAOYSA-N 351.406 3.149 0 3 FGAF CCn1c(=O)cc(SCC(=O)Nc2cc(C)ccn2)c2ccccc21 4884858 IEABLFOLBLITOC-UHFFFAOYSA-N 353.447 3.456 0 1 FGAF O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12 101449058 RNXYTBTYYPYNEV-FPCVCCKLSA-N 372.218 3.269 0 1 FGAF COc1ccc2oc(=O)cc(-n3cc(COc4ccc(F)cc4)nn3)c2c1 103271644 KEOVDBRHZNELFP-UHFFFAOYSA-N 367.336 3.100 0 1 FGAF COc1ccc([C@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 66251499 KLFAJLHIJQPMNJ-ADLMAVQZSA-N 373.405 3.151 0 1 FGAF Cc1cc(OC[C@H]2CN(c3ccc(C4=CCOCC4)c(F)c3)C(=O)O2)no1 27421969 LZAQRYOHSGUUKC-OAHLLOKOSA-N 374.368 3.330 0 1 FGAF c1ccc(OCc2ccc3ccccc3n2)c(OCCCc2nnn[nH]2)c1 28221020 JKOZRYDIVATYIK-UHFFFAOYSA-N 361.405 3.339 0 1 FGAF COc1cc2c(cc1OC)CN1CCc3cc4c(c(OC)c3[C@H]1C2)OCO4 2356689772 XYERYVRUQUETKF-OAHLLOKOSA-N 369.417 3.097 0 1 FGAF CCCCC[C@H](O)c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC 28869278 YDQFLNGWDHFOQX-SDQIFQQYSA-N 364.482 3.379 0 1 FGAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NCC2 27322938 SMXVQIYDUOXWMH-UHFFFAOYSA-N 365.868 3.376 0 1 FGAF Cc1cc2c(s1)CC[C@@H](CN[C@@H]1CC[C@@H](Oc3ccccc3)[C@H]1O)C2=O 34800967 IMKMRGOTDDUQHF-JPCHKZQCSA-N 371.502 3.362 0 1 FGAF C[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)C1(c2ccccc2)CC1 61902477 KOVOWEPGQXEIMU-OAQYLSRUSA-N 374.444 3.224 0 3 FGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CP(=O)(OC)OC)C(=O)OC2 36338572 KPOOKSMWSHKVEC-UXBLZVDNSA-N 370.338 3.354 0 1 FGAF CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Cl)c(Cl)c1 71340599 OKMODECVUIAURE-CZUORRHYSA-N 357.189 3.097 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H]4CCCCO4)ncc23)ccn1 219754639 PVUDEVTXOCDDQX-CQSZACIVSA-N 366.425 3.019 0 1 FGAF COc1ccc2sc3c(c2c1)NC[C@@H](CNCc1ccccc1)NC3=O 43062907 UMTQCLJEOZEKRG-CQSZACIVSA-N 367.474 3.224 0 1 FGAF CC(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 96018989 PDUSZJOKFQDQEP-WMZOPIPTSA-N 357.516 3.032 0 3 FGAF C[C@@]1(O)C[C@@H](C(=O)O)[C@H]2CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]2C1 238753608 MSGBRRFYWMOJJU-CPSQXQKYSA-N 362.422 3.162 0 1 FGAF COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 253639128 PRYUUYRGVGJMAB-MOXWOTFGSA-N 366.461 3.332 0 1 FGAF COc1ccc([C@@H](C2=C(O)C[C@H](C)OC2=O)C2=C(O)C[C@@H](C)OC2=O)cc1 254239085 XKDKYJWYKNBBTJ-CULMDFNYSA-N 374.389 3.074 0 1 FGAF Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)cc2)n[nH]1 299845205 RCUFJSPQSAHGNP-QAPCUYQASA-N 353.470 3.033 0 1 FGAF CC1(C)OCc2c(Nc3n[nH]c4cccc(F)c34)nc(-c3cn[nH]c3)nc21 653707453 XLSRHUQCTDISSD-UHFFFAOYSA-N 365.372 3.391 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCS(=O)(=O)c3ccccc31)O2 587408777 DJUXURCXDDCNID-IBGZPJMESA-N 357.431 3.005 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(N)=O)c2)N1 587749334 OCGBTHDODHCPNA-XXFAHNHDSA-N 363.230 3.311 0 1 FGAF COC(=O)CC1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812575 ZWGZGHMRKCRZKD-PWGATLRDSA-N 356.235 3.291 0 1 FGAF Clc1cnc2[nH]c(-c3cncc(I)c3)nc2c1 587184947 NVVQUBWTPXHFAN-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@@H](C(=O)O)NC[C@H]31 587106054 HUSXGAASZLQGOY-QOKQMOMRSA-N 370.408 3.149 0 1 FGAF Cc1nccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774615 MZDUKKGUFAIUJS-JDNHERCYSA-N 350.235 3.484 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccn3n2)N1 587796133 PIZYWPLCURQMLL-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763311 JETVMDVCZCUGTJ-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587232683 ZKWPRHAEGCNPDK-UHFFFAOYSA-N 362.389 3.294 0 1 FGAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758920 YZFCPDDUHJHCKK-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1ccccc1C)O2 587397501 BEFJQFBXASNPDO-QFIPXVFZSA-N 366.461 3.079 0 1 FGAF N=c1[nH]ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586958096 CMYBVYCIDLZEMP-AREMUKBSSA-N 362.458 3.409 0 1 FGAF CC(=O)[C@@H]1CCC(C)=C[C@@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971119 GXRBZPSBPDDUHF-UCMVZMLTSA-N 369.795 3.358 0 1 FGAF O=C(CCCCC1CCCCC1)OC[C@H]1COCCOCCOCCO1 1772622873 FQHJZQANSGLIPM-LJQANCHMSA-N 372.502 3.119 0 1 FGAF O=C(NC[C@@H]1CCCN(C(=O)c2cscn2)C1)c1ccccc1Cl 12003773 UZFYGSNTFQTYHK-LBPRGKRZSA-N 363.870 3.079 0 3 FGAF COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 40379538 WEEWAVMLLVLCNC-AWEZNQCLSA-N 373.416 3.329 0 1 FGAF C[C@]1([C@H](O)C=Cc2ccccc2)C(=O)O[C@H](CCc2ccccc2)C[C@@H]1O 2356606029 ZYORESFJFXBQPU-CUDBPUKSSA-N 366.457 3.376 0 1 FGAF Cc1cc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@H]3F)[nH]c2cc1C 2356738250 ACZJPTFHOSIMOY-VQIMIIECSA-N 354.429 3.314 0 1 FGAF CCC[C@H](CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)O 34803448 AWKDTQNBJJUGCQ-OAHLLOKOSA-N 361.438 3.483 0 1 FGAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccccc2C)nn1 1911576337 OEISFZDVJTXMPF-CSKARUKUSA-N 365.389 3.261 0 1 FGAF O=C(CCc1ccc2c(Cl)c(O)ccc2c1)Nn1cccc1C(=O)O 1911581042 ASWHESLQLRNJJY-UHFFFAOYSA-N 358.781 3.401 0 1 FGAF CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 39011663 MZYZWZXTHYCVHQ-PGWUFSIFSA-N 354.487 3.043 0 1 FGAF O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(O)c2nc(-c3cccs3)[nH]c12 653662922 DSUNIVRRAJRRDJ-XYPYZODXSA-N 357.435 3.030 0 1 FGAF CCOc1ccc(-c2nn(C(=O)OC)c(=O)c3ccccc23)cc1OCC 587668599 DLJDIPPHIHYXLN-UHFFFAOYSA-N 368.389 3.475 0 1 FGAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587763308 JETVMDVCZCUGTJ-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF COc1cc(C(C)=O)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587944119 BWIOAMMPTSLIGZ-AWEZNQCLSA-N 354.309 3.330 0 1 FGAF COc1ccc(S(=O)(=O)Cc2nc3ccc4ncccc4c3[nH]2)cc1 586919994 CAQWHGSQFPTNFP-UHFFFAOYSA-N 353.403 3.094 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]ccc2=N)N1 587748771 YIYANMARRMGOJV-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(C=O)c4c(c1)CCCN4C)[C@@H](C2)C3=O 587444335 OIRISEFUBORCTE-JTSKRJEESA-N 363.413 3.379 0 1 FGAF COCC1(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)CCC1 587923785 OFENSBZQNSJGPC-UHFFFAOYSA-N 366.508 3.274 0 1 FGAF COc1ccc([C@@]2(COC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403745 QHDYCJSFCMSMCG-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)ncc3[nH]1)C2 587247332 PHYJTMYQDBTQNL-QGZVFWFLSA-N 373.254 3.072 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587117784 WMTLTLWKZLRGEP-LLVKDONJSA-N 358.711 3.359 0 1 FGAF CCOC(=O)C(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859512 XRCZTMYVEBSDJZ-UHFFFAOYSA-N 357.193 3.459 0 1 FGAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587236325 UQCAGNJIGZXLIU-RQJHMYQMSA-N 351.250 3.450 0 1 FGAF CCOc1nc2sccn2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453694 RWHMNAGWCULXBS-BZNIZROVSA-N 356.403 3.292 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)ncnc4[nH]3)cc2N1 587126645 LSMOXIDIWUPGFA-VDTYLAMSSA-N 357.727 3.177 0 1 FGAF NC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587575702 KMDDBBNNAAPLGU-DENIHFKCSA-N 373.364 3.442 0 1 FGAF CCCCC[C@@H](O)CC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496274 LLQBSJQTCKVWTD-PZIPTPMKSA-N 356.503 3.267 0 1 FGAF endogenous,in-man Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(C[C@H]2CCCO2)c1=O 4238242 LMTQKOYKITTYSX-CQSZACIVSA-N 372.812 3.120 0 1 FGAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@]1(C)O 2356523662 AFIBREVUBDLIAK-NJYVYQBISA-N 356.441 3.028 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@]13[C@@H](CC2)[C@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O 2356606381 NHTHQAOIQLEDDF-ZILADGCBSA-N 362.510 3.460 0 1 FGAF COc1ccc(N2C(=O)N(Cc3ccccc3)C(=N)C2=S)c(OC)c1 71281020 PPXSEFFBUIQDKM-UHFFFAOYSA-N 355.419 3.451 0 1 FGAF Nc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CCCC4 45300893 UDIQFOMCXCDTLF-UHFFFAOYSA-N 371.853 3.209 0 1 FGAF Cn1c(Nc2ccccc2Cl)nc2cnc(NC3CCOCC3)nc21 40567720 RCWDVKZXJPLVGZ-UHFFFAOYSA-N 358.833 3.351 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]nc1NCc1ccncc1 40873657 LBPHTESOYSCSHT-UHFFFAOYSA-N 362.315 3.083 0 1 FGAF CCN(CC)c1nc(NCCNC(=O)c2ccccc2)c2ccccc2n1 40465746 YVTLEJDGHSEAMW-UHFFFAOYSA-N 363.465 3.318 0 1 FGAF CCOCCn1c([C@@H]2CCCN(C3CCOCC3)C2)nc2ccccc21 49071643 WQOMZYPBVOXQJY-QGZVFWFLSA-N 357.498 3.431 0 1 FGAF CCN(CC)[C@@H](c1ccnc2ccc(OC)cc12)c1nnnn1C(C)(C)C 84742383 CDYCORDKUVIVEM-SFHVURJKSA-N 368.485 3.416 0 1 FGAF Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12 49069320 GMRHTQCCQOJVEP-UHFFFAOYSA-N 373.395 3.105 0 1 FGAF COc1cc(OC)cc(Oc2cc(NCCc3ccccn3)ncn2)c1 82067723 MZUMLRWZJFRXFM-UHFFFAOYSA-N 352.394 3.336 0 1 FGAF COc1ccc2c(c1)OC[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49046976 JIZKJDRPIQFNMN-CQSZACIVSA-N 373.416 3.329 0 1 FGAF Fc1ccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)cc1 82067354 HUUURSJMBSYZTA-UHFFFAOYSA-N 351.385 3.130 0 1 FGAF COc1ccc([C@@H](C(=O)Nc2c(C)cccc2C)N2CCN(C)CC2)cc1 199245409 QLKMWOHLJJRLRD-NRFANRHFSA-N 367.493 3.239 0 3 FGAF CC(C)n1ncc2cc(-c3cc(=O)n4ncc(-c5ccnn5C)c4[nH]3)ccc21 142788264 BNCGYGYBQBUYAJ-UHFFFAOYSA-N 373.420 3.021 0 1 FGAF c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)nc1 96168796 GXPFOQNQEOSJNC-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF CC(C)Cc1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142111965 GQBGZBAWFLWCIO-CHWSQXEVSA-N 374.445 3.212 0 1 FGAF CCCCC[C@@H]1C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O1 85980796 PENUWXDRGVMHGY-XMTFNYHQSA-N 372.502 3.266 0 1 FGAF biogenic Clc1cnc(Br)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 587005847 WFRNITAXLBFDDU-UHFFFAOYSA-N 367.590 3.207 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ncccn23)N1 587775637 SOXJFESPPBJJPH-BJOHPYRUSA-N 361.218 3.255 0 1 FGAF CCCn1cnc2cc(-c3nc4ncc[nH]c-4n3)cc(Br)c21 587003941 OBNLSROGQIOPJJ-UHFFFAOYSA-N 357.215 3.494 0 1 FGAF NS(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073693 LEPBVLKLHREIMD-UHFFFAOYSA-N 361.854 3.138 0 1 FGAF CCc1cc(O)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661045 LNSWAOYSHMYDHS-UHFFFAOYSA-N 362.364 3.250 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccnc(Br)c2[nH]1 587052677 HSLQTXMTZQITAT-SECBINFHSA-N 367.634 3.322 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@@H](C)C(=O)O)cc1)O2 587398059 AHDOSGBNVPIKRS-YUNKPMOVSA-N 355.390 3.310 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(OC)cc(OC)c3[nH]2)c1Br 586980420 YFSRCQDDERRUBL-UHFFFAOYSA-N 367.203 3.131 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncncc32)N1 587777276 GLWOJSZAZFQKDZ-DYZYQPBXSA-N 362.246 3.492 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029581 QQTBOQWISBNLSA-UHFFFAOYSA-N 366.402 3.447 0 1 FGAF CCOC(=O)c1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)o1 962641193 ZIVJZVHEJYPIOQ-XIKOKIGWSA-N 359.422 3.439 0 1 FGAF CC(=O)Nc1ccc([C@@]2(CCC(=O)O)NCCc3ccc(F)c(C)c32)cc1 962094653 UGXRPRVLXSOGJH-OAQYLSRUSA-N 370.424 3.347 0 1 FGAF Cc1ccc(CN2CC[C@@H](N3CC(c4ccc(O)cc4)C3)C2=O)cc1F 1772581482 IESUXIJJIRXKNX-HXUWFJFHSA-N 354.425 3.040 0 1 FGAF Cc1c(CNc2cc(C(F)(F)F)ccc2F)cnc2nc(N)nc(N)c12 5891467 WASQWUJCODWDTO-UHFFFAOYSA-N 366.322 3.268 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](CF)C2 13517577 ZVBJVGBGWLUEOH-HNNXBMFYSA-N 354.834 3.125 0 1 FGAF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc(Cl)cn1 13746129 DQDAIFUYYLPMLD-DEOSSOPVSA-N 360.870 3.295 0 1 FGAF C[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1 15935269 BYVCVVRYJBYXLS-FXAWDEMLSA-N 350.462 3.030 0 3 FGAF Cc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 208119852 UMCBXBVXGADQEI-UHFFFAOYSA-N 370.460 3.382 0 1 FGAF CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1 1381351 IIZRFHCZOLNENY-MRVPVSSYSA-N 363.222 3.295 0 3 FGAF CCCCCC[C@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O 2356317173 UELDUQRKWMQXCM-PXNSSMCTSA-N 362.422 3.016 0 1 FGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205314 SRRHFMWOIPRSKC-AOIWGVFYSA-N 372.852 3.319 0 1 FGAF Cc1ccc(CNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)cc1 6798261 KSWHXDMURZUPGU-INIZCTEOSA-N 352.434 3.206 0 3 FGAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccnc1 2356290550 WFFWRBYKNNINNZ-LLVKDONJSA-N 357.797 3.373 0 1 FGAF NC(=O)O[C@H](CCCN1CCN(c2ccccc2)CC1)c1ccccc1 118079496 UBEFATOHTBJESS-HXUWFJFHSA-N 353.466 3.425 0 1 FGAF COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)c1 102610482 VXFWUBASHMOLJV-OSLDLMBLSA-N 359.422 3.336 0 1 FGAF Cc1c(-c2ccc(O)cc2)n(CCCCNCCN)c2ccc(O)cc12 29406201 FHMZBDMQUWFWAK-UHFFFAOYSA-N 353.466 3.356 0 1 FGAF O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCn1ccnc1 26380885 AIDMLUBNRHBFDM-UHFFFAOYSA-N 360.845 3.190 0 1 FGAF COc1ccc(-c2ccc(C(N)=O)nc2)cc1OC1Cc2ccccc2C1 27868548 IFYUDMKLSNPDJK-UHFFFAOYSA-N 360.413 3.402 0 1 FGAF CC(C)=CCc1ccc2c(C[C@H]3NC(=O)[C@H](CC(C)C)NC3=O)c[nH]c2c1 2356698131 IQXLYGNDMKLCLM-VQTJNVASSA-N 367.493 3.248 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 71755604 PXGPLTODNUVGFL-HOJKLPIESA-N 354.487 3.043 0 1 FGAF Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 45497822 QVMYFGSETVJBSQ-NQIIRXRSSA-N 351.494 3.198 0 1 FGAF COc1ccc(OC)c(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95591007 VUPUTDDLTBAWRC-UHFFFAOYSA-N 352.394 3.416 0 1 FGAF O=C(N1CC(c2nc(-c3cccc(Cl)c3)no2)C1)N1CCC[C@@H](F)C1 95572432 JYQOJKUGNOJOTB-CQSZACIVSA-N 364.808 3.343 0 1 FGAF COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)[C@H]2c2ccco2)cc1 95585902 OZIROVZJQZMINS-SFHVURJKSA-N 370.405 3.344 0 1 FGAF O=C(O)Cn1c(=O)c(Sc2ccc(Cl)cc2)nc2ccc(F)cc21 299863597 LEOPRTVWHGCIDH-UHFFFAOYSA-N 364.785 3.425 0 1 FGAF COC(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1OC 587088537 OIIHFQCLCZDHQU-SECBINFHSA-N 351.353 3.108 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(CCc3cc4ccccc4o3)[nH]c12 586906292 AVRXFCXZXIFLCO-UHFFFAOYSA-N 369.446 3.345 0 1 FGAF NC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580988 UNGUKAKEZYJFFU-XLIONFOSSA-N 361.353 3.194 0 1 FGAF Cn1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N 587343801 VJQDMNFPDXOEAN-XLIONFOSSA-N 367.380 3.121 0 1 FGAF Cc1ncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)n1 587659847 GAZKENLFPKMLJB-UHFFFAOYSA-N 374.375 3.298 0 1 FGAF Cc1c(F)ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587204473 YVFLOYSGBRTPHN-HNNXBMFYSA-N 371.368 3.453 0 1 FGAF Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 150187909 QAJBOIGVHPCSNX-FQEVSTJZSA-N 372.896 3.482 0 1 FGAF CCc1c(C)[nH]c2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)nn2c1=O 19521695 PANNMFNFTWSOHO-OAHLLOKOSA-N 354.429 3.022 0 1 FGAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2 5158952 AMCPULFLJZMXJI-AWEZNQCLSA-N 356.374 3.377 0 1 FGAF biogenic,in-vitro C[C@H](CNc1cccc(CC(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 11422467 XLHISXVBDXEKEW-ACJLOTCBSA-N 362.857 3.091 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(CO)CC[C@@H]12 13780196 RPRXLTUVIHBKHI-UIFIKXQLSA-N 362.466 3.318 0 1 FGAF OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)cn3)n2)CCCCC1 204413588 NHMKLXJDOJTRGX-UHFFFAOYSA-N 366.387 3.342 0 1 FGAF COC(=O)CCC(=O)c1cnc2c(c1)[C@@]13C[C@H](C)C[C@@H](C2)[C@H]1CCCN3 2356467059 AYWQLULMTJAHKZ-YGVKSYSMSA-N 356.466 3.015 0 1 FGAF O=S(=O)(Cc1c(Cl)ccc(Cl)c1Cl)c1cccc[n+]1[O-] 3587028 FITRQQNWYVGGEZ-UHFFFAOYSA-N 352.626 3.254 0 1 FGAF NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 101363790 ZLTQSXAPKBXBCJ-PIIMJCKOSA-N 354.425 3.499 0 1 FGAF CC(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc1 101574387 SKIBXTJEPBLUCD-OALUTQOASA-N 365.433 3.331 0 3 FGAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2CCc2ccccc2)c1 61929271 RCHRYLCNPWOLFU-OAQYLSRUSA-N 354.450 3.349 0 3 FGAF C=CCN(C)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCC(=O)O)c(C)c2C1 25206656 FWTBZFHAHIOLGV-GDBMZVCRSA-N 359.466 3.152 0 1 FGAF biogenic CCOC(=O)CN1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 39227285 SMKHRQDBDGXZNU-UHFFFAOYSA-N 353.418 3.203 0 1 FGAF COc1ccc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)cn1 1911584924 VETNPOJGBWPKJO-TXEJJXNPSA-N 356.451 3.376 0 1 FGAF COCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1 71316068 VZQJNSKEKNJAOB-UHFFFAOYSA-N 358.423 3.127 0 1 FGAF CCOc1cc2cc3[n+](cc2cc1OC)CCc1cc2c(cc1-3)OCO2 40977377 CEHIAYBYDVULBE-UHFFFAOYSA-N 350.394 3.486 0 1 FGAF CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1 84635823 GTNGLDDJVMYWNV-UHFFFAOYSA-N 363.469 3.461 0 1 FGAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CC(F)(F)F 199231737 YTVMNEWLVRXDMT-OAHLLOKOSA-N 360.401 3.138 0 3 FGAF Nc1ncc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1 224791271 AHYWOTLXMOUJPQ-UHFFFAOYSA-N 366.396 3.485 0 1 FGAF O=C(NCCCN1CCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391329 FRGKAXADBIQAET-UHFFFAOYSA-N 366.387 3.311 0 3 FGAF COC(=O)[C@H]1C[C@@]23C(=O)[C@@]45CC[C@]2(C)[C@@H](CCC2=C3[C@H]1CC2)CN4C[C@@H]5C 238765139 NZPGPJDWYLNOED-GENOZQAMSA-N 369.505 3.356 0 1 FGAF CCCOC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1 238757840 BIABXOXBQYCKHQ-OAQYLSRUSA-N 352.386 3.447 0 1 FGAF Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C 587759304 ZYDZXXDWFAVALO-JDNHERCYSA-N 352.251 3.428 0 1 FGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(F)cnc(Cl)c2[nH]1 587193450 ANWJAXFMUUGECU-JTQLQIEISA-N 371.844 3.268 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COCOC2)N1 587834908 NKBWKSCDIYUHPZ-HWPZZCPQSA-N 358.251 3.348 0 1 FGAF Cc1nccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772299 FIYGKSUHLVTSNE-XXFAHNHDSA-N 350.235 3.484 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1ccc(=O)n3C)CC2=O 587489291 TXOAYPKCJIBKTK-OAQYLSRUSA-N 353.418 3.240 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCn2cncn2)N1 587762697 ZNJWDFKPXFSGFV-BONVTDFDSA-N 353.239 3.019 0 1 FGAF O=C(NCc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(C(F)(F)F)c1 587112259 ROWULGFRYZFTMO-UHFFFAOYSA-N 363.295 3.240 0 1 FGAF CCN(c1ccc(-c2csc(-c3cccnc3N)n2)cc1)S(C)(=O)=O 587923349 NDHYUYGWQDEMCY-UHFFFAOYSA-N 374.491 3.240 0 1 FGAF CCN1C(=O)C[C@]2(C=C1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582699 NLJSHSZQOPPLDX-NQIIRXRSSA-N 365.385 3.249 0 1 FGAF O=C(O)c1ccccc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530959 XDZVBEGSDHSPJJ-NRFANRHFSA-N 366.369 3.209 0 1 FGAF COc1cc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401150 VRLFELFPSABSGZ-HXUWFJFHSA-N 357.406 3.484 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cncc32)N1 587770297 ILGQWXNHIGNNJB-MGPLVRAMSA-N 350.235 3.356 0 1 FGAF COC(=O)c1cc(F)cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c1 963051444 DOBQDBJCEFEOAS-IBGZPJMESA-N 366.392 3.404 0 1 FGAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)NCCc2c(C)ccnc21 963070932 IALZGZNOXWURCQ-PXNSSMCTSA-N 358.869 3.436 0 1 FGAF CC(=O)N1CCC(Cn2cnc3scc(-c4ccccc4)c3c2=O)CC1 1772617941 YOZQKEKQIDXXJW-UHFFFAOYSA-N 367.474 3.384 0 1 FGAF O=c1c2nc(-c3ccccc3)[nH]c2nc(O)n1Cc1cccc(Cl)c1 13833546 VZVJWXAMSJRLAW-UHFFFAOYSA-N 352.781 3.194 0 1 FGAF CCC(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 167844136 XVEVTFRDAHRZJF-LEWJYISDSA-N 352.478 3.191 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3ncns3)CC2)CC1 1857595510 YOARLQVFXZCGDZ-MRXNPFEDSA-N 373.526 3.180 0 1 FGAF O=C(c1cn(CCN2CCOCC2)c2ccc(O)cc12)C1CCCCC1 1857770116 FVQYDNJMRKXPES-UHFFFAOYSA-N 356.466 3.442 0 1 FGAF COc1ccccc1CNC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1 772715 NAIRIWZEAOWACQ-IBGZPJMESA-N 358.825 3.406 0 1 FGAF COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccco2)cc1 1381068 BFJARIUJWKGQDG-QGZVFWFLSA-N 355.346 3.096 0 3 FGAF O=c1n(-c2ccccc2)c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n12 1650756 PJLOOQRJMBNBAR-UHFFFAOYSA-N 353.381 3.322 0 1 FGAF Cc1ccc(C(=O)N2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cc1 2356320757 IOXBITMCOMHRDZ-LPHOPBHVSA-N 367.424 3.261 0 1 FGAF C[C@H](CC1=N[C@H]2[C@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330051 JPHHGFNKNXDZSD-VYUIOLGVSA-N 358.751 3.205 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](C[C@H](O)[C@H]12)C3 103110031 AOAFJPDZCFYCLO-VYBRGMNPSA-N 350.499 3.152 0 1 FGAF COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)(C)C)[C@@H]4[C@@H](C2)N(C)CC[C@@]341 29464942 ISCBIDVJEHJCIE-LGWCBUJGSA-N 355.478 3.206 0 1 FGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 61905601 ZONOLOKSIQPHBN-GFCCVEGCSA-N 358.360 3.214 0 3 FGAF C[C@@]1(C(=O)N2Cc3ccccc3C2)CCN1C(=O)C1(c2ccccc2)CC1 61907178 RDEHBUWUNPOGNK-QFIPXVFZSA-N 360.457 3.252 0 3 FGAF COC(=O)C[C@@]12C[C@@H](O[C@H]1C=C(C)CCC=C(C)C)[C@@H](OC)CC2=O 2356512067 UQMNIDMLSKXSQI-WBQJQJEBSA-N 350.455 3.374 0 1 FGAF COC(=O)C=C1C[C@H]2[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4C(=O)C[C@@]34O[C@@H]1O[C@H]24 2356782455 FEYZLWQQBSLKES-QOXFFFIBSA-N 360.450 3.021 0 1 FGAF COc1ccc(OC)c(Sc2ncccc2C(=O)NCCSC)c1 39264028 CDIHEDJKMXUETJ-UHFFFAOYSA-N 364.492 3.343 0 1 FGAF c1ccc2c(-c3nc(CNCCCN4CCOCC4)co3)cccc2c1 72183735 FIDWVSZAAFAFJC-UHFFFAOYSA-N 351.450 3.307 0 1 FGAF NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 72176361 UNHPFFHUMWFKAQ-AUUYWEPGSA-N 372.428 3.125 0 1 FGAF CCCCC(/C=C/C(=O)N1CCN(C)CC1)=C\c1ccc2c(c1)OCO2 40405732 KPGJNHWYHIVOCL-RRYROPAKSA-N 356.466 3.319 0 1 FGAF COCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82214627 GMNWCIWRTGKODG-UHFFFAOYSA-N 354.454 3.264 0 1 FGAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4o3)C2)cc1 142334882 ALZIGQSFRPUHCB-ZDUSSCGKSA-N 351.406 3.293 0 1 FGAF CCO[C@](C)(c1ccc(O)c(OC)c1)[C@H](CO)c1ccc(O)c(OC)c1 95909818 UEIZIIBKVWSXIK-FOIQADDNSA-N 362.422 3.143 0 1 FGAF biogenic,in-vitro COc1ccc2ccc(=O)oc2c1C1=NN(C(C)=O)[C@H](c2ccccc2)C1 299863851 LRNDPDFMUXLZHU-KRWDZBQOSA-N 362.385 3.499 0 1 FGAF N[C@@H](N=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006632 MOJAPENXMUNEIY-AWEZNQCLSA-N 371.198 3.364 0 1 FGAF COCCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756142 QZHYHNULUNSCTK-ZUZCIYMTSA-N 368.250 3.055 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(C)cc32)N1 587761763 VTEMCMLQWBYTPT-DYZYQPBXSA-N 364.262 3.436 0 1 FGAF NC(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587093689 QFBLPPBRKMGKQZ-UHFFFAOYSA-N 352.341 3.378 0 1 FGAF COCCC[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795904 SKCAFXCCSSIMHI-ZBEGNZNMSA-N 360.267 3.391 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1OC 586905429 OFVVFJWKONMJSV-LBPRGKRZSA-N 356.378 3.296 0 1 FGAF C[C@]1(c2c[nH]c(=N)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330557 CAGLJYLASHOCKO-VQIMIIECSA-N 354.337 3.206 0 1 FGAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587155004 IDWVYUWXVOQPKP-LBPRGKRZSA-N 350.151 3.250 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C1=O)CC2=O 587477400 QYWXEVUFHSMTOB-QFIPXVFZSA-N 365.429 3.481 0 1 FGAF Oc1nc(NCc2ccccc2)c2nc(C(F)(F)c3ccccn3)nc-2[nH]1 587089398 CNLOZPSNEGPZFB-UHFFFAOYSA-N 368.347 3.157 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccnc(Br)c3[nH]1)C2 587247843 ZRDRVLVTNWUYSF-KRWDZBQOSA-N 373.254 3.072 0 1 FGAF COc1cc2c3c(c1)O[C@@](CC1OCCO1)(c1cccc(F)c1)[C@@H](C2)C3=O 587426961 FNJVZVYLLYDTQP-KKSFZXQISA-N 370.376 3.240 0 1 FGAF CC[C@@H]1OC=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587834762 SOQWNJIHYVOPGC-RVIYUIFMSA-N 354.219 3.209 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1Cn1cncn1)[C@@H](C2)C3=O 587433561 ZCMDHKAQXHNSHB-UVFQYZLESA-N 353.422 3.053 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(F)c(F)c(F)c(F)c3[nH]1)C2 587247667 WUJNKYJCGFEINU-SFHVURJKSA-N 365.330 3.471 0 1 FGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1cncc(C)c1 963194245 XTSGUPCYFPMVBL-HXUWFJFHSA-N 354.450 3.148 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1ccn(CC(F)(F)F)n1)N(C)[C@H](C)C2 962622822 CLKMGGZASKNBGS-PIGZYNQJSA-N 369.387 3.428 0 1 FGAF CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@H](C)C(=O)C[C@@H]12 1772593595 SXIDZSBZEIYEMV-VGJAGTOYSA-N 366.454 3.247 0 1 FGAF C[C@H](CF)N1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 13835329 QWPPCJAQJNIVOY-QGZVFWFLSA-N 371.452 3.288 0 1 FGAF COC(=O)c1cc(-c2cc3cc(Br)ccc3o2)n(C(=N)O)n1 1857581791 KJHZJNDZLRSJJJ-UHFFFAOYSA-N 364.155 3.186 0 1 FGAF COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C 1857614744 QETWZQZUXAGMTQ-UHFFFAOYSA-N 368.414 3.239 0 1 FGAF CN(C)c1ccc(CC(=O)N=c2ccn(Cc3ccc(Cl)cc3)[nH]2)cc1 1857761828 VKVABISVWJMPRR-UHFFFAOYSA-N 368.868 3.254 0 1 FGAF Nc1nc(N)c2sc3nc(C(F)(F)F)cc(C(F)(F)F)c3c2n1 1029462 XUSFWJBFOMTDRA-UHFFFAOYSA-N 353.251 3.442 0 3 FGAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C 1655272 SDADZOKIHXSRSR-SLPYIPCOSA-N 354.487 3.498 0 1 FGAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NC2CCCCC2)cc1OC 2356293222 DXYCLYSRSVTHCL-GFCCVEGCSA-N 374.437 3.475 0 1 FGAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cncc(OC)c3)cc2)C[C@H]2CC[C@H]1N2C 100061090 ORFLNTHIEFVEDL-GFOJFJKKSA-N 366.461 3.497 0 1 FGAF COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1 22939121 YHJWAFQSMFXGPG-UHFFFAOYSA-N 354.494 3.107 0 1 FGAF O=c1oc2ccc(Cl)cc2n1CCCN1CCN(c2ccccc2)CC1 103176065 CTYDRTOCLKBQGT-UHFFFAOYSA-N 371.868 3.460 0 1 FGAF COC(=O)C1=CCC[C@@](C)(O)C=C[C@@]2(C(C)C)CC[C@@](C)(O)[C@@H](CC1)O2 2356388704 OFJJTBHDOUZRJP-WLRLJWMZSA-N 366.498 3.292 0 1 FGAF COc1ccnc2c1[C@H](SCCN1CCOCC1)c1ccccc1O2 25969133 POOKJTLVZNHYJY-GOSISDBHSA-N 358.463 3.351 0 1 FGAF CC=C1C(=O)NC=C(C(=O)OC)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 2356426076 OVCQNYKEUACHQG-OAHLLOKOSA-N 361.401 3.008 0 1 FGAF C[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@H]21 2356627576 NFHFNBFYZIJLKZ-REABXYAWSA-N 368.385 3.393 0 1 FGAF CS(=O)(=O)c1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)n2)cc1 73139453 YZAHJPKQEQJEQU-UHFFFAOYSA-N 365.414 3.401 0 1 FGAF COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1 43200599 WGKSOSILOJKGAV-VIFPVBQESA-N 361.406 3.096 0 1 FGAF COCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1 45337590 AMEXJZCBHRWLSL-UHFFFAOYSA-N 363.417 3.122 0 1 FGAF CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1nccc(N)n1 224555466 ZUULHXHECBIOGA-UHFFFAOYSA-N 354.389 3.327 0 1 FGAF C[C@@]12CCC[C@]3(C)c4cc5c(O)ccc(O)c5cc4C(=O)[C@](O)(OC1)[C@H]23 40893475 OBXVUUWPKYYYBL-NCYKPQTJSA-N 354.402 3.230 0 1 FGAF in-vitro COC(=O)[C@H](c1ccccc1F)N1CCc2sc(OC(C)=O)cc2C1 84711591 HZJVVWCTWASWAO-KRWDZBQOSA-N 363.410 3.085 0 1 FGAF CC1(C)Cc2c(sc(NC(=O)NC(=O)c3ccccc3)c2C(=O)O)CO1 198421930 LAAGTILBQXJMHM-UHFFFAOYSA-N 374.418 3.260 0 1 FGAF COc1c(C)c(O)c2c(c1C=O)O[C@@H](C)C(C(=O)c1ccccc1)=C2O 29482743 PBSRSAJTXFBVLX-NSHDSACASA-N 354.358 3.455 0 1 FGAF biogenic CCOC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586925125 WANSGBYEQDKOSS-KHPPLWFESA-N 356.403 3.184 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn2ncccc12 587590364 ZOGKDWWDNXDTCQ-PXNSSMCTSA-N 359.341 3.138 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccccc12 587596227 PWDRONMYPGYQDT-UTKZUKDTSA-N 359.337 3.201 0 1 FGAF CCn1cc(Br)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587372579 PUPNIQMOYGBQPB-INIZCTEOSA-N 364.243 3.437 0 1 FGAF COC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 587021239 GXDRBKGUFNEAIN-UHFFFAOYSA-N 350.403 3.459 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ncccn2)N1 587773136 IEIZBWZSVSLSTA-MGPLVRAMSA-N 350.235 3.370 0 1 FGAF COC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587835541 PKIMPDAZYABGNG-MEBBXXQBSA-N 358.251 3.359 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3ccc(=O)oc3c1)O2 587409593 RTQFAQIGAGYLEF-NRFANRHFSA-N 365.385 3.487 0 1 FGAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587418757 ASBABJPXKVEQML-VVGQOJSESA-N 362.397 3.273 0 1 FGAF O=C(CCc1nc2ccc(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024107 OCIAPGFCFMLENL-UHFFFAOYSA-N 368.397 3.187 0 1 FGAF N=c1[nH]c2nc(-c3cc(OCc4ccccc4)ccc3O)nc-2c(Cl)[nH]1 587783130 XPHNHFORRRDBMK-UHFFFAOYSA-N 367.796 3.322 0 1 FGAF Cc1ccn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587579279 CZUVMUCZDVGZAN-XLIONFOSSA-N 350.374 3.318 0 1 FGAF NC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614797 UNMBALCAZUPYPL-MAUKXSAKSA-N 367.382 3.256 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 586917001 QQBYRHAGOSFQJO-VBKZILBWSA-N 350.374 3.478 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ncccn4)n1)[C@@H](C2)C3=O 587452684 SRUCZPCUAHEQBE-ZBEGNZNMSA-N 351.387 3.097 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]21C(C(=O)O)=CN(C)c2c(F)cccc21 963008786 KDKAYPBLMDOOQO-IBGZPJMESA-N 358.438 3.312 0 1 FGAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962906254 XLHMLYUVFXEZJB-TXDFXGTJSA-N 368.452 3.163 0 1 FGAF Cc1ccc2nc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)cn2c1 12306822 HJOPVADVUFJFDH-KRWDZBQOSA-N 352.413 3.499 0 3 FGAF Nc1ccc(C(=O)NCCN2CCC(c3cccc4[nH]ccc34)CC2)cc1 13609436 NONLEPSJHYRPDC-UHFFFAOYSA-N 362.477 3.360 0 1 FGAF COC(=O)c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12 13677198 FCTXRIZAYGPWFH-UHFFFAOYSA-N 365.385 3.083 0 1 FGAF c1ccc2c(c1)CC[C@H]2CN1CCN(c2cccc3c2OCCO3)CC1 13743664 DGDISGPTQDNJPR-SFHVURJKSA-N 350.462 3.310 0 1 FGAF CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)cc2)CC(=O)N1 14954352 XLCGNRUTBJTNGH-INIZCTEOSA-N 364.380 3.218 0 1 FGAF COC(=O)C1=CCC[C@H]2[C@@]34C[C@H](c5ccoc5)O[C@H]3O[C@H](O)[C@@]12CC[C@@H]4C 169336334 FTIIWSAYPGBNDS-KEIHQZBGSA-N 374.433 3.328 0 1 FGAF CC(=O)NCCc1c[nH]c2cc(Br)c(Br)cc12 203704127 BJLUVDRZCYBWOE-UHFFFAOYSA-N 360.049 3.372 0 1 FGAF Cc1cccc(N2CCN(c3ccc(NC(=O)CCC(=O)O)cc3)CC2)c1 627262 MMNMWGPJIUUPJW-UHFFFAOYSA-N 367.449 3.125 0 1 FGAF CCN(CC)CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1 1622973 CJPWNBNMOISVOL-JOCHJYFZSA-N 362.477 3.379 0 1 FGAF O=S1(=O)N=C(Nc2ccccc2Cl)Nc2c(O)cc(Cl)cc21 6718557 YNIFITPRIRUSIA-UHFFFAOYSA-N 358.206 3.281 0 1 FGAF Cc1cc2c3c(cccc3n1)C(=O)c1c(C(=O)NCCN(C)C)cccc1-2 26148232 ZFLPDTGWTJWGPJ-UHFFFAOYSA-N 359.429 3.046 0 1 FGAF Cc1cccnc1CNC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 2356301794 FOBXGJQAGPBWMB-QGZVFWFLSA-N 352.413 3.081 0 1 FGAF CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)C(F)(F)F)c1 29069596 UMWZEUPYBZJRSL-UHFFFAOYSA-N 363.382 3.314 0 1 FGAF N[C@@H](C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1 28372547 BOGRGBJASHXDLV-DOTOQJQBSA-N 371.506 3.378 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356680269 BHMBVRSPMRCCGG-XLAORIBOSA-N 352.471 3.251 0 1 FGAF COc1c(OC/C=C(/C)C[C@@H]2C=C(C)C(=O)O2)ccc2ccc(=O)oc12 34537990 QUKDLMFYXITHBM-LDCOFTPGSA-N 356.374 3.389 0 1 FGAF CCCCN(CC1=C(N2CCCC2)COC1=O)C(=O)OCc1ccccc1 36388869 VTFUKHMXWMUWKK-UHFFFAOYSA-N 372.465 3.332 0 3 FGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 210754423 XLPFPKSSKCSGFJ-SECBINFHSA-N 372.360 3.158 0 1 FGAF Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(c1=O)CCC2 72127591 QVUQXLNBQGFHKF-UHFFFAOYSA-N 367.493 3.191 0 1 FGAF CCC1=CCCN(CCc2c([C@H](CO)C(=O)OC)[nH]c3ccccc23)C1 14693901 DCFMZYCTRNALOF-SFHVURJKSA-N 356.466 3.001 0 1 FGAF biogenic CCCN[P@@](=O)(OCCOC)[C@@H](C)NC(=O)OCc1ccccc1 40879884 BHXWCTKGYOCFLI-BSEYFRJRSA-N 358.375 3.115 0 1 FGAF C[C@@H]1C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H]1O2 83923608 PQDLJCPCZJBEBP-XFXUMDQZSA-N 368.470 3.011 0 1 FGAF in-vitro COc1cc2c(cc1[C@@H]1C(=O)Oc3cc4occc4cc3C1=O)OCO2 95486068 XPXKZRNRBZMAGU-KRWDZBQOSA-N 352.298 3.056 0 1 FGAF biogenic,in-vitro CCCN1CCN(c2ncc(CCN(C)CCc3ccccc3)s2)CC1 98084607 XXOAQFQJOHJDFV-UHFFFAOYSA-N 372.582 3.392 0 1 FGAF CC1(C)CCc2c(O)ccc([C@@H]3COc4cc(O)cc(O)c4C3=O)c2O1 96086117 QYZNGBWQHYNRBM-ZDUSSCGKSA-N 356.374 3.266 0 1 FGAF biogenic,in-vitro COc1cc(OC)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 586979416 ZGVHFTVBDZBYAJ-UHFFFAOYSA-N 365.231 3.204 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccco3)c2c1 587649644 RREMKVHHBFZULP-UHFFFAOYSA-N 357.309 3.414 0 1 FGAF O=C1C[C@H](CCCNC(=O)C2CCOCC2)Oc2c1ccc1c2CCCC1 587509622 DKMXCJLYWXTINC-KRWDZBQOSA-N 371.477 3.222 0 1 FGAF COC(=O)[C@@H]1C[C@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587807553 LURKNQPIGPJQFY-BFCNOCSMSA-N 368.246 3.457 0 1 FGAF COC(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2n1 587026153 AYGGHIKEMFLRGI-UHFFFAOYSA-N 354.391 3.360 0 1 FGAF N=C(N)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079898 LTBGGULXCYWTFD-CYBMUJFWSA-N 352.829 3.224 0 1 FGAF COC(=O)C1(C)CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587804207 CXIHMENFKIXNMY-ZOSDVKSASA-N 356.235 3.291 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2cc(Cl)cc(F)c2[nH]1 587566281 DULSLBAIWLAQPP-UHFFFAOYSA-N 372.824 3.274 0 1 FGAF O=C(O)CCC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990500 KUXGNJOJGMJPEA-UHFFFAOYSA-N 361.353 3.128 0 1 FGAF CS(=O)(=O)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(F)(F)F)c2c1 587648905 JBCFPIRXKUHVJL-UHFFFAOYSA-N 368.336 3.378 0 1 FGAF COC(=O)C[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425983 JJCQZMZRLWVPTP-JLTOFOAXSA-N 356.349 3.040 0 1 FGAF Cc1nn(C2CCCC2)cc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962922789 HQPWLHJWXPSGSQ-HXUWFJFHSA-N 352.482 3.244 0 1 FGAF O=c1cc(-c2ccccc2)nc2nc(SCc3nc4ccccc4[nH]3)[nH]n12 1857631719 KDTKXHZGLKGSRG-UHFFFAOYSA-N 374.429 3.253 0 1 FGAF Cc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCC=CCO2 253734108 JWEGQSFNTUHRNR-UHFFFAOYSA-N 351.366 3.018 0 1 FGAF C[C@H]1CCC2=NN(C(=O)c3ccc(N(C)C)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 793144 DPWDQFFZSQUQCA-KHIZAZIESA-N 369.387 3.252 0 1 FGAF Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 103281451 NBPIDOCISCRAKV-UHFFFAOYSA-N 361.854 3.313 0 1 FGAF COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCCCc1ccccc1)C2 27718321 LDMLOXJMOZDYPP-PMACEKPBSA-N 355.478 3.144 0 1 FGAF Cc1cc([C@H](O)[C@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)ccc1O 28952026 CYEOKZJIXIYTOM-MGPUTAFESA-N 359.441 3.245 0 1 FGAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2cccs2)CC1 117392229 UVDRIPUOESLUDZ-ZDUSSCGKSA-N 369.490 3.028 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@]1(C)C(=O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 2356610428 JIQFBMQXZGTZHF-NUVQDNJRSA-N 360.450 3.381 0 1 FGAF COCc1ccc(O)cc1CCN1CCCC[C@@H]1[C@@H](O)c1cccc(O)c1 2356682153 NOJUKKVBEUQCAP-YADHBBJMSA-N 371.477 3.375 0 1 FGAF COc1c(O)cc(OCC=C(C)CCC=C(C)C)c(C(=O)CO)c1O 2356687618 UXUQTRQPUOUNQT-UHFFFAOYSA-N 350.411 3.353 0 1 FGAF COC(=O)[C@H]1O[C@@H](OC)c2c1c(C)c1oc3c(C)cccc3c(=O)c1c2O 13378675 RSHLQJHJEKDNRR-AZUAARDMSA-N 370.357 3.158 0 1 FGAF biogenic CNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)ncc12 210831489 RIBJTISRZQKZRV-WBVHZDCISA-N 366.425 3.041 0 1 FGAF O=C1c2ccccc2C(=O)N1CCC[C@@H]1CC(c2ccc(O)c(F)c2)=NO1 43013864 UBSHAIHAGGXDAC-CYBMUJFWSA-N 368.364 3.101 0 1 FGAF COc1ccc2c(c1)C[C@@H](C)N2C(=O)c1cc(OC)c(OC)c(OC)c1 40395106 SSJRNAMTNQXJMP-GFCCVEGCSA-N 357.406 3.312 0 1 FGAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211030 GCRNMWZMQNVJHP-OAHLLOKOSA-N 368.481 3.189 0 1 FGAF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82133712 QCFHXGGLEYVMIH-UHFFFAOYSA-N 366.421 3.033 0 1 FGAF CCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1 42921309 BPPJICARWSVVER-UHFFFAOYSA-N 359.373 3.388 0 1 FGAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cc21 144247088 AVHUWZAFSOFROT-MRXNPFEDSA-N 369.396 3.380 0 1 FGAF Fc1ccc(Nc2cc(NC3CCNCC3)nc3ccnn23)cc1Cl 95554664 KVMQLIWHVZKJPV-UHFFFAOYSA-N 360.824 3.429 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253638923 BNTIEMZWVNNNAF-MANSERQUSA-N 356.466 3.309 0 1 FGAF COC(=O)[C@@]12C[C@@H](C)[C@@H]3[C@H]1c1ccccc1[C@H]([C@@H]3C)N2C(=O)C(F)(F)F 299813610 CTAGORHSTSPKPD-PNNOMYTASA-N 367.367 3.433 0 1 FGAF OCc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161162 KVBQHVOWQQIYBL-UHFFFAOYSA-N 357.776 3.155 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587445492 ZMKNAPBKZGMPJV-JLDZCNIISA-N 364.397 3.389 0 1 FGAF O=S(=O)(/C=C\c1nc2cc(Br)ncc2[nH]1)c1ccccc1 586925122 VXOMKFMGURXGDW-SREVYHEPSA-N 364.224 3.165 0 1 FGAF COc1ccc(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2C)c(OC)c1 587929316 MUPXYIDCMRQEIC-UHFFFAOYSA-N 361.405 3.377 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2O)N1 587769552 GRGNZPODZGUUBV-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1 587124029 KPYSTPUYFDZLHU-FUXBKTLASA-N 365.315 3.463 0 1 FGAF CCOC(=O)c1nocc1[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587394873 KWOPDKKTECNZQK-LJQANCHMSA-N 356.378 3.013 0 1 FGAF COC(=O)c1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1OC 587934122 BEMZYRBLNNGJDN-DIFFPNOSSA-N 370.405 3.204 0 1 FGAF CC(=O)N[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340923 WDGTZFUNIXERDT-TZFGQJNGSA-N 357.381 3.174 0 1 FGAF COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587441058 IZRSUXYEFWTGBE-VFNWGFHPSA-N 370.401 3.218 0 1 FGAF FC(F)(F)c1c(Br)ccc2nc(C[C@H]3COCCO3)[nH]c12 586908469 BIMQFORUDQAHSU-ZETCQYMHSA-N 365.149 3.302 0 1 FGAF CC(=O)c1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651906 GWLIIMGNUMZTPS-GFCCVEGCSA-N 370.792 3.360 0 1 FGAF O=S(=O)(/C=C/c1nc2c(Br)ccnc2[nH]1)c1ccccc1 586926354 OHBQDSMYDCLECF-VQHVLOKHSA-N 364.224 3.165 0 1 FGAF O=C(O)c1cccc2c1CCN[C@@]2(C(F)(F)F)C(F)(F)Br 963123012 NLIXRODRZUPJAM-SNVBAGLBSA-N 374.103 3.276 0 1 FGAF C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)[C@@H]1C[C@H]1c1ccccc1 12472315 ZMVROYMOUCLNOO-DLOVCJGASA-N 372.701 3.400 0 3 FGAF CC(=O)Nc1cccc2c(S(=O)(=O)Nc3noc(C)c3C)cccc12 13602357 MYPMATSTUPRQRI-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@@H]1CN1Cc1cnc2ccccc2c1 169328776 RSCCYLZMGZEXKU-GQBYZMJGSA-N 362.355 3.250 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2cn3ccc(F)cc3n2)cc(-n2nc(C)nc2C)n1 209356142 FXYQRGVWWVIBDO-HUUCEWRRSA-N 363.400 3.040 0 1 FGAF COc1ccc(C(C)C)cc1-c1cc(N2CCC[C@@H]2CO)n2nccc2n1 1857590139 XIVIHGPXGYAJEX-MRXNPFEDSA-N 366.465 3.489 0 1 FGAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC(F)F)cc1 103539254 UNLMXJCHPZIQKA-BSHRGCEOSA-N 350.325 3.381 0 1 FGAF C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)n1sc2ccccc2c1=O 20467309 LTACFCAXYBXTDM-OAHLLOKOSA-N 373.522 3.101 0 1 FGAF CCC=CCC=CC[C@H](O)[C@@H](O)C=C[C@@H](O)CC=CCCCC(=O)O 2356792859 GWRXSUUNZUWJCL-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF COC(=O)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 64559115 ZTJQLBPGRNAEAK-HNNXBMFYSA-N 370.490 3.062 0 1 FGAF O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)s1)c1ccc(Cl)nc1 72124530 PYGRVEHCWINBCC-UHFFFAOYSA-N 374.809 3.277 0 1 FGAF c1cc(-c2nc(N[C@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1 223659177 XPPBRBBOBIZKRK-ZDUSSCGKSA-N 351.479 3.406 0 1 FGAF Cn1cncc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224569659 ZDMFANPYWBROGL-UHFFFAOYSA-N 353.401 3.445 0 1 FGAF Cc1ccc(S(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1 198921303 MBSTVUCDTFVVEN-UHFFFAOYSA-N 373.459 3.240 0 1 FGAF CCCCNC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084860 SJSUTPHKZQDLPN-UHFFFAOYSA-N 351.859 3.110 0 1 FGAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccccc3)c(=O)n21 82211536 WUSYIXNWJYRADT-HNNXBMFYSA-N 368.481 3.037 0 1 FGAF COCCn1c(CC(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179639 ZEDKNZNHNHTDEM-UHFFFAOYSA-N 371.460 3.465 0 1 FGAF CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21 144516578 OTNJLOBFUMVRLU-NSHDSACASA-N 364.858 3.144 0 1 FGAF COc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95582997 UITHLLLCFOBWSC-UHFFFAOYSA-N 360.373 3.248 0 1 FGAF CO/C=C(/C(=O)OC)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C 263638606 WAVDUDGTTMFJQX-XXXOLIPZSA-N 354.450 3.426 0 1 FGAF O[C@@H](CNCc1nc2ccccc2[nH]1)COc1ccc(Cl)cc1Cl 299826371 ZLBXWTIMCNNUKF-LBPRGKRZSA-N 366.248 3.399 0 1 FGAF CC(C)(C)OC(=O)N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)C(C)(C)C 587205717 TUKRJWDCPDZTLW-SECBINFHSA-N 353.854 3.440 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cnn(C)c1)CC2=O 587476521 PKOCMWYEBYRKGA-QGZVFWFLSA-N 352.394 3.175 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587784073 DXSSOHPZLAVKFR-UONOGXRCSA-N 350.374 3.278 0 1 FGAF CC(C)OC(=O)C1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC(F)(F)C1 587131577 ORXVILRUMFMMRG-UHFFFAOYSA-N 356.300 3.019 0 1 FGAF COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3cccc4c3c(c21)CC4 587211547 GTQITMSCAPQKEO-CQSZACIVSA-N 368.433 3.341 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CN3CCOCC3)o1)CC2=O 587474140 FACYTZACNVWXCM-FQEVSTJZSA-N 371.433 3.476 0 1 FGAF CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586942221 ICOLJHRMHZRTNK-UHFFFAOYSA-N 369.796 3.107 0 1 FGAF Ic1nccnc1-c1nc2cnc3ccccc3c2[nH]1 587186660 NRVTZNUSXUAPCT-UHFFFAOYSA-N 373.157 3.173 0 1 FGAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cncnc1 587656776 NVWZEUWQRLFBKG-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2csc3cnc(Cl)nc23)N1 962923328 QLPVFVCCXCPJHB-IINYFYTJSA-N 363.801 3.172 0 1 FGAF CCN(C)C[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183391 IYBDCXVHIOFNHM-IAQYHMDHSA-N 364.795 3.125 0 1 FGAF COc1ccc2occ([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963512653 XWRFXPBQIXFWCO-HRAATJIYSA-N 367.401 3.318 0 1 FGAF OCC1(C[C@@H]2CCCCO2)CCN(Cc2cccn2-c2cccnc2)CC1 12434960 BFAFHMHDPFHILB-NRFANRHFSA-N 369.509 3.406 0 1 FGAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](OC=O)C(C)(C)O 14587265 DDOGXGOJGIHGOH-PMXLPMHFSA-N 360.406 3.211 0 1 FGAF endogenous,in-man O=C(c1ncccc1Cl)N1CCn2nc(COc3ccccc3)cc2C1 168069306 SOSSXRFTYYNKND-UHFFFAOYSA-N 368.824 3.167 0 1 FGAF CCCC(=O)OCSc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 1857568254 JXWVKHXORHRQLK-UHFFFAOYSA-N 372.446 3.431 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2nnc3ccc(-c4ccoc4)cn23)c1 1857588998 UFDNTQVLYURPDK-UHFFFAOYSA-N 354.391 3.028 0 1 FGAF Cc1nc2sc([C@@H](c3cccs3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 4121057 UNVUVWBTODINCS-GBIKHYSHSA-N 364.496 3.065 0 1 FGAF CCOc1c2ccc(C(=O)NCc3ccc(C)cc3)cc2nn1CCOC 8762991 VPRLBWUBVJCZEZ-UHFFFAOYSA-N 367.449 3.320 0 3 FGAF Cc1cccc(CN2CCC(C/N=c3/c(-c4ccccc4)c(O)c3=O)CC2)c1 103535439 MHJILJXTMOOOSC-LVWGJNHUSA-N 374.484 3.416 0 1 FGAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc2c(c1)Oc1ccccc1O2 29130819 LMYNZIZWNNDFMW-ZDUSSCGKSA-N 350.334 3.202 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@@]342 2356855358 RCMYYZNUDQDHOY-XGHDSRBHSA-N 355.482 3.000 0 1 FGAF CC(=O)Nc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 72142824 NHXNHCQTGVIMIV-UHFFFAOYSA-N 359.432 3.493 0 1 FGAF COc1ccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc1OC 14646073 QXGISKPRHNUTQA-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF biogenic O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(F)cccc21 40980273 MIVGIAKDYUMQNB-UHFFFAOYSA-N 352.134 3.457 0 1 FGAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccc(F)c4)cc32)N=C1N 95603890 JFRILJOYQQJENP-HXUWFJFHSA-N 353.397 3.036 0 1 FGAF Cc1oncc1C(=O)N1C[C@H]2[C@@H](N(C)Cc3cccs3)CCC[C@H]2C1 299842756 XFPCJLZNVOLBGH-QGTPRVQTSA-N 359.495 3.417 0 1 FGAF CCc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1ccccn1 653679921 WIVHCLWNIWXVBX-UHFFFAOYSA-N 360.373 3.043 0 1 FGAF CC(=O)Oc1ccccc1[C@H]1CC(C)=NN1C(=O)CN(C(C)C)C(C)C 653729283 YVSSXSZTMBPXRL-GOSISDBHSA-N 359.470 3.380 0 1 FGAF O=C1C[C@@H](CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587518013 YTJKMYCIYVRSKR-AWEZNQCLSA-N 361.397 3.195 0 1 FGAF CCc1cc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1Cl 587052683 HZGXDLFORGXKHX-UHFFFAOYSA-N 365.842 3.005 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1[C@@H](O)C(=O)O)CC2=O 587475850 AVROIPLONGXNDR-NQIIRXRSSA-N 370.401 3.343 0 1 FGAF CC(=O)C(C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810122 BWHCYKYPMMDTDQ-PWJLMRLQSA-N 356.235 3.132 0 1 FGAF COC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587804277 DJDDOAWAKVMXIP-KJRLAJNESA-N 356.235 3.291 0 1 FGAF COc1ccc(CNC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587385457 CROZMRPDOWCECG-NRFANRHFSA-N 368.433 3.016 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2O)N1 587771578 MMPZGPAJQNASST-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)=O)c2ccccc21 587490845 ZTUZCEIYHLWSBL-NRFANRHFSA-N 365.385 3.099 0 1 FGAF CCS(=O)(=O)c1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 587938554 XDYJMAUVNYGWHS-XIKOKIGWSA-N 374.462 3.202 0 1 FGAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)c(F)cc2[nH]1 586951744 XMWWAKSFRUDWTJ-UHFFFAOYSA-N 360.823 3.159 0 1 FGAF COC(=O)c1ccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c2c1 587437780 JXAPEKOFIPBNMZ-VLIAUNLRSA-N 363.369 3.452 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587232484 XTPZXMVUOMVUCK-VXGBXAGGSA-N 353.825 3.392 0 1 FGAF CC(C)c1nn(C)c2c1[C@H](c1cn(Cc3ccc(Cl)cc3)nn1)NCC2 962918329 IFFLLILQARYRPW-IBGZPJMESA-N 370.888 3.072 0 1 FGAF COC(OC)c1cccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1F 963035378 RKOBOVDGOROUBK-FKIZINRSSA-N 370.424 3.260 0 1 FGAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(C4OCCCO4)cc3)c3cccc1c32 963035578 RYKQEKHBIKYBPY-HRAATJIYSA-N 364.445 3.265 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cnc(-c3ccncc3)s1)NCC2 962923602 IJOXXKVNNPPCHG-SFHVURJKSA-N 364.474 3.142 0 1 FGAF CC(C)Oc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5963112 JSKAIOMOXXDDHA-UHFFFAOYSA-N 364.449 3.313 0 1 FGAF CC(C)Cc1cc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)no1 11874333 KCGASSZREJGHLR-NRFANRHFSA-N 374.456 3.470 0 3 FGAF COc1ccc2c(c1)CN(C=O)N=C2Cc1c(Cl)cncc1Cl 13435998 DDKUJFXMLKEDRM-UHFFFAOYSA-N 350.205 3.316 0 1 FGAF CN1CCO[C@](OCCCO[N+](=O)[O-])(c2ccc(-c3ccccc3)cc2)C1 13973732 URDWJZSCKHZFFC-FQEVSTJZSA-N 372.421 3.083 0 1 FGAF CC1(C)Cc2n[nH]c(=O)c3cccc4c3c2c(n4CCN2CCCC2)C1 150190271 KGFVHDYZYNUJJN-UHFFFAOYSA-N 350.466 3.098 0 1 FGAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1CCOc2ncccc21 205613787 GACLCUGVJCORSZ-XHDPSFHLSA-N 367.232 3.104 0 1 FGAF NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2)ncn1 1857583946 MYYGFIUVZUMKSN-UHFFFAOYSA-N 373.416 3.139 0 1 FGAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCOCC2)N1C1CCCCC1 27082286 OSARWLHRWKQLCT-IBGZPJMESA-N 371.481 3.259 0 1 FGAF Nc1nc(-c2ccc(F)c(F)c2)nc2sc(CN3CCOCC3)cc12 118600050 HXJVUUOOTHCIDN-UHFFFAOYSA-N 362.405 3.051 0 1 FGAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCO 38424210 HFSVLFVYELZPSL-UHFFFAOYSA-N 372.380 3.043 0 1 FGAF COC(=O)c1ccccc1OCC(=O)N1CC=C(c2ccccc2)CC1 7096708 HCCKSELTHWXUGX-UHFFFAOYSA-N 351.402 3.168 0 1 FGAF biogenic COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36384230 OAEFZVONNKVIOA-FUHWJXTLSA-N 370.449 3.171 0 3 FGAF Cc1oc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1 40933533 QUXDLFFUGPRTOT-UHFFFAOYSA-N 350.374 3.377 0 1 FGAF CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1[C@@H]1CCN(C2COC2)C1 146427154 GEXWJSDYWQNHLQ-CYBMUJFWSA-N 369.444 3.335 0 1 FGAF CC[C@@H]1CN(C)C[C@H]2[C@H](C(=O)OC)c3c([nH]c4ccccc34)C(=O)C[C@@H]12 238769078 CGNGBKBFEZALRJ-JUIVLLAYSA-N 354.450 3.215 0 1 FGAF CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@](C(=O)OC)(C2)[C@@H]13 105483457 FPUHKQMDWMVBRI-NUGMEJGNSA-N 368.477 3.264 0 1 FGAF biogenic CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1C(=O)COc1ccccc1 299858011 PNSTZORQSPBHNA-HXUWFJFHSA-N 366.461 3.105 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2cc1OC 587046134 KVWLHSLZNCKPGJ-UHFFFAOYSA-N 362.769 3.393 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1CCC3 587366239 LPIZZTUFXHIXJC-UHFFFAOYSA-N 358.195 3.354 0 1 FGAF CCOC(=O)Cc1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 587925597 FHYIMDJXOZTSPS-UHFFFAOYSA-N 354.406 3.277 0 1 FGAF CCN1C(=O)C[C@@H](c2nc3ccnc(O)c3[nH]2)[C@@H]1c1ccccc1Cl 587062112 SRESWNTUUFDCGA-BZNIZROVSA-N 356.813 3.394 0 1 FGAF CC(C)(C1CCC(=O)CC1)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561710 JYKKOHCSTHBEQW-ZDUSSCGKSA-N 355.438 3.326 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)s1)[C@@H](C2)C3=O 587453687 YLTVXLNWTHXPOU-ORAYPTAESA-N 357.431 3.082 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)cc(Cl)c41)[C@@H](C2)C3=O 587426796 FTXOJOOXALMADG-YPMLDQLKSA-N 359.740 3.083 0 1 FGAF CCCn1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699547 PDSLXKIPYXUPAB-GJZGRUSLSA-N 371.334 3.139 0 1 FGAF COc1c(Cl)ncc(Cl)c1[C@H]1NCCc2c1c(C(C)C)nn2C 962915909 IEOSTONCHGKCJT-CQSZACIVSA-N 355.269 3.489 0 1 FGAF Cc1cccnc1-n1cccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963019083 DPNQSQDCQGGVSA-QVKFZJNVSA-N 358.445 3.323 0 1 FGAF CC(=O)Nc1cc(C)c2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2c1 1772639538 ZPCNBJRQFBEYEB-UHFFFAOYSA-N 355.438 3.077 0 1 FGAF COCCNC(=O)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829100 LBXBAZUHXKXJHD-CFINBHSISA-N 371.399 3.420 0 1 FGAF c1ccc(Cc2ccc(OCCN3CCC(c4nnn[nH]4)CC3)cc2)cc1 13860537 FLQWALQQHUBJRM-UHFFFAOYSA-N 363.465 3.049 0 1 FGAF COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 15064132 SBRFTVNOFSJXGO-GOSISDBHSA-N 358.482 3.130 0 3 FGAF CC(=O)N1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O 169314997 WKDVGCMMVPLSEQ-UHFFFAOYSA-N 363.200 3.335 0 1 FGAF O=C1NCC2=Nc3ccccc3N[C@@H](c3ccc(Br)cc3)[C@H]12 169691158 PMYQZECIWLZFGN-CVEARBPZSA-N 356.223 3.434 0 1 FGAF Cc1cc(O)ccc1[C@@H](O)[C@@H](C)N1CCC(O)(c2ccc(F)cc2)CC1 28952039 VCXGYXJYTWDMJS-QRWLVFNGSA-N 359.441 3.245 0 1 FGAF CCCCCCOc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)cc1 28863971 UFBRQERFYMHTLN-BSDSXHPESA-N 361.438 3.462 0 1 FGAF COc1ccc(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2356464808 UCNJLHOIWUZLRK-QFIPXVFZSA-N 364.445 3.341 0 1 FGAF CC(C)CC[C@@H](C)N1CCC(N2c3ccccc3NS2(=O)=O)CC1 28359994 GIENZHUKUHPSKJ-OAHLLOKOSA-N 351.516 3.452 0 1 FGAF C[C@@H](Cc1cc2c(cc1O)OCO2)[C@H](C)[C@H](O)c1ccc2c(c1)OCO2 211992048 MUMFFBHTQFUOMR-PVUDRZGPSA-N 358.390 3.398 0 1 FGAF C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2O)CO3)O1 14825562 MWILFHFRKVPOMC-DZGCQCFKSA-N 354.358 3.042 0 1 FGAF biogenic C[C@@H]1C(=O)c2ccc3c(c2[C@H](c2cc4c(cc2O)OCO4)[C@H]1C)OCO3 32296395 IWVMYNUBGFIYHI-YMNVWFMLSA-N 354.358 3.450 0 1 FGAF biogenic CN(C)CCNc1nccn2c(-c3ccncc3)c(-c3ccccc3)nc12 473165287 AZLSCJXNCFRRGP-UHFFFAOYSA-N 358.449 3.432 0 1 FGAF O=C1c2ccc(O)cc2O[C@@]2(CCN3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587347709 POPYZYJHGLSEIZ-UQIDSAAFSA-N 353.393 3.355 0 1 FGAF O=C(O)c1cc(F)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040632 INKIIKBWRXAKGB-LSDHHAIUSA-N 357.410 3.347 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587163680 UISLFDMJKALVEI-GJZGRUSLSA-N 359.426 3.223 0 1 FGAF COC(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596082 ULAAMUWLIFGJQW-PXNSSMCTSA-N 354.358 3.066 0 1 FGAF CCOC(=O)C(=O)C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523081 NHEBNSKXNOWYIR-NRFANRHFSA-N 358.434 3.448 0 1 FGAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(N)=O)cc2[nH]1)C1CCCC1 587227525 ZCOYBYOLKUVNFE-HNNXBMFYSA-N 358.442 3.418 0 1 FGAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587151911 VOSJVUPJACMWIT-MRVPVSSYSA-N 354.334 3.228 0 1 FGAF COC(=O)c1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586983372 BMLZJDYZTDQCPC-CYBMUJFWSA-N 374.238 3.355 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)ccc(F)c41)[C@@H](C2)C3=O 587429799 WWPXGGINNCMKOV-YYSFKGJASA-N 359.740 3.083 0 1 FGAF CCOC(=O)[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399858 MYPQBDFJNPGWMN-FQEVSTJZSA-N 355.390 3.010 0 1 FGAF O=C1COc2cc3[nH]c(CCCC(=O)c4ccc(Cl)cn4)nc3cc2N1 587080970 INTVTEJSORTDMM-UHFFFAOYSA-N 370.796 3.148 0 1 FGAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1OC 587354075 SXMUOPNGPLBMFO-ZFMNYDKASA-N 372.392 3.453 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586961379 HZOOIDASEAYDNZ-ZCFIWIBFSA-N 371.344 3.393 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(S(C)(=O)=O)c1 587871742 BZVDBRHOLRPNMG-UHFFFAOYSA-N 360.410 3.481 0 1 FGAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587969989 CVDHOOCSUONWBC-QDMKHBRRSA-N 354.387 3.213 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(O)c2)N1 587772609 OOKVGSGZZOTMAE-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF COC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCc1ccco1 5135083 XTWADLIYWGSRLY-UHFFFAOYSA-N 352.346 3.084 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccn2)cc1 13812810 KCPPTAVUOWTXDZ-UHFFFAOYSA-N 367.352 3.357 0 1 FGAF Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(C(F)(F)F)c1 13826183 DPCVHBNVZHAFBU-UHFFFAOYSA-N 352.341 3.379 0 1 FGAF NCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 205129067 HQWOFYORDACBAM-OAQYLSRUSA-N 373.928 3.022 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2ccccc2)nc2ccc(C)cn12 1857595249 WFTAKQQEISPERS-UHFFFAOYSA-N 350.422 3.425 0 1 FGAF Cc1c(-c2ccc(C(N)=O)cc2)cncc1-c1ccc(N2CCNCC2)cc1 1857613225 IGTBPCFNGGLIBQ-UHFFFAOYSA-N 372.472 3.233 0 1 FGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 205633237 VKZMVCWHTOUYQT-UHFFFAOYSA-N 363.392 3.262 0 1 FGAF C[C@H](Oc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 2567719 RXYFHFITBGIPAS-CLJRNHLWSA-N 368.271 3.385 0 1 FGAF CC(=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 2356411115 IBBYPUFMXQIMFO-VFNWGFHPSA-N 368.385 3.212 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101051171 BNTIEMZWVNNNAF-FCGDIQPGSA-N 356.466 3.309 0 1 FGAF COc1ccc(CCN2CN=C(SCc3ccccc3)NC2)cc1OC 58541704 NOKGLXZYAHJAPV-UHFFFAOYSA-N 371.506 3.356 0 1 FGAF O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Nc1ccccc1 29324703 PFVOSGMAMDBGFG-UHFFFAOYSA-N 365.364 3.491 0 1 FGAF CC[C@H]1C/C=C\C[C@@H](c2ccc(OC)cc2OC)NC(=O)[C@@H](C)CC(=O)N1 100087027 AELWNOGVSMDSML-ZCJNPALESA-N 374.481 3.132 0 1 FGAF O=c1c2ccccc2nc(-c2ccccc2)n1NCCNc1nccs1 103171695 AUELUGZVBSPOAH-UHFFFAOYSA-N 363.446 3.176 0 1 FGAF COc1cc(OCC=C(C)C)c(C=CC(=O)O)c2c1C[C@@H](C(C)(C)O)O2 2356504888 IXDPQGMWVFSXMM-KRWDZBQOSA-N 362.422 3.212 0 1 FGAF CCO[C@@](C)(c1ccc(O)c(OC)c1)[C@H](CO)c1ccc(O)c(OC)c1 2356584126 UEIZIIBKVWSXIK-QRWLVFNGSA-N 362.422 3.143 0 1 FGAF C[C@H](CCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356628920 LCCMRNZRAPDWCS-OGJJZOIMSA-N 360.491 3.234 0 1 FGAF CCOc1cc(OCC)cc([C@H](Nc2ccc(C(=N)NO)cc2)C(=O)O)c1 28529337 SYWAYWKJQPKZLA-KRWDZBQOSA-N 373.409 3.026 0 1 FGAF CS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 68198076 WWOXYKIVKIDSIX-PMACEKPBSA-N 357.475 3.231 0 1 FGAF C[C@H]1NC(=S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1 29328444 CLTOUVBTMGFGES-MEBBXXQBSA-N 360.870 3.086 0 1 FGAF CC(=O)[C@@H](C)[C@H]1c2ccc3c(c2C(=O)c2ccc4c(c21)OCO4)OCO3 13385387 KIGVBPONNKWVTQ-PSLIRLAXSA-N 352.342 3.045 0 1 FGAF biogenic COCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CC1 1911583960 OWCXPVJORVOLFB-UHFFFAOYSA-N 353.344 3.058 0 1 FGAF COc1ccc(OC)c(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c1 40405028 OJQIKYXIZXWXPK-INIZCTEOSA-N 369.425 3.155 0 1 FGAF Cc1nnc(CO)n1-c1ccc(Cl)cc1[C@H](N)c1ccccc1Cl 148889147 RDCGAQFBSIWMKO-QGZVFWFLSA-N 363.248 3.423 0 1 FGAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1[C@@H](O)C=C2C1=CC(=O)OC1 257475563 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360.362 3.257 0 1 FGAF biogenic COc1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1OC 73386639 FNRMRKUDHUGJBI-UHFFFAOYSA-N 362.389 3.399 0 1 FGAF C[C@@H](N=c1[nH]c2c(cnn2C(C)(C)C)c(=O)n1C)c1ccc(Cl)cc1 1911571485 FOONRUPVEXAUPG-LLVKDONJSA-N 359.861 3.133 0 1 FGAF Cc1ccccc1C1=N[C@@](C)(CC(=O)N(C)Cc2ccccc2)ON1C 74374343 OYCRCZTYVCNUKH-OAQYLSRUSA-N 351.450 3.384 0 3 FGAF O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C\[C@@H](COc2ccccc2)O1 40639374 ZWESPJLQSOQNEF-FRICWLNGSA-N 372.461 3.022 0 1 FGAF O=C(CNc1nc(-c2ccc(Cl)s2)cs1)NC[C@H]1CCCO1 82195824 UBRKVTAGYPIZSE-SECBINFHSA-N 357.888 3.232 0 1 FGAF CN(CC(=O)NCCC1=CCCCC1)C(=O)c1coc(-c2cccs2)n1 82085657 MSPYREFPJTYBHI-UHFFFAOYSA-N 373.478 3.482 0 1 FGAF Cn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23)cn1 231375103 HGVGFSWIDYRBBA-UHFFFAOYSA-N 361.405 3.258 0 1 FGAF in-vitro CN(C)c1nccn2c(I)c(-c3ccccc3)nc12 473165471 CLSQCKAWSQLCQD-UHFFFAOYSA-N 364.190 3.067 0 1 FGAF COc1nc(-c2ccc3cc[nH]c3c2)nc(=NCCc2ccc(F)cc2)[nH]1 473162786 MMBSMRAKNQXUAE-UHFFFAOYSA-N 363.396 3.244 0 1 FGAF COc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1 653780446 FGJPBTWOPKWZSD-UHFFFAOYSA-N 363.373 3.020 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cc(C)cnc2[nH]1)c1ccc(Br)cc1 586984805 JAGGJQPFSRZQQR-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF C[C@@]1(c2nccnc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341430 YQRFHLFJSKIIFJ-OXQOHEQNSA-N 365.364 3.178 0 1 FGAF CCOC(=O)[C@]1(CCC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418093 AHXZWFAAIUUXGG-BDJLRTHQSA-N 358.312 3.087 0 1 FGAF CC(=O)NCCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388255 ZDXIRCFWYUEMSZ-NRFANRHFSA-N 352.434 3.136 0 1 FGAF COC1=C(Br)[C@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587417122 JLXXQZZBEGOKKC-QLJPJBMISA-N 351.196 3.228 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncnc3[nH]2)cc1 586949996 LIJOXMYNWYHUMN-UHFFFAOYSA-N 365.418 3.129 0 1 FGAF CN1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586121 HJHDLBALGQICAX-ZELHYINTSA-N 351.402 3.349 0 1 FGAF C[C@@]1(c2ccc(O)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346002 KTBWJSVQLGLNNV-ICSRJNTNSA-N 366.348 3.301 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC3 587106634 MNSBNJYFMLIIHU-FFUDGTDTSA-N 370.408 3.149 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H]1CCOC1)CC2=O 587494437 YLLYLPCFPTYAPX-ZUOKHONESA-N 362.422 3.038 0 1 FGAF CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587594767 IUNXWFFDDFBTJR-JXFKEZNVSA-N 368.385 3.456 0 1 FGAF O=Cc1cnc2n1C=CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590378 ZQPYZWSRZSXXHM-UWJYYQICSA-N 374.352 3.133 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cncc(C)c2[nH]1)c1ccc(Br)cc1 586986465 XTIHRIUOAVOOIG-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Br)ccnc2[nH]1 587052928 UKKAVNCVKNXSSK-SNVBAGLBSA-N 367.634 3.322 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2cc(OC)ncc2[nH]1)C(F)(F)F 587093904 ZULGGVSXIPZWBQ-INIZCTEOSA-N 366.343 3.130 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(C)cc21 587482680 CKGLIPFKEHUEMJ-OAQYLSRUSA-N 351.402 3.490 0 1 FGAF CCOc1cc(F)c([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(F)c1 963474893 XMQXOXAPLGVREZ-KSSFIOAISA-N 363.360 3.066 0 1 FGAF COc1ccc(C)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772608211 VYTXPHXMCJCVLC-INIZCTEOSA-N 353.378 3.364 0 1 FGAF Oc1ccc2c(c1)O[C@@H](CNCCCOc1ccc3ncoc3c1)CC2 12356188 PPSUFDUYMIFSSO-QGZVFWFLSA-N 354.406 3.286 0 1 FGAF COc1ccc(-c2cc(-c3noc(C)n3)c(=O)n(C)c2-c2ccncc2)cc1 13473213 LWBPSUPIGJIVLM-UHFFFAOYSA-N 374.400 3.481 0 1 FGAF COc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC 13863215 FVZAOOBWDJAZSH-GFCCVEGCSA-N 352.390 3.245 0 1 FGAF CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccnc1 13983010 JJZSHPQBJIRGMW-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF CN(CCCCCN1C(=O)c2ccccc2S1(=O)=O)Cc1ccccc1 1857650562 OYAMBDAIKGEMDJ-UHFFFAOYSA-N 372.490 3.133 0 1 FGAF C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1 1857767518 JNNDLQDMNXKSCP-UHFFFAOYSA-N 369.446 3.436 0 1 FGAF COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC(C)(C)C)cc1OC 4901563 VHETVAAMHNSCRN-MRXNPFEDSA-N 361.394 3.110 0 3 FGAF C#Cc1cccc(Nc2ncnc3ccc(OCCCC(=O)NO)cc23)c1 59149215 PWQNLOZKTWADFT-UHFFFAOYSA-N 362.389 3.019 0 1 FGAF CNC(=O)c1ccc(C)c(N2Cc3nc(NC4CCCC4)sc3C2=O)c1 29041457 LDCRZESTSIGKMQ-UHFFFAOYSA-N 370.478 3.326 0 1 FGAF CSc1nc2sc3c(c2c(=O)n1-c1ccc2c(c1)OCO2)CCC3 28949231 PUUPDPOSEBYGFU-UHFFFAOYSA-N 358.444 3.387 0 1 FGAF CC[C@]12C=C(C(=O)OCCO)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 28965209 WBEVCQPAHIHTRP-IFMALSPDSA-N 366.461 3.121 0 1 FGAF c1ccc(CCNCC2(N3CCCC3)COc3ccccc3OC2)cc1 28821266 SDANSUYLLDYVEH-UHFFFAOYSA-N 352.478 3.125 0 1 FGAF O=C([C@@H]1CCCN1c1nccc(Nc2ccccc2)n1)N1CCCCC1 39301036 WIQMOKAHSLDPIC-KRWDZBQOSA-N 351.454 3.202 0 1 FGAF c1cc(OCCCN2CCCCC2)ccc1CN1CCC2(CC1)OCCO2 135858269 ZGAZKQWQIOPMTC-UHFFFAOYSA-N 374.525 3.280 0 1 FGAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](CO)CC[C@@]12C 40394812 ZCYNGZQSKJQXRJ-WJLOEWIOSA-N 362.466 3.107 0 1 FGAF COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 25206425 MAUKZDZPGRICGP-YOEHRIQHSA-N 373.493 3.376 0 1 FGAF biogenic CC1=Nc2ncnn2[C@H](c2ccccc2F)/C1=C(\O)OC[C@H]1CCCO1 618019094 OZZAXODKRPQQIB-JTFANYASSA-N 358.373 3.078 0 1 FGAF COCCC[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795898 SKCAFXCCSSIMHI-BZNIZROVSA-N 360.267 3.391 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(Br)cc1O)O2 587378196 SKMRYEMUQKSAQE-HNNXBMFYSA-N 364.195 3.457 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587442282 IBAPLMDGTCLPOC-XOBRGWDASA-N 359.422 3.212 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(CNc3ccccc3Cl)[nH]c12 587062030 NPJZEVBXGIKTMH-UHFFFAOYSA-N 364.858 3.079 0 1 FGAF O=C1C[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CN1 587105660 DCISRUBHYMMZGO-HSZRJFAPSA-N 354.409 3.441 0 1 FGAF CCOC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742949 VDUODZSFRMKOMH-IIRLODAESA-N 373.222 3.036 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)(C2CC2)N1 587836146 ZCYVDFAIEXXNIQ-BMLIUANNSA-N 370.262 3.491 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(C[C@@H](O)c1ccccn1)N(C)[C@@H](C)C2 962642445 VBUSNCPHJLFZSO-HLLQZAQXSA-N 356.466 3.314 0 1 FGAF COc1ccc(C[C@H](C)[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962932491 QGKCUNMWNMLNIV-YCRPNKLZSA-N 352.478 3.463 0 1 FGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)[nH]1 962630068 HGQNEMURVYASQN-WFASDCNBSA-N 354.328 3.218 0 1 FGAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccccc1 1772652123 SESJORIIMPHFEV-PWRODBHTSA-N 368.452 3.321 0 1 FGAF COc1ccccc1N1CCN(C[C@@H]2CC(=O)c3ccsc3C2)CC1 13471650 GFOUFGCPXBMGCF-OAHLLOKOSA-N 356.491 3.324 0 1 FGAF Cc1onc(-c2ccccc2)c1Cn1cc(Cn2ccc3cncnc32)nn1 1857603783 FIFFTWNEBAXANB-UHFFFAOYSA-N 371.404 3.083 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H](C)C3=CC(=O)O[C@@]3(O)C[C@H]12 2356335679 CXVQWAXJRDNQFX-UMGZWECFSA-N 362.466 3.210 0 1 FGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@H]3C[C@H]12 2356469694 XXZJUUFVWAGZEG-GKTLAZJLSA-N 366.461 3.487 0 1 FGAF Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1 117702343 VKLCNDBSPMJIHO-UHFFFAOYSA-N 360.421 3.341 0 1 FGAF CCC/N=c1\c(NS(=O)(=O)c2ccccc2)c(O)oc2ccccc12 103637360 KDKPQVNJHCBTPZ-MNDPQUGUSA-N 358.419 3.250 0 1 FGAF COC(=O)/C(=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 103191417 XNPMNPFPQXELOC-RIYZIHGNSA-N 374.389 3.140 0 1 FGAF Cc1ccc(CNC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)cc1 101780522 YSVBXEVGGPXVIL-UHFFFAOYSA-N 363.446 3.175 0 1 FGAF CN(C)C(=O)Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66112239 FSJKHTVMNMNMEP-UHFFFAOYSA-N 351.372 3.401 0 1 FGAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]23C)CO1 2356518372 OGMABKWVTZVRID-YEJLNNFFSA-N 366.498 3.080 0 1 FGAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)N[C@H](N2)N34)O1 2356823081 GIQKPLVXNCLHHV-CSDLJKASSA-N 361.530 3.216 0 1 FGAF CCN(CC)CCc1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O 65418189 GGXNTIIAKOWXQN-AWEZNQCLSA-N 360.889 3.017 0 1 FGAF O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 36184648 OLHRLKFUMOQGCV-PMACEKPBSA-N 371.383 3.408 0 1 FGAF CC(C)NCC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823680 UAEKMXKJCGTAPN-HXUWFJFHSA-N 365.477 3.120 0 1 FGAF CC(=O)OCc1cc(Br)c(OC(C)=O)c(Br)c1 13450320 CDRUEOXOYBGGMU-UHFFFAOYSA-N 366.005 3.200 0 1 FGAF biogenic COc1cccc(-c2nc3n(c2-c2cccc(OC)c2)CC[S@]3=O)c1 40641206 GBLGWGHNKZAXMR-VWLOTQADSA-N 354.431 3.356 0 1 FGAF COc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c(OC)c1 96282995 GKYUYHRPWWLTDD-UHFFFAOYSA-N 350.378 3.415 0 1 FGAF CCOC(=O)[C@H]1[C@H]2[C@H](O)C[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)N2C 253694927 WPSZKOIIDITBPV-QSDOXLQRSA-N 358.265 3.094 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc1OC2=O 587612118 UFMDTHMFGCGZSS-PGRDOPGGSA-N 374.348 3.254 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556133 NOTJZPOXJFYOBY-BPAFIMBUSA-N 374.364 3.404 0 1 FGAF COc1c(F)ccc(-c2nc3c(C)c(Br)cnc3[nH]2)c1N 587133363 PCDVFNIGFPLOTR-UHFFFAOYSA-N 351.179 3.426 0 1 FGAF CCS(=O)(=O)c1ccccc1-c1nc2c(Br)ccnc2[nH]1 586923059 XEWPXAIXHPDCEX-UHFFFAOYSA-N 366.240 3.181 0 1 FGAF CCCOc1cc2nc(CCC(=O)NCC)[nH]c2cc1Br 587231115 SDKVTWZOPNEEIR-UHFFFAOYSA-N 354.248 3.183 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](Cn1c(=O)oc3ccccc31)CC2=O 587487774 NWGFTLAYAAYENF-LBPRGKRZSA-N 353.374 3.287 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1 587224839 KLHZBUWSWJCDMM-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCOCC2)N1 587769494 BFULTYZCGGPCPJ-PXAZEXFGSA-N 371.294 3.060 0 1 FGAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1 587068020 WKWFKYQNBWIEJU-UHFFFAOYSA-N 368.780 3.244 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cn2)OCO3)N1 587778194 LKXPVBLFLUVYLW-BCTVWOGZSA-N 365.202 3.336 0 1 FGAF CC1(C)OC(=O)C(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)=C1N 587254961 AHSGRGKVTHWOAV-UHFFFAOYSA-N 361.707 3.120 0 1 FGAF COC(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592799 KNMOXBAPPHWJLF-FXAWDEMLSA-N 356.374 3.312 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(CO)cc2[nH]1)C(F)(F)F 587091202 BZNXPURMYJTUJH-QGZVFWFLSA-N 365.355 3.219 0 1 FGAF O=C(O)c1cc2n(n1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521463 BJETXKQIGXHRBX-FQEVSTJZSA-N 352.390 3.115 0 1 FGAF O=C1CCN(C[C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 13449194 CJKRJBWHEVZPAO-AWEZNQCLSA-N 369.292 3.192 0 1 FGAF CN(C)Cc1ccn2c(-c3cc(=N)[nH]cn3)c(-c3ccc(F)cc3)nc2c1 1857565819 MWYDBBYYMMDKIW-UHFFFAOYSA-N 362.412 3.072 0 1 FGAF Cc1nc2ncc(-c3cnn(C)c3)nc2n1Cc1ccc2ncccc2c1 1857611441 CQJFVZQSLLEOKY-UHFFFAOYSA-N 355.405 3.132 0 1 FGAF O=C1CCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857645935 GTYLNENMAJWOPX-OAHLLOKOSA-N 358.388 3.446 0 1 FGAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1OCCO 2006851 NFSVUJIJKGNQIM-QGZVFWFLSA-N 365.216 3.118 0 1 FGAF NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 3590595 HPWXTXFKWYWTON-UHFFFAOYSA-N 356.381 3.182 0 1 FGAF Cc1c([C@H](C)OC(=O)CCC(=O)O)oc2cc(C3=CC(=O)OC3)ccc12 4212081 FEOCZXGTZPIZIQ-NSHDSACASA-N 358.346 3.150 0 1 FGAF in-man C[C@@H](NC(=O)Cn1ncc2c(Cl)cccc21)c1ccc2c(c1)OCCO2 6768335 XDNFRDFKDACMCS-GFCCVEGCSA-N 371.824 3.338 0 1 FGAF CCSC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 29250998 CYHPTRUCQVNDNG-HNNXBMFYSA-N 369.284 3.444 0 1 FGAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)n1 2356302123 MEFCKVFTWDUSPP-MAUKXSAKSA-N 370.428 3.014 0 1 FGAF CN(Cc1cccc2ccccc12)C(=O)[C@@H](O)[C@H](N)CC1CCCCC1 27994233 WQOWLNLZBGHPDT-RTWAWAEBSA-N 354.494 3.457 0 1 FGAF O=C(c1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356542588 YBSLQXRHDUPOIN-YOEHRIQHSA-N 357.360 3.081 0 1 FGAF COc1cccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)c1OC 2356689438 JNSCCTMZOHUUSE-UHFFFAOYSA-N 356.330 3.215 0 1 FGAF CS(=O)(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21 36124458 CIJGOELHKOXFQD-UHFFFAOYSA-N 371.466 3.046 0 1 FGAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 74378670 UVMYVXGBFJWQIA-CZUORRHYSA-N 362.763 3.493 0 3 FGAF N=C(Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 34804363 VYTLCNSINNARDN-UHFFFAOYSA-N 352.438 3.394 0 1 FGAF CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(=O)O 73162888 MZLAEKOAINERGI-CQSZACIVSA-N 368.441 3.294 0 1 FGAF COC(=O)/C=C(/c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 84544529 AAWQSTSALDJMOQ-SFQUDFHCSA-N 358.390 3.326 0 1 FGAF O=C1CCc2cc([C@](O)(c3ccccc3)c3ccncc3)cc3c2N1CC3 95593081 DORBQYJIKXWGNW-QHCPKHFHSA-N 356.425 3.201 0 1 FGAF Cc1cc(OC(=O)OCCCCCCO[N+](=O)[O-])n(-c2ccccc2)n1 95555663 IKSSZWITQQNOKM-UHFFFAOYSA-N 363.370 3.465 0 1 FGAF C[C@H](O)CCSc1nnc(COCc2ccccc2)n1-c1cccnc1 618017763 ZEGRNFXJHJWPQW-HNNXBMFYSA-N 370.478 3.242 0 1 FGAF CCN1C(NCc2ccc(Cl)nc2)=C([N+](=O)[O-])[C@H](C)C[C@H]1OC(C)C 299846610 VQAPFDYWQUEKTQ-IUODEOHRSA-N 368.865 3.383 0 1 FGAF O=C(O)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604271 RVJBUWPXIJGNPT-JTBRQZTESA-N 354.358 3.367 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc3c(c1)OCO3)O2 587390632 OUKUMZDMPOZKKU-HXUWFJFHSA-N 368.389 3.059 0 1 FGAF O=C([C@H]1CCCOC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657111 VJIKUEHHISARNB-ZDUSSCGKSA-N 370.355 3.409 0 1 FGAF COc1ccc(-c2nc3cccnc3[nH]2)c(I)c1 587180621 USBTZKJGRFKMIF-UHFFFAOYSA-N 351.147 3.238 0 1 FGAF CN(C)c1ccc(-c2nc3c(I)cccc3[nH]2)nc1 587194516 HNNQXGZPBIYRQL-UHFFFAOYSA-N 364.190 3.296 0 1 FGAF CCc1ccccc1NC(=O)c1nc2cc(OCCN(C)C)ccc2[nH]1 587240387 CZTPSFWBLLNGIU-UHFFFAOYSA-N 352.438 3.318 0 1 FGAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CC(=O)O 587399152 IVBFVIKBOGSPRE-FQEVSTJZSA-N 355.390 3.094 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587441967 WIJNGLQARKHXKD-WBUIGNHESA-N 354.358 3.036 0 1 FGAF COC(=O)[C@@H]1C[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806091 JCYIATUBRFBWIK-BFCNOCSMSA-N 368.246 3.457 0 1 FGAF C[C@@H](F)[C@@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587124796 PCHKNAHUSJGMQP-CLZZGJSISA-N 351.017 3.446 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587061683 XPLMWOZMXZAMRY-UHFFFAOYSA-N 374.809 3.186 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1F 587367996 FOHXVWNGDCDNRJ-UHFFFAOYSA-N 350.147 3.313 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587430177 ZAZUYYFCXLUQOO-JLMWRMLUSA-N 367.420 3.425 0 1 FGAF Cn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)cn1 12194973 VIPRGXYOTWUEEH-QRFRQXIXSA-N 370.884 3.012 0 1 FGAF CCN1C(=O)c2cc3c(OC)cc(OCc4ccccn4)cc3n2C1=S 13487562 AUFFFZCSPVFHSE-UHFFFAOYSA-N 367.430 3.233 0 1 FGAF Cc1ccc2c(c1)C1=C(c3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]1CC2 13489707 KCJMUDJRPFAATN-QGZVFWFLSA-N 354.427 3.181 0 1 FGAF CC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC(C)=O 13584561 ZECOOWYIOUNSNT-UHFFFAOYSA-N 354.314 3.016 0 1 FGAF biogenic,in-vitro COC(=O)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672630 PRYUUYRGVGJMAB-IWQHBPENSA-N 366.461 3.332 0 1 FGAF COc1ccc2c(c1)c(C(=O)CC(=O)C(=O)O)cn2Cc1ccc(F)cc1 13675138 MONSDTWEJSHHJO-UHFFFAOYSA-N 369.348 3.064 0 1 FGAF Oc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1F 168802931 MAJCSEQNLJOMIN-UHFFFAOYSA-N 355.304 3.027 0 1 FGAF O=C(C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)N1CC[C@H](F)C1 1857582662 AGIPBGOLTFGLLO-KRWDZBQOSA-N 372.419 3.070 0 1 FGAF Cc1ncc2cc(-c3ccccc3I)c(N)nc2n1 27215289 LRQVSCWUMNKBFB-UHFFFAOYSA-N 362.174 3.187 0 1 FGAF O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccccc1O 2488729 NIFHBKYCRXIYCS-UHFFFAOYSA-N 374.396 3.183 0 1 FGAF NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 3814451 YBKLJTXDSBEVRV-UHFFFAOYSA-N 370.413 3.258 0 1 FGAF in-vivo CC[C@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 3954267 FFVRRQMGGGTQRH-NDQWIJPBSA-N 354.450 3.042 0 1 FGAF O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CC1 3962427 OPHYEXYVUVQGHH-IEPXPHTDSA-N 369.527 3.073 0 1 FGAF Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4845928 PHOXYRXIMXQVMB-LZDSYCOUSA-N 360.841 3.008 0 1 FGAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(CC2CCC2)CC1 29467473 XDTGFQSSZYGNNU-UHFFFAOYSA-N 351.878 3.381 0 1 FGAF COc1ccc(NC(=O)Oc2ccc(S(=O)(=O)O)c3cccnc23)cc1 27727920 LTHMDQULXJZFHR-UHFFFAOYSA-N 374.374 3.101 0 1 FGAF CCc1ccc(CCOc2ccc3cc(C(=O)OC)c(=O)oc3c2)nc1 27084628 SRMWMTKVMZFXNV-UHFFFAOYSA-N 353.374 3.159 0 1 FGAF Nc1nc(N)c2c(Cl)c(NC(=O)Cc3ccc(Cl)cc3)ccc2n1 25969449 PVGNFORRRHIFDY-UHFFFAOYSA-N 362.220 3.282 0 1 FGAF C[C@H]1CN(C(=O)C2CC2)N=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3 28004090 SZMRXVSGGIDTLL-LBPRGKRZSA-N 363.417 3.106 0 1 FGAF CS(=O)(=O)c1ccc([C@@H]2SCCC(=O)N2Cc2ccccc2)cc1 71296095 USOQSXIGNMPKGV-SFHVURJKSA-N 361.488 3.254 0 1 FGAF O=C(O)c1cc2cc(Br)cc(OC[C@@H]3CCCNC3)c2o1 71295423 DBDYEQWRFONQEP-SECBINFHSA-N 354.200 3.272 0 1 FGAF CC[C@H](C)CCN1C(=O)[C@](O)(c2ccc3c(c2)OCO3)c2ccccc21 71333290 UMKRKRDQZNEOFO-QKKBWIMNSA-N 353.418 3.434 0 1 FGAF COc1cc(CNc2nc(N3CCC[C@@H]3C)ncc2C)cc(OC)c1OC 82202741 GMZQDDBCKASZQP-AWEZNQCLSA-N 372.469 3.412 0 1 FGAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCN1CCCCC1 82184764 BOOVJKMIYIIDHV-UHFFFAOYSA-N 356.518 3.333 0 1 FGAF COc1ccc2c(c1OC)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2 95564800 UODOMXGMPUZWLD-UHFFFAOYSA-N 352.410 3.385 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1 586941117 NPONJMMKFVATBR-VOTSOKGWSA-N 362.842 3.010 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2cc(Cl)c(F)cc2[nH]1 587567134 FBLIRGHHAAZESM-UHFFFAOYSA-N 372.824 3.274 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587451837 RRCAGDFDKYFAJZ-LBJGKRIESA-N 350.370 3.300 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CO)cc4[nH]3)cc2N1 587123279 HIWNCXSOMGRBNL-OQPBUACISA-N 351.332 3.226 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cnccn23)N1 587772294 FHDUQTZWPITNAP-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)cc1F 587144311 LLNPTLHWBPHVNM-UHFFFAOYSA-N 362.364 3.416 0 1 FGAF Nc1ccc(F)c(Cc2nc3cccc(I)c3[nH]2)c1 587140639 FFOOWULVPIFYFK-UHFFFAOYSA-N 367.165 3.480 0 1 FGAF CCN1C(=O)C[C@@H](c2nc3c(N)ccnc3[nH]2)[C@@H]1c1ccccc1Cl 587060647 BURJDDWFFRFZMN-BZNIZROVSA-N 355.829 3.271 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CO)n2)N1 587767882 BQPYAWCBUDRUDB-ABKXIKBNSA-N 351.219 3.099 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596144 UVKJTXCKIQKNLU-ADYAMRHXSA-N 354.358 3.066 0 1 FGAF CN1CCN(c2ccc3[nH]c(-c4ccc(Br)o4)nc3c2)CC1 587006485 LKSDSQCOZVSMAJ-UHFFFAOYSA-N 361.243 3.337 0 1 FGAF Cc1nc2sc(-c3ccc4c(O)nc(O)nc4n3)c(N)c2c(C)c1C 587563091 CZCONRNRFLVKGA-UHFFFAOYSA-N 353.407 3.220 0 1 FGAF COc1ccccc1[C@@]1(CN)c2cccc(F)c2CCN1[C@H]1CCSC1 962713426 RRTWQQMCMWPFSG-YCRPNKLZSA-N 372.509 3.400 0 1 FGAF CNC(=O)c1cc2c(cc1O)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772645048 ZKUGZJSDNUURRE-LAUBAEHRSA-N 354.450 3.402 0 1 FGAF Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCOC4)C(C)(C)C3)nc12 1772632448 GHLMLJMEPBTLPT-ZWKOTPCHSA-N 367.493 3.301 0 1 FGAF CCOC(=O)Cc1csc(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1 5015180 BKLQMZNGKLOXNP-OBJOEFQTSA-N 370.540 3.282 0 1 FGAF C[C@@H]1CC(=O)N(CC(=O)NCCc2ccccc2)c2ccccc2S1 5052640 SUWZLJILBGBGAV-OAHLLOKOSA-N 354.475 3.263 0 1 FGAF COc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CCOC(=O)CC1 13488538 DBATVNQYVGHPQA-NRFANRHFSA-N 353.418 3.090 0 1 FGAF CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O 13775991 VANBLRXIQQOIJQ-UHFFFAOYSA-N 366.508 3.203 0 1 FGAF CC1=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc32)N=C1N 169708521 XUUHWYIFXDEHNF-SFHVURJKSA-N 354.435 3.076 0 1 FGAF C=C(F)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1F 205782193 MUTOZSXSDDWABJ-UHFFFAOYSA-N 372.331 3.362 0 1 FGAF COc1cc(OC)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl 1857577323 UCXSMGOCIDFOJV-UHFFFAOYSA-N 360.845 3.067 0 1 FGAF Cc1ccc(Oc2ncc(Cl)cc2-c2n[nH]c(S(C)(=O)=O)n2)cc1 1857752680 ZMQCFIZCKPSMKQ-UHFFFAOYSA-N 364.814 3.024 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@H](C(C)=O)C[C@]12C 2356402910 UWQVIOGQUQQNPO-FUQZIJMVSA-N 372.417 3.235 0 1 FGAF O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1Cc1ccccc1 4238512 GYDIWJKQECNUKB-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF CC(=O)N1CC=C[C@@]1(CC(C)C)C(=O)NCCc1c[nH]c2ccccc12 7992713 CNJSWWIBXZBWEY-OAQYLSRUSA-N 353.466 3.030 0 3 FGAF Cc1noc(=O)n1CCCCCCCCCCCCn1c(C)noc1=O 28709053 OAKOESBJSMVOGM-UHFFFAOYSA-N 366.462 3.204 0 1 FGAF CC(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccc(F)cc12 29047487 PIIVXMNAKBBMBD-UHFFFAOYSA-N 365.412 3.129 0 1 FGAF CC=C(CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356515898 FRUFGLJBMBUARK-LPHOPBHVSA-N 352.434 3.083 0 1 FGAF CC(=O)[C@H](C)[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2356572062 NYJDPARBGPGZBE-JEOXALJRSA-N 370.357 3.267 0 1 FGAF O=C(CC1=CCCCC1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 39447035 VRAASEWNDSGZTG-JOCHJYFZSA-N 367.493 3.313 0 1 FGAF CC(=O)Nc1cccc(/C=C/C(=O)N2CCC(N3CCCCC3)CC2)c1 45227800 XARBEKGYQTYNTA-CMDGGOBGSA-N 355.482 3.135 0 1 FGAF CCNc1nc(NCCc2ccc(O)cc2)nc2cc(OC)c(OC)cc12 82131462 LQOUNCWGLRPGCC-UHFFFAOYSA-N 368.437 3.439 0 1 FGAF Nc1cc2c(cc1Cl)NC(=O)Nc1cncc(n1)OCCC=CCO2 299810538 DSUIEFJZFWCWOF-UHFFFAOYSA-N 361.789 3.074 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccnc3)nn1)CC2=O 587481960 YLDSPXDNYFQNJG-IBGZPJMESA-N 364.405 3.086 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)n(C)c1)CC2=O 587470573 LKXMKECXQGMEAL-FQEVSTJZSA-N 357.406 3.350 0 1 FGAF CCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587584299 ZJJSAIUWPJTICK-XLIONFOSSA-N 350.374 3.486 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[C@@H](C2)C3=O 587440457 ZUJOSFJQJSYYQC-HCQWSFJTSA-N 373.449 3.458 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587176021 ZIIVIJKDRJAICR-CQSZACIVSA-N 363.396 3.311 0 1 FGAF COC(=O)C1=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587812395 YYDBZUZVTLMGNM-JDNHERCYSA-N 354.219 3.211 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 963607694 JYTLSWQFBAOYKO-PFLRUHLXSA-N 372.509 3.135 0 1 FGAF O=C(O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 12482761 OXRWCJDIHPEXGS-SWLSCSKDSA-N 360.328 3.293 0 3 FGAF COc1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2 13828237 VEWIUEUYTQRUFK-ZDUSSCGKSA-N 369.421 3.127 0 1 FGAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(N(C)C)cc1 169730651 RQOPXBIRFGKNKT-ZWKOTPCHSA-N 354.406 3.139 0 1 FGAF CCN(CC)CCNc1ccnc2c(NCCN(CC)CC)ccnc12 1857534550 BLVMBIOGTCUAKM-UHFFFAOYSA-N 358.534 3.137 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3c(cc(OC)c(O)c3OC)CN1CC2 1857617490 NWYYBDGDVQCHHQ-MRXNPFEDSA-N 371.433 3.082 0 1 FGAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cncnc1 103249849 XQGSRBYRFSRHRR-UHFFFAOYSA-N 363.402 3.459 0 1 FGAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@H](c1ccccc1)C3 28871463 UPPAWGRIZBJMGJ-INIZCTEOSA-N 363.461 3.109 0 1 FGAF CCCCNCC1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]3C1 27721180 JRAMAKRATQPWFA-YGLGAKQISA-N 368.521 3.290 0 1 FGAF COc1ccc(F)cc1-c1nc([C@H]2SC[C@@H](C(=O)O)N2C)cs1 103234764 RRPYRDYWZWYKBF-SMDDNHRTSA-N 354.428 3.088 0 1 FGAF CC(C)/C=C/C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 61688092 YMCGTUUIRCFIIG-BBVFFXRHSA-N 359.489 3.151 0 3 FGAF Cn1ccnc1Sc1cc(C(=O)NCc2ccccc2)c(N)cc1F 28871885 FTDLYMZMJODHOV-UHFFFAOYSA-N 356.426 3.223 0 1 FGAF COC(=O)c1cccc(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)c1 26831201 BAFSLDDOOCWFLC-UHFFFAOYSA-N 353.422 3.474 0 1 FGAF CCCCNC(=O)N1C(=O)C(CC)(CC)[C@H]1Oc1ccc(C(=O)O)cc1 27207330 DGKRQDSBDPBIGN-QGZVFWFLSA-N 362.426 3.248 0 1 FGAF COC(=O)C1=C2[C@@](C)(C(=O)OC)CCC[C@]2(C)c2cc(C(C)=O)ccc21 2356703099 LQPOHALBCNGILQ-RTWAWAEBSA-N 356.418 3.450 0 1 FGAF COc1cc2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2cc1O 14644610 RBURLMYXWBWYCB-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic c1nc(NCC2CC2)c2nc(-c3ccoc3)n(CCN3CCCCC3)c2n1 82180394 KVZBFXBMICJFDR-UHFFFAOYSA-N 366.469 3.394 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@@H]3[C@@]45C[C@@H](c6ccoc6)O[C@@H]4O[C@@H](O2)[C@@]13CC[C@H]5C 299815477 GRJSIUBKDJRQIL-RQJYPOGLSA-N 374.433 3.424 0 1 FGAF COc1cc(/C=C/C(=O)OCCCc2ccc(O)cc2)cc(OC)c1O 653901874 XEAKCBVFEADIQX-JXMROGBWSA-N 358.390 3.304 0 1 FGAF O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586967422 WTTZPTXKJMWRJF-UHFFFAOYSA-N 365.317 3.123 0 1 FGAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(C(N)=O)c2[nH]1)C1CCCC1 587226781 SMPLSPUOIWYJIM-AWEZNQCLSA-N 358.442 3.418 0 1 FGAF COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587440710 QCMRXZWNESAKLW-UWJYYQICSA-N 352.386 3.210 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C1CCCC1 587225955 NWOAXAANSKGBSB-SECBINFHSA-N 366.853 3.126 0 1 FGAF Cc1nc2cccc3c2c(c1CC(=O)c1ccc(S(C)(=O)=O)cc1)CC3 587216516 CYZBDDSNIWMXDF-UHFFFAOYSA-N 365.454 3.471 0 1 FGAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC 587441985 NKWZEEBNOXJCAR-QRWLVFNGSA-N 368.385 3.369 0 1 FGAF COc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 587224294 RDZKEFCIENNVLN-GOSISDBHSA-N 358.401 3.486 0 1 FGAF CC1(C)C[C@@]2(CC(=O)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346276 LLONVDZKWWLQNS-GHTZIAJQSA-N 369.392 3.318 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766681 HIIYWQQTSPSVBP-DIFFPNOSSA-N 369.278 3.350 0 1 FGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccccc2[nH]1 587181962 JHHBIADPHNDWAX-VIFPVBQESA-N 352.179 3.282 0 1 FGAF C=CN1CCCC[C@H]([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587445988 ZTAVRPLOSJXRLT-JKSBSHDWSA-N 367.445 3.364 0 1 FGAF CCOC(=O)Cc1ccc2[nH]c(C(=O)Cc3ccccc3OC)nc2c1 587932136 UVHRWWSWWDFPOC-UHFFFAOYSA-N 352.390 3.103 0 1 FGAF COC(=O)c1cc2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc2cc1OC 587934395 DJWLLITZIITNIM-BBATYDOGSA-N 370.405 3.204 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587449226 IKIQKIUIYSSSEQ-KKSFZXQISA-N 350.370 3.373 0 1 FGAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn([C@H]3CCOC3)c3ccccc13)C2 1772585574 YECORENGOXWWDS-JYJNAYRXSA-N 354.450 3.385 0 1 FGAF CCCNCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772621466 YHJRIDJSJPZEMJ-UHFFFAOYSA-N 355.390 3.250 0 1 FGAF Nc1nc(SCc2ccccc2)nc2c1nc(O)n2Cc1ccccc1 13492488 LWTHVYXRIXRYPA-UHFFFAOYSA-N 363.446 3.455 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1ccnn1 169224576 NVXQWNRQHRZHFZ-RNEDXHKXSA-N 352.482 3.418 0 1 FGAF C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 169289561 BIZMIUGITFUEIN-GCYAVDPESA-N 353.462 3.047 0 1 FGAF CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 169714672 IYYGBZJXHJSLEV-UHFFFAOYSA-N 356.447 3.312 0 1 FGAF CC(=O)c1cccc(-c2cnc3cnc(-c4cccc(C(N)=O)c4)cn23)c1 1857595079 NQTKHXDVVABFNZ-UHFFFAOYSA-N 356.385 3.365 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2ccccc2F)C[C@]1(O)C(F)(F)F 1857636911 GGNQYMQNDQBZNN-KRWDZBQOSA-N 366.314 3.256 0 1 FGAF O=C1CC[C@@H]2C[C@H]2N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857647545 JAHXCBDOLRBKOD-ASNKJTAVSA-N 370.399 3.445 0 1 FGAF COc1ccc(-c2cc(NO)c(C(=O)Nc3ccccc3)c(=O)o2)cc1 103238576 MIERWWCBXAABBY-UHFFFAOYSA-N 352.346 3.369 0 1 FGAF CCOC(=O)c1cncn1[C@H](C)c1ccc(I)cc1 29054706 GYEFGRRZIWCLJS-SNVBAGLBSA-N 370.190 3.274 0 1 FGAF CCc1nc(C)c(Br)n1-c1ccc(-c2ccc(=O)[nH]n2)cc1 29207940 UZJSZMWOEMGVKV-UHFFFAOYSA-N 359.227 3.256 0 1 FGAF CCc1nc2ccc(C(=O)NCCC(C)C)cn2c1N(CC)CCN(C)C 61903716 GCAKTPDIEBYVRW-UHFFFAOYSA-N 373.545 3.061 0 3 FGAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 2356521116 KJTANPQTPGUKEA-IJEWVQPXSA-N 363.527 3.111 0 1 FGAF COc1ccc(CC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 65248753 UQIBACHQDQLYLQ-FQEVSTJZSA-N 370.836 3.014 0 1 FGAF C[C@H](Nc1cc(N(C)C)nc(-n2cnc3ccncc32)n1)c1ccccc1 36348912 HTQVFEXMGNYDLT-AWEZNQCLSA-N 359.437 3.450 0 1 FGAF CO[C@@]12C(=O)c3cc4ccoc4cc3O[C@@H]1COc1cc3c(cc12)OCO3 15147380 NUYYOLGSNQWSLU-UYAOXDASSA-N 366.325 3.040 0 1 FGAF biogenic CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 72116170 UZYLFJRNQUYFQY-FQEVSTJZSA-N 355.482 3.365 0 1 FGAF OC[C@@H]1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139531094 LPHDUFGYMDTZPU-OAHLLOKOSA-N 363.421 3.226 0 1 FGAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3c(OC)cc(C)cc32)c1 40407366 RSVPMUUVXQKCSR-SFHVURJKSA-N 367.401 3.389 0 1 FGAF COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)c3ccccc3N3C(=N)C(C)(C)N1[C@H]32 40938219 NRCXVPUIHVDPSI-LRQRDZAKSA-N 353.466 3.444 0 1 FGAF COC(=O)[C@@]12C[C@@H](C)[C@@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 195427266 CTAGORHSTSPKPD-XXGCOSPLSA-N 367.367 3.433 0 1 FGAF COc1cc2nc(NCC3CCCCC3)nc(NC[C@@H](C)O)c2cc1OC 82129571 YJFYBZZZBLZOLL-CYBMUJFWSA-N 374.485 3.432 0 1 FGAF O=C(O)[C@H](Cc1ccccc1)Nc1nc(Cl)ncc1Br 82060718 NIFWKAWBRBQGSP-JTQLQIEISA-N 356.607 3.000 0 1 FGAF N[C@H](c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 95592454 KHLBPEISKHAEMP-MRXNPFEDSA-N 351.797 3.015 0 1 FGAF CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl 230507624 OYYNQAPQYQZOFQ-UHFFFAOYSA-N 360.845 3.429 0 1 FGAF in-vitro C=Cc1ccc(Oc2cc3cc(O)c(OC)cc3oc2=O)cc1OC=O 238766768 XLZVATDSSXSARO-UHFFFAOYSA-N 354.314 3.478 0 1 FGAF C/N=c1\c(NS(=O)(=O)c2ccc(C)c(C)c2)c(O)oc2ccccc12 617997500 PTIXMEWOALVYKF-MNDPQUGUSA-N 358.419 3.087 0 1 FGAF O=C(c1ccco1)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 377803471 CNNLTKYBIACZHA-UHFFFAOYSA-O 373.348 3.346 0 1 FGAF NC(=O)c1cncc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 621476135 RKBWPPUATNLVBD-UHFFFAOYSA-N 351.387 3.054 0 1 FGAF Cc1nccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774802 XXLWBZYPNMZNJR-FVMDXXJSSA-N 350.235 3.484 0 1 FGAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432827 LVPYZYIVSSHGKA-ODXCJYRJSA-N 371.389 3.018 0 1 FGAF NC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586901169 QMJUAFKFQFBLRV-UHFFFAOYSA-N 361.357 3.313 0 1 FGAF COC1CCC2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962675375 WRHVNZWJSKVEFP-LFNLJPBCSA-N 354.450 3.118 0 1 FGAF F[C@H]1COCC[C@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961785 WBVVBKFHOFFPGM-YOEHRIQHSA-N 359.363 3.311 0 1 FGAF COc1cc(CN2C=CC(=[N+]3CCCC3)CC2(C)C)cc(OC)c1OC 1857538396 RDVOAFRDEKMWTJ-UHFFFAOYSA-N 359.490 3.458 0 1 FGAF O=C(c1ccc([18F])cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 101618080 NIXIHSCMKWWEOU-HFMKWFDKSA-N 352.440 3.249 0 1 FGAF COc1cccc(N2CCN(Cc3nc(-c4ccco4)oc3C)CC2=O)c1 55074794 VGSVYZDMRWHUDZ-UHFFFAOYSA-N 367.405 3.100 0 1 FGAF COC(=O)[C@@H]1CC(=O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2356309155 FNVSXZHYPJQAOP-LPCQMJKOSA-N 374.433 3.459 0 1 FGAF Clc1ccc(-c2cnc3n2C[C@@H](CNCc2ccccn2)OC3)cc1 2356741892 ZLGBZFIWRWTKCN-QGZVFWFLSA-N 354.841 3.287 0 1 FGAF CCCCC[C@](C)(O)/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 33789994 DLJKPYFALUEJCK-MOZDTYPCSA-N 368.514 3.433 0 1 FGAF in-vitro Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@@H]3c1cccc(F)c1 45337230 TWDCWLXKCXORHJ-OAQYLSRUSA-N 351.425 3.438 0 1 FGAF NC(=O)CSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224800572 CLTVVEAYYIQWKH-UHFFFAOYSA-N 354.410 3.109 0 1 FGAF O=C(N[C@H](CO)Cc1ccccc1)c1csc(Nc2ccccc2)n1 82075552 LMYLTKVOADWQDT-INIZCTEOSA-N 353.447 3.220 0 1 FGAF COc1nc(Br)c(C(=O)c2ccc(Cl)cc2)c(O)c1OC 49033793 MRDUIDQMCACDMP-UHFFFAOYSA-N 372.602 3.451 0 1 FGAF CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 82146125 BEDZQSUCXXIEKB-OAHLLOKOSA-N 356.470 3.429 0 1 FGAF COc1cc([C@@H]2SCC(=O)N2c2ccc(O)cc2)cc(OC)c1OC 96915211 LBUJKKLQBRWNIZ-SFHVURJKSA-N 361.419 3.197 0 1 FGAF Nc1nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1-c1ccccn1 653668342 FVUJJGYMRGREBD-UHFFFAOYSA-N 371.322 3.353 0 1 FGAF COc1ccc(CCCc2nc3c(S)nc(S)nc3[nH]2)c(OC)c1 587928325 CYFXJWVZJCTZBT-UHFFFAOYSA-N 362.480 3.123 0 1 FGAF CCS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587164236 YRQXVWQMIUAKJP-UHFFFAOYSA-N 360.410 3.311 0 1 FGAF COC(=O)CC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443793 PRIOFUREICGDLX-IIBYNOLFSA-N 352.386 3.291 0 1 FGAF CCOC(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597257 QJWKSRLBSJRVOE-RXVVDRJESA-N 368.385 3.456 0 1 FGAF CCOC(=O)Cc1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 586907082 KBLQAPYEEIQQIX-CYBMUJFWSA-N 352.390 3.249 0 1 FGAF COC(=O)c1cc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2cc1OC 587162475 CSNROVBCZNHXIL-KRWDZBQOSA-N 357.385 3.148 0 1 FGAF CCOC(=O)C[C@@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587511284 FTHTYWCWZGQXDC-OAQYLSRUSA-N 368.433 3.113 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587786847 RVRSJNQBXVTMGH-WDEREUQCSA-N 362.311 3.315 0 1 FGAF COC(=O)c1cccc2[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc12 587785331 NCMAYBMJFMBCBD-CABCVRRESA-N 350.374 3.293 0 1 FGAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccco2)(c2cccnc2Cl)N1 962901791 SYOLDOPENQCZPX-LIRRHRJNSA-N 372.783 3.358 0 1 FGAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCO[C@@H]1c1ccnn1C)N(C)[C@H](C)C2 962640136 YYGZKHAZVUCCTH-FYLPIWPKSA-N 371.481 3.133 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@H]2c1nccnc1-c1ccncc1 963256140 AMYHWCGTIMJHLM-GOSISDBHSA-N 352.825 3.436 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](CF)C2 13517581 ZVBJVGBGWLUEOH-OAHLLOKOSA-N 354.834 3.125 0 1 FGAF O=S(=O)(Cc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](CF)C2 14951661 PDEBFUNTIYAZQV-MRXNPFEDSA-N 353.846 3.298 0 1 FGAF COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O[C@@H]2CCC[C@@H](C)C2)ccc1O 169687884 GEYUDGOBFPLGGT-PDLPPMLWSA-N 374.437 3.364 0 1 FGAF O=C1NCC2=Nc3ccccc3N[C@H](c3ccc(Br)cc3)[C@H]12 169691159 PMYQZECIWLZFGN-HZPDHXFCSA-N 356.223 3.434 0 1 FGAF COc1cccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857566237 UPMCMHNJWBLBMF-QGZVFWFLSA-N 370.430 3.043 0 1 FGAF COc1ccc(OC)c2c1C[C@@H]1c3cc(C(=O)N(C)C)sc3CCN1C2 1857745332 MQAOLQJCOWAUKE-OAHLLOKOSA-N 372.490 3.123 0 1 FGAF CCCCc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O 2499491 AUTOBFPFYKMQRP-AUUYWEPGSA-N 366.465 3.219 0 1 FGAF COc1cccc(-c2nc3ncnc(O)c3nc2-c2cccc(OC)c2)c1 28337464 LBTYBDMWMANGQU-UHFFFAOYSA-N 360.373 3.477 0 1 FGAF C[C@H]1CC[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)[C@@H]1C 101678103 GOKWVLYEOGXUSX-ZENOOKHLSA-N 362.857 3.498 0 1 FGAF C[C@@H]1C(=O)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CCC2)[C@@H](C4)[C@H]3[C@H]1C 29233407 HWXCULOUOMXWMG-UOENLRBGSA-N 367.489 3.293 0 1 FGAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356304698 AZOYDRNSZTYOAJ-HUUCEWRRSA-N 372.469 3.020 0 1 FGAF CC[C@@H](c1ccccn1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 29040500 QAIUYSBGZBVEPC-QMMMGPOBSA-N 350.205 3.460 0 1 FGAF C[C@@H]1O[C@H](OCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@@H]1O 2356515170 DEQPIGLSNWHDFR-BMFAXAFESA-N 358.475 3.011 0 1 FGAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@@H]24 2356528975 OJPKTXCBMCNJHG-LEDSTXDGSA-N 374.440 3.093 0 1 FGAF C[C@H](CNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)c1ccccc1 33061157 MPVJIOSUTWSNQS-CYBMUJFWSA-N 366.446 3.324 0 1 FGAF CN1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C(N)=O)C1 33677267 OUJGISPKCJPZKJ-UHFFFAOYSA-N 365.458 3.240 0 1 FGAF CCCn1cnc2c(NCCc3ccccc3)nc(N[C@H](CC)CO)nc21 95562361 OLSPDWKXGBVJIO-MRXNPFEDSA-N 368.485 3.074 0 1 FGAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(OC)cc1O2 238750529 VPFBSYXAIIOBKV-UHFFFAOYSA-N 358.346 3.438 0 1 FGAF COc1cccc(NC(=O)/C=C/c2coc3cc(OC)ccc3c2=O)c1 95592736 QMEYCEAXSMMHRC-RMKNXTFCSA-N 351.358 3.462 0 1 FGAF Fc1ccc(/C=C2\CNC[C@@H]3[C@@H]2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 261117900 JBCXXGLQQIFZNP-GNKHWHRNSA-N 371.456 3.155 0 1 FGAF CC(=O)Oc1ccccc1[C@@H]1CC(C)=NN1C(=O)CN1CCCC[C@@H]1C 653735416 ABQIAKCWWIJKJZ-YJBOKZPZSA-N 357.454 3.136 0 1 FGAF CC(C)[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582374 PAEDLVUHCHQTIN-XLIONFOSSA-N 365.389 3.040 0 1 FGAF CCN1C(=O)C[C@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759990 NKKVABKDAURQIJ-BTDLBPIBSA-N 367.262 3.474 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587043056 PBXOPBOMGSNUEF-ZDUSSCGKSA-N 361.467 3.344 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587806007 IHLHPXOFRPTRQH-YNHOBRIKSA-N 356.235 3.291 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1 586984726 IIKQLRMBLOIHKZ-AWEZNQCLSA-N 374.238 3.451 0 1 FGAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 587787970 YKTBXPXULSBNSL-JJRVBVJISA-N 350.378 3.230 0 1 FGAF O=C(O)c1cccnc1SCc1nc2cc3c(cc2[nH]1)OCCCO3 586968984 RRCLXDDOASMPKL-UHFFFAOYSA-N 357.391 3.110 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2N)N1 587748568 XSBIFLITMGCSMW-JDNHERCYSA-N 350.235 3.363 0 1 FGAF Clc1ccc(I)cc1-c1nc2cncnc2[nH]1 587182677 NRUJLQLEAFIHAL-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)cc12 3045442 VOVBXRAUSKJEFJ-HZMBPMFUSA-N 351.424 3.296 0 1 FGAF CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)nc1C 13794980 RXHRJWRPKHOYIX-UHFFFAOYSA-N 353.474 3.466 0 1 FGAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13CC(=O)O[C@](C)(C1)[C@H](O)C[C@@H]23 169666523 PPNHZUAXOYQWHY-WQMQNYNQSA-N 350.455 3.140 0 1 FGAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(I)cc2)C1=O 169717838 LBJDWODOCSABNK-AMIZOPFISA-N 360.216 3.071 0 1 FGAF Cc1cccc(C2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)C2)c1 1857752323 MRJOVZJZXDYQFT-GOSISDBHSA-N 362.351 3.425 0 1 FGAF CCCCC[C@H](O)[C@@H](O)C=C[C@H](O)CC=CCC=CCCCC(=O)O 2356342674 YCFPVUKKIWMCJK-QYZOEREBSA-N 354.487 3.353 0 1 FGAF CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 6895508 QUUYHOAXAKFNLD-NRFANRHFSA-N 370.268 3.490 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)[C@@H]2CC[C@H]1CCOC1=O 26579408 VYGRJLSEKZYMAS-PQWXKCTQSA-N 350.455 3.295 0 1 FGAF COc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1OC 101444660 FDPJUCRBSXQXFO-IAGOWNOFSA-N 370.449 3.222 0 1 FGAF c1cc(OCC2CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 117655472 CAZNIOSROXHNKZ-UHFFFAOYSA-N 359.433 3.323 0 1 FGAF CCc1cc(-c2ccc(F)c(Cl)c2)ccc1NC(=O)C[C@H](N)C(=O)O 28528915 FAAZYFWXJOLYDB-HNNXBMFYSA-N 364.804 3.449 0 1 FGAF CCCCCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCCC(=O)O 2356708509 RZCPXIZGLPAGEV-QTMHVTGLSA-N 354.487 3.043 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](OC(C)=O)CC[C@@H]3CN1CC2 28767034 LRVXUKDIAQCJTC-NTDBWNAOSA-N 359.466 3.355 0 1 FGAF COc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1O 45190909 BPHUMAUSBOVDPO-UHFFFAOYSA-N 370.430 3.116 0 1 FGAF Cc1cnc(N(C)CCN(C)C)nc1NCc1cccc(C(F)(F)F)c1 82202804 GORIWZNYPOKSIK-UHFFFAOYSA-N 367.419 3.414 0 1 FGAF CCO[C@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@H]1O 238744334 WFWVEYQUMRMWGD-WAQMSGSHSA-N 364.397 3.014 0 1 FGAF COC(=O)c1cc(C(=O)OC)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143478456 IBJLANFIRCABPH-KRWDZBQOSA-N 366.291 3.038 0 1 FGAF COc1cc(C(=O)c2nc(-c3ccccc3)cn2C)cc(OC)c1OC 95585496 QSEVNXDLGXBJAN-UHFFFAOYSA-N 352.390 3.344 0 1 FGAF COc1ccc2c(c1)[C@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 473090969 BIGIDTIIOSUEPZ-NRFANRHFSA-N 374.525 3.062 0 1 FGAF CC(C)[C@H]1c2cc(F)ccc2CCN1C(=O)CNCC1(O)CCCCC1 473110327 VKCGDFUTOWVQOY-FQEVSTJZSA-N 362.489 3.192 0 1 FGAF C[C@]1([C@@]2(Cl)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541868 GKQUQEQMEDZIQI-MDASCCDHSA-N 374.776 3.037 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncncc32)N1 587777272 GLWOJSZAZFQKDZ-BMLIUANNSA-N 362.246 3.492 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCC(=O)O)cc1)O2 587399318 IECVEIWDWNNWTG-FQEVSTJZSA-N 355.390 3.311 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)Cc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587452272 KIAFXNUVJOGQQU-XTNUZHGASA-N 352.386 3.419 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 586950197 RNKABEZFOVFSPQ-UHFFFAOYSA-N 371.249 3.227 0 1 FGAF CCOC(=O)Cc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439497 BBSAUIQXJJBRDT-VGOFRKELSA-N 366.413 3.464 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)N1CCCC1 587870055 UFPWIEVRXXEGEI-NSHDSACASA-N 368.359 3.097 0 1 FGAF CC[C@@H]1OCCC[C@H]1c1nc2cc(I)cnc2[nH]1 586913771 SKHDVSJNZPFYBU-KOLCDFICSA-N 357.195 3.235 0 1 FGAF CC1=CC2(C=C(C)O1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962671144 RYSHXEVMMGDBJB-OAQYLSRUSA-N 350.418 3.367 0 1 FGAF CN1CCc2c(Br)cccc2[C@@]1(CS(C)(=O)=O)C(C)(C)C 963278566 BRYZIXXBKWXEKO-INIZCTEOSA-N 374.344 3.223 0 1 FGAF CCC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2 13439749 XSCLLXQHZKNMDH-NHIYQJMISA-N 369.246 3.494 0 1 FGAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C(C)(C)O)C=C/C=C/3CO 169295529 BPZFTYYQDTYXJB-PPTLWCLCSA-N 368.473 3.476 0 1 FGAF CC[C@H]1CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 169729825 DAKJLAJXDRCJER-BBRMVZONSA-N 362.857 3.363 0 1 FGAF CC[C@@H](O)c1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 209357305 KTGCPVPSDFKDMQ-BXUZGUMPSA-N 369.425 3.293 0 1 FGAF CCC(=O)c1ccc(OCCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857599693 LBOSCZWBRKMXDH-OAQYLSRUSA-N 360.498 3.192 0 1 FGAF C[C@@H](SC(=S)N1CCOCC1)c1cc2oc(=O)n(C)c2cc1Cl 1851245 XPXWUJKAOQFDEU-SECBINFHSA-N 372.899 3.196 0 1 FGAF C[C@@H]1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1 3050751 RRVSPDDSBFXOAM-CQSZACIVSA-N 352.438 3.228 0 3 FGAF C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 58563903 BIZMIUGITFUEIN-TXGDUEDDSA-N 353.462 3.047 0 1 FGAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CC1 59285498 VKERDTZIJNXHEW-UHFFFAOYSA-N 360.763 3.053 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC 2356666372 WGCXTGBZBFBQPP-HLNWXESRSA-N 366.498 3.340 0 1 FGAF O=C(NCc1ncco1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 219747707 YTZWRXVLZDPRBK-UHFFFAOYSA-N 352.329 3.074 0 1 FGAF CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\CCCC(=O)O 38792091 WPLPEZUSILBTGP-WHKAPZRYSA-N 354.487 3.353 0 1 FGAF in-man CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccncc2)NC(=S)N1 45284527 AGKXSKORYXFWEV-OAHLLOKOSA-N 358.854 3.167 0 1 FGAF Cn1c(CN2C[C@@H]3C(COc4cccc(Cl)c4)[C@@H]3C2)nc2ncccc21 40937258 GOWBAICYKZUMDP-SJPCQFCGSA-N 368.868 3.379 0 1 FGAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)cs1 82072834 RKJAHFQWRWYHHG-MRXNPFEDSA-N 361.511 3.317 0 1 FGAF COC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(OC)CC2)cc1 43015046 PHXOHFAKIXADEA-SFHVURJKSA-N 355.500 3.148 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3)[C@H]2C1 199267426 OEONDOIAFNFGGC-APWZRJJASA-N 364.445 3.072 0 3 FGAF CC(=O)NCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144808355 LUAILNHIHDHERW-GOSISDBHSA-N 365.351 3.370 0 1 FGAF CN(C)c1ncccc1-c1nc2c(I)cccc2[nH]1 587196196 SHHPNRLNBOQALL-UHFFFAOYSA-N 364.190 3.296 0 1 FGAF Nc1ncc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551953 LOMPJDYXSYUTBM-GUYCJALGSA-N 369.764 3.121 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1[C@H](O)C(=O)O)CC2=O 587475852 AVROIPLONGXNDR-RXVVDRJESA-N 370.401 3.343 0 1 FGAF COC(=O)C1=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587809445 RLZKBWRBXXZVLP-JDNHERCYSA-N 354.219 3.211 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cnn(CC)c1)CC2=O 587474121 BKVLMPJBTSIJRR-RQWLHQTBSA-N 369.465 3.497 0 1 FGAF CCOC(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403185 KPYZKTMBRHVGAK-NRFANRHFSA-N 369.417 3.400 0 1 FGAF CC[C@]1(c2ncnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345136 YLJXOPOKROPIBT-PXNSSMCTSA-N 367.380 3.324 0 1 FGAF Cc1ccc(C)c2c1OCC[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230992 RJCWYMYPIAKKNO-WMZHIEFXSA-N 374.440 3.477 0 1 FGAF Cc1cccc2c1[C@H](c1cnon1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862838 HVYPXTNPUUZCSP-DYVFJYSZSA-N 373.409 3.104 0 1 FGAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccc(Cl)cc1)N1CCCC[C@@H]13 1772649075 QPIDEIFSMYZPIP-BIJSTVTOSA-N 357.837 3.162 0 1 FGAF COCc1nc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc2[nH]nc(OC)c12 1772647349 ATXSOROIRLMALZ-SNVBAGLBSA-N 373.388 3.135 0 1 FGAF CCN1c2ncc(CCc3ccccn3)cc2C(=O)N(C)c2cccnc21 5842319 KTGXCGWBRPNPJN-UHFFFAOYSA-N 359.433 3.405 0 1 FGAF CCN(CC)C(=O)c1ccc2c(c1)N(C)C(=O)c1cccnc1N2CC 5842770 ULGJRFORTDIWQR-UHFFFAOYSA-N 352.438 3.312 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccncc1 11719587 PLNLYYXVWJWNGO-QGZVFWFLSA-N 354.360 3.353 0 3 FGAF Cc1cc(OCc2cc(C(=O)NCC3(C)COC3)no2)cc(C)c1Cl 12714235 RALFCRCKZBPXCI-UHFFFAOYSA-N 364.829 3.290 0 3 FGAF O=C(O)Cc1ccc2c(c1)[C@H]1C[C@@H](O)[C@H](/C=C\[C@@H](O)C3CCCCC3)[C@H]1C2 13899153 UFLHQIYXNNHGIX-HUOWPFQLSA-N 370.489 3.448 0 1 FGAF COc1ccc(-c2oc3cc4c(c(O)c3c2C=O)OCO4)c(OC)c1O 14821286 KOXGEVMVKXGNSJ-UHFFFAOYSA-N 358.302 3.069 0 1 FGAF biogenic,in-vitro CCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1 4239074 ABHJUZQJWKCQDG-UHFFFAOYSA-N 369.475 3.457 0 1 FGAF Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccccc3)N2S(C)(=O)=O)cc1 1857535612 WOLHOVUVEURKIG-OALUTQOASA-N 371.458 3.454 0 1 FGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 2952701 AXMHGSBHRYWPLA-DYVFJYSZSA-N 369.465 3.113 0 1 FGAF O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc(F)c(Cl)c1 3284762 WCUYRIYFWIBAIB-QWRGUYRKSA-N 367.804 3.356 0 1 FGAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCO 4212850 BYUGBUMUARIWMO-MOPGFXCFSA-N 362.470 3.208 0 1 FGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2)C[C@@H]2C[C@H]21 101256366 LJYCJSCLNVIZHK-DYGACMPKSA-N 363.479 3.191 0 1 FGAF COc1ccc(F)cc1-c1nc([C@@H]2SC[C@@H](C(=O)O)N2C)cs1 103234766 RRPYRDYWZWYKBF-FZMZJTMJSA-N 354.428 3.088 0 1 FGAF C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@@H](O)CC(=O)O)C=CN21 103573544 ZLNYRERDDPYJNH-ZWJWXYIHSA-N 353.503 3.300 0 1 FGAF biogenic,in-vitro CSc1nsc2nc(=O)c(/C=C3\C(C)=Nc4ccccc43)c(N)n12 100475282 VIWGVAUPTGBNDC-JXMROGBWSA-N 355.448 3.102 0 3 FGAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 28703180 LNQJEDRWNGCZCV-OAQYLSRUSA-N 365.477 3.121 0 1 FGAF O[C@@H](c1cccc(Cl)c1)[C@@](O)(Cn1cncn1)c1cccc(Cl)c1 26008780 CPVMOXCTWBWUSP-DLBZAZTESA-N 364.232 3.206 0 1 FGAF CC(=CCc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 2356762393 WTAGIHGECXTWAX-BTYIYWSLSA-N 368.385 3.212 0 1 FGAF COc1ccc(NC(=O)NC[C@@H]2COCc3nc4cc(C)ccc4n32)cc1 2356765046 JWRUVTSDNPXNAI-OAHLLOKOSA-N 366.421 3.246 0 1 FGAF COC(=O)C1=C[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2[C@H](C)O1 2356770531 ZLQMRLSBXKQKMG-HINSOXJESA-N 352.434 3.179 0 1 FGAF O=c1[nH]c(C[C@@H](c2ccccc2)N2CCOCC2)nc2ccc(Cl)cc12 29414433 DLZGUXAJVHFVFN-SFHVURJKSA-N 369.852 3.193 0 1 FGAF Oc1ncc(I)c2nc(-c3cccc(Cl)c3)cn12 63298483 UPPYTUNUGKDPSA-UHFFFAOYSA-N 371.565 3.360 0 1 FGAF CO[C@@H]1Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2C(C)(C)[C@H]1O 13459661 VOVTXFRZQXJNOQ-VQTJNVASSA-N 368.385 3.169 0 1 FGAF biogenic OCCNc1cc(C(F)(F)F)nc(-c2ccc(Br)cc2)n1 73312308 BLKOQPKPFDHTLU-UHFFFAOYSA-N 362.149 3.329 0 1 FGAF COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@H]2O 137020083 NTUILXJVELUSRZ-XHYAQGIWSA-N 374.477 3.213 0 1 FGAF CN(C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c(N)ncnc21 40408611 MUIFSXZDNITPGB-UHFFFAOYSA-N 373.460 3.479 0 1 FGAF CCOc1ccc(Nc2c(C)c(O[C@@H]3CCCNC3)nc3ccnn23)cc1 45298679 OASNHBNYZIVENG-QGZVFWFLSA-N 367.453 3.311 0 1 FGAF O=C(N[C@H]1CCC[C@@H](NC(=O)c2ccccn2)C1)c1cccc(Cl)c1 95589663 WMKYZRPEGSISJA-JKSUJKDBSA-N 357.841 3.206 0 1 FGAF O=C1C[C@](c2cccc(Cl)c2)(C(O)O)Oc2c1ccc1c2CCCC1 587504441 WKWWXUCOYUAPMD-FQEVSTJZSA-N 358.821 3.390 0 1 FGAF CN(C)CCOc1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167521 TWIYENYZUSHEIX-MDZDMXLPSA-N 368.412 3.294 0 1 FGAF CCCCOc1cc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br 587235296 MYNKIDAGIIDOJD-NXEZZACHSA-N 366.259 3.354 0 1 FGAF COc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccnc1Br 587372468 LRXCIVCHLFDCNJ-CYBMUJFWSA-N 363.211 3.450 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586947781 FPAOBDVZCXZRML-UHFFFAOYSA-N 350.831 3.428 0 1 FGAF CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441793 MUIPHBMFUAWNMW-IIBYNOLFSA-N 352.386 3.210 0 1 FGAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)s1 587014712 OZEGQMBFVJXITA-SNVBAGLBSA-N 365.480 3.496 0 1 FGAF COC(=O)c1ccc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cc1F 963054411 ISAMKGUZXGFTRM-IBGZPJMESA-N 366.392 3.404 0 1 FGAF Cc1cccc2c(=O)n(-c3ccccc3I)cnc12 1857560593 VHQSEBFPZDITJL-UHFFFAOYSA-N 362.170 3.299 0 1 FGAF NS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2)OCO3)cc1 12352411 FVTGEGACMCKYGO-UHFFFAOYSA-N 367.426 3.321 0 1 FGAF Cc1ncoc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12703941 JGPAJNZGUJDMQP-HNNXBMFYSA-N 373.428 3.071 0 3 FGAF O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccccc3)ccc12 13677037 WZUWDKBMBHSVAZ-UHFFFAOYSA-N 367.401 3.087 0 1 FGAF in-vivo CCc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)cc1 13686814 GDCCJCUYGCRZKU-UHFFFAOYSA-N 373.478 3.357 0 1 FGAF COc1ccccc1[C@@H]1N(c2ccccc2S(C)(=O)=O)C(=O)C1(C)C 169324189 JERXWVLFQNTDNF-KRWDZBQOSA-N 359.447 3.213 0 1 FGAF COC(=O)[C@@]12C[C@H](C)[C@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 169352799 CTAGORHSTSPKPD-PEJPHJESSA-N 367.367 3.433 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2nccc(NCc3ccccc3)n2)c1 4257435 BBFZLOWFPMPSPQ-UHFFFAOYSA-N 354.435 3.127 0 1 FGAF Cc1c(-c2cncc(-c3ccc(C(N)=O)c(OC(C)C)c3)c2)cnn1C 1857541996 DFAUAZYINZOIAU-UHFFFAOYSA-N 350.422 3.344 0 1 FGAF COc1ncc(-c2ccc(CNC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)s2)cn1 1857775372 ZHMOEPKEXGWEEU-RCRDTURJSA-N 371.506 3.387 0 1 FGAF CNC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1 1625556 KMVBZDDRSWCFSM-MHWRWJLKSA-N 357.406 3.008 0 1 FGAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCO 4212789 MFLZKAQZBGEHEE-RBUKOAKNSA-N 362.470 3.208 0 1 FGAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1=O 8680066 GXQWAGOOFFWKKB-IBGZPJMESA-N 374.525 3.066 0 3 FGAF CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)cccc12 59097706 MSWPEYZUFYWBQH-UHFFFAOYSA-N 351.385 3.054 0 1 FGAF Cc1cc(/C=C(/C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])oc1C 59085616 FKUKCLFWPRHOSX-NVNXTCNLSA-N 360.801 3.477 0 1 FGAF CN(Cc1nc2ccccc2n1CC1CNC1)[C@H]1CCCc2cccnc21 34821218 HFNDUSMDFMWDEG-FQEVSTJZSA-N 361.493 3.160 0 1 FGAF COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 71316907 JWDZDXFXHWMSGR-QGZVFWFLSA-N 363.461 3.090 0 1 FGAF COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085576 GREUIYUVSWWIGK-QGZVFWFLSA-N 350.374 3.272 0 1 FGAF COCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82145371 NCTAAOSBEGPUFE-UHFFFAOYSA-N 356.470 3.238 0 1 FGAF C[C@H](COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)O[N+](=O)[O-] 40976574 WGTJLXQITFRCTR-ZIAGYGMSSA-N 357.362 3.161 0 1 FGAF COc1cccc([C@H](c2cc3c4c(c2)CCN4C(=O)CC3)n2ccnc2)c1 95553574 QWICOJSARXCURX-OAQYLSRUSA-N 359.429 3.365 0 1 FGAF CN(C)C(=O)CCN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccc(O)cc12 299847207 YXTYJMSHJQVRSR-XXBNENTESA-N 364.489 3.177 0 1 FGAF O=C(O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12 299833940 PMDMFBXAOGSHBR-UHFFFAOYSA-N 369.768 3.348 0 1 FGAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3nccnc3C2=O)c(Cl)c1 653747382 AUZWVLIWYTXJPL-UHFFFAOYSA-N 368.780 3.444 0 1 FGAF COCn1ncc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582061 NLOQNDPZBXUZPZ-UZLBHIALSA-N 366.373 3.204 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C(=O)O)c4[nH]1)(C3)C2 587949736 AEGHYDOPAVQQRU-BRRVFRNMSA-N 354.406 3.415 0 1 FGAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccn2n1 587660495 FXFJPCVXVMANFI-UHFFFAOYSA-N 357.348 3.235 0 1 FGAF CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587955843 QWMXHSNVOZNMCV-UHFFFAOYSA-N 355.188 3.067 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)no2)N1 587798339 UWUDREPKRGAEFC-NZFNHWASSA-N 369.190 3.072 0 1 FGAF Cc1ccc(-n2cnnc2SCc2nc3cncnc3[nH]2)cc1Cl 586968864 XCFXTGYRLVQVBD-UHFFFAOYSA-N 357.830 3.188 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587432296 KIOKAKXZPQTICV-TVSHIAKJSA-N 359.422 3.259 0 1 FGAF CS(=O)(=O)c1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876692 WAARWWHJXDUXSU-UHFFFAOYSA-N 358.350 2.887 0 1 FGAF CC(=O)N1CCC[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766680 HIIYWQQTSPSVBP-APPDUMDISA-N 369.278 3.350 0 1 FGAF CCc1ncc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)s1 962966879 AZYBVNDJBDYFIE-OTYXRUKQSA-N 358.797 3.325 0 1 FGAF CC(C)Cc1cc(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)no1 11874334 KCGASSZREJGHLR-OAQYLSRUSA-N 374.456 3.470 0 3 FGAF COc1ccc(OC)c(S(=O)(=O)Oc2ccc(N)c3ccccc23)c1 15952487 UYKFWZPYYJPRPH-UHFFFAOYSA-N 359.403 3.207 0 3 FGAF Oc1ccc(-c2nc3c[nH]ccn-3/c2=N\c2ccc3c(c2)OCCO3)cc1 169689797 GREHSFCUYFBQPL-XDOYNYLZSA-N 360.373 3.014 0 1 FGAF CCOCCCNC(=O)c1csc(=Nc2ccc(Cl)c(F)c2)[nH]1 1857608582 WMGKJIHEMJQGPS-UHFFFAOYSA-N 357.838 3.258 0 1 FGAF Fc1ccc(/C=C2\CNC[C@@H]3[C@@H](c4ccc(F)cc4)NC(=S)N[C@@H]23)cc1 103231040 JBCXXGLQQIFZNP-YYIDZPINSA-N 371.456 3.155 0 1 FGAF O[C@@H](c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26010406 CSFMHUPEOLNPQD-DLBZAZTESA-N 364.232 3.206 0 1 FGAF O=C(Nc1cc(Cl)ccc1OCCCO)c1csc2cncnc12 113652058 FUTPDCONNRYGSV-UHFFFAOYSA-N 363.826 3.358 0 1 FGAF COc1ccc(-c2c(N)noc2-c2cc(OC)c3c(c2)OCCO3)cc1 103265706 XSKZNHPFLZNNHA-UHFFFAOYSA-N 354.362 3.379 0 1 FGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(COc1ccccc1)[C@@H](C)N2 100871265 QXDMAKQNLXKJQD-LLVKDONJSA-N 355.398 3.198 0 1 FGAF CC(=O)NCc1ccc(CCCN2CCN(c3ccccc3)CC2)cc1 28004325 IDKNCZBMJQJSCU-UHFFFAOYSA-N 351.494 3.078 0 1 FGAF CN(Cc1ccoc1)Cc1cccc(-c2nc([C@@H]3CCOC3)cc(=O)[nH]2)c1 23399036 DAIWBDUTRPEDOR-GOSISDBHSA-N 365.433 3.166 0 1 FGAF C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 36388077 UJFYUCPWQYVCNR-GJZGRUSLSA-N 362.433 3.392 0 3 FGAF C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 66258850 CFQZFXWCFBDZIK-WFASDCNBSA-N 355.467 3.006 0 1 FGAF C/C=C(/CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 84154710 FRUFGLJBMBUARK-JXSBNBLESA-N 352.434 3.083 0 1 FGAF biogenic,in-vitro COc1ccc(NC(=S)OCCN2C(=O)c3ccc(C)cc3C2=O)cc1 40897364 OGWYAIDOQABVRE-UHFFFAOYSA-N 370.430 3.013 0 1 FGAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1 149857072 PHRRPQIIQQIXRI-AWEZNQCLSA-N 352.221 3.302 0 1 FGAF CCCCn1nnnc1[C@]1(C)CCC(=O)N1CCc1c[nH]c2ccccc12 95601259 IQICNIOVSLGMPX-FQEVSTJZSA-N 366.469 3.035 0 3 FGAF O=C(/C=C/c1coc2cc(O)ccc2c1=O)NCCc1ccc(F)cc1 95589592 XFKWQVUJUWJHJL-FPYGCLRLSA-N 353.349 3.010 0 1 FGAF CN1N=C[C@@H]2C(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)=CC=C[C@H]21 299835444 WAIPIFZBMQMMTA-DJIMGWMZSA-N 370.428 3.097 0 1 FGAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(Cl)nc2[nH]1 587223794 GEWRSNYYAYYUSO-VIFPVBQESA-N 365.220 3.348 0 1 FGAF Nc1cc(F)c(-c2nc3ccc(I)cc3[nH]2)cc1N 587137002 OGJXEESRZUNTBB-UHFFFAOYSA-N 368.153 3.138 0 1 FGAF C[C@]1([C@@]2(F)CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337935 WIVIEWXHHPFSRB-FFZOFVMBSA-N 374.339 3.304 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587231833 RGTOYAUEIZTDQE-NWDGAFQWSA-N 370.375 3.013 0 1 FGAF Cc1ccnn1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582582 QAQAMTOFMMWTOC-XLIONFOSSA-N 350.374 3.318 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCO)cc1)CC2=O 587469333 NKXPTPVHJSICFV-FQEVSTJZSA-N 355.434 3.480 0 1 FGAF COCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587760254 OKNQHBKYEKYECH-HWPZZCPQSA-N 368.250 3.055 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c[nH]nc32)N1 587793022 JGBMOZUOVMPRGZ-ABKXIKBNSA-N 350.235 3.425 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O 587421619 QJHVAIAPXDTVRF-FVMDXXJSSA-N 351.189 3.455 0 1 FGAF CC(=O)N1CCc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587400609 QVCYDAADNFJGRW-NRFANRHFSA-N 350.418 3.367 0 1 FGAF FC(F)(F)c1cccnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587107422 AIZJSRIVRWVNOA-UHFFFAOYSA-N 362.355 3.476 0 1 FGAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)no1 587657109 VICJHUCQWCOMNA-UHFFFAOYSA-N 367.311 3.327 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OC)ccc21 587483843 MNGROGYLFZGRGT-HXUWFJFHSA-N 353.374 3.166 0 1 FGAF CCN1CCN(c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587398083 DZTKCYWVVVRIFZ-NRFANRHFSA-N 365.477 3.426 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cc(F)c(N)c(F)c3F)c3cccc1c32 963022911 HWJONLYMTCEAHL-HOGDKLEQSA-N 361.367 3.003 0 1 FGAF c1nc2ccc(-n3cnc4cnc5cnc(-c6cn[nH]c6)cc5c43)cc2[nH]1 1772632506 KTWDMLLGYHAUNG-UHFFFAOYSA-N 352.361 3.235 0 1 FGAF c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCCO4)CC1)C2 13743705 KYHNIRCDHUTJHD-UHFFFAOYSA-N 350.462 3.137 0 1 FGAF C[C@@H](O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 14976864 WTZWWGVPJSFBKK-GFCCVEGCSA-N 359.369 3.498 0 1 FGAF COc1ccc(-n2nc(SC)c3ccc(N4CCNCC4)cc32)cc1 169706036 ZUYXSAJXSRKROC-UHFFFAOYSA-N 354.479 3.166 0 1 FGAF CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356305905 RVIBRRLLRXBQMT-JKSUJKDBSA-N 371.481 3.481 0 1 FGAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4043198 LAQDNFNEXRJMRQ-MJGOQNOKSA-N 355.438 3.354 0 1 FGAF Cc1ccc(/N=C(\S)[C@H]2C(=O)c3sccc3N(C)S2(=O)=O)cc1 8681118 BVEPPESNAYNWJI-CQSZACIVSA-N 366.489 3.047 0 1 FGAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C(=O)C1(C)C 27846846 GNKOJRAAJLDGQP-MEAGQHFOSA-N 355.478 3.206 0 1 FGAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1 26834997 JCAVKIVDIGTBDW-UHFFFAOYSA-N 360.357 3.337 0 1 FGAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3cccc4ccccc34)[C@H](C)[C@H]12 26502202 JNMATQDIJCVUGN-HOJOPBEUSA-N 369.442 3.086 0 1 FGAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](F)[C@@H]2F)c(O)nc1=S 29397256 VGHNMFKDHUBHJR-HGTKMLMNSA-N 368.405 3.417 0 1 FGAF CC1(C)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 27846716 BSFJQDAYVBKHBC-AUKWGBGVSA-N 353.462 3.047 0 1 FGAF Cc1cnnc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 28398288 ZTLCIIHBZDCHAE-UHFFFAOYSA-N 353.470 3.437 0 1 FGAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N1 20028868 VJTHZKHVLAMBLL-LJQANCHMSA-N 370.424 3.493 0 1 FGAF C[C@@H]1[C@H](O[C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)OC(=O)[C@@H]2[C@H](C)CC[C@H]12 2356698696 KLFPATKRXRCHCY-BYPZJPHMSA-N 350.455 3.366 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1cn(C)c2ccccc12 2356747974 KRDCDOUSVMJXDZ-XLIONFOSSA-N 353.510 3.444 0 1 FGAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@H](O)[C@H]3CO 35942132 MBMYOYXKUOEHJW-BEDDSUPNSA-N 350.499 3.453 0 1 FGAF N#Cc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3S2(=O)=O)cc1C(F)(F)F 142587970 IWCSBQHXPCTZJT-FMRSBHEDSA-N 356.369 3.142 0 1 FGAF C/C(=C/Cc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO 238776754 WTAGIHGECXTWAX-QGVCPKQPSA-N 368.385 3.212 0 1 FGAF CCCN1CCN(c2nc(CCN(C)Cc3ccccc3)cs2)CC1 98084905 BYAOTPBGPNHFLX-UHFFFAOYSA-N 358.555 3.350 0 1 FGAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@@](C)(CC[C@@]2(O)C(C)C)C[C@H]1O 238770643 JYELHVZHUTYKGP-BZEYQNPTSA-N 374.477 3.432 0 1 FGAF CC(=O)N[C@H]1CC[C@H](c2[nH]ncc2-c2ccnc(NC3CCCC3)n2)CC1 261154831 PRFQGCBPEYPZAY-KOMQPUFPSA-N 368.485 3.384 0 1 FGAF COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(C#N)c3)n2)cn1 35425830 MZVIIPRUKIGPCA-KRWDZBQOSA-N 361.405 3.349 0 1 FGAF biogenic C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CC(=O)O 40165397 VUDYWBBYQWVFAG-QGABBXNOSA-N 374.477 3.149 0 1 FGAF biogenic C=CC(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)cc1 587244753 TYUQLVCDUUVVTC-UHFFFAOYSA-N 355.419 3.148 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(N)=S)c1)[C@@H](C2)C3=O 587450996 HPWUUSJINXLLFF-IFXJQAMLSA-N 354.431 3.014 0 1 FGAF C[C@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)n1cccn1 587923751 KXYJCJPGRZCJOV-GFCCVEGCSA-N 362.480 3.182 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc(C(F)(F)F)ccc1=O)O2 587382220 KNLJIYUTGCHVNC-QGZVFWFLSA-N 366.339 3.182 0 1 FGAF Cc1cc(C)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 587133845 CYNYTDZVLYNWOC-UHFFFAOYSA-N 369.368 3.076 0 1 FGAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(S)nc(S)nc3[nH]2)s1 587014889 SPRAPQUZJOHYMS-LURJTMIESA-N 353.498 3.460 0 1 FGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(C3CC3)nc1)(C1CC1)NCC2 962920664 CJHRSKJHLVGCEH-HSZRJFAPSA-N 361.489 3.460 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962718112 RKCCRZUBFBGONC-OXQOHEQNSA-N 362.514 3.417 0 1 FGAF CCCCNC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O 5782091 GVIGEECDJRRACI-UHFFFAOYSA-N 352.463 3.282 0 1 FGAF Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2csnn2)cc1C 12073487 NYSCKOCHJRPZDH-OAHLLOKOSA-N 353.451 3.148 0 3 FGAF CN(CC[C@H]1CCCCO1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 12761771 HXHWXWUNAKFCCM-GOSISDBHSA-N 371.481 3.249 0 3 FGAF CC(=O)O[C@H](/C=C/c1ccccc1)C[C@H](O)C/C=C/[C@@H]1CC=CC(=O)O1 13411251 BEDZJNMPIDRDAK-IPUJKQNUSA-N 356.418 3.201 0 1 FGAF COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(CO)C1 13745005 JDQDGTOBHTWISP-JXFKEZNVSA-N 363.454 3.181 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc(O)c2c1OC(C)(C)[C@@H](O)C2 1857609254 JOHYUZMLQPSYER-KRWDZBQOSA-N 356.418 3.038 0 1 FGAF CCC(=O)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCCCC2)c1 1857613861 HYXBTHNPTWQYJV-UHFFFAOYSA-N 364.389 3.229 0 1 FGAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c1)C1CNC1 1857630157 JDRYYANQLGXJRZ-UHFFFAOYSA-N 357.417 3.040 0 1 FGAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2coc3ccccc23)C(=O)O1 1857748587 PKUWFMAWUYFHHA-LOJRPPCJSA-N 358.390 3.084 0 1 FGAF COc1cc(/C=C/C(=O)N2CCC/C(=C\C(C)C)C2=O)cc(OC)c1OC 1857766770 ZBPIJKNWTXVSJU-CEKJNPHKSA-N 373.449 3.457 0 1 FGAF Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc2c(C)n1 146590666 XEWLVRQNCSDGCW-UHFFFAOYSA-N 374.444 3.134 0 1 FGAF Cc1ccc2nc(C[C@H]3CN(C(=O)CC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356309409 DWHILOQSYMCGFS-CVEARBPZSA-N 371.481 3.399 0 1 FGAF O=c1[nH][nH]c2nc(CN3CCC(Cc4ccccc4)CC3)nc3cccc1c32 59298631 SUUKGPURQJLAAU-UHFFFAOYSA-N 373.460 3.254 0 1 FGAF N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1c(Cl)cc(Cl)cc1-2)C(=O)O 28528149 UJOVSQYLMTYASM-HNNXBMFYSA-N 365.216 3.305 0 1 FGAF CN1CC[C@]2(c3cccc(O)c3)C[C@H](NC(=O)c3ccccc3)C[C@H]1C2 29324266 WDPFEPSDGHQGPI-DXIQSLLYSA-N 350.462 3.317 0 1 FGAF Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 103193661 QPWIBTJRAUDOBO-OAHLLOKOSA-N 362.389 3.037 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1 101682900 TVLSXEPGCCBBSS-TXEJJXNPSA-N 356.430 3.316 0 1 FGAF COc1cc(C(=O)c2[nH]c3c(OC)cccc3c2N)cc(OC)c1OC 29136322 AZJITOYZHLRESW-UHFFFAOYSA-N 356.378 3.016 0 1 FGAF COc1cnc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1O2 25970394 KWPUQJQDZLEXBK-GOSISDBHSA-N 358.463 3.351 0 1 FGAF CCNCc1cncc(/C=C/c2c[nH]nc2-c2nc(C(F)(F)F)c[nH]2)c1 28896822 KQMUZJKDXSIZDM-ONEGZZNKSA-N 362.359 3.494 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356680268 BHMBVRSPMRCCGG-MHORFTMASA-N 352.471 3.251 0 1 FGAF CNC[C@H](O)c1ccc(O)c2c1C[C@@H](Cc1cccnc1)CC(C)(C)C2 85510726 FDUJUSPEIBLQCP-IERDGZPVSA-N 354.494 3.414 0 1 FGAF biogenic,in-vitro Cc1nc(-c2ccccn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 143127201 FDEVSPDWRONDMX-UHFFFAOYSA-N 356.433 3.338 0 1 FGAF COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2cc1O)COC3=O 238734559 RFXQCUDAHXPYOF-UHFFFAOYSA-N 366.325 3.326 0 1 FGAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 144336822 GNXOIPSKACRVFE-OAHLLOKOSA-N 367.405 3.441 0 1 FGAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 96904004 LNQJEDRWNGCZCV-NRFANRHFSA-N 365.477 3.121 0 1 FGAF O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1(O)CCCC1 143931060 UGBGCQBSCVYTAK-UHFFFAOYSA-N 358.829 3.338 0 1 FGAF Nc1nn2c(=O)cc(-c3ccc(Cl)cc3F)[nH]c2c1-c1ccccn1 653679917 OCBXMRICEFFCNS-UHFFFAOYSA-N 355.760 3.126 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccn(C)n1)O2 587384333 KALKQAFVVQZOAC-HXUWFJFHSA-N 351.381 3.359 0 1 FGAF CCS(=O)(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 586907763 WQTWASXCXHXHMO-YBEGLDIGSA-N 354.387 3.025 0 1 FGAF CN(C)C(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586912022 BWAQUQIYJHJLDU-UHFFFAOYSA-N 365.433 3.067 0 1 FGAF C[C@]1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175022 VMJVDMAZWXJMLF-CRAIPNDOSA-N 354.341 3.054 0 1 FGAF COC(=O)[C@H](C)[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514744 JPPQYMQHHCIINK-ZSEKCTLFSA-N 366.417 3.025 0 1 FGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C)cc2[nH]1 586964774 DINFCXVZZGPTKR-UHFFFAOYSA-N 367.482 3.328 0 1 FGAF CC(C)(C)OC(=O)NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570935 JYQANBPNQYFEQE-CVEARBPZSA-N 371.389 3.247 0 1 FGAF CC(C)COc1cc2nc(C3(O)CCOCC3)[nH]c2cc1Br 586912667 FQDWRDCTOACVCH-UHFFFAOYSA-N 369.259 3.358 0 1 FGAF CN(C)C(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164787 ADZXKFKFIRLSNG-UHFFFAOYSA-N 363.396 3.316 0 1 FGAF CN(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337293 BIKFRQFESUUSSD-LJQANCHMSA-N 370.424 3.201 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3CCN(CC3)C2)N1 587795543 YEHSATUUTCTLPG-DIFFPNOSSA-N 353.279 3.433 0 1 FGAF COC(=O)/C(=C/N(C)C)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508738 BIOFWYPPLFGQPZ-CHMLTUNVSA-N 369.461 3.298 0 1 FGAF CC1(C)C(=O)OC[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962948472 ACZUCQPJYMTOMK-GOSISDBHSA-N 369.383 3.135 0 1 FGAF COc1ccc2c(c1OC)[C@@]1(C(=O)Nc3cc(F)c(F)cc31)N(C)[C@H](C)C2 962638041 UQWKMHMTWVNGRN-SBKAZYGRSA-N 374.387 3.054 0 1 FGAF COC(=O)c1ccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 219707286 BMADSZCMFILSKD-AWEZNQCLSA-N 365.426 3.224 0 1 FGAF biogenic NCCCC(=O)N1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13743904 QCFYGJJTWBCGJI-QGZVFWFLSA-N 358.869 3.301 0 1 FGAF CNC(=O)c1cc2c(Oc3ccc(-n4cncn4)cc3)cncc2s1 13864417 KKNDDGFARZLBCR-UHFFFAOYSA-N 351.391 3.029 0 1 FGAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166613381 QTRJSPXBUJCYRA-UHFFFAOYSA-N 352.438 3.405 0 1 FGAF Cc1cccc(Cn2cc(COC(=O)NCCc3ccccc3)nn2)c1 203462664 PMBDONPRTJYHNY-UHFFFAOYSA-N 350.422 3.104 0 3 FGAF O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)c3ccco3)CC2)C1 3956282 HGNWCLZEGRNMKI-UHFFFAOYSA-N 357.385 3.189 0 1 FGAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc([C@@H](C)O)c12 209357226 OTCJCIXFMXVGIP-NXEZZACHSA-N 373.388 3.042 0 1 FGAF COC(=O)Nc1nc2ccc(OCc3nnc(SC)o3)cc2s1 1857652839 QRZMPOQXEADTBM-UHFFFAOYSA-N 352.397 3.159 0 1 FGAF C[C@@]12CCC3(OCCO3)C(OC(=O)c3ccccc3)=C1CCC21OCCO1 1620220 KUDQYNTZJCVUEW-LJQANCHMSA-N 372.417 3.178 0 1 FGAF CCN1CCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 4950814 UOSULOUXHUVWNY-ZDUSSCGKSA-N 369.490 3.265 0 1 FGAF O=C1O[C@@H](COc2ccncc2)CN1c1ccc(C2=CCOCC2)c(F)c1 27410397 NMMIGQCSDCNTAA-QGZVFWFLSA-N 370.380 3.429 0 1 FGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)Oc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100645089 RLATZNIHDCUZGM-LMCOJAPRSA-N 365.429 3.300 0 1 FGAF COc1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(OC)c1 27413087 DXYNQZPOUWZUED-UHFFFAOYSA-N 361.707 3.418 0 1 FGAF C/N=c1\c(NC(=O)COc2ccc(Cl)cc2)c(O)oc2ccccc12 102800038 MOTQCVODZMCWAI-SILNSSARSA-N 358.781 3.340 0 1 FGAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cccc(O)c1)c1ccccc1 101644920 HNKCQIBPNBWSJP-ZSXPUABSSA-N 367.445 3.278 0 1 FGAF O=c1[nH]c(N2CC[C@H](N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 28954680 GMELGVOWUOVYSE-IBGZPJMESA-N 372.472 3.291 0 1 FGAF CC(C)NC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61895806 PBEGPZLCAFIBFL-QFIPXVFZSA-N 350.462 3.412 0 3 FGAF CCNC(=O)N(c1ccc(F)cc1)c1ccnc(NC2CCOCC2)n1 34867450 OSXIAKWMTBQNFD-UHFFFAOYSA-N 359.405 3.074 0 1 FGAF CCCCC[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCC(=O)O 71756454 UXVRTOKOJOMENI-BPQPHMIZSA-N 352.471 3.129 0 1 FGAF CC(C)CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15969338 BROGEPORISYSDP-TZIWHRDSSA-N 373.456 3.410 0 1 FGAF biogenic NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3C(=O)O)cc2)cc1 1911572786 QGZJPRBUCCTLKP-UHFFFAOYSA-N 367.426 3.290 0 1 FGAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1 40392025 FGEMHDNXHGCGCE-WLRWDXFRSA-N 371.437 3.120 0 1 FGAF Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCCCC3)nnc12 40847411 XMAKFMYCWNVVQB-UHFFFAOYSA-N 359.433 3.332 0 1 FGAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](O)C(=O)O)CC[C@@H]12 238738005 MBFXNYXLPHWLJQ-VXOVEBTGSA-N 350.499 3.452 0 1 FGAF C[C@]12C[C@@H](c3ccoc3)OC(=O)C1=C(O)C[C@@]13COC(=O)C1=CCC[C@@H]32 238731987 AHNAHYGLOSJRIT-KQEPKPNTSA-N 356.374 3.369 0 1 FGAF CC(C)(O)CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 238787137 WIAKEFSWIGFRRS-KRWDZBQOSA-N 358.390 3.213 0 1 FGAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 617966484 QCEXKTWSRGSXJI-REQDGWNSSA-N 354.815 3.265 0 1 FGAF Cc1cc2c(F)c(Oc3ncnn4cc(OCC(=O)O)c(C)c34)ccc2[nH]1 299853321 IMSSWPIYKUYCCX-UHFFFAOYSA-N 370.340 3.222 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(NC(C)=O)c1)[C@@H](C2)C3=O 587427591 DZVWQMWFQHQWRC-BTYIYWSLSA-N 367.401 3.325 0 1 FGAF CCOC(=O)COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398445 CUZIKELMEJCKPO-NRFANRHFSA-N 369.417 3.400 0 1 FGAF COC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230614 VGIIFEXGERYDDH-UHFFFAOYSA-N 359.389 3.419 0 1 FGAF C[C@@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C=C(c2ccccc2F)NO1 587157849 UISNDXRPYRHCGY-FQEVSTJZSA-N 364.380 3.378 0 1 FGAF COCCC[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597608 QYYHDULTVRDTRB-YLJYHZDGSA-N 358.390 3.166 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587771172 VYCQBXZCXQODBO-QAGHZCBJSA-N 367.262 3.330 0 1 FGAF O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587600925 BZITYTUFYHFYFH-JSNIETQYSA-N 350.370 3.482 0 1 FGAF O=C(O)c1ccccc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530960 XDZVBEGSDHSPJJ-OAQYLSRUSA-N 366.369 3.209 0 1 FGAF Nc1ccc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587251178 AXPOFYLPHMLZIE-DHZHZOJOSA-N 358.405 3.375 0 1 FGAF COc1cccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202495 ITSSBZCOYJUJQJ-CQSZACIVSA-N 369.377 3.014 0 1 FGAF COC[C@H](C)[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181326 MWYHGIUHQQRTDN-RPAKXZQJSA-N 365.779 3.455 0 1 FGAF COC(=O)[C@H]1CC(OC)=C[C@]12c1ccsc1CCN2Cc1ccco1 962703315 GCYQGWQEDFBYKZ-APWZRJJASA-N 359.447 3.318 0 1 FGAF Cc1cc2c(cc1O)[C@H](c1nc3ccc(F)cc3s1)N[C@H](C(=O)O)C2 963505465 BFFFXYKFMVKZKH-XJKSGUPXSA-N 358.394 3.138 0 1 FGAF O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(Cl)cc4C3)cn2)c1 225956693 UYWBZRYCSOAEIC-UHFFFAOYSA-N 368.824 3.313 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCN=C4NO)c2nc1NC(C)(C)C 1772626288 RZEHXAGBPVZUII-UHFFFAOYSA-N 364.453 3.425 0 1 FGAF O=C(C[C@H](c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1 13490226 DYSJRNDWTMFCAH-QGZVFWFLSA-N 354.841 3.339 0 1 FGAF CCO[C@H](C)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165928673 GESIBHORGNKVPG-OAHLLOKOSA-N 367.449 3.389 0 1 FGAF CC(C)[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167120180 DJWUOCBJWQUICN-CQSZACIVSA-N 352.438 3.404 0 1 FGAF CC(C)n1nnnc1[C@](C)(CCCCC(=O)O)NCc1cccc(F)c1 205857490 VOVVXMDWXRRKMN-SFHVURJKSA-N 363.437 3.043 0 3 FGAF CC[C@]1(c2ccc(F)cc2)N=C(c2nccs2)NC(C)=C1C(=O)OC 1857553068 RKILMFUPYZBLJX-GOSISDBHSA-N 359.426 3.385 0 1 FGAF Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 1857750228 VDVDBVDCSZIDCF-GHTZIAJQSA-N 352.526 3.206 0 1 FGAF COc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857759857 RXYBVIDHAWBWAD-ZDUSSCGKSA-N 365.433 3.281 0 1 FGAF O[C@@]1(c2ccc(Cl)cc2)[C@H](N2CCCC2)c2ccccc2C2=NCCN21 1662070 KVHQKANIWGGWBY-CTNGQTDRSA-N 367.880 3.398 0 1 FGAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)C1 2465446 HVJNHTJFHLDLFD-ZIAGYGMSSA-N 351.450 3.148 0 1 FGAF CCCONC(=O)c1cn(C)nc1OCc1cccc(C(F)(F)F)c1 103275105 WXBFSYFKOTXOHR-UHFFFAOYSA-N 357.332 3.089 0 1 FGAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 103537742 XQZQRNSEACGEMW-ZDUSSCGKSA-N 353.378 3.444 0 1 FGAF CC(=O)Oc1c(C)c(C)c2c(c1C)[C@@H](CN1CCN(C)CC1)C(C)(C)O2 22934278 NIPUKGKIIPTVHI-QGZVFWFLSA-N 360.498 3.039 0 1 FGAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccoc4)nc23)C1=O 28825874 GYIQNHWRYBMRIJ-UHFFFAOYSA-N 374.400 3.134 0 1 FGAF CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)ccc23)C1 27738283 VNALAIYBURUVJL-OAHLLOKOSA-N 358.482 3.280 0 1 FGAF Cc1cc(C)c(C)c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1C 29557253 KJURXJORKJZDKH-UHFFFAOYSA-N 366.509 3.466 0 1 FGAF O[C@@H](CNCCc1cc2ccccc2[nH]1)COc1cccc2ncccc12 26250669 FJRXKQVZVFKLJP-SFHVURJKSA-N 361.445 3.288 0 1 FGAF Cc1ccccc1CN1CCN(c2ncc(C(=O)NC(C)C)s2)C1=O 74380074 YJKKYCUEXSJKMR-UHFFFAOYSA-N 358.467 3.032 0 3 FGAF C[C@H](S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C(F)(F)F 39179200 JIHXANNEMYCNKT-RXMQYKEDSA-N 371.185 3.048 0 1 FGAF CCC(=O)N[C@@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 40584852 KAWUGODYUBWMIJ-IBGZPJMESA-N 366.417 3.269 0 1 FGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccco2)C1 82142623 XOMGJMDBTZALDN-HUUCEWRRSA-N 372.469 3.446 0 1 FGAF CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(F)c2)cc1 84688365 HIFKUWXHAQYGLK-UHFFFAOYSA-N 358.457 3.320 0 1 FGAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1C1CC1 95565483 PFQGMOIIEOEFEH-LBPRGKRZSA-N 360.763 3.128 0 1 FGAF NC(=O)O[C@H](CCN1CCN(c2ccccc2F)CC1)c1ccccc1 95574894 VGDWWWGOODRXEH-LJQANCHMSA-N 357.429 3.174 0 1 FGAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nc(C)co5)c4[nH]3)ccc21 142723827 XUIPDJYSURCCFS-UHFFFAOYSA-N 360.377 3.023 0 1 FGAF COc1cc2c(cc1OC)CN1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 238758768 XYERYVRUQUETKF-HNNXBMFYSA-N 369.417 3.097 0 1 FGAF O=C(c1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 377825221 LXVYVEUUCVVNQQ-UHFFFAOYSA-O 365.316 3.041 0 1 FGAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[n+](=O)c2ccc(F)cc2n1O 653766975 SIYZMASSBGMSRE-UHFFFAOYSA-N 371.241 3.321 0 1 FGAF CCc1ccc(C(=O)CCc2nc3nc(Br)c[nH]c-3n2)cc1 587955473 KECVQTLDPJMJJA-UHFFFAOYSA-N 359.227 3.445 0 1 FGAF O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(F)c3[nH]2)c1)N1CCC1 586955456 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3.250 0 1 FGAF CC(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169700171 XEGGRPXMVKBQIS-CQSZACIVSA-N 364.453 3.079 0 1 FGAF O=C(OCCN1CCCCC1)[C@@H](c1ccccc1)C1(O)CCSCC1 3593378 YFISNCVTMLVPGF-GOSISDBHSA-N 363.523 3.057 0 1 FGAF COc1cccc(C(=O)NCCCOc2cccc3ccc(N)nc23)c1 28383070 OJZKGRACKVPNSG-UHFFFAOYSA-N 351.406 3.025 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@H]1[C@H]2C[C@@]2(C3=Nc3ccc(OC)cc32)[C@@H]1OC(C)=O 2356410018 ZCVCMEPRSGMRMX-LZFRLBTESA-N 364.445 3.003 0 1 FGAF CCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccc(Br)cc1 103174215 YXAWLEYRVASZKA-CYBMUJFWSA-N 367.272 3.324 0 1 FGAF C=CC(C)(C)c1[nH]cnc1/C=C1\NC(=O)[C@@H](Cc2ccccc2)N=C1OC 113071688 IHTIUWOEYFZBGC-WISAJEAXSA-N 364.449 3.000 0 1 FGAF Cc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 101550451 DCOMOTPXWHBHEY-MMZBVFIOSA-N 355.482 3.112 0 1 FGAF CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCCc1c[nH]c3ccccc13)C(=O)C2 101278547 NDEVSVLKYIQLLC-QRWLVFNGSA-N 374.506 3.025 0 1 FGAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc4ccccc4c3)c2n1 28571071 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368.340 3.087 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3nccs3)C2)O1 96018805 CPFAMTGKIWFNDV-LPHOPBHVSA-N 365.543 3.305 0 3 FGAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O 587452438 USDSDLDBZHXZSO-WDUKFBBWSA-N 350.370 3.300 0 1 FGAF O=C1C[C@@](CO)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536193 RQDQOFPQTPCWJZ-JOCHJYFZSA-N 366.413 3.190 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ncc[nH]c-3n1)N2 587031507 OHUSGRRYBCOSDA-CMWXKVOJSA-N 372.479 3.431 0 1 FGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(C)cc2[nH]1)C(C)C 586933455 SCLGDAGMPRWCJB-MRXNPFEDSA-N 353.488 3.297 0 1 FGAF N=C(N)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120613 QRRWBYAUZJDWGB-UHFFFAOYSA-N 362.237 3.275 0 1 FGAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 587529877 RCTWOZYFZNNAME-FDURWEHBSA-N 362.425 3.112 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587408206 OCQBEOWEBFUGQT-LZMSUEEISA-N 371.433 3.007 0 1 FGAF 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COc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1O 1772633747 XCEBLYJWVNJOBT-UHFFFAOYSA-N 370.405 3.494 0 1 FGAF COc1ccc(C2=NN(CC(=O)Nc3cc(C)ccc3C)C(=O)CC2)cc1 5135832 SFXKHABWKHHZGP-UHFFFAOYSA-N 365.433 3.277 0 3 FGAF CC(=O)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651127 WWHAQAMTPUUDGC-LJQANCHMSA-N 360.413 3.388 0 1 FGAF O=C(CN1CCN(c2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 13825756 WTUBJFQTRKYXPC-HSZRJFAPSA-N 364.489 3.066 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 14819943 DZUXGQBLFALXCR-IGTBTLQESA-N 356.503 3.267 0 1 FGAF C[n+]1ccn([C@H](Cn2cnc3ccccc3c2=O)c2cc3ccccc3o2)c1 1857615420 FAKKDHVFCWDRFI-LJQANCHMSA-N 371.420 3.058 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2nc(NC3CC3)c3ccccc3n2)c1 4257395 WVFWHWUAJQNZON-UHFFFAOYSA-N 354.435 3.243 0 1 FGAF CC(C)NCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccs1 7002574 DVQRWQWDLCIXKX-SJORKVTESA-N 358.463 3.111 0 1 FGAF CC(C)C[C@@H]1NC(=O)C([S@@](=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603573 FUMNTRIFOZAICJ-FNODVLLQSA-N 361.385 3.268 0 1 FGAF Fc1ccc(/C=C2\CNCC3=C2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 101679925 FSCARBKGILDVTO-MXHVWWQHSA-N 369.440 3.425 0 1 FGAF CCCNC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 61903182 UELNMMWFRFTGFV-KRWDZBQOSA-N 373.280 3.137 0 3 FGAF CCCCC[C@H](/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(N)=O)OC 60265032 JDVFJMFCBMEFMV-XQFVTEQUSA-N 367.530 3.098 0 1 FGAF COc1ccc(C2=C(O)C(=C(C(=O)O)c3ccc(OC)cc3)OC2=O)cc1 2356463429 ZBEMJNACGOWNSL-UHFFFAOYSA-N 368.341 3.026 0 1 FGAF C[C@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 2356583712 FAFFALJLKNGYLA-BFGMHQDSSA-N 362.510 3.148 0 1 FGAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H](OC=O)C(C)(C)O 2356632056 DDOGXGOJGIHGOH-SFHVURJKSA-N 360.406 3.211 0 1 FGAF COc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1 30447635 RBQSEDCCPUXUFY-UHFFFAOYSA-N 361.448 3.252 0 1 FGAF O=C1NC(=O)[C@](CCCOCc2ccccc2)(c2cccc(Cl)c2)N1 84688538 APTIFAXEFSRQIU-IBGZPJMESA-N 358.825 3.372 0 1 FGAF COC(=O)/C1=C\CC[C@](C)(O)/C=C/[C@]2(C(C)C)CC[C@](C)(O)[C@H](CC1)O2 199857688 OFJJTBHDOUZRJP-ZZZGYCKUSA-N 366.498 3.292 0 1 FGAF CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)C1 82203992 IMRXPYAJPMDGTE-JQFCIGGWSA-N 359.518 3.127 0 1 FGAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95866796 BKKXQWRMVVQGOO-LEWJYISDSA-N 368.521 3.018 0 1 FGAF N=c1[nH]ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587184115 NYTKENYQFDFJGJ-SNAWJCMRSA-N 362.174 3.145 0 1 FGAF O=C(O)C1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608831 MLDGFTXAVWENDB-RFJZSNKCSA-N 366.369 3.367 0 1 FGAF COC(=O)c1cc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1OC 587071998 OHTGZPLIZDWQMV-UHFFFAOYSA-N 358.781 3.437 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)NC)(c1ccccc1)CC2=O 587469082 HSBSJHBORXMLTE-NRFANRHFSA-N 353.418 3.342 0 1 FGAF CCn1cc(Br)c(Cc2nc3cc(OC)cc(OC)c3[nH]2)n1 587000742 PZWNRAQWXKXXCP-UHFFFAOYSA-N 365.231 3.150 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cncc(Cl)c3[nH]2)CCC(O)CC1 587236689 FAIDTACIDGHQHT-UHFFFAOYSA-N 366.849 3.266 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587229486 BBPMNIUEBRGVDV-UONOGXRCSA-N 352.438 3.148 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn2ncccc12 587590366 ZOGKDWWDNXDTCQ-YLJYHZDGSA-N 359.341 3.138 0 1 FGAF COc1cccc2cc3c(nc12)[C@](C)(c1ccccc1-n1ccnn1)NCC3 963032144 HHDHHYFVEUMCFA-QFIPXVFZSA-N 371.444 3.233 0 1 FGAF COc1ccc(-c2cncc([C@@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772626188 QLFFNBOKBQRPTM-MRXNPFEDSA-N 369.377 3.064 0 1 FGAF C[C@@H](N=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 169694300 HMTMYFZNKXYUTL-SECBINFHSA-N 354.320 3.369 0 1 FGAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)F)cc3)c12 169697313 OOUPWINPOLVODI-UHFFFAOYSA-N 369.379 3.480 0 1 FGAF Cc1cc(F)cc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1 1857587895 NPNAYGNWJAHRCZ-UHFFFAOYSA-N 354.360 3.188 0 1 FGAF COc1ccc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)cc1 3956084 OZKGZHLPCAKGEB-UHFFFAOYSA-N 366.465 3.008 0 1 FGAF COC(=O)C(C)=CCCC(C)=CC[C@]1(CC(=O)O)CC(=O)CCC1=O 2356347196 KTIQKVCRNZFDBK-LJQANCHMSA-N 350.411 3.006 0 1 FGAF Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)nc1C(N)=O 103298723 YGBVXNNYMCDJDQ-UHFFFAOYSA-N 361.401 3.153 0 1 FGAF O=C(N[C@@H]1COCC[C@H]1NC1CC1)c1ccc(C(F)(F)F)cc1C1CC1 118616941 BHLLCWVSTKBYLS-IAGOWNOFSA-N 368.399 3.222 0 1 FGAF NC(=O)c1cc(/C=C/c2ccccc2)cc2c(N[C@H]3CCCNC3)ncnc12 114348115 HSYMQQVYGPNCFR-IJDCCNJMSA-N 373.460 3.063 0 1 FGAF COC(=O)c1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7096891 VBLOYRUPAOFGAT-CYBMUJFWSA-N 353.374 3.476 0 1 FGAF biogenic O=C(CSc1ncnc2c(C3CC3)c(Cl)sc12)N1CCOCC1 1911583724 ONBHUWRJWPSNRN-UHFFFAOYSA-N 369.899 3.173 0 1 FGAF COc1ccc2[nH]c(CN(C)Cc3ccccc3)c(CCNC(C)=O)c2c1 42965277 RVFCYGCVMBOAEM-UHFFFAOYSA-N 365.477 3.487 0 1 FGAF CCc1nc(C(=O)N[C@@H](C(=O)NCC2CCCCC2)C(C)C)cs1 82070035 PIVNKQNYGWPUOC-MRXNPFEDSA-N 351.516 3.156 0 1 FGAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccsc3)c(=O)n21 82211758 JEJSTQVEYJPCFW-ZDUSSCGKSA-N 374.510 3.099 0 1 FGAF NC1=NC2(CCCCC2)N(OCCCCCCc2ccccc2)C(N)=N1 45201340 JJAQAUNLBGBTGW-UHFFFAOYSA-N 357.502 3.327 0 1 FGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 88260829 LAJRMLHKDHAMOJ-NHCUHLMSSA-N 372.534 3.116 0 1 FGAF COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=C(C)[C@](C)(O)C2=O 238738521 CBAPDZMSAISMEE-NRFANRHFSA-N 368.385 3.202 0 1 FGAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4cc(F)ccc43)cccc21 143623053 ZHLUUQYQAPJRNR-OAHLLOKOSA-N 370.384 3.130 0 1 FGAF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CCO[C@H](OC(=O)[C@H](C)CC)[C@]3(C)C[C@@H]12 85916648 RJBCKROILUQLAJ-DGBKWURPSA-N 350.455 3.472 0 1 FGAF biogenic C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC(=O)O[C@@](CO)(CC[C@@H]21)C3 299841093 XVRICXOPBQUECJ-ABYZYQIESA-N 350.455 3.142 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(C(C)(C)C)CC2=O 587482684 UZRBPWAIRFNAFB-FQEVSTJZSA-N 362.422 3.227 0 1 FGAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(O)nc(O)nc2[nH]1 587247763 SMJUKVHFEGDJIT-UHFFFAOYSA-N 363.377 3.179 0 1 FGAF Cc1cc(Br)ccc1OCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586980567 AMUTYNJFSQQPAY-UHFFFAOYSA-N 368.622 3.020 0 1 FGAF COc1cc2c3c(c1)O[C@](C[C@H](C)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446638 CTPHVZFOKCNBER-LBJGKRIESA-N 352.386 3.449 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587383518 SKIYFMAKTZPHGJ-QGZVFWFLSA-N 368.380 3.167 0 1 FGAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N(C)C 587431065 YJVIXKRPOQTSAM-FOIQADDNSA-N 367.401 3.037 0 1 FGAF N[C@@H](N=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007895 VARKIEKMQLOTSL-ZDUSSCGKSA-N 371.198 3.364 0 1 FGAF COC(=O)c1cc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1OC 586905012 FYFJXVOCACYLGP-CYBMUJFWSA-N 356.378 3.296 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=O)OCC)ccc3[nH]2)cc1 587224403 IJQAXEITSNSZEK-UHFFFAOYSA-N 367.405 3.382 0 1 FGAF CCOC(=O)c1nn(C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515031 IFDHNHQJUHKHBG-KRWDZBQOSA-N 354.406 3.182 0 1 FGAF CCOC(=O)CC[C@@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587522841 IHCUPCPQGKTFGI-NRFANRHFSA-N 374.433 3.478 0 1 FGAF Cc1csc([C@@](O)(Cc2nc3cncc(Cl)c3[nH]2)C(F)(F)F)n1 587094365 QNMLEURSPBVDDQ-LBPRGKRZSA-N 362.764 3.369 0 1 FGAF Oc1ccc(OCc2ccccc2)cc1-c1nc2c(O)nc(S)nc2[nH]1 587782200 ILDAAEBFYXDKLI-UHFFFAOYSA-N 366.402 3.299 0 1 FGAF O=c1ccc(S(=O)(=O)c2oc3ccccc3c2-c2ccc(F)cc2)n[nH]1 11536188 GJSIXQDXGNTUSN-UHFFFAOYSA-N 370.361 3.155 0 1 FGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)nc1 13588337 SCVTWTWDHRDTKP-UHFFFAOYSA-N 367.352 3.357 0 1 FGAF Cc1nccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1 169310211 JUPRRGMZRSUAOX-MRXNPFEDSA-N 358.873 3.014 0 1 FGAF C[C@@H](CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1c(F)cccc1F 1857568332 WXPSCWGHLSBRSO-NSHDSACASA-N 359.376 3.288 0 1 FGAF CCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C2CCCC2)C1=O 1857581915 PSCLRDCPCBLJEI-UHFFFAOYSA-N 351.450 3.200 0 1 FGAF CCCNC(=O)c1c(NC(=O)c2cccc(F)c2)nc2ccc(C)cn12 1857591144 RGWKGALPKXGTKA-UHFFFAOYSA-N 354.385 3.174 0 1 FGAF CC(=O)O[C@H]1C[C@H]2C=CCCC[C@H](C)OC(=O)C=C[C@@H](OC(C)=O)[C@@H]2C1 253670659 ILLPGJFSCLASDH-ZNLIYNOOSA-N 364.438 3.104 0 1 FGAF COc1ccc(C2=NN(CCC(=O)N[C@H]3CCCC[C@H]3C)C(=O)CC2)cc1 4712724 FUJTXGXNXRHXLQ-QAPCUYQASA-N 371.481 3.107 0 3 FGAF Cc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CCCC2)n1 101550442 DCOMOTPXWHBHEY-FJNRYZDBSA-N 355.482 3.112 0 1 FGAF CC1=C(C(=O)N2CCN(C3CCCCC3)CC2)C2(CCCCC2)OC1=O 58056194 VKULMDRNBSDMOE-UHFFFAOYSA-N 360.498 3.040 0 1 FGAF OC[C@H]1CCCCN1CCNCc1c[nH]nc1-c1cccc2ccccc12 22910578 JZLXVUJNPPYVFT-LJQANCHMSA-N 364.493 3.166 0 3 FGAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@@H]3C[C@@H](O)CC(=O)O3)c21 2356441025 AFLKSKHSRKUAGZ-MYFFOXHASA-N 358.434 3.261 0 1 FGAF O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CNCC2 27980721 FZYGHFSUGYJBRG-UHFFFAOYSA-N 356.369 3.152 0 1 FGAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@H](C)[C@@H](O)c1ccc2c(c1)OCO2 2356682216 OVWAGJLFSLWWFE-HKKFXGGESA-N 358.390 3.183 0 1 FGAF CCc1nc2ccc(C(=O)N(C)CCN(C)C)cn2c1N(C)CCC(C)C 61896483 AQTHUFVAUXBLIE-UHFFFAOYSA-N 373.545 3.013 0 3 FGAF O[C@H]1c2cc(C(F)(F)F)ccc2NC12CCN(CC1CCOCC1)CC2 1911572404 GAIUGKPLSXCUQK-KRWDZBQOSA-N 370.415 3.426 0 1 FGAF CCOC(=O)c1c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)csc1N 72118849 VLHWEAOEZRLWKI-UHFFFAOYSA-N 372.450 3.048 0 1 FGAF O=S(=O)(CC1=NCCO1)c1c(-c2ccccc2)noc1-c1ccccc1 72116787 FBZOWVQGGCCAKD-UHFFFAOYSA-N 368.414 3.211 0 1 FGAF CCOc1ccc2cc(-c3nn(CC(C)(C)C)c(N)c3C(N)=O)cnc2c1 221719529 YXMBIJKVPSHQMB-UHFFFAOYSA-N 367.453 3.224 0 1 FGAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN 84689930 MIFFBZABZJCUMV-UHFFFAOYSA-N 370.493 3.189 0 1 FGAF CO[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 95913604 UUUXPUGZNDRYSV-MRUHUIDDSA-N 370.401 3.164 0 1 FGAF biogenic,in-vitro CCCC[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 253634044 NHAKCBNDIGPYRC-GSSCMWPYSA-N 355.478 3.350 0 1 FGAF CCCSC(=S)N1CCN(C(=S)NCCc2ccccc2)CC1 299869207 UGAMCCIGEYOHCL-UHFFFAOYSA-N 367.609 3.149 0 1 FGAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC 587400574 QZOBLDPIBSQKFA-SFHVURJKSA-N 355.390 3.469 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CO)n2)N1 587768956 FGRLGNUPHMSQJE-XXFAHNHDSA-N 351.219 3.099 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(C(=O)O)csc41)[C@@H](C2)C3=O 587451741 KGJDLHPLNCOAPJ-DJJJIMSYSA-N 356.399 3.434 0 1 FGAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587041059 UWPRYTTXIFVWBQ-LBPRGKRZSA-N 363.439 3.317 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(OC(C)C)cc2[nH]1 587230966 KSCMEHIGUQMFKT-HOTGVXAUSA-N 359.470 3.387 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc12 587110028 ZYEWCNWMGATFJK-UHFFFAOYSA-N 365.267 3.129 0 1 FGAF COC(=O)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 587005509 XWDDINXPYWNEND-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF COc1cc(Br)cnc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587372169 OEJPYXUHSPIOBV-AWEZNQCLSA-N 363.211 3.450 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O 587433821 WXQFOMGZMZBTII-VQDICGIKSA-N 367.401 3.031 0 1 FGAF CC(C)Oc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586910094 LQTSABDBAIDQHE-JTQLQIEISA-N 355.232 3.071 0 1 FGAF COC(=O)c1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1OC 587083884 AWUORSUJFASLPJ-UHFFFAOYSA-N 357.797 3.486 0 1 FGAF C[C@@]1(c2ccc(OCC(N)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511633 QXWOAYBFCANRMX-QFIPXVFZSA-N 365.429 3.310 0 1 FGAF CC(C)(C)c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1 1772635782 UZNQFJBIGKHCRM-CQSZACIVSA-N 355.486 3.094 0 1 FGAF Cc1cc(OCCN2CCCC2)n2nc(SCc3ccccc3)nc2n1 1772570499 LUNRUQWMWAURHA-UHFFFAOYSA-N 369.494 3.200 0 1 FGAF O=C(c1ccccc1)N1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1 13826421 JAZCWPBIWQFGKP-FGZHOGPDSA-N 364.489 3.142 0 1 FGAF CC[C@@H]1COCCN1C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)ccc12 19608382 JNIAOWVXCSTYHV-MRXNPFEDSA-N 364.449 3.195 0 1 FGAF Cc1c(-c2cc(-c3ccccc3)nc3nnnn23)cnn1-c1ccccc1 1857549124 ZOHDOMOPEXOKIT-UHFFFAOYSA-N 353.389 3.347 0 1 FGAF CN=c1[nH]nc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)s1 1857561841 YLHSYLMEVWUTAM-UHFFFAOYSA-N 365.414 3.354 0 1 FGAF Cn1nc(C(F)(F)F)cc1OC[C@H]1C[N@@]1Cc1cnc2ccccc2c1 1857742856 RSCCYLZMGZEXKU-DLUDVSRJSA-N 362.355 3.250 0 1 FGAF OCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)cc2)s1 220731382 LKFDYEFBPSJATA-IBGZPJMESA-N 366.490 3.433 0 1 FGAF CCC1=CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356335876 GGALVOGHWJOTBS-DKSSEZFCSA-N 352.434 3.310 0 1 FGAF COc1cccc(C2=Nn3c(nnc3-c3cccc(OC)c3)SC2)c1 9290213 IVLMFDSQXLRBAK-UHFFFAOYSA-N 352.419 3.320 0 1 FGAF COC(=O)C1=C(c2ccc(I)cc2)C[C@H]2CC[C@@H]1O2 28456661 SIVVTQXNEALXFA-YPMHNXCESA-N 370.186 3.169 0 1 FGAF O=S(=O)(Cc1ccccc1)Nc1ccnc(NCCc2ccccc2)n1 64512411 JIBLHGBUEFJNSY-UHFFFAOYSA-N 368.462 3.073 0 1 FGAF CCCO[C@H](CNC(=O)C=Cc1ccc(O)c(OC)c1)c1ccc(O)cc1 2356507643 ZIJXIGDTQVXINA-HXUWFJFHSA-N 371.433 3.404 0 1 FGAF COC(=O)[C@@H]1CCC(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 2356516648 DWBSPRNBPGOZCH-CRDLYCJVSA-N 374.433 3.459 0 1 FGAF COCCNC(=O)[C@@]1(C)CCN(Cc2cccc(Oc3ccccc3)c2)C1 61929977 DPTRJMTUAYHEDB-QFIPXVFZSA-N 368.477 3.454 0 3 FGAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 82070845 PHAYGUYSGVBSDZ-HNNXBMFYSA-N 374.437 3.128 0 1 FGAF OCCOCCNc1cncc(Oc2cccc(Nc3ccccc3)c2)n1 82068476 XIGUEVRFQVMPNA-UHFFFAOYSA-N 366.421 3.433 0 1 FGAF COc1ccc2c(c1)[C@H]1N=CN(CCc3c[nH]c4ccccc34)C(=O)[C@@H]1N2 40917140 UUIVAQJNXWVEDE-WOJBJXKFSA-N 360.417 3.125 0 1 FGAF CCC[C@@H]1Oc2ccc(Br)cc2[C@]2(C=C(N)OC2)C12COC2 220713001 RUHVORVUASWLJD-GOEBONIOSA-N 366.255 3.095 0 1 FGAF Nc1nccc(-c2ccc3nc([C@@H]4COc5c(F)cccc5C4)[nH]c3c2)n1 49000023 GHOKMOHPCIOZFV-ZDUSSCGKSA-N 361.380 3.460 0 1 FGAF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)[C@H](O)CCC(C)(C)O 238754369 MJQRENNKEPLHRN-XETPBLJFSA-N 362.422 3.039 0 1 FGAF O=C(Nc1ccc(-c2cn[nH]c2)cc1)N[C@@H](CCO)c1cccc(F)c1 95591133 BNSKTIACOBJLNV-SFHVURJKSA-N 354.385 3.461 0 1 FGAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1 144193984 XWVGOINVBLOHRP-UHFFFAOYSA-N 358.405 3.465 0 1 FGAF O=C(OCC1=CCN2CC[C@@H](OC(=O)c3ccccc3)[C@@H]12)c1ccccc1 85924732 IGBMRHIQTHTGIJ-WOJBJXKFSA-N 363.413 3.083 0 1 FGAF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(N)=O)cc2)N1 587750005 QYKQLPIGNNICDP-XXFAHNHDSA-N 363.230 3.311 0 1 FGAF Cc1cc2nc(-c3nccnc3I)[nH]c2cc1C 587186786 UHVCQSSYVFYSHZ-UHFFFAOYSA-N 350.163 3.241 0 1 FGAF CC[C@]1([C@@H](F)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555746 LXUWIBYHMCQSQD-LJHODMEESA-N 360.337 3.014 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cn2)N1 587728002 FALAQHPDKLNKDD-GLEZIHRCSA-N 354.198 3.315 0 1 FGAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774346 MRGZHIQYTMDMAV-RTHLEPHNSA-N 352.207 3.010 0 1 FGAF Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCCO5)cccn12 587006794 BQJIOKFDOYTVNM-UHFFFAOYSA-N 371.194 3.411 0 1 FGAF FC(F)(F)c1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br 586910514 QECSMZWNMUQDNC-ZETCQYMHSA-N 365.149 3.302 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587233214 KSQDBEFYIMIOHR-RYUDHWBXSA-N 359.426 3.495 0 1 FGAF CC[C@]1(Cc2nc3c(O)nc(S)nc3[nH]2)CC(=O)c2ccccc2C1 587962292 XBMIESGBVJDHCK-GOSISDBHSA-N 354.435 3.115 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2c(C)c(Br)cnc2[nH]1 587783594 VSIZTIADUNIAQP-UHFFFAOYSA-N 360.211 3.411 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CN1CCNCC1)c1ccccc1 963231971 BWCIRRDNDXCNNP-GBXCKJPGSA-N 363.549 3.492 0 1 FGAF Cc1sc2c(c1C)CCN[C@]2(C)c1c[nH]c(C(=O)NC[C@H]2CCCO2)c1 963010278 NAAGEFWMNSBDHA-FOIQADDNSA-N 373.522 3.011 0 1 FGAF COc1cc(C(=O)NCc2cccc(N(C)C)c2)ccc1-c1cn[nH]c1 1772649043 MVVFOQPCDDRVRA-UHFFFAOYSA-N 350.422 3.081 0 1 FGAF O=C(O)c1csc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2O)n1 1772619141 FZRPUNZRTNIKIY-UHFFFAOYSA-N 355.297 3.418 0 1 FGAF COc1ccc(OC)c(CCNc2ccc3nc(N)nc(N)c3c2Cl)c1 5888996 UMTWVLZTKDNCTE-UHFFFAOYSA-N 373.844 3.119 0 1 FGAF COc1cc([S@@](C)=O)ccc1-c1nc2cc(-n3ccnc3)ccc2[nH]1 13651249 RHCIOXRIGOFRMZ-VWLOTQADSA-N 352.419 3.162 0 1 FGAF N[C@@](CCC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777299 MYZZJMFAJXSPSC-BBTUJRGHSA-N 353.418 3.102 0 1 FGAF Cn1cc(Cl)nc(N2CCC(Oc3ccccc3Cl)CC2)c1=O 165714336 HLOGNBULKQGFPD-UHFFFAOYSA-N 354.237 3.135 0 1 FGAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccn3)nn21 205370357 GZHZAEQAIQIBGC-CYBMUJFWSA-N 352.369 3.218 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2cn3cccc(F)c3n2)cc(-n2nc(C)nc2C)n1 209356092 QNCYWAUZMUVWBI-ZIAGYGMSSA-N 363.400 3.040 0 1 FGAF CCN(C)C(=O)Oc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 1857761416 UHRSSIRDHAWGFH-UHFFFAOYSA-N 366.373 3.496 0 1 FGAF C[C@@H]1CCC(=O)N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857762666 PFDBNPNOCYZVAO-DOMZBBRYSA-N 358.388 3.445 0 1 FGAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccccc2)CC1 28635295 UNOGZCNQPVUIQG-OFNKIYASSA-N 365.473 3.101 0 1 FGAF C[C@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1ccnc1)c1ccc(F)cc1 26009211 OPWPGDKELFUGTL-RBUKOAKNSA-N 360.816 3.471 0 1 FGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F 28229963 KHNKXWIPSPGHHO-AVNIKDTISA-N 369.458 3.283 0 1 FGAF Oc1cccc(-c2cc(CC3(N(CC4CC4)CC4CC4)COC3)no2)c1 67897720 CKPRLVOUCMSVFH-UHFFFAOYSA-N 354.450 3.481 0 1 FGAF O=C1NC[C@H](c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2[nH]cnc2c1 116829110 YQYZHMRBCDCVOR-CYBMUJFWSA-N 358.304 3.155 0 1 FGAF c1ccc2c(COc3ccc(OCCCc4nnn[nH]4)cc3)nccc2c1 28219902 RQCIANBATQRTCT-UHFFFAOYSA-N 361.405 3.339 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCCN4)cc3)nc2c1 34600489 CWHROZXSAWEZDW-INIZCTEOSA-N 364.449 3.240 0 1 FGAF C=CCC1=C[C@](OC)([C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15045021 YZPIXMCJIWJICJ-PZVFOTJXSA-N 372.417 3.086 0 1 FGAF biogenic Cc1nc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cs1 73275799 NUSCTVWALUWLHF-UHFFFAOYSA-N 362.480 3.270 0 1 FGAF O=C(O)c1cn(Cc2ccc(-c3cn[nH]c3)cc2F)c2ccccc2c1=O 45348353 PNUZKZWSNYTGAX-UHFFFAOYSA-N 363.348 3.277 0 1 FGAF CCOC(=O)C1=C(C)/C(=C2/CSC(Nc3ccccc3)=NN2)N=C1C 96129933 WTALQPDYNAWBKF-JQIJEIRASA-N 356.451 3.272 0 3 FGAF c1cc(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)c2cc[nH]c2c1 473245108 UIZCNXTUIBGGMO-UHFFFAOYSA-N 360.421 3.191 0 1 FGAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)[C@@H]1C(=O)O 587529248 MHFOYANBURILPJ-KZLTWEHOSA-N 372.417 3.101 0 1 FGAF COC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587835539 PKIMPDAZYABGNG-BMIGLBTASA-N 358.251 3.359 0 1 FGAF CN(C)/C=C/[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517890 WSYANCNEBJNHKF-ZJVMWOEPSA-N 351.450 3.235 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3cn[nH]c3cc2[nH]1 587067401 YNEOQIJUJPFSHF-UHFFFAOYSA-N 356.769 3.493 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O 587418942 FIRRFRKXHWCQIY-YPMLDQLKSA-N 355.781 3.234 0 1 FGAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(CCO)cc2[nH]1 586918359 XKEZFDSZTMJLBD-IIBYNOLFSA-N 350.418 3.314 0 1 FGAF C[C@@]1(c2cc(CNCC(F)(F)F)c(F)cc2F)CCSC(=N)N1 1772628689 OAANHBKIQRWYQJ-ZDUSSCGKSA-N 353.360 3.493 0 1 FGAF CCCCN1CC[C@H]2C=CC[C@@H](C(=O)NCc3ccc(OC)cc3)[C@H]2C1=O 12478715 CYHMQPMULAHFPK-RLLQIKCJSA-N 370.493 3.152 0 3 FGAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 15936005 WJLLJIFAOHZKRH-GOSISDBHSA-N 369.440 3.064 0 3 FGAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(Cl)cc3)C(=O)C[C@@H]12 206390192 CCDQTGULSJHSPB-OAHLLOKOSA-N 368.820 3.254 0 3 FGAF CCC(=O)c1ccc(OCCCN2CCN(c3cccnc3)CC2)cc1 1857587863 FTIALIZMFLZIKZ-UHFFFAOYSA-N 353.466 3.265 0 1 FGAF COc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 1857646690 VHCMDXUQHRJWGQ-UHFFFAOYSA-N 368.462 3.139 0 1 FGAF COc1ccc(-c2cc(NC(=O)c3ccc(OC)cc3O)cnc2O)cc1 1857746708 JHDDWKSWVLOXBW-UHFFFAOYSA-N 366.373 3.429 0 1 FGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 767077 ZEFAKLOGOFOCJS-LDBRAYGESA-N 366.461 3.302 0 1 FGAF CC[C@@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@H]13 2356363177 JMPUQJQXECRLKY-HHDVVGBASA-N 367.489 3.350 0 1 FGAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)Nc3cccnc3)c(C)o2)cc1 4683520 DYWVYXNAOYVNRE-SANMLTNESA-N 369.446 3.241 0 1 FGAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(Br)o1 28456910 HSYXCKBRNGEPHM-LYRGGWFBSA-N 350.212 3.090 0 1 FGAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 100386978 GRTOGORTSDXSFK-GJZVTGKDSA-N 352.434 3.179 0 1 FGAF COC(=O)c1nc2n(n1)[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103532529 MGBDWDSSRBVRNG-OAHLLOKOSA-N 352.394 3.372 0 1 FGAF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(NC=O)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)NC=O 2356551155 SJUBXKFUQQKUEC-RDHALWJYSA-N 360.542 3.360 0 1 FGAF COC(=O)C1=C2[C@@](C)(CCC[C@@]2(C)C(=O)OC)c2cc(C(C)=O)ccc21 2356703097 LQPOHALBCNGILQ-LEWJYISDSA-N 356.418 3.450 0 1 FGAF COc1cc2cc(CCOC(=O)c3ccc(F)cc3)oc(=O)c2cc1OC 36388710 MSJKRPSBIBRNTC-UHFFFAOYSA-N 372.348 3.349 0 3 FGAF CC(C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8235646 SIZHWMVJGCSDCD-UYAOXDASSA-N 359.429 3.162 0 1 FGAF biogenic CC(C)(C(=O)Nc1ccccc1)n1cc(NC(=O)Cc2ccccc2)cn1 74387714 KOOJSCDJQRGYQS-UHFFFAOYSA-N 362.433 3.438 0 3 FGAF CC(=O)[C@@H](C)[C@@H]1c2cc3c(cc2C(=O)c2ccc4c(c21)OCO4)OCO3 13385381 KMNCFSCPIUXTDN-VVVCHXIZSA-N 352.342 3.045 0 1 FGAF biogenic CCCCC[C@H](O)CC/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O 219947334 WRFBDEURXXFJRY-ZREXUFMBSA-N 354.487 3.353 0 1 FGAF in-vitro C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1I 72106707 WBMPZVQIRAQADN-GXSJLCMTSA-N 372.202 3.391 0 1 FGAF COc1cc(C(=O)NCc2c(F)ccc(OC)c2F)ccc1-c1cn[nH]c1 221713846 YKCPIOFQNXOLHH-UHFFFAOYSA-N 373.359 3.302 0 1 FGAF COc1cc(OCc2ccncc2)c(C(=O)Nc2ccccn2)cc1OC 40568153 WYVNCROIKHZQND-UHFFFAOYSA-N 365.389 3.325 0 1 FGAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40378971 VAAUGDOWUMNJBI-HTJTXACHSA-N 366.841 3.381 0 1 FGAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1cccs1 82203564 FDIBBSZQJXMXFS-UHFFFAOYSA-N 366.494 3.180 0 1 FGAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCOC(N)=N1 95601757 HIFMUVLULGJLTJ-KRWDZBQOSA-N 362.792 3.077 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Cl)cc4)nn1)[C@@H](C2)C3=O 587423497 UQEITNYUICZYEW-IFXJQAMLSA-N 367.792 3.418 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175163 RMNQVAQCOYVGGU-UHFFFAOYSA-N 364.789 3.151 0 1 FGAF CCc1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(S)n1 587451708 LSJCFEVZVVVLNO-CWTRNNRKSA-N 356.447 3.308 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(-c3ccc(F)cc3)c1C)O2 587383868 HGIRKOJPWDYCBH-FQEVSTJZSA-N 366.396 3.486 0 1 FGAF CC[C@]1(Cn2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344642 XIKVXVZYAGWCDB-AZUAARDMSA-N 367.380 3.331 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)no2)N1 587790945 DCENYSPRBZKOFZ-KWKYVRJSSA-N 369.190 3.072 0 1 FGAF Oc1nccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183139 AYKZJYHAFUPITI-PLNGDYQASA-N 363.158 3.439 0 1 FGAF CCOC(=O)c1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c1 587928111 WQMHGLTXZCVROP-UHFFFAOYSA-N 356.378 3.432 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCSCC3)o1)O2 587414957 PXULJZLARIIMOP-SFHVURJKSA-N 358.463 3.426 0 1 FGAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4C(=O)O)-c1ccccc1C2=O 587102171 SVBGEQOZQAWOKH-HNNXBMFYSA-N 357.365 3.438 0 1 FGAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(CCO)cc2[nH]1 587044105 ZLCRZKOMUZXRDF-MRXNPFEDSA-N 373.865 3.407 0 1 FGAF COC(=O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042331 SEIXHDKKKGEXMW-JKSUJKDBSA-N 353.447 3.296 0 1 FGAF Cc1cc(C)c2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587202448 IHFJQBGMLQOXCP-MRXNPFEDSA-N 367.405 3.102 0 1 FGAF O=c1cc(Cl)nc2n1C=CC[C@]21NCCc2c(Cl)cc(Cl)cc21 963110834 QHRHQJPAHFWMCB-MRXNPFEDSA-N 368.651 3.467 0 1 FGAF COc1cccc2c1OC[C@H](N)[C@@]21NCCc2cccc(-c3ccccc3)c21 962666654 KXURGQYBXKMLTM-URXFXBBRSA-N 372.468 3.471 0 1 FGAF O=C(c1cc2ccccc2s1)N1CCN(CCOc2cccnc2)CC1 205941818 APECYVWEUYUQKJ-UHFFFAOYSA-N 367.474 3.133 0 1 FGAF Cc1cc(-c2nc3cnc(N)cc3n2[C@@H](C)c2ccccc2)cn(C)c1=O 1772592312 IVBCZMZXWJIVBB-AWEZNQCLSA-N 359.433 3.297 0 1 FGAF c1ccc(-c2nnc3c4ccccc4c(OCc4cccnn4)nn23)cc1 13559989 RUOVJURXWIHZPL-UHFFFAOYSA-N 354.373 3.314 0 1 FGAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3cccc(F)c23)C1=O 13587553 VDDFLUPTLLUTSH-UHFFFAOYSA-N 354.366 3.139 0 1 FGAF CC1=NC(=O)N[C@@H](c2ccccc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687129 ZWWJSOLJZFTWCL-MSOLQXFVSA-N 366.373 3.000 0 1 FGAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 169723962 PQFSOZYHJGHBCM-DOTOQJQBSA-N 359.422 3.355 0 1 FGAF CCCCNC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)nc2ccccn12 1857621490 JPAYJAKVMRUYDG-UHFFFAOYSA-N 372.375 3.395 0 1 FGAF Cc1cc2c(s1)CC[C@H](CN[C@H]1CC[C@@H](Oc3ccccc3)[C@H]1O)C2=O 2014158 IMKMRGOTDDUQHF-IZQPOCBFSA-N 371.502 3.362 0 1 FGAF CCCCC[C@H](O)[C@H](O)C=C[C@@H](O)CC=CCC=CCCCC(=O)O 2356342672 YCFPVUKKIWMCJK-GBESFXJTSA-N 354.487 3.353 0 1 FGAF CN[C@H]1[C@H]2CCC[C@]23C[C@@]24C[C@@H]1C=C[C@]32[C@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356355465 FBFPTUVKXJCALB-ROEBVPMYSA-N 357.538 3.403 0 1 FGAF CC[C@H](C)NC(=O)CN1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 4972146 YAUOAXGFZRFVIU-JKSUJKDBSA-N 363.461 3.174 0 1 FGAF O=c1c2sc3ncc4c(c3c2ncn1-c1ccc(Cl)cc1)NCCO4 28827160 FODONWGPMXPGNC-UHFFFAOYSA-N 370.821 3.453 0 1 FGAF in-vitro COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1 26946987 JPRVIOLDDZSIDH-UHFFFAOYSA-N 354.431 3.087 0 1 FGAF CSc1cccc(NC(=O)c2noc3ncnc(N4CCCC4)c23)c1 20993741 OQUYGDMSWOKKHL-UHFFFAOYSA-N 355.423 3.192 0 1 FGAF CC[C@H](C)CCCCCCCCC(=O)N[C@@H](CC(=O)OC)C(=O)OC 2356500545 XSWVXEKKEXEEKJ-HOTGVXAUSA-N 357.491 3.374 0 1 FGAF C[C@@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC[C@@H]2C1=CC(=O)OC1 2356574041 KZKYFFVJJQLCMA-IPULFYKGSA-N 372.505 3.380 0 1 FGAF CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 21768748 IYRKOAKZIFHUOY-UHFFFAOYSA-N 357.417 3.243 0 1 FGAF COC(=O)c1ccc2c(-c3ccnc(SCCN(C)C)n3)c[nH]c2c1 72107067 RESGOFFFUMERHK-UHFFFAOYSA-N 356.451 3.065 0 1 FGAF Cc1cc(-c2ccc(=O)n(C)c2Cl)cc2cn(C3CCNCC3)nc12 1911577004 PTFYMOBASRYXQT-UHFFFAOYSA-N 356.857 3.288 0 1 FGAF NCCCNCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 45352988 SXNILNFDUZVQOZ-UHFFFAOYSA-N 370.456 3.017 0 1 FGAF Cc1ccc(OCc2nnc(NC(=O)c3ccccc3C(=O)O)s2)cc1 40011092 UIBNFJOAMQMUPM-UHFFFAOYSA-N 369.402 3.376 0 1 FGAF C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 136406351 CKFAWKKKHYVXKL-WFDFJMSYSA-N 370.478 3.485 0 3 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52C)[C@]63O)CC[C@@H]41 238764139 OOYPAHLAIJBOOF-ANPMZTDTSA-N 371.521 3.353 0 1 FGAF CCN(C(=O)c1ccncc1OCc1ccccc1)[C@@H]1CCC[C@H](N)C1 96940010 CZEFLJSXYHXDIS-ZWKOTPCHSA-N 353.466 3.393 0 1 FGAF CC[C@@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)NCc1ccccc1 25427236 GLPGMMKOWDTXKZ-QZTJIDSGSA-N 354.450 3.474 0 1 FGAF biogenic CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C(C)C)cc12 299854738 AISSNBLVMLYLSU-UHFFFAOYSA-N 367.409 3.145 0 1 FGAF O=C(CN1CCC[C@@H]2Cc3cc4c(cc3[C@H]21)OCO4)Nc1ccccc1 299830112 MPGOCIONUJWYAH-SZNDQCEHSA-N 350.418 3.363 0 1 FGAF CC[C@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439463 UJQIATJXDQHZEA-CMPZQBNXSA-N 357.450 3.383 0 1 FGAF COC(=O)[C@@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441292 DHJIPANUVXOBSL-FFUDGTDTSA-N 352.386 3.147 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)c(C)cc3n3nnnc13)O2 587395278 PLDFUQGHNLDQHA-IBGZPJMESA-N 373.416 3.491 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(=N)[nH]c2)N1 587746144 LMYGTSYUGFBGLO-FVMDXXJSSA-N 350.235 3.193 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)no2)N1 587798340 UWUDREPKRGAEFC-ZIDLFYJRSA-N 369.190 3.072 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]cncc1-2 587589456 OXPBCSFDWWBTMI-VQIMIIECSA-N 359.341 3.318 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cn2)N1 587774800 XVQLIOPKTJHFQT-XXFAHNHDSA-N 351.219 3.487 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587441265 FIACUBXPOULFAX-LAUBAEHRSA-N 351.402 3.021 0 1 FGAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587744055 GDCMPLJPVYJTSE-VFZGTOFNSA-N 350.235 3.497 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587720322 MOLLPQWJQAHUBG-IIRLODAESA-N 362.214 3.239 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441792 MUIPHBMFUAWNMW-IERDGZPVSA-N 352.386 3.210 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2N)N1 587727366 BSYKWAXZHBJZGH-JKYUHCHBSA-N 354.198 3.328 0 1 FGAF COc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cn1 586971935 BPQVNKKYQNORRW-MRXNPFEDSA-N 356.451 3.077 0 1 FGAF Cc1cnc(Cl)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 587164675 YWEGLUVDPBDCOK-UHFFFAOYSA-N 371.803 3.337 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)cnc3[nH]1)C2 587247723 XZTHBSVQXARYCL-QGZVFWFLSA-N 362.355 3.328 0 1 FGAF CN1CCc2c(Br)cccc2[C@@]12C[C@@H](O)c1cccc(N)c12 963271947 YICHJJMJDJAXSE-SJLPKXTDSA-N 359.267 3.200 0 1 FGAF COC1=C(OC)[C@H]2C=[N+]3CCc4cc(OC)c(OC)cc4C3=C[C@@H]2C=C1 100037189 XXPJAVJXRGUFCB-BBRMVZONSA-N 354.426 3.004 0 1 FGAF COc1cc(C(=O)NC[C@@H](O)c2ccccc2Cl)ccc1-c1cn[nH]c1 1772629532 XZOMFGUPUHMZFT-QGZVFWFLSA-N 371.824 3.202 0 1 FGAF COc1ccc2c(c1)O[C@@H]1c3cc4cc(C(C)(C)O)oc4cc3OC[C@@]21O 15261719 XRYDGCQYNMEJEL-TZIWHRDSSA-N 368.385 3.383 0 1 FGAF endogenous,in-man COc1cc(/C=C/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1857601985 DCUQQQDRZREOFI-UBXZVMTISA-N 370.224 3.386 0 1 FGAF COC(=O)c1cc2c(s1)CCN1Cc3c(OC)ccc(OC)c3C[C@@H]21 1857631677 ZJGZLFAVNFHKTL-AWEZNQCLSA-N 359.447 3.207 0 1 FGAF COc1cc(-c2cnc3c(N4CCO[C@H](C)C4)snc3c2)ccc1N 1857635172 PVQOUORBZGWMAM-LLVKDONJSA-N 356.451 3.174 0 1 FGAF C[C@@H](c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21 116868318 JFZIAPFELLCWLF-LBPRGKRZSA-N 374.379 3.183 0 1 FGAF O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)o1 1841883 ZHYNGNFRXSCGRM-UHFFFAOYSA-N 350.418 3.265 0 1 FGAF Cc1cccc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)c1 4257443 PXSUXVMSRROECL-UHFFFAOYSA-N 368.462 3.436 0 1 FGAF O=c1oc2ccccc2c(O)c1C1=NC(S)=N[C@H](c2cccnc2)C1 100104059 YXHAUWHYCSNIKS-LBPRGKRZSA-N 351.387 3.114 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1 28959928 OVQIYFUAFBWVPV-UHFFFAOYSA-N 364.449 3.194 0 1 FGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5ccccc45)C[C@H]3C2)n1 116822872 UPDIDSMLOOSOTA-OALUTQOASA-N 372.472 3.455 0 1 FGAF CCc1ccc(CCC(=O)c2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 29486494 FUNMWBQIOZTCKY-GOSISDBHSA-N 368.458 3.354 0 1 FGAF CCOC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1 27704837 XCPWVNPMXQLDQA-UHFFFAOYSA-N 371.828 3.236 0 1 FGAF CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(OC)c3)cc2n1 72316156 WWUXHXQJFWXACS-UHFFFAOYSA-N 352.394 3.455 0 1 FGAF COc1c(O)cc2c(c1OC)-c1c(OC)c(O)cc3c1[C@@H](CC2)N(C)CC3 14645581 UPDCPGFCIDXGDU-CYBMUJFWSA-N 371.433 3.266 0 1 FGAF biogenic NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12 136904373 WKBSJXTYLRNRCT-AWEZNQCLSA-N 352.413 3.237 0 1 FGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)COc2ccccc2)n1 142146251 FNKCBAVDKFWXMO-GDBMZVCRSA-N 356.426 3.337 0 1 FGAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)C 95895203 GFFGWWHPUXJGGG-FDFHNCONSA-N 370.468 3.166 0 1 FGAF N=C(Nc1ccc2c(c1)CCN2C(=O)CN1CCCC1)c1cccs1 95563796 PHAGXXSMKBKEQG-UHFFFAOYSA-N 354.479 3.170 0 1 FGAF CN(C)c1ccc(-c2noc([C@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cc1 653753005 FCUQVHFTVGETGH-AWEZNQCLSA-N 366.469 3.422 0 1 FGAF COC(=O)[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107524 UGVQFPPCQWMBKZ-HNNXBMFYSA-N 357.365 3.218 0 1 FGAF COC(=O)c1coc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615859 HTJBWCCAIXLYEZ-VQIMIIECSA-N 366.325 3.475 0 1 FGAF OCc1ccc(F)c(-c2nc3cccc(I)c3[nH]2)c1 587140089 GAIUNOUDEYZFNP-UHFFFAOYSA-N 368.149 3.466 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSCC(=O)O)(c1ccccc1)O2 587408916 JOMGQCBEWYIPMP-IBGZPJMESA-N 357.431 3.256 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Cc1ccccc12 587817017 HHJVQOUAQPAQCR-MGNBDDOMSA-N 360.226 3.491 0 1 FGAF O=S(=O)(c1ncccc1-c1nc2cc(F)c(F)cc2[nH]1)C(F)(F)F 587127578 XRXQJIBYOOYEEX-UHFFFAOYSA-N 363.267 3.197 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC(C)C)c4ccccc41)[C@@H](C2)C3=O 587435853 LHHXAKVBXDWZGC-KSFYIVLOSA-N 363.413 3.341 0 1 FGAF Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)s2)cn1 587021748 OMIHLPMPKKGQDR-UHFFFAOYSA-N 361.333 3.408 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc2c(nn1)CCC2 587867879 DNJDYMDTABLSCP-UHFFFAOYSA-N 361.327 3.240 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587437806 LKUIWSWDVDJKIC-UHBVIIIMSA-N 359.422 3.211 0 1 FGAF COc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773433 ILSTVUVNKFQISG-CLAHSXSESA-N 352.207 3.010 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(Br)c1O)O2 587374960 ANYCKSWQBZINQW-CQSZACIVSA-N 364.195 3.457 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587044252 YGEJBMIATWOMRB-LLVKDONJSA-N 351.403 3.020 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@@H]12 13780190 LPEMRCKRZGMAJN-WIRVCHQWSA-N 364.482 3.254 0 1 FGAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23CN4CCC[C@@]4(C[C@@H]12)C(=O)N3 169369955 DXPVAKSJZFQGSS-ZLGUVYLKSA-N 369.896 3.378 0 1 FGAF O=C1c2cc(-c3ccc(F)c(F)c3)ccc2OCCN1Cc1ncccn1 206181759 QZLNNVAQYNJYSM-UHFFFAOYSA-N 367.355 3.457 0 1 FGAF C[C@H](c1ccc(-c2ccccc2)cc1)N(C)c1ncc2c(=N)[nH]c(=N)nc-2[nH]1 1857568614 JZARIFLOTOOZQF-CYBMUJFWSA-N 371.448 3.061 0 1 FGAF CCc1ccc2nc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)sc2c1 3041108 WZKWYBVJYKSKER-INIZCTEOSA-N 373.522 3.370 0 1 FGAF O=C(Cn1c(=O)c2cccn2c2ccccc21)N[C@@H]1CCCc2ccccc21 6782269 XCLDCGBKQVRXNE-GOSISDBHSA-N 371.440 3.448 0 1 FGAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@H]23)ccc1O 6793936 CPJKKWDCUOOTEW-MXKXFIQMSA-N 372.417 3.493 0 1 FGAF Nc1nc(-c2ccc(C3CC3)o2)nc2sc(CN3CCOCC3)cc12 118598911 ZPQCBODOEWYNQQ-UHFFFAOYSA-N 356.451 3.243 0 1 FGAF C[C@H](NC(=O)c1cccnc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356300472 WVVWOJYYJFWXCU-JTQLQIEISA-N 355.325 3.065 0 1 FGAF CCC1=CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@@H]24 2356477571 AEHQXGJWNFLWOF-CYYCYGDNSA-N 360.413 3.004 0 1 FGAF COc1ccc(-c2oc3cc(OC)c(OC)cc3c(=O)c2O)cc1OC 2356708112 FDEANYFBSSTESH-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF O=C(O)CCC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCCCCCO 2356712098 PTJFJXLGRSTECQ-MOPGFXCFSA-N 352.471 3.131 0 1 FGAF CC(=O)Nc1cccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c1 35846878 SXOBKWKBKHTRHL-HXUWFJFHSA-N 372.490 3.107 0 1 FGAF CN1CC[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)c3ccccc3)C[C@@H]1C2 36215689 WDPFEPSDGHQGPI-WOIUINJBSA-N 350.462 3.317 0 1 FGAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(F)cc1C)C2 225938250 RBXVPABDEDSTLG-LBPRGKRZSA-N 365.412 3.210 0 1 FGAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]2C1 40466787 DZQHCYXCIBSBAB-QWHCGFSZSA-N 351.878 3.068 0 1 FGAF COc1cc2c(c3c1OCO3)[C@@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2 85879748 KCYVBPCJWBVYJQ-ZSMADZGOSA-N 370.401 3.217 0 1 FGAF COc1ccc(-c2cc(NO)c(C(=O)NC3CCCCC3)c(=O)o2)cc1 473155227 QMFPPMYWFSLMED-UHFFFAOYSA-N 358.394 3.179 0 1 FGAF NC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587575704 KMDDBBNNAAPLGU-SIKLNZKXSA-N 373.364 3.442 0 1 FGAF O=C(NCc1nc2cccc(C(=O)O)c2[nH]1)c1cccc(C(F)(F)F)c1 587112188 PUTDNKQEZHFDKV-UHFFFAOYSA-N 363.295 3.210 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3o1)(C(O)O)CC2=O 587486155 XCJMQXOBGXUSHX-NRFANRHFSA-N 368.385 3.262 0 1 FGAF COC(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1OC 587969307 LKXDIVRKADPINW-BFHOYBQZSA-N 354.406 3.005 0 1 FGAF C[C@]1([C@]2(Cl)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541862 GKQUQEQMEDZIQI-CCKFTAQKSA-N 374.776 3.037 0 1 FGAF COc1cccc2nc(-c3cncc(I)c3)[nH]c12 587185164 QNGPJTOGGDLVJW-UHFFFAOYSA-N 351.147 3.238 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccnn1C)CC2=O 587474856 HZWGKNFAFZMPJT-XETPZZHUSA-N 355.438 3.014 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586936369 LYDYZCQBVQTXBH-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc(N(C)C)c1 587870146 ANJPNLYITQFVKY-UHFFFAOYSA-N 354.385 3.237 0 1 FGAF Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962908259 UVONZEHEVKJPEM-RXVVDRJESA-N 371.408 3.150 0 1 FGAF CCc1nc(C)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)s1 963240648 ZDDYRIRKLPDLMA-UZLBHIALSA-N 367.474 3.425 0 1 FGAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F 1772611845 MSQHYHHPFFDMFR-CZUORRHYSA-N 372.440 3.370 0 1 FGAF C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)cc64)OC[C@H]3[C@@H]1C[C@H]25 1772597666 HBPGSKLHBXLGBP-UDYYJZTFSA-N 352.434 3.054 0 1 FGAF Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2[C@@H]1CCc2ccccc21 1772653107 CKJXBFPVDBUQHA-MRXNPFEDSA-N 361.380 3.456 0 1 FGAF C[C@@]1(O)C([C@H]2C(=O)Nc3ccc(Br)cc32)=Nc2ccccc21 169692426 RLKULYLGSBYPPJ-YOEHRIQHSA-N 357.207 3.479 0 1 FGAF Cc1cccc(Nc2[nH]c(=N[C@H]3CCCC[C@H]3N)cc3ccnc(O)c23)c1 1857607016 VGCGSJJJHOPEEF-SJORKVTESA-N 363.465 3.491 0 1 FGAF COc1cc(N=c2[nH]c3c(s2)[C@@H](OC)CCC3)cc(OC)c1OC 1857769925 APTVFMSEOLFRRE-LBPRGKRZSA-N 350.440 3.358 0 1 FGAF S=C1N=C(c2ccccc2)C[C@@H](c2cc3ccccc3n3nnnc23)N1 138853574 KFGWPTJEQYKJLB-INIZCTEOSA-N 358.430 3.086 0 1 FGAF COc1ccc([C@@H]2NC(=O)Nc3c2c(=O)oc2ccccc32)cc1OC 1661695 DJFNUSGEKWWPTK-INIZCTEOSA-N 352.346 3.035 0 1 FGAF Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863308 FFJUDQDGCKOKOG-AUUYWEPGSA-N 356.447 3.068 0 1 FGAF CCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl 2501575 HXMAKENSUPUYLN-UHFFFAOYSA-N 369.874 3.442 0 1 FGAF COc1ccc(NC(=O)N2CC[C@@H]3COC(=O)N3c3ccccc3C2)cc1 2356291382 SIESTUXZENGFFU-MRXNPFEDSA-N 367.405 3.458 0 1 FGAF C[C@H](CC1=N[C@H]2[C@@H](C=NN2c2ccccc2Cl)C(=O)N1)C(F)(F)F 101330047 JPHHGFNKNXDZSD-JRKPZEMJSA-N 358.751 3.205 0 1 FGAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccn1 115657815 TUPUSZLDCLKKGV-QFIPXVFZSA-N 373.387 3.034 0 1 FGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 62224619 GWSLDANNQAFCHU-KRWDZBQOSA-N 359.422 3.142 0 1 FGAF COc1ccc(N2c3ccccc3-c3cc[nH]c(=O)c3[C@H]2O)cc1OC 16978038 AEDWYDPNSABYBT-HXUWFJFHSA-N 350.374 3.202 0 1 FGAF biogenic O=C(CP(=O)(O)O)NCCCCc1cccc(Oc2ccccc2)c1 40424311 FMNJZGQXSWZEJL-UHFFFAOYSA-N 363.350 3.096 0 1 FGAF CC1=C2CC[C@](C)(O)[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)c2ccc(O)cc2)C1 85827321 ZDOSZWDCFGTWLV-JPVHLGFFSA-N 374.477 3.432 0 1 FGAF biogenic CNC(=O)Nc1ncc(SCCCOC)cc1Oc1cccnc1C 299820603 DEEDZFNFVOWYCU-UHFFFAOYSA-N 362.455 3.457 0 1 FGAF CS(=O)(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993138 FGWAOEZVCFVNQN-OAHLLOKOSA-N 365.410 3.184 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2O)N1 587774591 WVVSXAWYEYBXET-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CCOC(=O)Cc1ccc2nc(CSc3nc(O)cc(CC)n3)[nH]c2c1 586966252 CIWRTPAWCWVVBM-UHFFFAOYSA-N 372.450 3.019 0 1 FGAF Nc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572448 VCMJGPIXNNPMHH-QAPCUYQASA-N 352.321 3.211 0 1 FGAF Cc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)s1 587657222 RIEQHIPPYKWSEU-UHFFFAOYSA-N 356.357 3.491 0 1 FGAF O=C(Oc1cccc2c1Cc1cc3c(O)nc(O)nc3nc1-2)c1ccccc1 587560484 CIWFZTFCFJFXTE-UHFFFAOYSA-N 371.352 3.226 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1[C@@H](CC3)CN[C@H]1C(=O)O 587107729 UTOSYUJXGWQPPY-HEVOHVLSSA-N 370.408 3.149 0 1 FGAF C[C@@]1(c2cc[nH]c(=N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340225 VJMXUXHEMSLJKJ-PXNSSMCTSA-N 365.364 3.008 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1cnn(C)c1)CC2=O 587478931 WVVVFFDEQNWDEY-SFHVURJKSA-N 366.421 3.185 0 1 FGAF COc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184018 AHSZDSDGYMJHQO-UHFFFAOYSA-N 351.147 3.238 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)C2(C)C)N1 587826352 KNDAPVXFBAYZSZ-DRGRQASISA-N 356.235 3.448 0 1 FGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C 587579671 FLEAUBHNWBIKFU-XLIONFOSSA-N 350.374 3.311 0 1 FGAF Cc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962629875 IJVKVKJFDHIAID-PBHICJAKSA-N 366.339 3.151 0 1 FGAF Brc1ccc(Cn2nnc3c(Br)cccc32)cn1 1857576306 LXJOFXHFXKYJTF-UHFFFAOYSA-N 368.032 3.400 0 1 FGAF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc2ccccc2c1 1772585594 AHXSGHNCIVPWQD-UHFFFAOYSA-N 359.381 3.269 0 1 FGAF O=Cc1cc(Br)c(O)c(Br)c1Br 14769577 DCROONBRKZVACU-UHFFFAOYSA-N 358.811 3.492 0 1 FGAF biogenic CCCCC[C@@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 15848219 DLJKPYFALUEJCK-HHZKWJIGSA-N 368.514 3.433 0 1 FGAF CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1 207738353 UUVJLQSBOAICCA-SFHVURJKSA-N 371.456 3.092 0 1 FGAF NC[C@@H](N)CCCNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857556674 CTARBALYWGIJDX-QFIPXVFZSA-N 367.537 3.051 0 1 FGAF CCCCc1cn(-c2ccc(S(=O)(=O)Nc3ccccc3O)cc2)nn1 1857596652 PZQNNNFEUMZQNR-UHFFFAOYSA-N 372.450 3.116 0 1 FGAF Cn1c(CO[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]2F)nc2ccccc21 2356349199 WYWHVGRNSFQBOK-CRAIPNDOSA-N 368.412 3.344 0 1 FGAF COc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1 4238774 WXLNSHQLCUEDDC-UHFFFAOYSA-N 364.430 3.166 0 1 FGAF COc1ccc2c(OC)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 6018954 MLENXYPZCCNDEL-UHFFFAOYSA-N 366.393 3.105 0 1 FGAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(C)=O)C=C3C)[nH]c2n1 2356286846 RXISMJKWPMTJAY-GVDBMIGSSA-N 370.497 3.500 0 1 FGAF FC(F)(F)c1ccc(CNC[C@@H]2COCc3nc4cccnc4n32)cc1 2356298821 DBWFKLZERHBDOU-CQSZACIVSA-N 362.355 3.311 0 1 FGAF CN1CCC(O)(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 8536372 SIQUUVQVHIMYKO-UHFFFAOYSA-N 352.413 3.191 0 1 FGAF COc1cc(C(=O)CC(=O)c2ccc(F)cc2F)cc(OC)c1OC 103221589 WBEROMQOZGVISX-UHFFFAOYSA-N 350.317 3.446 0 1 FGAF CCCNC(=O)CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101487664 SPZZQXFLVUPSCH-WQOARKCMSA-N 369.527 3.241 0 1 FGAF Cc1ccc([S@@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCO)cc1 25976415 BBSZJJCBEJPHIL-DEOSSOPVSA-N 367.858 3.204 0 1 FGAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)cc1 100912793 SUQNPPWHLMFZBZ-VRFRFPCOSA-N 362.267 3.488 0 1 FGAF Cc1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]1 29128707 IQXMSKNDTHUFOZ-MRVPVSSYSA-N 365.409 3.025 0 1 FGAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1ccc2c(c1)CCO2 2356524485 GMMMHCGITFKMDB-PMACEKPBSA-N 356.510 3.277 0 1 FGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@@]31C[C@H](c3ccoc3)OC1=O)OC2 2356655585 HXZOVFHWQXUMMV-NTYXMBCQSA-N 372.417 3.333 0 1 FGAF COc1cc2nc3occc3c(OC)c2cc1OC[C@H](O)C(C)(C)OC 34505493 WVKRJHMXOXJMFW-INIZCTEOSA-N 361.394 3.163 0 1 FGAF biogenic,in-vitro COC(=O)c1cc([C@H](O)CN[C@H](C)CCCc2ccccc2)ccc1O 45169093 MVIONHNYRFQXIN-FOIQADDNSA-N 357.450 3.213 0 1 FGAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@H]1Oc2cc4c(cc2[C@@H]1CO3)OCO4 14613193 CWGQQELECQFCDS-QTJFZDIUSA-N 368.385 3.099 0 1 FGAF biogenic COc1ccc2c(c1O)[C@@]13CCN(CC4CC4)[C@H](C2)[C@H]1C[C@H](C)C(=O)C3 194962710 DYVYBMXIBPLUKH-OFAHOWDGSA-N 355.478 3.294 0 1 FGAF CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F 224808422 IUANZCPBZWQDOK-UHFFFAOYSA-N 361.373 3.075 0 1 FGAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3c3ccccc3)c2s1 141208868 IAEPLCQQQMHCHK-KMFMINBZSA-N 370.474 3.255 0 1 FGAF Fc1ccc(Nc2cc(N[C@@H]3CCCNC3)nc3ccnn23)cc1Cl 95552605 DQHGXHGUNOSYSE-GFCCVEGCSA-N 360.824 3.429 0 1 FGAF COc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2C2CCCCC2)cc1 95599283 IURPDDIXECWJCN-FQEVSTJZSA-N 369.469 3.225 0 3 FGAF COC(=O)C1=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587809442 RLZKBWRBXXZVLP-FVMDXXJSSA-N 354.219 3.211 0 1 FGAF COC(=O)c1cccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587155623 JFKVDOFXJRXXFN-LJQANCHMSA-N 353.353 3.280 0 1 FGAF CC1(C)[C@H](C(=O)O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607923 IVNUJOPEJJODEO-LCMPSIMXSA-N 354.358 3.223 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)o1)O2 587387020 NSHMTKUDUWQEML-GFCCVEGCSA-N 369.158 3.481 0 1 FGAF Cc1sc(=N)[nH]c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610419 FURVPDAKGGDYRY-KUHUBIRLSA-N 368.414 3.447 0 1 FGAF CCOC(=O)c1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 586918038 VXGWORBNLOIBJQ-UHFFFAOYSA-N 365.227 3.396 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 586949993 LELYZGOJDHDBLD-UHFFFAOYSA-N 371.796 3.457 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(SC)ccc41)[C@@H](C2)C3=O 587449256 BYUPLLRHRZGTDQ-DJJJIMSYSA-N 353.399 3.012 0 1 FGAF Clc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)o1 1772605036 SUCMXMGLSMPMOE-UHFFFAOYSA-N 356.817 3.232 0 1 FGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H](C)C1CC1 1772636492 WFTKWNBPRXJBBC-LLVKDONJSA-N 361.449 3.430 0 1 FGAF NC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 5933198 RUUOIINPNMNPIU-UHFFFAOYSA-N 366.425 3.155 0 1 FGAF in-vivo CSCCCN1CCC(n2nccc2NC(=O)C2CCCC2)CC1 12595279 KYIAMBCZCFJCDA-UHFFFAOYSA-N 350.532 3.402 0 1 FGAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(O)cc1-3 14775347 ILKYEDYPZACASH-HNNXBMFYSA-N 355.390 3.298 0 1 FGAF endogenous,in-man COc1ccc(C[C@@H]2COC(=O)/C2=C\c2ccc3c(c2)OCO3)cc1OC 15119273 GVNUFBXIXQNOCF-HXIRNQQJSA-N 368.385 3.232 0 1 FGAF CCCC[C@H]1CC(=O)[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 169311083 NHAKCBNDIGPYRC-WQLSCXOGSA-N 355.478 3.350 0 1 FGAF CN1CCN(c2ncnc3oc(-c4ccccc4C(F)(F)F)nc23)CC1 1857643746 GVEJMRDIJQJFGV-UHFFFAOYSA-N 363.343 3.055 0 1 FGAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N(C)C3CCCCC3)cc2N1C1CC1 1857761448 DWTTURGOZMHKAI-CQSZACIVSA-N 355.482 3.425 0 1 FGAF COc1ccc2c(c1)c(O)c(C(=S)N(C)c1ccccc1)c(=O)n2C 3813669 GXRTVNQUDJFETB-UHFFFAOYSA-N 354.431 3.065 0 1 FGAF CC=C1CN2[C@H]3C[C@H]1[C@@H]1[C@H]2C[C@@]2(C3=Nc3ccc(OC)cc32)[C@@H]1OC(C)=O 2356410017 ZCVCMEPRSGMRMX-HNMNHFHGSA-N 364.445 3.003 0 1 FGAF CCOC(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 103216318 RJPNOAAYSWJKBP-UHFFFAOYSA-N 372.417 3.299 0 1 FGAF CCN(CC)CCO[C@H]1CC[C@H]([C@H]2CC[C@](O)(CC(=O)O)CC2)CC1 101316635 OBCATBMPBPNOEP-IFEOJCLHSA-N 355.519 3.300 0 1 FGAF Cc1cnccc1NC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 100013291 ZUQASRDHASANQE-UHFFFAOYSA-N 372.384 3.047 0 1 FGAF COc1cccc(-c2cccc(-c3ccn(C[C@@H]4COCCO4)n3)c2)n1 20149084 RQVGISPRXJZNHU-QGZVFWFLSA-N 351.406 3.036 0 1 FGAF COc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1 66258298 MXQPVUOHIDIHQP-UHFFFAOYSA-N 359.499 3.063 0 1 FGAF CCc1ccc([C@H]2CN3C(=O)CNC(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2130247 BDOLZUDTDNAFKZ-UZUQRXQVSA-N 373.456 3.049 0 1 FGAF biogenic COc1cc2ncnc(N3C[C@H](c4ccccc4)C[C@@H](O)C3)c2cc1OC 38279055 YJWMDLBLDAPTCW-HZPDHXFCSA-N 365.433 3.002 0 1 FGAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1ccccc1 49036850 PHPQEIFINWDHDD-CVEARBPZSA-N 367.836 3.123 0 1 FGAF COc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)ccc1O 49785531 JGOMOURYXGBGLP-OAHLLOKOSA-N 372.421 3.208 0 1 FGAF CC(C)c1ccc2occ(/C=C3/SC(=O)N(CC(=O)O)C3=O)c(=O)c2c1 40402432 WGCTVQMPMURMOT-MKMNVTDBSA-N 373.386 3.037 0 1 FGAF CCn1ncc2ccc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)cc21 142961752 CURQZBAZBSHDSQ-UHFFFAOYSA-N 360.377 3.023 0 1 FGAF CCC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)CC2=O 95558164 NLJJOTGYCMIKLM-INIZCTEOSA-N 372.373 3.431 0 1 FGAF C[C@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ccccn1 473155181 PVGOQRJICUIPTG-JTQLQIEISA-N 362.769 3.258 0 1 FGAF COc1ccc(Cc2nc3cc(C(C)=O)ccc3n2CCN(C)C)cc1 299831900 OVVPGTMZVWUUAN-UHFFFAOYSA-N 351.450 3.400 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCS(C)(=O)=O 587859168 GLCFLWYRGGTQCI-UHFFFAOYSA-N 363.266 3.300 0 1 FGAF COC[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614011 ZYOWOGLVDNWPCM-WIYYLYMNSA-N 370.401 3.166 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Cl)cn1 587650101 WVXPYBZPRQXRTP-UHFFFAOYSA-N 363.826 3.181 0 1 FGAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)nc2[nH]1 587052762 LNADCNTXZUKLJG-SECBINFHSA-N 367.634 3.322 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(C(F)(F)F)ccc21 587382917 PQVUNMQUHDQDFE-QGZVFWFLSA-N 362.307 3.409 0 1 FGAF COc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1OC 587008268 KSGPCSFNHSNQAB-UHFFFAOYSA-N 374.198 3.052 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NC(C)C 587857893 BYBYEJKVHYMSCN-UHFFFAOYSA-N 370.236 3.420 0 1 FGAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(O)nc(S)nc2[nH]1 587075188 FQOGXPCMDXFDEL-UHFFFAOYSA-N 358.814 3.162 0 1 FGAF O=C(O)c1cc(F)cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165507 XWPZXIGQQKGVNW-UHFFFAOYSA-N 354.316 3.451 0 1 FGAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncnc(N)c2[nH]1 586980957 HOUJMEWHBQIPTQ-UHFFFAOYSA-N 369.226 3.464 0 1 FGAF CCn1ncc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587390877 JURNYBQEGSLMIU-AQKVLALTSA-N 354.454 3.038 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccccc12 587596226 PWDRONMYPGYQDT-LAUBAEHRSA-N 359.337 3.201 0 1 FGAF Cc1cnc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962952541 IRMSTOFOXACSBA-HNNXBMFYSA-N 351.372 3.478 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@](C)(c3ccncc3Br)c3cccc1c32 963038611 ZJZCXOKDRRRMQQ-VOJFVSQTSA-N 372.266 3.161 0 1 FGAF O=S(=O)(CCc1cccc(Cl)c1)n1c(O)nc2ccc(Cl)cc21 1772577459 CFHKCHYUZRXLQZ-UHFFFAOYSA-N 371.245 3.469 0 1 FGAF COc1cccc(-c2cn(-c3ccc(CCO)cc3)c3ncnc(N)c23)c1 13538655 PRDZKYMHQSMGSE-UHFFFAOYSA-N 360.417 3.213 0 1 FGAF O=C(Nc1ccc2c(c1)OCO2)c1scnc1CCc1ccncc1 14946564 UHBAGGNPCCDGLV-UHFFFAOYSA-N 353.403 3.304 0 1 FGAF COC[C@@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)C1 14956055 KMLJLHKXSNLZDB-LLVKDONJSA-N 368.792 3.155 0 3 FGAF CCCCC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622148 QJADFBZNTPJMDY-CLQOMRTCSA-N 352.471 3.251 0 1 FGAF COc1ccc([C@H]2C(c3nn[nH]n3)=C(N)Oc3ccc4ccccc4c32)cc1 1857549249 XQHCYDHAXLARGU-QGZVFWFLSA-N 371.400 3.213 0 1 FGAF O=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c2ccccc12 136861256 WZMUHFVSOAQMFA-UHFFFAOYSA-N 350.399 3.482 0 1 FGAF Cn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21 2011708 DWLMLPCWSGBXMZ-UHFFFAOYSA-N 355.397 3.237 0 1 FGAF COc1cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc(OC)c1OC 2468472 HBJZWPUJXAUVIO-XOBRGWDASA-N 370.405 3.482 0 1 FGAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(C)cc1Cl 28637248 BANYPWGZBGTWFD-HNNXBMFYSA-N 357.859 3.432 0 1 FGAF COc1cc(OC)cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1 100979099 AZXKWXPHQAJYEW-IAGOWNOFSA-N 370.449 3.222 0 1 FGAF COc1ccc(C2=NN(C3CCOCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 26568998 LDQZVKGBHAZGGR-IRXDYDNUSA-N 370.449 3.012 0 1 FGAF COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)c1F 61907650 GIRMKQGTQUZTKS-FQEVSTJZSA-N 372.396 3.166 0 3 FGAF Cn1cc(-c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2)cn1 117569192 BQCBWCAJXUXWIA-UHFFFAOYSA-N 358.405 3.352 0 1 FGAF NS(=O)(=O)c1ccc(NC(=O)CCCCC(F)(F)C(F)(F)F)cc1 28259556 BVZUKTHZFLQPCK-UHFFFAOYSA-N 374.331 3.031 0 1 FGAF CCCCC[C@@H](O)C[C@H](CCc1cc(OC)c(O)cc1CO)OC(C)=O 2356428162 ZZYCHYCROSQANS-MSOLQXFVSA-N 368.470 3.089 0 1 FGAF C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075228 HOFYLOQXOAWJEX-UCNVEGJOSA-N 351.494 3.271 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CO2)Oc2c(ccc3occc23)[C@H]1O 15150788 ZVEDKPGZOXEGTK-GUDVDZBRSA-N 354.358 3.421 0 1 FGAF biogenic COc1cccc(-c2cn(-c3ccc(CC(=O)O)cc3)c3ncnc(N)c23)c1 40892418 RITVGOCDMOWMEO-UHFFFAOYSA-N 374.400 3.305 0 1 FGAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2cccc3ccccc23)c1 87612946 FVTTUMZIKPMLHV-UHFFFAOYSA-N 357.417 3.446 0 1 FGAF Cc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2)c(C)c1CC(=O)O 141740956 IORFCMNGJPKDCG-UHFFFAOYSA-N 363.417 3.428 0 1 FGAF O=C1NC2=C(CNC/C2=C\c2ccc(F)cc2)[C@H](c2ccc(F)cc2)N1 96270589 XYXCMPQYKULDMW-MXHVWWQHSA-N 353.372 3.260 0 1 FGAF COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1 653833465 ZSFMXCOTHLFJEM-OAHLLOKOSA-N 353.422 3.074 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(F)cc(Br)c2[nH]1 587256483 JRELOEDHVKKZAW-SNVBAGLBSA-N 372.238 3.066 0 1 FGAF COc1ccccc1CNC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587387117 NHSWRRXOOMYKLA-NRFANRHFSA-N 368.433 3.016 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN(C)C)c1)[C@@H](C2)C3=O 587427686 FCPJEWUEWGZQNB-HRAATJIYSA-N 353.418 3.254 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1c(F)cncc1Br)[C@@H](C2)C3=O 587430209 ZINBYQWCEZMFDH-FVMDXXJSSA-N 364.170 3.481 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587385939 GAIRPMKTTSWNDM-NRFANRHFSA-N 368.433 3.067 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccc(OC)c3)[nH]c2c1 587930431 FTTHINVAALFGHT-UHFFFAOYSA-N 373.478 3.193 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1CCN(CC1)C2 587588089 JINLGONGUUDDOP-WIYYLYMNSA-N 351.402 3.208 0 1 FGAF COC(=O)[C@H](C)[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514743 JPPQYMQHHCIINK-YEJXKQKISA-N 366.417 3.025 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3C)N1 587757639 HFJRIEMKZOHVMR-BTDLBPIBSA-N 364.262 3.436 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCOCC2)N1 587767009 PXBUZPSRCUHHPA-BDJLRTHQSA-N 371.294 3.274 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]ccnc2-3)N1 587808593 ZVQZANPSSOXLIZ-RMLUDKJBSA-N 361.218 3.435 0 1 FGAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587074926 AVWBVAYYUOJOSE-UHFFFAOYSA-N 353.769 3.251 0 1 FGAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 587764799 RAXOURAEQDHEPH-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF COC(=O)c1cc(Cl)ccc1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962915069 TTXGZRNUMHFSMC-LJQANCHMSA-N 361.873 3.393 0 1 FGAF Cc1c(O)ccc2c1[C@@]1(CCSc3c(F)cccc31)N[C@H](C(=O)O)C2 963471104 MPRNDQCXAGHJRZ-LIRRHRJNSA-N 359.422 3.178 0 1 FGAF Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)s1 12091922 WGGRMTHKRDAQML-OAHLLOKOSA-N 360.454 3.251 0 3 FGAF CCCCC/C=C\C[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCC(=O)O 13328428 ZOCFIYOANZRNDX-LODUWEDZSA-N 354.487 3.043 0 1 FGAF CCOP(=O)(CCCCCCCn1cc(C)c(=O)[nH]c1=O)OCC 13558090 FGYZBQWFSATNPM-UHFFFAOYSA-N 360.391 3.062 0 1 FGAF CC(=O)Nc1cccc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc12 13602389 SYZDITDRCXPOLE-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF CN(CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN1CCCC1 19365725 SLSHWIBRFKMJGT-UHFFFAOYSA-N 358.357 3.495 0 1 FGAF COc1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 6577305 OGQMMDLBUHSAHH-UHFFFAOYSA-N 373.434 3.017 0 3 FGAF aggregator CC(C)NCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1cccs1 7002570 DVQRWQWDLCIXKX-IAGOWNOFSA-N 358.463 3.111 0 1 FGAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64453882 JOYKNBJATCNRQR-FTRWYGJKSA-N 374.400 3.000 0 1 FGAF CC1(C)OC(=O)C(Nc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 26956549 BWWGQVVECVBFOE-UHFFFAOYSA-N 357.431 3.249 0 1 FGAF CC(=O)Oc1cc2c(c(Cl)c1OC(C)=O)CCNC[C@H]2c1ccccc1 27107610 OKLSTTFHEBNKCC-KRWDZBQOSA-N 373.836 3.468 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12 26579279 LPEMRCKRZGMAJN-COPBIKPMSA-N 364.482 3.254 0 1 FGAF COC(=O)C=C1C[C@@H]2[C@H]3O[C@H]1O[C@@]31CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]21 2356782456 FEYZLWQQBSLKES-VLZNUZSQSA-N 360.450 3.021 0 1 FGAF CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CC3)c2)CO1 66251968 GHUVAPYJQXSCJI-UHFFFAOYSA-N 361.482 3.313 0 1 FGAF Cn1ncc2ccc(Nc3nccc(-c4ccc5c(c4)c(N)nn5C)n3)cc21 45302843 VORLETARIHEPRV-UHFFFAOYSA-N 370.420 3.243 0 1 FGAF C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@@]2(OC)CC1=O 43781640 YVRYZXAHRGGELT-QRMPHRBRSA-N 372.417 3.326 0 1 FGAF CCc1ccc2c(c1)[C@@H](C1CCCCC1)N(C(=O)CNC[C@@H](C)O)CC2 140423690 QRYHDRUOOQPWFE-OPAMFIHVSA-N 358.526 3.226 0 1 FGAF COc1ccc2c(=O)c(/C=C/C(=O)NCCc3ccccc3F)coc2c1 95586495 YYTBJEGABSEEGT-RMKNXTFCSA-N 367.376 3.313 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1OC(=O)[C@@](C)(O)[C@@H]12 238733795 OCPGSVYCKLXPSO-RYKLGWBPSA-N 362.510 3.293 0 1 FGAF COc1ccc(/C=C(\Cl)C(=O)Nn2c(C)nc3ccccc3c2=O)cc1 98084835 UZYWCEURNLZXFW-WJDWOHSUSA-N 369.808 3.064 0 1 FGAF NS(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587110092 RYMFYJZBYHOAQX-UHFFFAOYSA-N 359.304 3.035 0 1 FGAF COc1cc2c3c(c1)O[C@@H](C1CCN(Cc4cccnc4)CC1)[C@@H](C2)C3=O 587444883 RUAQMYMHEHHMFG-AVRDEDQJSA-N 364.445 3.118 0 1 FGAF COc1cncc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029425 OLPIBCHLBBPORE-UHFFFAOYSA-N 362.418 3.488 0 1 FGAF CCOC(=O)[C@@H](CC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522056 FVBNEFTXMYAIFM-DYESRHJHSA-N 358.434 3.448 0 1 FGAF COC(=O)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587806004 IHLHPXOFRPTRQH-XIZWVBILSA-N 356.235 3.291 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1csc(Br)n1)[C@@H](C2)C3=O 587453788 ZCUXOYQPQAMBBV-SDBXPKJASA-N 352.209 3.403 0 1 FGAF O=C(O)c1ccccc1/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1 586879862 NYXNDKCIHHJLDD-VURMDHGXSA-N 363.417 3.264 0 1 FGAF COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984206 OHMQQBHXDFCAHF-ZDUSSCGKSA-N 374.238 3.355 0 1 FGAF CN1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593529 KDDRCPOSQUHVOL-UYELDUJUSA-N 351.402 3.349 0 1 FGAF CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)n2nnnc2N1 13123524 PUZBXPQQXUOTIZ-CQSZACIVSA-N 372.841 3.316 0 3 FGAF Cc1cc(NC(=O)[C@H]2CCCO2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 169301297 GPSCHCFBKYKZKJ-ILZDJORESA-N 357.498 3.176 0 1 FGAF O=C(O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243518 XEYOWMBOBIBKKD-UHFFFAOYSA-N 360.749 3.489 0 1 FGAF CC(C)N(C(=O)C12[C@H]3C4C5[C@@H]3C1(C(=O)N(C(C)C)C(C)C)[C@H]5[C@H]42)C(C)C 102940195 GJEVPNNDIBPZIY-SXKJSMNFSA-N 358.526 3.015 0 1 FGAF COc1ccc(-n2c([S@](C)=O)nc3sc4c(c3c2=O)CCCC4)cc1 28948814 JTICVMLNMSIUIE-RUZDIDTESA-N 374.487 3.072 0 1 FGAF O=C(OCC(F)F)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]2[C@H]1O 66058953 ZCNRJTCARJCSHT-FEFVAOQBSA-N 366.404 3.254 0 1 FGAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(CO)cc3CC[C@@H]21 117625235 RNZCSUKLFTVERS-NQIIRXRSSA-N 361.445 3.390 0 1 FGAF CC(C)OP(=O)(COCCn1cnc2c(S)ncnc21)OC(C)C 26175001 JPRGTXBJTQOKDC-UHFFFAOYSA-N 374.403 3.132 0 1 FGAF COc1cc([C@@H]2CN=C(c3ccc4nc[nH]c4c3)O2)cc(OC)c1OC 27525955 WXBHEIWVWDNKLW-KRWDZBQOSA-N 353.378 3.107 0 1 FGAF Cc1noc(C)c1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356764409 FWXGOVZQFAUWDF-RUOSDFBUSA-N 369.509 3.256 0 1 FGAF C[C@@H]1CN2[C@H]3[C@H]4CC[C@@]35CCC[C@H]5[C@@]3(CCC(=O)O)[C@H]2[C@@]1(O)CC[C@]43C 2356783958 MUGPALRHVRSORL-UZWSWNHRSA-N 359.510 3.281 0 1 FGAF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCCN2C(=O)CO 36080171 LIKBOJNXLDAXPE-SECQQYICSA-N 363.542 3.353 0 1 FGAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccccn1 199358258 SCOABPYJNBQCIJ-QGZVFWFLSA-N 357.841 3.046 0 3 FGAF CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccco1 25428230 SEUCFFWPLINLFB-AEFFLSMTSA-N 354.450 3.474 0 1 FGAF biogenic Cc1cc(O)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] 43059354 BGONVLBSQAQMAS-UHFFFAOYSA-N 356.328 3.092 0 1 FGAF COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 473153108 YSGQXZGDFDFWGM-UHFFFAOYSA-N 352.478 3.018 0 1 FGAF Cn1cccc1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661977 VOWHPVYFERIGPO-UHFFFAOYSA-N 361.376 3.424 0 1 FGAF C[C@H]1CCO[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657130 WECHJHZZJRPNNK-BBATYDOGSA-N 370.355 3.407 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)O)nn4ccccc14)[C@@H](C2)C3=O 587436799 UBPMUAADXATLTC-ORAYPTAESA-N 364.401 3.059 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@@H](C)Oc1cccnc1)O2 587387920 UVGWVJXDGWQPBE-NSNUGFSXSA-N 367.449 3.219 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(N(C)C)cc1)O2 587386782 KMGKPSOVAKJULC-NRFANRHFSA-N 367.449 3.396 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2O)N1 587774593 WVVSXAWYEYBXET-JDNHERCYSA-N 351.219 3.487 0 1 FGAF CCc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582796 RCIXXDHDVIAPKU-FXAWDEMLSA-N 350.374 3.391 0 1 FGAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587052106 ZACDCCDCLITCHM-UHFFFAOYSA-N 365.224 3.285 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(OC)cc(OC)c41)[C@@H](C2)C3=O 587454603 UWSPVLWSXFBRPN-LHSJRXKWSA-N 368.385 3.138 0 1 FGAF CCCOc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br 587043818 NNNVBTAFHLJDMZ-NSHDSACASA-N 370.272 3.018 0 1 FGAF COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)c(OC)c1 584905042 YOEFXWPAQVJLHB-UHFFFAOYSA-N 362.393 3.186 0 1 FGAF in-vitro CCn1cnc(Cl)c1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759676 CPMPASAWYRVMQI-VXGBXAGGSA-N 357.763 3.292 0 1 FGAF CC(C)c1nn(C)c2c1[C@H](c1c[nH]c3nccc(Br)c13)NCC2 962921399 NNDWKGWDGVKESH-INIZCTEOSA-N 374.286 3.417 0 1 FGAF CCc1ccnc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962978579 RZKUYDSINXHAJV-CJNGLKHVSA-N 352.768 3.264 0 1 FGAF CCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(Cc2ccccc2)c1 13743785 CCFQAVYEIAXPFW-FQEVSTJZSA-N 370.493 3.364 0 1 FGAF Cc1ncc2c(c1-c1noc(COc3ccc(F)c(Cl)c3)n1)CCNC2 19632880 BNHDCBMJBXWIEX-UHFFFAOYSA-N 374.803 3.457 0 1 FGAF COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1OC 2356415378 IWYVMUDIEOXASM-UHFFFAOYSA-N 352.342 3.105 0 1 FGAF COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)c1 4239199 FOGFIDUEISRPNV-UHFFFAOYSA-N 359.389 3.143 0 1 FGAF CCCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C 103215058 WQUALCCVUVMDML-ZFWWWQNUSA-N 368.865 3.385 0 1 FGAF O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccnc3)cc1n2C1CC1 9132754 XFFNZYGEEVRMSC-UHFFFAOYSA-N 353.378 3.441 0 1 FGAF COc1ccc(C)n2nc(CCc3nc(-c4ccc(C)o4)cn3C)nc12 117862049 PWJGLZROQXJBOI-UHFFFAOYSA-N 351.410 3.133 0 1 FGAF COc1ccc(-n2nc(C)n(CCSc3ccc(F)cc3)c2=O)cc1 58506244 SHOVYMDWRMQQTH-UHFFFAOYSA-N 359.426 3.282 0 1 FGAF O=C(NCc1ccccc1)c1c(NO)cc(-c2ccc(F)cc2)oc1=O 103238518 ZHNLYPOSKTWBLT-UHFFFAOYSA-N 354.337 3.177 0 1 FGAF COc1cccc2c1CCCN1C(=O)[C@@H](Oc3ccccc3)[C@]21SC 29402848 FGJDWDNWQQWFBG-UYAOXDASSA-N 355.459 3.447 0 1 FGAF COc1ccc(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2356464806 UCNJLHOIWUZLRK-JOCHJYFZSA-N 364.445 3.341 0 1 FGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356494902 WOBJBCXZAWGJTK-SCTDSRPQSA-N 360.571 3.025 0 1 FGAF COc1cccc2c(S(=O)(=O)c3ccccc3)cn(CCN(C)C)c12 28396176 DRARBNUNJCIZLZ-UHFFFAOYSA-N 358.463 3.044 0 1 FGAF COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 82152070 ICWMEFKDFYDGKC-UHFFFAOYSA-N 372.444 3.357 0 1 FGAF O=C1COc2ccc(C3=Nn4ccnc4S[C@H]3c3ccccc3)cc2N1 82149490 LPNILISJTWTRLC-SFHVURJKSA-N 362.414 3.313 0 1 FGAF CC(C)n1nc(-c2cnc3[nH]cc(Cl)c3c2)cc1C1CN(C2COC2)C1 146507811 TXJYENOSSBOFJV-UHFFFAOYSA-N 371.872 3.459 0 1 FGAF CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C1=C1OC(=O)C(C)=C1[C@@H]2OC(=O)C(C)C 238750489 LTPAHBQBRCYXSN-QSYXYHNKSA-N 362.422 3.063 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52C)[C@]63O)CC[C@@H]41 238751226 LRXSXOUROHJARD-ANPMZTDTSA-N 369.505 3.129 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2OC/C(=C\CCCC(=O)O)[C@@H]12 618012602 QYRCPOHMWROZQI-YUDAOCEWSA-N 352.471 3.061 0 1 FGAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12C1CC1 299829425 USAWBAPUMNWUSQ-FQEVSTJZSA-N 354.356 3.139 0 1 FGAF COc1ncc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587371656 MGGWBNFXEMNIJA-CQSZACIVSA-N 363.211 3.450 0 1 FGAF COc1cc(NC(C)=O)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587389272 JTNGLNBSHKTKOY-HXUWFJFHSA-N 354.406 3.425 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)O2 587398057 AHDOSGBNVPIKRS-ODXCJYRJSA-N 355.390 3.310 0 1 FGAF CCS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 586904673 YDFXFBWXTMCKQW-CQSZACIVSA-N 360.435 3.295 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)n2cncn2)N1 587756778 FLZLSBMQGFYDMW-HWPZZCPQSA-N 367.266 3.364 0 1 FGAF Ic1cncc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587186027 YSSDZGMHJILDGN-UHFFFAOYSA-N 361.146 3.106 0 1 FGAF CN(C)/C=C/[C@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517555 PQHDQIGABHYYRI-ZOXUKVPXSA-N 351.450 3.235 0 1 FGAF CCCCc1cc(=O)oc2cc(OCc3nc4ncc[nH]c-4n3)ccc12 586919261 YIUXQOKOHPERBT-UHFFFAOYSA-N 350.378 3.333 0 1 FGAF COC(=O)C(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587108314 ZEPTYHUXRGOHRI-HNNXBMFYSA-N 357.365 3.218 0 1 FGAF Oc1ncnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985210 SKBOEORQVLALSM-CYBMUJFWSA-N 374.242 3.006 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)ccc(F)c21 587469689 BVDOXPJFHMFHLP-LJQANCHMSA-N 359.328 3.436 0 1 FGAF COc1ccc(/C=C/c2ccc3c(O)nc(O)nc3n2)cc1Br 587366958 RRIUGJPVKFWFJX-DUXPYHPUSA-N 374.194 3.378 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)n2cncn2)N1 587756805 FLZLSBMQGFYDMW-QLJPJBMISA-N 367.266 3.364 0 1 FGAF Clc1ccc2nc(-c3cncc(I)c3)[nH]c2n1 587184268 HJWQWZOCJBXDFD-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@]12NCC(C)(C)c1ccc3c(c12)OCO3 963389602 CIGBNNMPOPGNNG-QTPGKHNVSA-N 357.450 3.267 0 1 FGAF CNC(=O)N1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ncccc2-4)CC1 1772573233 OUQZWDMWFQRIRF-UHFFFAOYSA-N 374.448 3.003 0 1 FGAF COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)CCc2ccccn2)C1 11938633 TYDWRTSTNMCAAP-HNNXBMFYSA-N 370.424 3.283 0 3 FGAF O=C(CCCCOc1cccc(Br)c1)N[C@H]1CCSC1=O 1857653731 YXDQNVZRRGTPNR-ZDUSSCGKSA-N 372.284 3.147 0 1 FGAF CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 3006220 DLKJQYDLYJSKNL-LJQANCHMSA-N 361.511 3.319 0 1 FGAF CCOC(=O)C1CCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 8597012 SZLMHIMSYRNZDI-UHFFFAOYSA-N 351.406 3.131 0 1 FGAF NC(=O)c1ccc2[nH]c(-c3ccc(O[C@H]4CC[C@@H](CO)CC4)cc3)nc2c1 101121172 PKRGVSAGNQDZDA-SAZUREKKSA-N 365.433 3.259 0 1 FGAF O=C(CCc1ncc(-c2ccc(O)cn2)s1)Nc1ccccc1C(=O)O 28863456 OEBJSJTWLHQHSH-UHFFFAOYSA-N 369.402 3.180 0 1 FGAF COc1cc(C[C@H]2NCC[C@H]3C=C(O)C(O)=C(F)[C@@H]32)cc(OC)c1OC 100986074 ZSESSFIOOIMOHZ-OZVIIMIRSA-N 365.401 3.044 0 1 FGAF COc1ccccc1-c1cccc(CN2CCN(c3ncccn3)CC2)c1 26163285 ZTGUCZSPLRNTRO-UHFFFAOYSA-N 360.461 3.474 0 1 FGAF CCN1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O 71294283 LFWNCDNFYFPIPT-UHFFFAOYSA-N 363.417 3.477 0 1 FGAF N[C@@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@H]1c1cc(F)c(F)cc1F 36310970 VMMSXEPJIRGODV-KBXCAEBGSA-N 370.378 3.492 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 71756190 GMVPRGQOIOIIMI-RGCXVPNTSA-N 354.487 3.475 0 1 FGAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)O)s2)c1)C(=O)O 45350433 ARDGAYSKDMGALL-SECBINFHSA-N 360.218 3.375 0 1 FGAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220201269 GXKIVKDALCGWBS-QGZVFWFLSA-N 368.824 3.128 0 1 FGAF C[C@@H]1[C@@H](NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)CCC[C@H]1C 225077931 AWEVTXRSEHXXIP-WWGRRREGSA-N 353.422 3.084 0 1 FGAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCCc1ccccc1 49067093 LIKCXFMZKWEGDK-JOCHJYFZSA-N 351.446 3.396 0 1 FGAF Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)cc2)n1 49112842 DDBOMNKUQLLIBU-UHFFFAOYSA-N 365.414 3.304 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC(C)(C)C)[C@H]3C2=O)cc1 25410474 BNMIRIAPRHBQIM-SJLPKXTDSA-N 371.481 3.272 0 1 FGAF biogenic COc1ccc(/C=C(/C(=O)O)c2cc(OC)c(OC)c(OC)c2)cc1OC 95590387 KNRMRIMTLVISFI-RIYZIHGNSA-N 374.389 3.355 0 1 FGAF COC(=O)C(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595827 UCFOHGQAXVMIMG-YWZLYKJASA-N 356.374 3.312 0 1 FGAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(F)cc3[nH]2)c1)N1CCC1 586956177 YJBSELXMBATXRC-UHFFFAOYSA-N 365.817 3.417 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C)CC3)o1)CC2=O 587475544 PIZAICZQHGTUGW-LJQANCHMSA-N 370.449 3.396 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C1/SCC(=O)N1C)(C(C)(C)C)[C@@H](C2)C3=O 587449561 BNSUVXFOEOGCNX-FMDQBMBESA-N 373.474 3.274 0 1 FGAF CCN1/C(=C\c2ccc3c(O)nc(O)nc3n2)Sc2ccc(OC)cc21 587563951 MGTBKEXMRWNEKQ-OVCLIPMQSA-N 368.418 3.375 0 1 FGAF Cc1ccc2c(ccc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c32)n1 586945643 JZIIUXUAPFLOEY-UHFFFAOYSA-N 370.434 3.037 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1 587228948 UOHQPSQTGPHBQS-UHFFFAOYSA-N 367.409 3.073 0 1 FGAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587256389 HMOOVUIIECJOPJ-SNVBAGLBSA-N 361.339 3.322 0 1 FGAF COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)oc12 586903773 MWSNACMRJPXJJJ-UHFFFAOYSA-N 363.329 3.128 0 1 FGAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4ccccc4c3N)[nH]c12 587253904 SFKXYRVLIVLMNL-UHFFFAOYSA-N 366.446 3.216 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc[nH]c2=N)N1 587707129 UFPAWOHQVDEHCB-INWYIAFRSA-N 371.641 3.068 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586960406 BROSCILAYVEEPE-SCSAIBSYSA-N 357.226 3.196 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(N)=O)cc2)N1 587750001 QYKQLPIGNNICDP-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF CC1=C(c2ccc3nc(CCOCc4ccccc4)[nH]c3c2)NNC(=O)C1 587566255 COFHOQNTLQLSMP-UHFFFAOYSA-N 362.433 3.078 0 1 FGAF O=CNC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579500 OKMJBJGQKRWWDR-HLLQZAQXSA-N 367.401 3.029 0 1 FGAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963098335 GMAMMIZSQHLFFW-LHSJRXKWSA-N 362.408 3.227 0 1 FGAF COc1ccc2[nH]c(C)cc(=NCC(=O)Nc3ccccc3OC)c2c1 1772622642 OFAYTMBPKNCACX-UHFFFAOYSA-N 351.406 3.033 0 1 FGAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(F)c(F)c3)ccc12 13677014 UIFCNPRCGLUVFM-UHFFFAOYSA-N 373.355 3.487 0 1 FGAF CCOC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc21 13757246 WUHMDZIZQDOZMA-UHFFFAOYSA-N 358.415 3.418 0 1 FGAF CC(=O)c1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cs1 19229417 SHUFSDWBZTYARG-IBGZPJMESA-N 358.507 3.020 0 3 FGAF CCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169713538 YJLVMNYHBPCQKV-WVONTNGXSA-N 358.526 3.378 0 1 FGAF C[C@H]1CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)[C@@H]1C 169729796 MIEAELCECWDDHK-ZENOOKHLSA-N 362.857 3.219 0 1 FGAF C/C=C/C(=O)Nc1ccc(CNc2cc(Nc3cnn(C)c3)ncn2)cc1 1857610285 MGQLDICELQMPIY-ONEGZZNKSA-N 363.425 3.080 0 1 FGAF Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccc(F)cc5)nc4n3)nc12 1857631657 STHVTZBYGXURQK-UHFFFAOYSA-N 359.368 3.257 0 1 FGAF Cc1cccc(C2=NN(C(=O)Cc3ccccc3)[C@@](O)(C(F)(F)F)C2)c1 1857752324 MRJOVZJZXDYQFT-SFHVURJKSA-N 362.351 3.425 0 1 FGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@H]1c1c[nH]c2ccccc12 2469378 ZFVNFLGVJXINGQ-WOJBJXKFSA-N 359.429 3.357 0 1 FGAF C[C@@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCCC1 2497643 LLNFGNPHTJFVFI-AWEZNQCLSA-N 370.449 3.042 0 1 FGAF CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1CCCOC 4878417 BRALNMLRUUSOBD-GJZGRUSLSA-N 368.547 3.149 0 3 FGAF C[C@]1(O)C[C@H](C(=O)O)[C@@H]2CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1 2356425901 MSGBRRFYWMOJJU-JQRWAZLNSA-N 362.422 3.162 0 1 FGAF O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2ccccn2)CC1 101446143 AHJOSYULWRUECL-GOSISDBHSA-N 350.466 3.110 0 1 FGAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(NC(C)=O)nc32)cc1 28877700 YTASMZCFICUUCM-UHFFFAOYSA-N 363.377 3.102 0 1 FGAF CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C(=O)C1(C)C 27846853 GNKOJRAAJLDGQP-LFGGLLRSSA-N 355.478 3.206 0 1 FGAF C[C@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(F)cc1 26009225 OPWPGDKELFUGTL-OALUTQOASA-N 360.816 3.471 0 1 FGAF C[C@@H](CCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 26251079 PSYDAFYPUVMSLN-LBPRGKRZSA-N 354.376 3.368 0 1 FGAF CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccccc1 28234326 DALGZLSXRXYXCT-UHFFFAOYSA-N 361.873 3.183 0 1 FGAF C[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 6488118 YBTZYMZAMUEVJB-GMTAPVOTSA-N 360.406 3.189 0 1 FGAF biogenic CS(=O)(=O)c1ccc([C@H]2SCCC(=O)N2C2CCCCC2)cc1 71295537 KYUMWHKUAXNXSN-QGZVFWFLSA-N 353.509 3.387 0 1 FGAF CC[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccccc2)C1=O 36382432 TUGFIPLVTUUNGM-MRXNPFEDSA-N 351.454 3.204 0 3 FGAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219955799 BMAOWSPJJLOKGM-DODZYUBVSA-N 360.491 3.235 0 1 FGAF in-vitro Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12 88345611 XKHASMAALGBCSO-LBPRGKRZSA-N 360.421 3.484 0 1 FGAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccsc3)c(=O)n21 82211757 JEJSTQVEYJPCFW-CYBMUJFWSA-N 374.510 3.099 0 1 FGAF C[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@H]1CO[C@H]2c1ccc2c(c1)OCO2 238762233 NFHFNBFYZIJLKZ-SORVUCRQSA-N 368.385 3.393 0 1 FGAF O=c1[nH]cccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12 96169781 OACSLTJBPBMQHG-UHFFFAOYSA-N 354.373 3.376 0 1 FGAF CCNC(=O)c1ccc(-c2nc3c(nc(NC)c4ncn(C)c43)s2)cc1 96258295 OIZIXVVNGKZDCY-UHFFFAOYSA-N 366.450 3.036 0 1 FGAF O=C(NCc1ccccc1)c1c(-c2ccccc2)n(O)c2ccccc2[n+]1=O 377829946 IEPFPNLBSAFUNO-UHFFFAOYSA-O 372.404 3.390 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)O)nn3ccccc13)O2 587394328 FDOIKNNOJWYBLJ-INIZCTEOSA-N 351.406 3.159 0 1 FGAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402791 HTRRQDMYMKBJOG-FQEVSTJZSA-N 355.390 3.311 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1csc(N(C)C(C)=O)n1)CC2=O 587497528 WZQSFEFASSQEAC-INIZCTEOSA-N 360.435 3.490 0 1 FGAF CCOc1cc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ncn1 587867949 FHHHFTRYDBYZBB-UHFFFAOYSA-N 365.315 3.150 0 1 FGAF COC(=O)/C=C(\C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810619 VEKSVTYWCDWASJ-OBAWYETJSA-N 356.235 3.457 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncnn3c2)N1 587789579 ACKDYYIDSBNOSM-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)c(Cl)cc41)[C@@H](C2)C3=O 587427458 IMGNACWTRLIKHY-XTZNXHDOSA-N 359.740 3.083 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1[C@@H]3CN[C@H]1C(=O)O 587105957 HUSXGAASZLQGOY-HCQWSFJTSA-N 370.408 3.149 0 1 FGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963184 XYSANFRXFFKPQH-SCSAIBSYSA-N 357.226 3.196 0 1 FGAF COc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1O 587786300 JYRSXYNVQBREDR-UHFFFAOYSA-N 363.377 3.003 0 1 FGAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cnc2[nH]1 587040706 ANOONVXFQUKBTJ-JTQLQIEISA-N 369.288 3.341 0 1 FGAF Cc1cc2c(cc1F)[C@H](c1ccc(OC(=O)c3ccnn3C)cc1)NCC2 962088340 FKOPFCYDRFFAMT-FQEVSTJZSA-N 365.408 3.322 0 1 FGAF COc1ccc2c(c1OC)[C@]1(CCC[C@@H]1C(=O)C(F)F)N(C)[C@H](C)C2 962634526 ULUAAQVMQJSDEJ-MJCKAROISA-N 353.409 3.410 0 1 FGAF COc1ccc(C(=O)N(OCc2ccccc2Cl)[C@@H](C)C(=O)O)cc1 1772634628 MUVMHVKVZRMZFV-LBPRGKRZSA-N 363.797 3.396 0 1 FGAF COC(=O)[C@]1(C)[C@@H](O)CC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 1772582594 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362.364 3.301 0 1 FGAF NC(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013404 VAFBPEQSFRJDJD-UHFFFAOYSA-N 363.240 3.425 0 1 FGAF C[C@]1(c2ccc(C(=O)O)c(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962907124 ZSHNZKOHEZNRLB-KBXCAEBGSA-N 363.772 3.040 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@H]([C@H]3CCN(Cc4ccccc4)C3)c3cccc1c32 963038644 XGLWUPJFKWVSQD-YZZKKUAISA-N 361.489 3.303 0 1 FGAF COc1ccc(CCNCCOc2cc(F)cc3c2OCCC3=O)cc1 12356182 NTUCKYNKXAWPFO-UHFFFAOYSA-N 359.397 3.011 0 1 FGAF CCCCC[C@H](O)CC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)O 12496277 LLQBSJQTCKVWTD-FPDBZQLZSA-N 356.503 3.267 0 1 FGAF endogenous,in-man CN(C)C[C@H](CSCCN)C(=O)c1ccc(OCc2ccccc2)cc1 13741932 KYKIJIXHKSKLSD-LJQANCHMSA-N 372.534 3.318 0 1 FGAF CO[C@@H](CN1CCN(c2ccccn2)CC1)[C@H](N=O)c1cccc(C)c1 169719703 WJBXZGTUKWEVIU-AZUAARDMSA-N 354.454 3.035 0 1 FGAF O=C(Cc1ccc2[nH]ccc2c1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857762062 SHDZUWIULZBHDM-UHFFFAOYSA-N 366.371 3.294 0 1 FGAF O=C(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 3815102 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CCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c2cccnc12 2455812 IKYNGDYLJPXXJM-UHFFFAOYSA-N 360.410 3.251 0 3 FGAF COCC[C@@H](CC1(C(=O)N[C@H](C)Cc2ccccc2)CCCC1)C(=O)O 28640485 WJHYMCIIUNXORJ-AEFFLSMTSA-N 361.482 3.422 0 1 FGAF COc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 64560389 PBGRARHEVYPEOU-SNVBAGLBSA-N 358.190 3.385 0 1 FGAF N[C@H](Cc1cc(F)ccc1F)C1CCN([C@H]2CCC[C@H](C(=O)O)C2)CC1 66075816 OUYYJIKUXWSIGZ-UCLAIMLFSA-N 366.452 3.190 0 1 FGAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356301631 CEDXGUYZQGRIQG-QFBILLFUSA-N 355.413 3.311 0 1 FGAF CC(C)OC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1 34601857 PPCXVMTVLKBCKY-UHFFFAOYSA-N 356.330 3.142 0 1 FGAF COCCc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 73314903 SOPZKOWZBMIAIY-UHFFFAOYSA-N 351.332 3.384 0 1 FGAF Cc1c2c(ccc3c(=NCc4ccc(C(C)(C)O)cc4)[nH]cnc32)nn1C 1911575770 ATIZZBTWIFKCAK-UHFFFAOYSA-N 361.449 3.086 0 1 FGAF CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 1911579679 ICSZCUWSMQZGCS-UHFFFAOYSA-N 366.826 3.090 0 1 FGAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(Br)cc34)nc12 72176617 BKSOSZGWKGCUBC-UHFFFAOYSA-N 358.199 3.410 0 1 FGAF CCc1ccccc1-c1cccc2sc(C(=O)NC[C@@H](N)C(=O)O)cc12 43009646 ZUPGUTSURDGFHW-MRXNPFEDSA-N 368.458 3.272 0 1 FGAF CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(O)cc3)C2)c1)C(=O)O 40937970 FWRDAAGGAAIUDI-OALUTQOASA-N 355.390 3.290 0 1 FGAF Cc1cc(Nc2cc(C(=O)NCCF)ccc2F)nc(-c2cccnc2)n1 220938095 UCCBGCAUQCJOBC-UHFFFAOYSA-N 369.375 3.429 0 1 FGAF O=C([C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1)N1CCCCC1 82072987 MOPJHTCCQLCXKQ-QGZVFWFLSA-N 369.490 3.427 0 1 FGAF CCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1)OCO3 84605434 JGDOVRWMYLCPKT-UHFFFAOYSA-N 371.389 3.164 0 1 FGAF CCCCN1CCC[C@@H]1C(=O)Nc1ccccc1I 96927322 BGJGBDOSSMXRQB-CQSZACIVSA-N 372.250 3.494 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 261183121 WNBMQMMGBBWUOZ-DBXYBTSZSA-N 366.498 3.340 0 1 FGAF in-vitro Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@H](O)c4ccccc43)nc-2[nH]1 586901750 HXXUKNSAAMSNJJ-HOTGVXAUSA-N 373.416 3.191 0 1 FGAF O=C(c1cscn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661651 QMDVDYSAYGQMIL-UHFFFAOYSA-N 351.362 3.348 0 1 FGAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4ccccc4cc3[nH]2)c1 586936550 RXORQKDLCGIHFA-UHFFFAOYSA-N 354.435 3.398 0 1 FGAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(CC(=O)c4cc(C)cc(N)c4O1)[C@H](C3)C2 587400877 TWJVFMWHLDONEK-MMYMDQIVSA-N 355.434 3.281 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@H](C)Oc1cccnc1)O2 587387925 UVGWVJXDGWQPBE-XALWEIJZSA-N 367.449 3.219 0 1 FGAF COC[C@@H](C)NC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863376 HWYPYRWRCMESEG-SNVBAGLBSA-N 373.400 3.335 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc[nH]c(=N)c21 587473518 WRJRXFWOLYTSNB-NRFANRHFSA-N 367.449 3.380 0 1 FGAF Clc1ncc2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2[nH]1 587029029 FYSLNGJAKDOQSS-UHFFFAOYSA-N 367.825 3.479 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1F)[C@@H](C2)C3=O 587425807 HVAZYHXSOLPENR-HRAATJIYSA-N 369.392 3.160 0 1 FGAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(CCO)cc3[nH]2)C(F)(F)C1 587132196 MNRLDMHSKFQNNC-LBPRGKRZSA-N 367.396 3.067 0 1 FGAF CCOC(=O)c1cnn(C)c1[C@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962953915 WRMLAZQGWLDOFI-SGTLLEGYSA-N 352.438 3.092 0 1 FGAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCC23CCOCC3)N1 962714800 VQUWQGMKAKZRBV-WMLDXEAASA-N 373.346 3.229 0 1 FGAF CC(C)c1nn(C)c2c1[C@@](C)(c1cnn(-c3ccc(F)cc3)c1)NCC2 962915135 UBNDKGPOOIANNL-HXUWFJFHSA-N 353.445 3.278 0 1 FGAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccccc1Cl)N1CCCC[C@@H]13 1772619636 YQBWPLJGMNZYTJ-ODTDCLSCSA-N 357.837 3.162 0 1 FGAF COc1ccc(CCNC(=O)Nc2ccc3snnc3c2)c(OC)c1 5152170 OHGOPNQGDRGEAW-UHFFFAOYSA-N 358.423 3.073 0 1 FGAF O=C1NC[C@@H](Cc2cccc3ccccc23)N(CC2CCCCC2)C1=O 13662246 YNFCGBPJBSYMQI-LJQANCHMSA-N 350.462 3.290 0 3 FGAF Cc1ccc(Cn2cc(COC(=O)N(C)Cc3ccccc3)nn2)cc1 203462383 SLWAUHGRUUROKZ-UHFFFAOYSA-N 350.422 3.403 0 3 FGAF O=C(/C=C/c1ccc(O)cc1)Nc1cccc(OCC2CCNCC2)c1 1857567016 ZVQMIDAZBHUTKM-RMKNXTFCSA-N 352.434 3.423 0 1 FGAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O[C@@H](C)CO)cc12 1857591926 HSCYSFVCRNINBQ-JESBJKIESA-N 368.477 3.068 0 1 FGAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4050127 PYHHITMSNPSEHN-VUHPKUFZSA-N 370.474 3.260 0 1 FGAF CS(=O)(=O)Nc1cc2c(cc1Cc1cccc(C(F)(F)F)c1)OCO2 29550944 QJEJGCXXPVHYTR-UHFFFAOYSA-N 373.352 3.396 0 1 FGAF COc1cccc2c1[C@H](c1ccc3c(c1)C(=O)C[C@](C)(O)C3)O[C@H]2OC 2356511087 XDJZKGNJUWDOAH-PWRODBHTSA-N 354.402 3.340 0 1 FGAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@](O)(CC[C@@]12C)[C@H]43 2356550086 BIOQITHAUXBDPF-FTYWIZMASA-N 371.521 3.147 0 1 FGAF COc1cccc2c1[C@H](OC)O[C@@H]2c1c(O)ccc2c1C(=O)C[C@@](C)(O)C2 2356664098 ICVWZBRYEUFULN-HBMCJLEFSA-N 370.401 3.045 0 1 FGAF CN1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 26572681 PSSMSADYPZZWDS-UHFFFAOYSA-N 350.466 3.246 0 1 FGAF O=C1c2ccc(NCCN3CCOCC3)cc2-c2nccc3cccc1c23 73351180 TXVNKMVOZYSYBG-UHFFFAOYSA-N 359.429 3.190 0 1 FGAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)ccc1F 71318754 CGXUKSVEFGRUGX-HNNXBMFYSA-N 351.337 3.079 0 1 FGAF Cc1ccccc1-c1nc(C(=O)NCC(=O)NCC2CCCCC2)co1 82071974 RZLMCOINTPZLTG-UHFFFAOYSA-N 355.438 3.076 0 1 FGAF CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1 82177922 DHAHXQOHZFLFLJ-HNNXBMFYSA-N 352.442 3.135 0 1 FGAF Oc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1C[C@H]2c1ccccc1 587560275 DSNFNDMWHVOEMD-HNNXBMFYSA-N 357.369 3.497 0 1 FGAF COc1ccc2c(c1)CC[C@](N)(c1nc3cncc(Br)c3[nH]1)C2 587246878 JIZLQQITHHQXSY-QGZVFWFLSA-N 373.254 3.072 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CC3C[C@H]2CN(C3)C1 587593003 ZVYWGXGCDAOHKK-KJNJDOPVSA-N 363.413 3.064 0 1 FGAF COC(=O)/C=C/c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441639 GISVBICZQMJKIO-OYZSAGPWSA-N 350.370 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCOCC4)s1)[C@@H](C2)C3=O 587453180 VLNXEOFFRGPPII-YWZLYKJASA-N 371.458 3.078 0 1 FGAF c1ccc([C@]2(C3CNC3)c3ccsc3CCN2Cc2ccco2)nc1 962706397 JDPUGLQMZDBQBD-FQEVSTJZSA-N 351.475 3.257 0 1 FGAF Cc1ccc(NC(=O)[C@@H](N=O)[C@]2(C)NCCc3ccc(O)cc32)c(C)c1 963327932 BMGMGRYHFYOGKB-UYAOXDASSA-N 353.422 3.144 0 1 FGAF O=c1cc(Cl)[nH]cc1NS(=O)(=O)c1cc(Cl)sc1Cl 223032305 YKWXLFLVIXAJLM-UHFFFAOYSA-N 359.643 3.197 0 1 FGAF CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Br)c1 13680761 LBPJPXOZNORXCN-UHFFFAOYSA-N 365.256 3.310 0 1 FGAF CCCn1c(=O)c2[nH]c(/C=C/c3cccc(F)c3)nc2n(CCC)c1=O 13826999 WKAOIIMNNQWXSP-CMDGGOBGSA-N 356.401 3.016 0 1 FGAF O=C(Cc1ccccc1)N1N=C(c2ccsc2)C[C@]1(O)C(F)(F)F 1857638484 LQNCTUDMUUBOKH-HNNXBMFYSA-N 354.353 3.178 0 1 FGAF CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1OC(=O)OCC 7992519 NPGAEJRNYJYPMA-PMPSAXMXSA-N 350.367 3.398 0 1 FGAF OCCN1CCN(CCCc2ccc3c(c2)Nc2ccccc2S3)CC1 22794856 NRSRFHXFNCAHJM-UHFFFAOYSA-N 369.534 3.437 0 1 FGAF COc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1OC 28969064 OUUWFZRARQRSAF-UHFFFAOYSA-N 369.849 3.420 0 1 FGAF O=C1CC(=O)N(CCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 102843867 RNQQXBVZRMSIAN-UHFFFAOYSA-N 370.836 3.306 0 1 FGAF CC(=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O)CO 2356530044 AROTXIUFXQZGLT-UHFFFAOYSA-N 354.358 3.058 0 1 FGAF COc1cccc(CC(=O)Nc2nc(-c3ccnc(OC)c3)cs2)c1 113834338 KVTIRZWDMYIMRI-UHFFFAOYSA-N 355.419 3.404 0 1 FGAF O=C(Cn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21)NC1CCCC1 29222925 WQOSPGXDWOHRHW-GOSISDBHSA-N 365.477 3.423 0 1 FGAF COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C[C@H]2C)cc1 72139395 OLMZXXONJXEDFB-AUUYWEPGSA-N 368.433 3.332 0 1 FGAF COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2NC(=O)C3)cc1 45386128 SKCATAJFICHYLV-UHFFFAOYSA-N 362.389 3.399 0 1 FGAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(N)n3)c2F)cn1 224559284 RKDQIXATBPYDRO-UHFFFAOYSA-N 352.373 3.297 0 1 FGAF Cn1cnc2c(NCCCO)nc(-c3cccc(-c4ccccc4)c3)nc21 49051611 QMOYFHWYOPGKGI-UHFFFAOYSA-N 359.433 3.492 0 1 FGAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1cccc(F)c1 95605487 GSNUILLOMDTHCS-QGZVFWFLSA-N 351.385 3.139 0 3 FGAF COc1nc(N2CCC(F)(F)CC2)nc(OC)c1NC(=O)CC(C)(C)C 473115526 UDMSEIUBTPBILD-UHFFFAOYSA-N 372.416 3.104 0 1 FGAF O=C(Nc1cccc(Br)n1)c1nc(Br)cs1 653786027 VXYDFUTUXVQYRC-UHFFFAOYSA-N 363.034 3.315 0 1 FGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(C)ccnc2[nH]1 586984431 MXVQLKBOWJFWKU-AWEZNQCLSA-N 373.254 3.449 0 1 FGAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441223 JLALIRDUHGRRHR-HYFFOGBASA-N 364.397 3.074 0 1 FGAF C[C@@]1(CCn2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343215 SCZXFYWCSCBMRZ-QUCCMNQESA-N 367.380 3.331 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CCOC)C(=O)OCC)CC2=O 587484558 SDBBEMDSLLEFJV-MGPUTAFESA-N 364.438 3.284 0 1 FGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586940260 YHUXYPJLDKKNSE-NSHDSACASA-N 373.434 3.035 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772646383 FQRUKUIMJXRNOI-HAQNSBGRSA-N 356.430 3.157 0 1 FGAF Oc1cc(-c2ccncn2)nc([C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 1772654002 OCWYAZZXMQCKSA-CXAGYDPISA-N 352.369 3.414 0 1 FGAF c1cc2nsnc2cc1CN1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 12433089 NRQOCFBRVZBJBR-HNNXBMFYSA-N 368.462 3.497 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)CC[C@]34C)[C@@H]1CC=C2n1ccnn1 169232166 ZUFRAOYETOFPFR-KZVLABISSA-N 354.498 3.498 0 1 FGAF COc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1 169327098 KONGZRYXSLUXFB-UHFFFAOYSA-N 363.502 3.122 0 1 FGAF CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@@H]13)O2 165569145 SBDWZBRKGCELCC-LXGFNABISA-N 355.434 3.015 0 1 FGAF N[C@@H]1CCCC[C@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 165814569 SULNOIBYGOBLSZ-ZIAGYGMSSA-N 360.824 3.494 0 1 FGAF COc1ccccc1C(=O)N[C@H]1CCCCN(Cc2ccccc2C)C1=O 200049831 DBBJTCUDIXOASI-IBGZPJMESA-N 366.461 3.315 0 3 FGAF CCS(=O)(=O)Nc1cc(-c2ccccc2Cl)cn2c(C)nnc12 1857570084 QWILNFMQJZCSRL-UHFFFAOYSA-N 350.831 3.120 0 1 FGAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccccc2)nc2ccc(C)cn12 1857592133 MOJQKAVDHDSCDQ-AWEZNQCLSA-N 350.422 3.423 0 1 FGAF Cc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NCC(C)C)n2c1 1857605614 QVRHWRDXCNYJOF-UHFFFAOYSA-N 368.412 3.420 0 1 FGAF CCOc1cc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c2cc1OCC 2976553 IGESMSJFNUYRDU-LLVKDONJSA-N 350.440 3.035 0 1 FGAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356337449 ZCTSKBWACUAFIA-CKFOBXNBSA-N 366.457 3.401 0 1 FGAF CCCN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114347058 JMRKPAKRFAWCSB-SFHVURJKSA-N 363.465 3.224 0 1 FGAF N[C@@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CCC1c2ccccc2Oc2ccccc21 26950981 MBCWMEYAVJTLQS-GRGSLBFTSA-N 367.401 3.063 0 1 FGAF CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)[C@@H](O)C=CC=C[C@@H]1C 2356450676 FREPAPPMSLOSTN-JUKXBMAYSA-N 366.498 3.050 0 1 FGAF C[C@@H](Cc1ccc2c(=O)ccoc2c1)CN1CCN(c2ccccn2)CC1 26575477 GAEYNNPPXXZZSP-KRWDZBQOSA-N 363.461 3.189 0 1 FGAF COC(=O)c1ccccc1OCC(=O)N(C)Cc1ccc(SC)cc1 7096720 KJQUOTLIFYUXML-UHFFFAOYSA-N 359.447 3.233 0 1 FGAF biogenic Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)cc1)C2 219337333 RWMCDPJSTPDLDR-LLVKDONJSA-N 367.840 3.416 0 1 FGAF Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)c(F)c3)n2)n1C(C)C 40848352 BPYCWQSOZDKONE-UHFFFAOYSA-N 354.389 3.211 0 1 FGAF COCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82141299 UJNQFARPRHQVKP-UHFFFAOYSA-N 358.417 3.013 0 1 FGAF CCNc1ncc(N2CC(Oc3ccc([C@@H](C)CC(C)=O)cc3)C2)cn1 96172835 HAGJULKAHPENJA-AWEZNQCLSA-N 354.454 3.259 0 1 FGAF COc1cc2nc(N3CCCC3)nc(NCCCCCCN)c2cc1OC 95493495 SSLZHVKGUWMSOW-UHFFFAOYSA-N 373.501 3.178 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3cccnc3)C2)O1 96018808 JGXSEIVKCCJWBI-FPOVZHCZSA-N 359.514 3.244 0 3 FGAF COc1cccc(-c2oc3c(c2C(=O)OCCN(C)C)[C@H](O)CCC3)c1 95599608 YGPFOCHNQHDEHJ-OAHLLOKOSA-N 359.422 3.043 0 3 FGAF COc1cc(CCNCc2cccnc2)c(OC)cc1Br 473110477 WDRUYBMUTNCXAP-UHFFFAOYSA-N 351.244 3.194 0 1 FGAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587934621 KHDOMHYTEUHSIP-UHFFFAOYSA-N 361.401 3.475 0 1 FGAF O=C1CN(c2ncccc2-c2nc(-c3cccc(Cl)c3)cs2)CCN1 587920787 OGBYYVDKOYNADT-UHFFFAOYSA-N 370.865 3.462 0 1 FGAF CCOC(=O)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438075 CBMYZQZUJIBQKW-VFNWGFHPSA-N 368.385 3.126 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2CCF)N1 587720711 UGLPPHZFUCGXSG-VFZGTOFNSA-N 356.214 3.378 0 1 FGAF COC(=O)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873671 KBWAJOBOGRPPMA-UHFFFAOYSA-N 368.320 3.301 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596150 UVKJTXCKIQKNLU-RRBXVBTKSA-N 354.358 3.066 0 1 FGAF Cn1cc(C(=O)c2ccccc2F)cc1[C@H]1NCCc2nc3ccccn3c21 962985442 OZJBVNQZZKCRLD-HXUWFJFHSA-N 374.419 3.278 0 1 FGAF Cc1c(O)ccc2c1[C@]1(CCCC[C@H]1C(=O)C(C)(C)C)N[C@H](C(=O)O)C2 963527569 PSCIXYKAIQKXGV-VFCRVFHLSA-N 359.466 3.300 0 1 FGAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)c2csnn2)C1 12386313 ZJTHSCYWLJGSBB-CQSZACIVSA-N 371.441 3.306 0 3 FGAF C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 15953787 DQXGFJGOBJYTOJ-AUUYWEPGSA-N 359.429 3.025 0 1 FGAF biogenic Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)o1 19773178 GJGCMPPDKYVXOR-UHFFFAOYSA-N 355.394 3.102 0 1 FGAF CC(C)(C)NC[C@H](O)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1 169319022 MMPMRNKXOAWZKC-LBPRGKRZSA-N 357.376 3.223 0 1 FGAF CN(CCO)Cc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)ccc23)o1 1857549743 UFGLYQYOVADYLY-UHFFFAOYSA-N 364.405 3.015 0 1 FGAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)[C@@H]1CCNC1 1857652383 OZJYGIBAAIHMDF-CQSZACIVSA-N 350.447 3.420 0 1 FGAF Cc1cccc(=O)n1CCCNC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857769404 BPIYVMAAHNWDHX-RTBURBONSA-N 356.441 3.242 0 1 FGAF O=C1C(=O)N(C(=O)NC2CCCCC2)c2ccc(Br)cc21 3154019 SNLWEMGFDFYZQU-UHFFFAOYSA-N 351.200 3.021 0 1 FGAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4036909 VVJSLQNHUWABLE-QUCCMNQESA-N 361.401 3.270 0 1 FGAF C[C@@H](SC(=S)N(C)C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 6491480 WLZKUZUIXOKTKB-MRVPVSSYSA-N 370.887 3.297 0 1 FGAF O=C(c1ccc(F)cc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356421403 JCEOQKOAHCGIAK-WMLDXEAASA-N 357.360 3.081 0 1 FGAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4cncnc4)C[C@@H]2N3)cc1 100108112 PQDQNYFYDRGGNI-NUNAXRQHSA-N 356.473 3.392 0 1 FGAF O=C1Nc2c(Cl)ccc(OCc3noc(O)n3)c2C2(CCCCC2)N1 28348475 FTTARRILKZGDNU-UHFFFAOYSA-N 364.789 3.302 0 1 FGAF CC(C)OC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccccc12 28117991 XGLSIIYQDMHTPT-UHFFFAOYSA-N 371.414 3.256 0 1 FGAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4cnccn4)C[C@@H]2N3)cc1 100108685 KIIKJNWTIJJZQY-KOUNCHBCSA-N 370.456 3.032 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100107175 SKTSGFPCNWXJJX-ACDBMABISA-N 353.441 3.352 0 1 FGAF CC(=O)c1ccc2c(c1)OC(C)(C)[C@H](O)[C@@H]2NC(=O)c1ccc(F)cc1 27518672 GQFPOKZKVWOPGW-QZTJIDSGSA-N 357.381 3.031 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1[C@@H](O)C=C2C1=CC(=O)OC1 118937398 LOUCJBIZSPLEFL-TXFRVOLJSA-N 372.505 3.380 0 1 FGAF endogenous,in-man COc1cc2ccc(=O)oc2cc1OCC=C(C)CC[C@@H](O)C(C)(C)O 2356480534 HNHWESMEELECRS-GOSISDBHSA-N 362.422 3.039 0 1 FGAF CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(Cl)cc1c2=O 61921377 CYPWDQKJOFWOTQ-CQSZACIVSA-N 354.797 3.019 0 3 FGAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(C)c2C)C1 36380828 PVCIFCJXYHWMGM-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF O=C(CCCCCCc1ccccc1)c1ncc(-c2c[nH]c(=O)[nH]c2=O)o1 35259966 IISRXOQGPNUEFV-UHFFFAOYSA-N 367.405 3.094 0 1 FGAF CCCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1 40956370 DUDMSPQMEYHILF-UHFFFAOYSA-N 367.453 3.228 0 1 FGAF CN1CC[C@@]2(CCCCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 49067991 TWEQQEGZOGODAN-SJORKVTESA-N 363.255 3.062 0 1 FGAF CN(C)[C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 84557158 SWUSXUHTTZKEQG-QGZVFWFLSA-N 355.825 3.423 0 1 FGAF COc1cccc(OC)c1-c1cnnc(NCc2nc3ccccc3[nH]2)n1 95581683 DEFWYQAPJGXEMQ-UHFFFAOYSA-N 362.393 3.044 0 1 FGAF COc1cccc([C@]2(OCC(F)(F)F)SC=C(C)n3c2noc3=O)c1 653905305 ZPIYDWZFLJYSJT-HNNXBMFYSA-N 374.340 3.190 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 586917004 QQBYRHAGOSFQJO-XOBRGWDASA-N 350.374 3.478 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2)N1 587827997 NEADZCRHIJQMAQ-DYZYQPBXSA-N 364.214 3.451 0 1 FGAF CCC[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C 587957031 YIEBNZXJUQDJOV-HNNXBMFYSA-N 365.499 3.124 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OCC)no1)CC2=O 587484477 PHXZYPXNFBELNZ-LJQANCHMSA-N 359.378 3.390 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587441809 HINOIMKACVQMHE-AVRDEDQJSA-N 365.429 3.195 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037671 WKWNQZKZMYWURK-ZDUSSCGKSA-N 352.462 3.250 0 1 FGAF COc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587772752 GUEICEYKBHCPIM-XLKFXECMSA-N 352.207 3.010 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3=C2COCO3)N1 587838785 PDONWICCWUIJAJ-JDNHERCYSA-N 354.219 3.370 0 1 FGAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2N1 587126164 WJUATZKHPIHNFL-MADCSZMMSA-N 365.315 3.432 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587447426 RWTKZEXEWAEVMB-HTAPYJJXSA-N 364.397 3.302 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(=N)[nH]c2)N1 587746142 LMYGTSYUGFBGLO-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF O=C(O)c1ccnc(-c2cn(CCN3Cc4cccc(Cl)c4C3)cn2)c1 225932630 BXYJBQPBSKKOAB-UHFFFAOYSA-N 368.824 3.313 0 1 FGAF CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@H](C)C(=O)C[C@@H]12 1772593594 SXIDZSBZEIYEMV-SWDCCWFVSA-N 366.454 3.247 0 1 FGAF Cc1[nH]c(=O)nc2s/c(=N/C3CCCCC3)n(C3CCCCC3)c(=O)c12 5891680 YQYIREHOOOWOJK-XUTLUUPISA-N 374.510 3.193 0 1 FGAF C=CC[C@]1(OC)C=C([C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 14417023 CDPCVAVRWKUUPZ-DYXDTQHNSA-N 372.417 3.086 0 1 FGAF biogenic COc1ccc2c(c1OC)[C@@H](OC)N1CCc3cc4c(cc3C1=C2)OCO4 14620415 BDTBYIJGOTZJPM-OAQYLSRUSA-N 367.401 3.447 0 1 FGAF biogenic C[C@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 14930291 YBTZYMZAMUEVJB-AXFHLTTASA-N 360.406 3.189 0 1 FGAF CC[C@@H]1C/C=C/Cc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 169299112 GQHJEOPNYJIXRG-QZGXVJKASA-N 358.434 3.099 0 1 FGAF Cc1cc(C)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(C)c1 167033272 JQDYSTZQRAOEAZ-RTBURBONSA-N 364.493 3.227 0 1 FGAF Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1)CS(=O)(=O)O2 1857586270 YQVMGFONKZYAKF-INIZCTEOSA-N 358.394 3.174 0 1 FGAF CN(CCNc1ncccn1)CCNc1ccnc2cc(Cl)ccc12 1857654264 KVRYHVSGGJZERF-UHFFFAOYSA-N 356.861 3.134 0 1 FGAF CCCCS(=O)(=O)/C=C/[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1S(=O)(=O)CCCC 2147368 JXCBAZUXWWKMNG-YQHAZJKSSA-N 360.541 3.121 0 1 FGAF Cn1c(=O)cc(SCC(=O)NCCc2ccsc2)c2ccccc21 2456144 GGWPODGCHCCAHR-UHFFFAOYSA-N 358.488 3.051 0 1 FGAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(-c2nnn[nH]2)c1 28373121 SKVDDXFAECGHTI-VLGSPTGOSA-N 369.841 3.215 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3ccc(C)cc3)CN1CC2 28821839 GERWSPQMPFXVPW-AABGKKOBSA-N 352.478 3.426 0 1 FGAF CCCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC 103216379 FRHNZONNLFZTKQ-SWLSCSKDSA-N 368.865 3.385 0 1 FGAF CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 26155501 LQODIDNDJRJZMH-MRXNPFEDSA-N 365.470 3.280 0 1 FGAF CC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 29562390 JPGXLBUXWAMJBG-FQEVSTJZSA-N 350.506 3.263 0 1 FGAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccncc4F)C[C@H]3F)[nH]c2c1 2356315312 NCIKUPPGUYQJFN-CRAIPNDOSA-N 358.392 3.145 0 1 FGAF O=S1(=O)N=C(O)CN1c1csc(-c2ccccc2)c1Br 28886828 UBVOPYWVCKFHOC-UHFFFAOYSA-N 373.253 3.199 0 1 FGAF OCCOc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335088 CIHPIJHUAGKONW-LJQANCHMSA-N 366.465 3.011 0 1 FGAF CC(C)=CCc1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O 14762912 HCLPXVZSJXUHTK-AWEZNQCLSA-N 356.374 3.377 0 1 FGAF biogenic Cc1ccc2nccn2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226050368 XJFBDCBGJMCQTF-ULQDDVLXSA-N 362.433 3.110 0 1 FGAF Cc1nc([C@@H]2C[C@H]2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 142996099 WSTOKKIZKSOHJV-ZIAGYGMSSA-N 363.400 3.269 0 1 FGAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3N=CNC(=O)[C@H]32)cc1 253918654 YCQVEVOYEWUITM-KNKQGSTJSA-N 358.397 3.473 0 1 FGAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C\Br)cc1)N2 253636161 PETAHELMBJGYJY-ZACVYEMVSA-N 350.256 3.449 0 1 FGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnsc4)ncc23)ccn1 261103675 GYVRJBVCBZQVCN-UHFFFAOYSA-N 365.422 3.107 0 1 FGAF COc1cccc(-c2cc(C(C)=O)n3ccc(N4CCOCC4)cc23)n1 653804994 LPHSSXDFRSJNNR-UHFFFAOYSA-N 351.406 3.049 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncncc32)N1 587778912 OUPAHYLKXOJSSL-DYZYQPBXSA-N 362.246 3.492 0 1 FGAF N[C@@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1F 587144186 IXZIHHNWROGYJU-NSHDSACASA-N 353.170 3.241 0 1 FGAF CCc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528896 FYTRFSLDABBZND-QFIPXVFZSA-N 352.430 3.299 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 586929851 BLCSNLXHOOHVPQ-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ncccn12 587588675 UKOTZRXPNAXBNL-LPHOPBHVSA-N 359.341 3.138 0 1 FGAF [O-][n+]1ccccc1SCc1nc2cc(Br)cc(F)c2[nH]1 586969577 MXFDDHBYCKNZPD-UHFFFAOYSA-N 354.204 3.390 0 1 FGAF COC(=O)[C@@H]1C=C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587810218 UDROWZPBOCRPIZ-RDGWCUKFSA-N 354.219 3.067 0 1 FGAF CN(C)CCOc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587122663 FZYGLKZGMVNTDP-UHFFFAOYSA-N 362.380 3.209 0 1 FGAF O=C(c1ccc(OC(F)F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651251 FXTOZHXFYKYCTH-UHFFFAOYSA-N 350.708 3.340 0 1 FGAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CCC(=O)[C@@H]3C)nc2c1 587963345 NFPZOOXEPOTCTN-BDAKNGLRSA-N 365.227 3.270 0 1 FGAF Clc1ccc(I)cc1-c1nc2cnncc2[nH]1 587183305 UDDZPIBGCMMKSB-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF O=C(N[C@@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1 587217256 BQKMBAXWAGUGKS-HNNXBMFYSA-N 363.808 3.477 0 1 FGAF NC(=O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136585 SGOKUTOGSGBHSK-UHFFFAOYSA-N 352.138 3.370 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080037 KHBLDHFEZKKTFY-CQSZACIVSA-N 350.783 3.139 0 1 FGAF COc1ccc(OC)c(Sc2cccc3nc4nc(N)[nH]c(N)c-4c23)c1 1772642982 TXHGXJGNQUMSBD-UHFFFAOYSA-N 367.434 3.396 0 1 FGAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)N2CCCCC2)c(C)o1 5058125 FXJFKNULYGIIES-VWLOTQADSA-N 360.479 3.220 0 1 FGAF COc1ccc(N(C)C(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 14958389 NEOSAGWYKXLUIJ-UHFFFAOYSA-N 373.796 3.427 0 1 FGAF Cc1nc([C@H](NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 150248032 LIVIAQCOPGNLQD-QGZVFWFLSA-N 368.437 3.320 0 1 FGAF CN(C)CCCN1C(=O)N[C@@H](c2cc(Cl)c(Cl)cc2Cl)C1=O 169317129 LOAAOLYDZAILHQ-LBPRGKRZSA-N 364.660 3.191 0 1 FGAF Cc1ccc(/C=C/C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1F 169345202 NGIXJVXQSKKFLC-MDZDMXLPSA-N 366.436 3.061 0 1 FGAF Cc1cccc(NC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c1 201475252 QXIJSEHMEZDVKY-UHFFFAOYSA-N 370.472 3.468 0 3 FGAF CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O 205628866 GBDJXOQJHMYYCQ-UHFFFAOYSA-N 374.375 3.307 0 1 FGAF COc1cccnc1C1CCN([C@@H]2CCCN(c3cnccn3)CC2)CC1 1857556585 OOCLFOYPNHPENS-GOSISDBHSA-N 367.497 3.119 0 1 FGAF NS(=O)(=O)c1cc(C(=O)O)c(SCCc2ccccc2)cc1Cl 1857614638 XUXDCUQYQUMQNX-UHFFFAOYSA-N 371.867 3.020 0 1 FGAF CCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1 2966564 HCXBRNWXOYHPQX-UHFFFAOYSA-N 359.491 3.179 0 3 FGAF CCn1c2ccccc2c2nnc(N3CCC(N4CCCCC4)CC3)nc21 6781674 HHJACYVBUXWAOT-UHFFFAOYSA-N 364.497 3.454 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccnc2ccccc12 103252982 CRLXOVQRLXLTFR-GOSISDBHSA-N 362.385 3.198 0 1 FGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2)C[C@H]2C[C@@H]12 26475621 LJYCJSCLNVIZHK-RXQUIVADSA-N 363.479 3.191 0 1 FGAF CN(C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1 60325488 OUNBLQAENNVCQS-OAHLLOKOSA-N 372.465 3.436 0 1 FGAF COc1cc(OC)c2c(c1)C(=O)O[C@@H]2Cc1cc(OC)c(OC)c(OC)c1 2356687928 FYRLLUSJLXXAJX-OAHLLOKOSA-N 374.389 3.184 0 1 FGAF CCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8474049 KXHMNCKBXCICMY-UYAOXDASSA-N 359.429 3.164 0 1 FGAF biogenic CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CC=C(C)CC1 13377383 QZHVNXNQIQXHJI-MQWPULPWSA-N 368.514 3.082 0 1 FGAF biogenic CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(C)c(C)c2)C1 36380826 ICWPNKSQMPNOCN-UHFFFAOYSA-N 358.511 3.360 0 1 FGAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 73198006 GTPXAZMVRSAQCK-SUMWQHHRSA-N 370.449 3.499 0 1 FGAF C[C@H]1CCCN1c1nc(Nc2ccc(C(N)=O)cc2)ncc1C(F)(F)F 1911584107 KGOIBABWCFAULY-JTQLQIEISA-N 365.359 3.327 0 1 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1C 73313097 RVPGWCGZLVIKMK-SFHVURJKSA-N 358.438 3.486 0 1 FGAF CCOc1ccc2cc(-c3nn([C@@H](C)C(C)C)c(N)c3C(N)=O)cnc2c1 221780318 MXVDOTDIJVYNLE-LBPRGKRZSA-N 367.453 3.395 0 1 FGAF CCCCNc1ncc(C(=O)NCCCOC)c(-c2ccc(F)cc2)n1 82136223 HKTWJRIPUKNOLB-UHFFFAOYSA-N 360.433 3.261 0 1 FGAF CN1CC[C@]2(CCCCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 49067989 TWEQQEGZOGODAN-IRXDYDNUSA-N 363.255 3.062 0 1 FGAF CO[C@@H]1CN(C(=O)Nc2ccccc2)CCC(=O)N(C)c2ccccc21 299852360 QVNGUBGENINASO-GOSISDBHSA-N 353.422 3.275 0 1 FGAF COc1ccc(/C=C\Cc2nc3c(S)nc(S)nc3[nH]2)c(OC)c1 587928991 IUPSUIKOPFTQQB-ARJAWSKDSA-N 360.464 3.203 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cnc3[nH]1)C2 587246302 GAJXBUVXCBHMLT-KRWDZBQOSA-N 373.254 3.072 0 1 FGAF CN(C)c1ncccc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 587195481 IBUZASJRBRAXSL-UHFFFAOYSA-N 361.199 3.152 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCN3C(=O)OC(C)(C)C)C1)O2 587401052 SFMWSUIRJZRYFR-UHFFFAOYSA-N 358.438 3.455 0 1 FGAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)s1 587013642 AIFPKUQSSOZAHJ-SNVBAGLBSA-N 355.427 3.068 0 1 FGAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)s1 587013833 CMQCCFHASALRLL-SECBINFHSA-N 358.423 3.423 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2c(Cl)ncnc2[nH]1)C(F)(F)F 587092978 PVAXUQVTYWZOIE-CQSZACIVSA-N 371.750 3.170 0 1 FGAF CC(C)NC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755106 MDYVGUKDDCNFRC-APPDUMDISA-N 371.294 3.498 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccnn3c2)N1 587790526 CKDCFXBMVFTLIX-FVMDXXJSSA-N 361.218 3.255 0 1 FGAF CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(Cl)cc3[nH]2)CC1 586951973 FHQZKTSXISYAJS-UHFFFAOYSA-N 371.890 3.144 0 1 FGAF COc1ccc([C@@H]2NCCc3cccc(Cl)c32)cc1CN1CCOCC1 963379357 HOCPTVBZMHRFDD-NRFANRHFSA-N 372.896 3.416 0 1 FGAF Oc1ccc(-n2nc3ccc(O)cc3c2I)cc1 13609484 PACUCDFVDPAKTO-UHFFFAOYSA-N 352.131 3.041 0 1 FGAF COc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 14958381 IYRSFBCXSHAWJI-UHFFFAOYSA-N 359.769 3.402 0 1 FGAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccc(O)n1 169303416 HAONMKBGCRQXQR-CQSZACIVSA-N 370.359 3.059 0 1 FGAF Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(-c3nn[nH]n3)cnc12 203701807 MDGBPPNVDVUEBF-UHFFFAOYSA-N 360.208 3.275 0 1 FGAF C[C@H]1CC[C@@H](c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)C1 1857575477 LSTKSEATDGHIEL-QWHCGFSZSA-N 360.479 3.304 0 1 FGAF O=C(CCc1cn(C(=O)c2ccccc2)c2ccccc12)N1CCOCC1 28704748 HYTSTDJAGBIXCJ-UHFFFAOYSA-N 362.429 3.121 0 1 FGAF COc1ccc([C@H]2[C@H]3COc4ccc(OC)cc4C3=NN2C(C)=O)cc1 28634988 ZWLFZOXOJJFBDE-PXNSSMCTSA-N 352.390 3.020 0 1 FGAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 103537748 XQZQRNSEACGEMW-CYBMUJFWSA-N 353.378 3.444 0 1 FGAF CCCCN1CCC[C@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 26377132 OXMYLRVQOIOYER-INIZCTEOSA-N 372.465 3.009 0 1 FGAF CCN(CC)CC[C@@H]1CN(C(=O)c2cccs2)CC[C@@H]1CC(=O)O 2356443773 YMJWOQAFINRAFX-HUUCEWRRSA-N 352.500 3.033 0 1 FGAF CC[C@H]1C/C=C\Cc2ccccc2[C@H](C(=O)C[C@@H](O)CC(C)=O)OC1=O 61959150 GQHJEOPNYJIXRG-KHUHQEBMSA-N 358.434 3.099 0 3 FGAF C[C@H]1CN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)C[C@@H](C)O1 73197830 DZJJAQHTKRVCIB-QRVBRYPASA-N 374.525 3.232 0 1 FGAF CC(=O)[C@H](C)[C@H]1c2ccc3c(c2C(=O)c2ccc4c(c21)OCO4)OCO3 13385388 KIGVBPONNKWVTQ-VFZGTOFNSA-N 352.342 3.045 0 1 FGAF biogenic Cn1c2c(c3cccc(S(=O)(=O)c4ccccc4)c31)[C@H]1CC[C@@H](C2)N1 82152229 OUVSIXANZHJSBH-XJKSGUPXSA-N 352.459 3.360 0 1 FGAF COCCn1c(CC(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180874 MXARVVHNTJVETD-UHFFFAOYSA-N 371.460 3.465 0 1 FGAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCCC1 82082379 BACJOQFTTMTUPW-OAHLLOKOSA-N 361.467 3.170 0 1 FGAF COCc1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O 199731130 IPNWMUABFITINB-LJQANCHMSA-N 351.381 3.441 0 3 FGAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@@H](O)CC1 473233361 ZNOWDBTVMJEFSD-FKEBMKQQSA-N 357.494 3.384 0 1 FGAF COc1ccc(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 653847480 DGQFUPWZWHFLHF-HXUWFJFHSA-N 365.433 3.253 0 1 FGAF COC(=O)C[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425984 JJCQZMZRLWVPTP-VLIAUNLRSA-N 356.349 3.040 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)Cc1cccc(Br)c1)O2 587377472 MVCOQIRLNDEWMD-KRWDZBQOSA-N 374.234 3.485 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCO)cc1)CC2=O 587469334 NKXPTPVHJSICFV-HXUWFJFHSA-N 355.434 3.480 0 1 FGAF CCc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586926314 NSKSNRHVYJUCMA-UHFFFAOYSA-N 356.447 3.344 0 1 FGAF COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587220262 FWZGMNLKFJFRLQ-UHFFFAOYSA-N 368.437 3.154 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)C(=O)O)c1)O2 587383523 SMVHYGOCOIZIAL-HNNXBMFYSA-N 363.316 3.340 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3cncc32)N1 587774538 WGWXPZAEBLUXHB-QLJPJBMISA-N 350.235 3.356 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1 587776188 BPRSJERKBBNTTL-QLJPJBMISA-N 350.235 3.484 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCOCC2)N1 587769501 BFULTYZCGGPCPJ-SJKOYZFVSA-N 371.294 3.060 0 1 FGAF COc1c(C)cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(C)c1C 963527673 PZRMLPWYZOZCGN-LPHOPBHVSA-N 355.434 3.323 0 1 FGAF O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1 169347328 VLRIACDYQXMUBQ-GOSISDBHSA-N 357.841 3.448 0 1 FGAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3cccs3)c3ccc(C)cc23)N1 1857540800 WKTZUHBCQBTTDQ-HNNXBMFYSA-N 359.476 3.311 0 1 FGAF COC(=O)C1=CCC[C@@H]2[C@@]13CC[C@H](C)[C@]21C[C@H](c2ccoc2)O[C@H]1O[C@@H]3O 2356332368 FTIIWSAYPGBNDS-GZZVRJKDSA-N 374.433 3.328 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1O 103205794 PNNNUHUHKIJMHR-NWDGAFQWSA-N 357.781 3.404 0 1 FGAF COCOc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)c(O)c2)c1 61905734 SWUCBIAENGFLMY-OAQYLSRUSA-N 370.449 3.286 0 3 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C([C@H](O)C[C@@H]21)[C@H](C)C(=CC(=O)O)CC3 2356473288 AGSAINARGNMCLQ-LIPSIFBJSA-N 362.466 3.474 0 1 FGAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H](CCCCCCC[C@H](O)CC(=O)O)CCN21 2356546149 BNVBPCHYPWGIAO-IEWDOMPSSA-N 355.519 3.177 0 1 FGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)Oc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 27179760 RLATZNIHDCUZGM-MTFMMBMASA-N 365.429 3.300 0 1 FGAF Cc1ccc(N2CCC(CCOc3ccc([S@@](C)=O)cc3)CC2)nn1 72127970 XPQUCXXCNVVRKO-VWLOTQADSA-N 359.495 3.208 0 1 FGAF COc1cc2c(c(OC)c1OC)CCCN1CCC3=CC[C@@H](OC)C[C@@]321 13406460 RDCFGNICVFXARK-QVKFZJNVSA-N 359.466 3.295 0 1 FGAF biogenic Cc1nc(C)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1C 40422646 RIHPMFDZUWIOPQ-UHFFFAOYSA-N 358.873 3.013 0 1 FGAF COc1cc2c(cc1OC)[C@@H]1Cc3c(OC)ccc(OC)c3CN1CC2 142126690 MLYZNZVURPVMPQ-KRWDZBQOSA-N 355.434 3.377 0 1 FGAF CN1[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1[C@@H](OC(=O)c1ccccc1)C2 238740007 JRPXXGFURWDPJS-HAGHYFMRSA-N 365.429 3.304 0 1 FGAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(C)cc2)ON1C 95592585 DBZFIKFTEDSEIC-HUUCEWRRSA-N 356.359 3.161 0 1 FGAF Cc1ccc(NC(=O)Nc2ccccc2F)cc1S(=O)(=O)N(C)C 96283181 ZYWAYNOCYAFREA-UHFFFAOYSA-N 351.403 3.028 0 1 FGAF CN1C[C@@H]2C[C@H]1CN2CCCCC(=O)Nc1ccc(-c2cccnc2)cc1 299864191 QSVQIHHLLRVDJT-SFTDATJTSA-N 364.493 3.246 0 1 FGAF Cc1nn(C)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757214 OBTANLATZQCNKH-FVMDXXJSSA-N 352.251 3.428 0 1 FGAF Cc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Cl 587652230 YXEZQMDQLWQNQP-UHFFFAOYSA-N 365.220 3.247 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2O)N1 587769549 GRGNZPODZGUUBV-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2C(=O)O)N1 587788971 AVWCLOACBPSGKY-JKYUHCHBSA-N 353.191 3.238 0 1 FGAF COc1ccccc1CNC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587387119 NHSWRRXOOMYKLA-OAQYLSRUSA-N 368.433 3.016 0 1 FGAF COC(=O)C[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590341 CARUXAMVRFDPIQ-RXVVDRJESA-N 368.385 3.456 0 1 FGAF O=C1CN(c2ncccc2-c2nc(-c3ccc(F)c(F)c3)cs2)CCN1 587922105 HBKAYTIASLWPJK-UHFFFAOYSA-N 372.400 3.087 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2c(n1)SCC2 587619283 RIVDLGYOPAUMLF-CRAIPNDOSA-N 366.398 3.397 0 1 FGAF CC(C)CCOc1cc2nc(COCC(=O)O)[nH]c2cc1Br 587563592 VCRJUMWBEBWHPX-UHFFFAOYSA-N 371.231 3.352 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cncn1)(c1ccc(F)cc1F)O2 587384636 GQBBTWQQNAYWHI-LJQANCHMSA-N 370.359 3.008 0 1 FGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(F)cc2[nH]1)C(C)C 586932169 BURWTNQBBCINJO-OAHLLOKOSA-N 357.451 3.127 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(F)c4[nH]3)cc12 587037241 GOCCMHBOECMVCM-SECBINFHSA-N 357.414 3.450 0 1 FGAF COC(=O)c1cn2c(C)c([C@@]3(C)NCCc4ccc(F)c(C)c43)sc2n1 962093608 QLKOUUOTLXVQTC-IBGZPJMESA-N 373.453 3.348 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)C(=O)OCC)C(F)F 963244619 WXHHWFPZNQMLCW-YJYMSZOUSA-N 353.409 3.326 0 1 FGAF O=C(NCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1 12356235 OETSERFTYLQOCP-UHFFFAOYSA-N 367.424 3.124 0 1 FGAF COc1ccc(-c2c(-c3cccc(C(N)=O)c3)oc3ncnc(N)c23)cc1 14945096 VRVQOPMRCYIGHU-UHFFFAOYSA-N 360.373 3.247 0 1 FGAF O=C(O)c1ccc(O)c2ncc(N3CCCN(C4CCCC4)CC3)cc12 169341019 BCVFDGQVERRQPH-UHFFFAOYSA-N 355.438 3.093 0 1 FGAF c1cncc(N2CCN=C2c2ccc(C3=NCCN3c3cccnc3)cc2)c1 1857568287 PYHIFWMOMSHJKZ-UHFFFAOYSA-N 368.444 3.010 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=CCCCC(=O)O)C[C@H]12 2356387984 NCYSTSFUYSFMEO-UKNAQKAOSA-N 350.455 3.185 0 1 FGAF CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)O)cnc21 4199947 IXXDIQQJJCDAKU-UHFFFAOYSA-N 360.801 3.424 0 1 FGAF CS(=O)(=O)Nc1cccc(-c2nccc(NCc3cccs3)n2)c1 4257420 HRLRDIXRNYARSW-UHFFFAOYSA-N 360.464 3.189 0 1 FGAF Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12 4902317 JSSPKCLHUXUMFK-UHFFFAOYSA-N 351.406 3.032 0 3 FGAF O[C@H]1CC[C@H](Nc2nc(N3CCCCC3)ncc2-c2ccccn2)CC1 103242203 BXVCQFJVWUUMKU-IYBDPMFKSA-N 353.470 3.244 0 1 FGAF COc1ccc([C@@H](O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1 28524341 BFMVLFRBLSHGFU-MOPGFXCFSA-N 357.450 3.365 0 1 FGAF CN(C)CCCCCNCc1ccc2c(n1)N(C)c1ncccc1N2C 28104363 OLODVSCOTUNNAS-UHFFFAOYSA-N 354.502 3.147 0 1 FGAF NC(=O)c1cnc(NC2CNC2)c2cc(-c3ccc(Cl)cc3)sc12 64560344 CXMVUUCLUCKWBS-UHFFFAOYSA-N 358.854 3.099 0 1 FGAF O=C([C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]1c1ccccc1)N1CCCC1 27517789 RBJSVZUMSUQDDR-FSSWDIPSSA-N 374.484 3.366 0 1 FGAF CC(=O)c1cc(F)c(Cl)cc1OCC(=O)Nc1ccccc1C(=O)O 28644121 YWLFCMTZUKEPJV-UHFFFAOYSA-N 365.744 3.397 0 1 FGAF CCCCC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@@H](O)CCCC(=O)O 2356430298 IXAQOQZEOGMIQS-FHWLQOOXSA-N 352.471 3.129 0 1 FGAF CC=C(CC)c1c(O)cc2c(c1O)[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 2356430479 LNOFDVSWGARPID-SLFFLAALSA-N 358.390 3.145 0 1 FGAF CCCOC(=O)[C@@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1 2356735473 BIABXOXBQYCKHQ-NRFANRHFSA-N 352.386 3.447 0 1 FGAF C[C@H](CO)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)cc(O)c2[C@H](C)C[C@@H]1O 2356849890 PNFPUVYLPURZAO-UBFDWKIXSA-N 350.455 3.477 0 1 FGAF Cc1ccccc1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 34805717 MIPXMANSKCUCCX-UHFFFAOYSA-N 358.445 3.414 0 1 FGAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCOC 82187555 GGCGYPUGHAEUPU-UHFFFAOYSA-N 357.433 3.219 0 1 FGAF COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@H]2CO)cc1 49035052 IPXWZYMNCUNLJQ-KKTWSIMZSA-N 356.418 3.476 0 1 FGAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)nn23)c1 40955430 HSZVLQWFCDYLBY-UHFFFAOYSA-N 363.343 3.401 0 1 FGAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82195420 XHCWANYPFDKYGU-INIZCTEOSA-N 363.458 3.071 0 1 FGAF CN(C)[C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 84557156 SWUSXUHTTZKEQG-KRWDZBQOSA-N 355.825 3.423 0 1 FGAF CCOC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2OC)CC1 45302717 MZUAMKBVFKKFTG-UHFFFAOYSA-N 362.470 3.343 0 1 FGAF C[C@@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)cc1 96932405 QZPQVQHNXSVKPO-SECBINFHSA-N 353.205 3.456 0 1 FGAF COc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2C2CCCCC2)cc1 95599282 IURPDDIXECWJCN-HXUWFJFHSA-N 369.469 3.225 0 3 FGAF O=C1CC[C@H](C(=O)Nc2cc(-c3ccccc3)n(-c3ccccc3)n2)CN1 143752837 PYUUYFBTNWEVMQ-INIZCTEOSA-N 360.417 3.004 0 1 FGAF COc1ccc([C@@]2(c3cccc(-c4ccc(F)nc4)c3)COC(N)=N2)cc1 95576975 RFRRGWXFYJGVKX-OAQYLSRUSA-N 363.392 3.485 0 1 FGAF Cc1nc(-c2ccccn2)nc(N[C@H](Cc2ccccc2)C(N)=O)c1Cl 98209409 SELSGPMCFPHSDG-OAHLLOKOSA-N 367.840 3.009 0 1 FGAF in-vitro COc1ccc(CNC(=O)/C=C/c2coc3cc(OC)ccc3c2=O)cc1 95590901 GDISGXXFIQCEAN-BJMVGYQFSA-N 365.385 3.140 0 1 FGAF Cn1ncc2c(Cl)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(O)n3)cc21 474609505 QNAROJLHNRFZCR-LJQANCHMSA-N 370.840 3.162 0 1 FGAF CC(C)(n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581524 LUITXZBKIYSDHP-OXQOHEQNSA-N 365.389 3.139 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)cc(F)c3[nH]2)cc1 586941142 OPMBKIUTDCWCAS-BQYQJAHWSA-N 359.426 3.409 0 1 FGAF CCS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 587563980 DFXGCFVFXDSOQB-UHFFFAOYSA-N 360.435 3.253 0 1 FGAF Cc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1F 587202790 LLOOTCNDWFSGPK-INIZCTEOSA-N 371.368 3.453 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccncc1)CC2=O 587491488 TVHPMWOBTNPIOC-HXUWFJFHSA-N 355.390 3.465 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn2cccnc12 587585730 HGOVJZQXWPXASL-VQIMIIECSA-N 359.341 3.138 0 1 FGAF COC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587075032 BNWJDJAZUNGRDQ-CQSZACIVSA-N 356.769 3.015 0 1 FGAF CN(C)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336930 MYVUTTVPRJFYJF-ICSRJNTNSA-N 357.381 3.127 0 1 FGAF Cc1c(O)ccc2c1[C@](Cc1ccsc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963527880 RCHSEKFXWGBUBC-BLLLJJGKSA-N 371.380 3.361 0 1 FGAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963098340 GMAMMIZSQHLFFW-QKKBWIMNSA-N 362.408 3.227 0 1 FGAF COC(=O)c1ccccc1OC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 219707340 LOWVPYAXIDSUQE-CYBMUJFWSA-N 365.426 3.224 0 1 FGAF biogenic O=C(O)c1noc(-c2cccc(NC(=O)c3cc4cc(F)ccc4[nH]3)c2)n1 1772642675 GGGCEFSRKOFRNH-UHFFFAOYSA-N 366.308 3.308 0 1 FGAF COc1cccc(Cn2cc(COC(=O)N(C)Cc3ccccc3)nn2)c1 203462302 BVQKMZSJLKQRQT-UHFFFAOYSA-N 366.421 3.104 0 3 FGAF O=C(O)CCCSc1nnc(-c2ccc(OC3COC3)cc2Cl)o1 1857570415 YCNXJKWVAGXTDQ-UHFFFAOYSA-N 370.814 3.125 0 1 FGAF O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cccn1 1857608666 KWENWZBGSPPTLR-UHFFFAOYSA-N 362.433 3.461 0 1 FGAF O=C(Nc1ccc(N2CCOCC2)cc1)c1csc(-c2cccnc2)n1 29047040 UNNJUYWVUFBKLN-UHFFFAOYSA-N 366.446 3.294 0 1 FGAF CCCCC[C@@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)C=CCC[C@H]1OC(C)=O 2356417186 TXKKHPOCYZDCHH-PILAGYSTSA-N 354.443 3.328 0 1 FGAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC 28572629 ZIGZMEZHXMZEPZ-SJFWLOONSA-N 356.418 3.271 0 1 FGAF OC[C@@H]1CCCCN1CCNCc1c[nH]nc1-c1cccc2ccccc12 22910576 JZLXVUJNPPYVFT-IBGZPJMESA-N 364.493 3.166 0 3 FGAF Cc1ccc(-c2nc3sc(S(N)(=O)=O)nn3c2-c2ccccc2)cc1 103175490 ICKVQLBWQLTEEW-UHFFFAOYSA-N 370.459 3.081 0 1 FGAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1cc(F)c(F)cc1F 2356619119 TZPTUAWEUAEZGN-FZKQIMNGSA-N 354.416 3.369 0 1 FGAF COC(=O)C1=C2CCC3=C2[C@]2(CC(=O)[C@@H]4[C@H](C)CN5C[C@H](CC3)[C@@]2(C)[C@H]45)C1 2356693166 ZZXVVDFMOPWZCH-SHDWOSLESA-N 367.489 3.276 0 1 FGAF CN(C)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 211158167 GFGPGUDTEVHMGO-UHFFFAOYSA-N 360.320 3.203 0 1 FGAF CCOc1ccc(-n2nc3c(N4CC[C@@H](F)C4)nnc(C)c3c2C)cc1 72109339 YOXMEVDONXENBC-CQSZACIVSA-N 355.417 3.379 0 1 FGAF CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)o2)CC1 220179507 XYOMDLUIYINLEM-UHFFFAOYSA-N 364.401 3.006 0 1 FGAF Cn1cc(-c2ccc3ccc(F)c(-c4cc5c([nH]4)CCNC5=O)c3n2)cn1 222340990 KRKGTVKFVGNHRA-UHFFFAOYSA-N 361.380 3.055 0 1 FGAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(F)cc(F)c2c1=O 95554607 ASYFDBOWINMDJH-UHFFFAOYSA-N 373.311 3.379 0 1 FGAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccncc1 95590946 UOUAHARLYWMUJP-IRXDYDNUSA-N 357.841 3.206 0 1 FGAF COc1cc(-c2cn(C)c(=O)c3ccccc23)c(OC)cc1CN(C)C 653857509 MRBGNQFNVNUZTJ-UHFFFAOYSA-N 352.434 3.284 0 1 FGAF CCCc1c(O)ccc2c1O[C@](CCOC)(CC(=O)OCC)CC2=O 587478686 GYXFCSHBIMFSLY-IBGZPJMESA-N 350.411 3.038 0 1 FGAF Cc1nc2ccccc2n1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587652238 AMLDCPWOGPELKQ-UHFFFAOYSA-N 352.781 3.048 0 1 FGAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587951575 PIFHEZCPTQTHSD-UHFFFAOYSA-N 371.462 3.412 0 1 FGAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444670 SXARVNFJLCJWBW-IIBYNOLFSA-N 350.370 3.071 0 1 FGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(Br)c2[nH]1 587094359 QEXQFRWPOSXYST-ZCFIWIBFSA-N 350.138 3.455 0 1 FGAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1OC 587810304 KMBHVFFGQLUIRQ-IPNIYZGQSA-N 358.251 3.142 0 1 FGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(F)c2[nH]1 587201959 DPIRURICLNTOHI-AWEZNQCLSA-N 357.341 3.144 0 1 FGAF COCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772716 GGOXMRHRCJRKOY-XXFAHNHDSA-N 366.234 3.148 0 1 FGAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 586973436 OHEUMNRIRNIDTE-QGZVFWFLSA-N 369.446 3.372 0 1 FGAF O=C(NCCCc1cc(F)cc(F)c1)c1cc2ccc(O)cc2oc1=O 1772618011 VHBFRXWQXCNSTM-UHFFFAOYSA-N 359.328 3.139 0 1 FGAF Cc1ccc2c(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)C2=O 13588621 JMPDTJFOVRXYNL-UHFFFAOYSA-N 365.433 3.372 0 1 FGAF COc1ccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 205216963 WQXUMDXWDRYDIX-CJNGLKHVSA-N 374.799 3.363 0 3 FGAF CCCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1 103187170 ZEMXPASRBRQLAZ-UHFFFAOYSA-N 350.850 3.140 0 1 FGAF CN(C)c1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 117588049 KHIHPAXQRPMXRU-UHFFFAOYSA-N 368.481 3.264 0 1 FGAF c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 28219567 IBVVBGCCIYTCPI-UHFFFAOYSA-N 361.405 3.339 0 1 FGAF CC(C)(C[C@@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 28526291 YGYIVBNMBYBQGZ-OAQYLSRUSA-N 353.418 3.414 0 1 FGAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1CCc1ccc2c(c1)OCO2 2356712582 HGUFUYCGEMFOAS-HOTGVXAUSA-N 368.385 3.109 0 1 FGAF CC(=O)[C@@H](CC(C)C)NC(=O)C=CC=CC=CC=CC1=CN(C)CN1C 2356822265 FTPINUAMWLRJJC-HXUWFJFHSA-N 357.498 3.007 0 1 FGAF COc1cc2ncnc(N3C[C@@H](O)C[C@@H](c4ccccc4)C3)c2cc1OC 34635063 YJWMDLBLDAPTCW-CVEARBPZSA-N 365.433 3.002 0 1 FGAF COc1ccc(-n2ccc3c(sc4nccc(NCCO)c43)c2=O)cc1 73274007 ZEZZTCITJRXVEQ-UHFFFAOYSA-N 367.430 3.013 0 1 FGAF C[C@](N)(CO)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 40914212 BKLDAJMPJWZYAU-INIZCTEOSA-N 354.328 3.146 0 1 FGAF Cn1c(CN2C[C@@H]3C(COc4cccc(Cl)c4)[C@@H]3C2)nc2cnccc21 40420929 CIFLTVMHVNJKRH-SJPCQFCGSA-N 368.868 3.379 0 1 FGAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccncc3)C2)O1 96018796 DUUOROSHSCNXGC-CTNGQTDRSA-N 359.514 3.244 0 3 FGAF COc1ccccc1Nc1nc2c(s1)C(=O)CN(C(=O)CC(C)C)C2 299849448 URBZGDOWNQTGCD-UHFFFAOYSA-N 359.451 3.466 0 1 FGAF CC1=C[C@]2(C=C(C(=O)O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587830877 GKGZCJJWVBQFQV-VPTHRUTESA-N 368.202 3.220 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1OCC(F)(F)F)O2 587383294 VNBXCWMCYUYHNP-ZDUSSCGKSA-N 369.343 3.267 0 1 FGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnncc3[nH]1)N2 587033054 XPFVJLJAFLTGBH-DAVUEJTQSA-N 372.479 3.480 0 1 FGAF COc1ccc([C@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587373437 DFLDZHWLFPINIH-SFHVURJKSA-N 361.781 3.185 0 1 FGAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN[C@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O 587096072 FHRZLMJLSUNPPB-NVAPDCRFSA-N 370.408 3.067 0 1 FGAF O=C(N=c1nc(Cc2cc3c4c(cccc4n2)CC3)[nH]s1)c1ccccc1 587361689 YXXHZRISONBHDU-UHFFFAOYSA-N 372.453 3.450 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4OC)c1)[C@@H](C2)C3=O 587433139 USZJUHNSMQGNFE-BTYIYWSLSA-N 362.385 3.378 0 1 FGAF Cc1cc(F)c2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc2c1 587023848 KFXUKPFVJNPKKZ-UHFFFAOYSA-N 363.418 3.222 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc(O)c(Cl)cc41)[C@@H](C2)C3=O 587420776 JBUNAYHWZLKHHG-HXPMCKFVSA-N 358.777 3.480 0 1 FGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ncccc2F)N1 962714821 VYNMKRSRPIOPBI-QWHCGFSZSA-N 358.266 3.067 0 1 FGAF Cc1ccn2cc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)nc2c1 11819973 XTFVMXUWHRVDBS-KRWDZBQOSA-N 352.413 3.499 0 3 FGAF Cc1c[nH]c(CN(C)Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)n1 12445494 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587198664 OSNIZTOLIWUBNF-UHFFFAOYSA-N 372.432 3.253 0 1 FGAF O=S(=O)(/C=C\c1nc2ccnc(Br)c2[nH]1)c1ccccc1 586924247 NBKURCOMBGXXDO-CLFYSBASSA-N 364.224 3.165 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(N)=O)cs2)N1 587850553 ZUMLXJPIGAAMQP-NXSYQRQQSA-N 369.259 3.372 0 1 FGAF COc1cncc(N)c1-c1nc2c(Cl)ncc(Br)c2[nH]1 587252655 HRIARVBGIQCFSF-UHFFFAOYSA-N 354.595 3.027 0 1 FGAF Cn1cc(-c2ncc(-c3nc4cc(Br)cnc4[nH]3)s2)cn1 587022065 TZCMUMNYZQNAMA-UHFFFAOYSA-N 361.228 3.244 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCOC4=O)c1)[C@@H](C2)C3=O 587445883 YRVXABUEAIORMF-KKSFZXQISA-N 365.385 3.315 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCC1OCCO1 587617058 OOLAMODTZCZNOP-MAUKXSAKSA-N 356.374 3.266 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Cl)c(C)nn1C 587871555 ZNHLMZYVASBGRC-UHFFFAOYSA-N 362.792 3.472 0 1 FGAF CCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(Cc2ccccc2)C1=O 1857535378 HKZMFRPBAGACJT-UHFFFAOYSA-N 373.456 3.458 0 1 FGAF C[C@@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(F)cc1 1857562654 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618011662 MSKAFRMBWXTPHY-IYWFSZBXSA-N 371.393 3.423 0 1 FGAF Cc1cc(F)c2[nH]c(-c3nccnc3I)nc2c1 587186646 MXITVYDUUCAJFD-UHFFFAOYSA-N 354.126 3.072 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(OC)ccc4n1C)[C@@H](C2)C3=O 587429378 BWZYXDBIGSBCKY-ORAYPTAESA-N 350.374 3.079 0 1 FGAF COC(=O)c1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1OC 587934121 BEMZYRBLNNGJDN-APPDUMDISA-N 370.405 3.204 0 1 FGAF COc1nccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc12 587028880 BAYUUBGVPNRIAV-UHFFFAOYSA-N 353.407 3.116 0 1 FGAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2c(C(=O)O)cccc12 587637410 CLZIVIBTAQUBDU-UHFFFAOYSA-N 352.390 3.309 0 1 FGAF Cc1csc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962904551 WAIDLFOANBZXMS-HOCLYGCPSA-N 357.410 3.070 0 1 FGAF O=C([C@@H]1Cc2ccccc2[C@H](c2cnc3ccc(F)cn23)N1)C(F)(F)F 962704839 DIRZLKCZXALBMW-XJKSGUPXSA-N 363.314 3.209 0 1 FGAF O=C1Nc2cc(O)ccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 962996235 HUCBTOFDEUGPHM-HXUWFJFHSA-N 363.442 3.103 0 1 FGAF CC(=O)[C@@H]1CCC(C)=C[C@@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971113 GXRBZPSBPDDUHF-KQYVJACZSA-N 369.795 3.358 0 1 FGAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](O)CC2 5845249 JHFPQOLAHRTDAC-AWEZNQCLSA-N 374.458 3.441 0 1 FGAF COC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 12025270 XPPRXMHTBIZHRU-CYBMUJFWSA-N 351.830 3.023 0 3 FGAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(OC)cc2)c1)C(=O)O 12358334 MFLWROATQYHEKE-MRXNPFEDSA-N 371.433 3.287 0 1 FGAF CS(=O)(=O)c1ccc(-c2cc(CCCO)nn2C2CCCCC2)cc1 13560525 PNTDPENBGJLQBJ-UHFFFAOYSA-N 362.495 3.384 0 1 FGAF CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 13813357 IUUJGHBXCLUSHQ-NRFANRHFSA-N 360.461 3.390 0 1 FGAF COc1ccc(Br)cc1CCNC(=S)Nc1nccs1 13744873 DCXXRUXBIXIQKD-UHFFFAOYSA-N 372.313 3.443 0 1 FGAF O=C(O)C[C@@](O)(CSCCCCCCc1cccc(Cl)c1)C(=O)O 13758123 VNHFSRKVNYVZQK-QGZVFWFLSA-N 374.886 3.467 0 1 FGAF COc1cc(O)cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)c1 2356359729 RLPSCTFWRRFZRG-FIYPYCPBSA-N 358.390 3.190 0 1 FGAF O=C(NCc1cccs1)c1cccc2c1C(=O)N(Cc1cccnc1)C2 6746011 QZTZZOWFMSKVIL-UHFFFAOYSA-N 363.442 3.229 0 3 FGAF CCONC(=O)c1cn(CC)nc1OCc1cccc(C(F)(F)F)c1 103273270 UWEZDDJDTCJLHV-UHFFFAOYSA-N 357.332 3.182 0 1 FGAF O[C@H](CCN1CCN(c2ccccc2Cl)CC1)COc1ccccc1 29486695 QWIATLITSFZWRE-QGZVFWFLSA-N 360.885 3.292 0 1 FGAF COC1=C(OC)C[C@H]2C(=C1)[C@@H]1c3cc(OC)c(OC)cc3C[C@H]2N(C)[C@H]1C 27527074 MLAVZBYGVBERLG-YAYRXMPBSA-N 371.477 3.497 0 1 FGAF O=C(c1nc(O)c2cc(O)ccc2n1)N1CCC(Cc2ccccc2)CC1 28817951 AALJRNXTYNQLRG-UHFFFAOYSA-N 363.417 3.136 0 1 FGAF Cc1nc(N)nc(N)c1-c1ccc(Br)c(Br)c1 45226769 UBDASFHSDVPGQV-UHFFFAOYSA-N 358.037 3.141 0 1 FGAF O=C1[C@H]2C=C(I)[C@H](C[C@H]2c2ccccc2)[C@]12CO2 40914563 UOJNGNCLTBEZAO-JUFZMCDQSA-N 352.171 3.077 0 1 FGAF CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 49032992 CZRDJEJINLTDLZ-UHFFFAOYSA-N 350.426 3.374 0 1 FGAF Cc1cc(C)cc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1 95565559 BHLPRMAAOIHWNB-UHFFFAOYSA-N 360.816 3.471 0 1 FGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(C)cc1 299837797 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1772611765 XINIJVIHFFGQQN-HXUWFJFHSA-N 367.474 3.390 0 1 FGAF NC(=O)c1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 13612092 QBSNOPIUTLWCHX-UHFFFAOYSA-N 372.384 3.220 0 1 FGAF Oc1c2nc3ccc(Br)cc3c-2ncn1Cc1ccncc1 13635060 YPBOYVASGIJXNR-UHFFFAOYSA-N 355.195 3.448 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1 13762172 JRNOAFQGPBZGLC-UHFFFAOYSA-N 362.838 3.089 0 1 FGAF CCOC(=O)C1CCN(c2cc(O)n(-c3cccc(Cl)c3)c2O)CC1 169691766 MZIHPQKDPVHNHV-UHFFFAOYSA-N 364.829 3.321 0 1 FGAF CC1(C)[C@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@@H]21 206414142 CEQFGBDWPIJQAJ-HUUCEWRRSA-N 369.808 3.133 0 1 FGAF COc1ccc2c(c1N)CC[C@@H](C(=O)c1ccc(OC)c(OC)c1OC)C2 1857762741 LTMFQCYRDCFNDM-CYBMUJFWSA-N 371.433 3.291 0 1 FGAF C[C@H]1CN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C[C@@H](C)O1 766838 JMVKKVTWNGBJQR-BETUJISGSA-N 368.412 3.074 0 1 FGAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCOc1ccccc1 2468419 UKTJDGKUUJGQJX-OAQYLSRUSA-N 368.433 3.021 0 1 FGAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC[C@H]2C=CCC2)c(=O)[nH]c1=O 6425238 HLEGFMMPJFQDLU-INIZCTEOSA-N 366.461 3.303 0 1 FGAF CS(=O)(=O)c1ccc(-n2cc(CN)nc2-c2ccc(Cl)cc2)cc1 29395861 OUQOMELNMSVNLT-UHFFFAOYSA-N 361.854 3.055 0 1 FGAF CCCCCC(=O)CC[C@H]1[C@H](CC=CCCCC(=O)O)[C@H](O)C[C@H]1O 2356527065 VKTIONYPMSCHQI-INDMIFKZSA-N 354.487 3.475 0 1 FGAF COc1ccc([C@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC 66259192 JMQQKEFAVIZMNJ-CQSZACIVSA-N 373.405 3.208 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](O)C(=O)O)CC[C@@H]12 217349004 MBFXNYXLPHWLJQ-XQMBCTNNSA-N 350.499 3.452 0 1 FGAF O=NC=C1C=CN(COC/C=C\COCN2C=CC(=CN=O)C=C2)C=C1 138401381 XYRZNHHPDRUQRO-UPHRSURJSA-N 356.382 3.477 0 1 FGAF O=C(O)CCCNC(=O)c1ncc2cc(-c3ccc(F)cc3)ccc2c1O 146703414 ZCPXHSRUGVQBOS-UHFFFAOYSA-N 368.364 3.341 0 1 FGAF COc1cc2c(c(OC)c1)CN1CCc3cc(OC)cc(OC)c3[C@@H]1C2 84726866 HFKSXXFKEYZDQL-SFHVURJKSA-N 355.434 3.377 0 1 FGAF NC(=O)c1cc2cc(CCc3ccccc3)c(C(F)(F)F)nc2nc1N 95555702 MKJMPHFMJSZAAX-UHFFFAOYSA-N 360.339 3.115 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 85923829 ZDDSHWOLTYMTJG-KQPNJSLMSA-N 356.374 3.372 0 1 FGAF biogenic COC(=O)[C@@H](COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccccc1 653718534 XAWLYPKTHJVAQC-JICACKBISA-N 370.401 3.217 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CCN(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428626 LDNLZQNBHCLVPB-VBKZILBWSA-N 361.438 3.458 0 1 FGAF COc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029269 LAUKGOCHNXVUID-UHFFFAOYSA-N 362.418 3.488 0 1 FGAF CCn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587578671 BBFHXSZIAKWCFW-FXAWDEMLSA-N 350.374 3.486 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587430179 ZAZUYYFCXLUQOO-KPLVRAHFSA-N 367.420 3.425 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C(F)(F)F)cccc21 587383000 QDWIIXZQWOGHNF-QGZVFWFLSA-N 362.307 3.409 0 1 FGAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CN(C)C)cc1 587650729 SAGPJJGDSRCIOD-UHFFFAOYSA-N 358.463 3.309 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)c(O)c(C=O)c1)CC2=O 587489767 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354.172 3.256 0 1 FGAF Cc1ccc2c(C)c(C(=O)N3CCN(c4ncccn4)CC3)oc2c1C 12755768 MOFQFMZTYKZHHR-UHFFFAOYSA-N 350.422 3.110 0 3 FGAF O=S1(=O)CCOC[C@H](c2ccccc2)N1Cc1ccc(Cl)cc1 15937360 IJOUAFSKAWYQNE-QGZVFWFLSA-N 351.855 3.243 0 3 FGAF CC1(C)CC[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 169729845 SBBWRZBXKBXETC-HNNXBMFYSA-N 362.857 3.363 0 1 FGAF CC(=O)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1 1857553607 TZUFFBQTTYRULM-UHFFFAOYSA-N 353.466 3.265 0 1 FGAF Cc1noc(C)c1C(=O)O[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 1361148 WBQVNWUNEUMQFI-KRWDZBQOSA-N 360.385 3.387 0 3 FGAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccccc2F)C3)cc1 2356299334 GOYXPOIVIYSLSD-GOSISDBHSA-N 367.424 3.386 0 1 FGAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 2485770 AUDGBQHWQKGOSD-UHFFFAOYSA-N 362.426 3.033 0 1 FGAF CC1=C[C@@H]2C[C@]3(C)O[C@H]4C[C@H]3[C@](O)(C4)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C 2356328008 MWUDXCKYFLGDEF-ZHXFOHPWSA-N 359.510 3.048 0 1 FGAF CC(C)N1C(=O)COc2cc(CN3CCN(c4ccccc4)CC3)ccc21 103249211 NUSBIRLRXDCZKA-UHFFFAOYSA-N 365.477 3.143 0 1 FGAF COc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(OC)cc4)n23)cc1 28712769 KNCJAQVTAJAOBN-UHFFFAOYSA-N 372.388 3.123 0 1 FGAF CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCCCc1ccccc1 27110106 ZWYQQBDIMMOGCA-SFHVURJKSA-N 372.509 3.122 0 1 FGAF O=C(C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1)C1CCCC1 27105253 FOHXSDMHVIZYIE-KRWDZBQOSA-N 359.491 3.239 0 1 FGAF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(NC=O)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)NC=O 2356551154 SJUBXKFUQQKUEC-OTHMVBOZSA-N 360.542 3.360 0 1 FGAF COc1cc(OC)nc(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 61926973 SEUWCOWHKYZRHU-CYBMUJFWSA-N 371.466 3.327 0 3 FGAF COc1ccccc1-c1ncc(CN2CCC3(CCN(C)C3)CC2)cn1 65395937 ONBDQNLKIHAZEG-UHFFFAOYSA-N 352.482 3.070 0 1 FGAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)[C@H](C)CN1 34802101 IOQZWNCABFVBOY-SSCQCSDVSA-N 362.558 3.453 0 1 FGAF COc1cc2occ(-c3cccc(O)c3OC)c(=O)c2c(OC)c1OC 14645884 DBIFXIGLMYCYLV-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic N[C@@H]1c2ccccc2C2(CCN(c3cccc(C(F)(F)F)n3)CC2)[C@H]1O 72165312 WRDIHUHXQREEBQ-SJORKVTESA-N 363.383 3.013 0 1 FGAF CCN1CCN(c2nc(C)nc3[nH]c(-c4ccccc4Cl)nc23)CC1 84713786 BWTWHSMZCKTAOD-UHFFFAOYSA-N 356.861 3.124 0 1 FGAF C[C@H]1CN(CCCN2CCc3[nH]c4ccc(Cl)cc4c3C2)C[C@H](C)N1 40662415 OVWHZFQHVQNCGF-GJZGRUSLSA-N 360.933 3.252 0 1 FGAF CC1(C)C=Cc2c(O)c3c(c(C=O)c2O1)O[C@H](c1ccccc1)[C@@H](O)C3=O 199044697 AAJFCQJUBNHXEM-ZWKOTPCHSA-N 366.369 3.066 0 1 FGAF COCCn1c(CC(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185809 YEACCCKXERBDFJ-UHFFFAOYSA-N 357.433 3.422 0 1 FGAF CCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(C)c3)cc2)C1=O 199041246 ZUBGRDZEGNCAPK-UHFFFAOYSA-N 374.462 3.415 0 1 FGAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@H](C)/C(=C/C(=O)O)CC3 238778491 AGSAINARGNMCLQ-BZERCYKXSA-N 362.466 3.474 0 1 FGAF Cc1cccc(NC(=O)c2ccc(OCCCN3CCOCC3)cc2O)c1 261120652 JLXKFKDKZOCFJQ-UHFFFAOYSA-N 370.449 3.054 0 1 FGAF COc1ccc([C@H](C(=O)NC2CCCCC2)N(C=O)Cc2ccco2)cc1 36499477 WTXUWOXTOQKVAV-HXUWFJFHSA-N 370.449 3.437 0 1 FGAF biogenic CCn1ncc2cc(-c3cc(=O)n4nc(-c5ccc(F)cc5)[nH]c4n3)ccc21 653666148 HZYLABMZRPZPOD-UHFFFAOYSA-N 374.379 3.260 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442110 JWQNCBTVWBJTED-BTYIYWSLSA-N 354.402 3.461 0 1 FGAF O=C1C[C@@H](CCCNC(=O)C2CCOCC2)Oc2c1ccc1c2CCCC1 587509626 DKMXCJLYWXTINC-QGZVFWFLSA-N 371.477 3.222 0 1 FGAF c1ccc(Cn2c(SCc3nc4cnncc4[nH]3)nnc2C2CC2)cc1 586966823 SJAZRHWEUUUCQX-UHFFFAOYSA-N 363.450 3.162 0 1 FGAF Fc1ccc2c(c1)-c1cc(n(-c3cc(C(F)(F)F)nc4ncnn34)n1)O2 587873535 DBWYDYPNMRTWBL-UHFFFAOYSA-N 362.246 3.241 0 1 FGAF NC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611849 KDZYNBFNPVEPIW-VQIMIIECSA-N 353.399 3.270 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)C(=O)O)cc1)O2 587381971 JMUUYPRVOYQSAW-HNNXBMFYSA-N 363.316 3.340 0 1 FGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(F)c2[nH]1 587259808 MJLCGVZBZZOHLE-HNNXBMFYSA-N 356.401 3.408 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(OC)ccc(C)c21 587481851 IFNZUHBHWTYYDH-OAQYLSRUSA-N 367.401 3.475 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)c(F)cc2[nH]1 586949850 CUHKIZZQHVLEBT-UHFFFAOYSA-N 353.806 3.318 0 1 FGAF Cc1ccnc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587509418 CQLJQHJKGHNKMD-NRFANRHFSA-N 365.433 3.417 0 1 FGAF Cc1cc(-c2nc3nc(=N)[nH]cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144720 OHQLMSYARIFBDV-UHFFFAOYSA-N 363.352 3.245 0 1 FGAF CC(=O)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O 587402478 DNVVSELNXGWEER-GOSISDBHSA-N 369.373 3.134 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccncc3)(C(F)(F)F)c3cccc1c32 963031606 REPQUALTKNDBLW-FZKQIMNGSA-N 361.367 3.135 0 1 FGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 962949076 PCZXFJXRTLAUKR-MGMVOCMOSA-N 366.461 3.377 0 1 FGAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccccc1N1CCOCC1 963638693 UNPZDJHWQNBWPT-IVZQSRNASA-N 368.477 3.164 0 1 FGAF CC1(C)[C@H]2CC[C@@H](CCOc3ccc(CCC(N)(CO)CO)cc3)[C@H]1C2 1772632503 KSDMRGWEFNUMPG-CMKODMSKSA-N 361.526 3.143 0 1 FGAF CCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CCC)n(CCC)c1=O 12405431 JBFCBDIKKKXIFW-UHFFFAOYSA-N 372.513 3.493 0 1 FGAF CCC[C@@H](OC(C)=O)C1=C(Br)/C(=C\Br)OC1=O 13379598 ZHKRZTOJPXQAJI-KBUNYLKBSA-N 368.021 3.160 0 1 FGAF C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13646065 LJNYRWVTDXVWCY-SECBINFHSA-N 350.827 3.154 0 1 FGAF COc1ccc([C@H]2CC(=O)c3c(OC)cc(OC)c(OC)c3O2)cc1OC 14643999 KDAYBJYBUBBFCG-CQSZACIVSA-N 374.389 3.436 0 1 FGAF endogenous,in-man COc1ccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)cc1 14944708 RPXXQANJWOBBBM-UHFFFAOYSA-N 366.425 3.203 0 1 FGAF O=C1NCCN1C(=O)N1CCC[C@@H]1c1noc2cc3ccccc3cc12 206029344 GBHGIRJDMJNXJK-OAHLLOKOSA-N 350.378 3.263 0 3 FGAF COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](CC(C)C)C2 1857654523 GTUAPZGEEDWLMQ-ZDUSSCGKSA-N 357.406 3.374 0 1 FGAF COc1ccc(CCc2noc(-c3cc(OC)c4c(c3)OCCO4)n2)cc1 103263302 HQQWNMPGAMZXPP-UHFFFAOYSA-N 368.389 3.310 0 1 FGAF Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(c2cnccn2)CC1 55328018 JCAIXRKQWLQDJH-UHFFFAOYSA-N 371.391 3.040 0 3 FGAF CC(C)n1nc(C(=O)NCCN2CCc3ccccc3C2)c2ccccc21 29571547 IMWLMBBKPHIXEA-UHFFFAOYSA-N 362.477 3.405 0 1 FGAF CCCCCC(=O)NCc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)CC)cc1 29056950 LZUKSKDERQUMSH-KSSFIOAISA-N 362.470 3.112 0 1 FGAF COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccccc1 2356650377 CLOXWXMRGIFQET-UHFFFAOYSA-N 366.369 3.194 0 1 FGAF COC[C@]1(OC)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@H](O)[C@H]2C 2356826215 HWCZSAJXKSHKFY-GIQWTUBBSA-N 364.526 3.479 0 1 FGAF Cc1ccccc1C1=N[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)ON1C 74373565 HRQZPNAHMPEQIE-FQEVSTJZSA-N 367.405 3.092 0 3 FGAF CCN1CCc2nc(NC(=O)N[C@H](C)c3ccccc3)cc3[nH]nc1c23 210742353 CCNVJLBCBUTLIW-GFCCVEGCSA-N 350.426 3.223 0 1 FGAF COC1=C(CC=C(C)C)[C@@H]2O[C@H]3c4ccc(O)cc4OC[C@@]3(O)[C@@H]2C=C1 238770524 HUQUUOIUJGCTAS-MBPVOVBZSA-N 356.418 3.398 0 1 FGAF COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO)c(C(C)=O)c1 254036043 VZCQXKQDISUSLN-TYPHKJRUSA-N 354.402 3.334 0 1 FGAF CO[C@@H]1C[C@@H](O)C2=C3c4cccc(O)c4C(=O)C[C@@H]3c3ccc(O)c1c32 36453052 VNVXZDRVVHCQPB-HFBAOOFYSA-N 350.370 3.144 0 1 FGAF biogenic COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)C4CC4)n1)[C@@H](C2)C3=O 587449033 DCGRRVHDVMWFDY-SCLBCKFNSA-N 370.430 3.156 0 1 FGAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587414970 WZDRYZNGQRKQAR-FQEVSTJZSA-N 355.390 3.462 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCS(=O)(=O)c3ccc(C)cc31)O2 587410054 KNSIISNALZYZRJ-HXUWFJFHSA-N 371.458 3.314 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(N)=O)c2)N1 587749330 OCGBTHDODHCPNA-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF C=C1C=C(n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2nncn2N1 587863437 JYTRLRXTFIJFLG-UHFFFAOYSA-N 374.326 3.129 0 1 FGAF C[C@@H](c1nc2cc(I)cnc2[nH]1)n1cc(Cl)cn1 587078895 CQQVBLXLWVEIEW-LURJTMIESA-N 373.585 3.022 0 1 FGAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440656 AIKRSOGAEPQUPX-GSHUGGBRSA-N 364.397 3.074 0 1 FGAF COc1cccc(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587440411 ZKAHVVAOJMGQBW-GOSISDBHSA-N 365.429 3.490 0 1 FGAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccc(N)cc1)[C@@H](C2)C3=O 587431547 HBRFFYHFQGQPGA-AVRDEDQJSA-N 358.397 3.364 0 1 FGAF O=S(=O)(NCc1ccc(-c2cccc(CO)c2)cc1)c1ccccc1 584905110 COEMTPKQUSKJIS-UHFFFAOYSA-N 353.443 3.324 0 1 FGAF in-vitro CN1CCN(c2ccc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3c2)CC1 587174413 PHEJBVSNYQTGCP-IBGZPJMESA-N 352.413 3.130 0 1 FGAF CCn1cc([C@]2(CC(=O)C(F)(F)F)NCCc3ccc(F)c(C)c32)cn1 962143785 JDZDXIDYNCFVFA-KRWDZBQOSA-N 369.362 3.261 0 1 FGAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1cccc(Cl)c1)N1CCCC[C@@H]13 1772643604 LPFBCSODRHOXCX-BIJSTVTOSA-N 357.837 3.162 0 1 FGAF CCN1c2ncc(CCc3cccnc3)cc2C(=O)N(C)c2cccnc21 5842320 SHONGYQWPMGFBR-UHFFFAOYSA-N 359.433 3.405 0 1 FGAF CCCC[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759699 DSCXDSWHYDECST-ZDUSSCGKSA-N 373.507 3.240 0 1 FGAF O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C[C@H](CCCO)CCCO1 13829116 RVTUNYBFQNZSLG-RHSMWYFYSA-N 359.388 3.193 0 3 FGAF CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 13977431 PBJHISOWRYPYBX-NSHDSACASA-N 370.377 3.396 0 1 FGAF Cc1ccc(CN2[C@@H](CC3CCCCC3)COCCS2(=O)=O)cc1 15937342 VYBYPNWHKMVHST-IBGZPJMESA-N 351.512 3.496 0 3 FGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC(C)C)c1 169706953 VSZDSDYRPCAIKD-QGZVFWFLSA-N 368.481 3.233 0 1 FGAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(N4CCOCC4)cc3)cc21 204985116 PTNKLSNPFHXLND-UHFFFAOYSA-N 374.444 3.401 0 1 FGAF NC1CCN(c2cc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccn2)CC1 205262552 YOEKUPVJOQMNFT-UHFFFAOYSA-N 371.448 3.009 0 1 FGAF Cc1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)cccn2c1=O 1857581634 YYXJSPFGMAXZGZ-LLVKDONJSA-N 365.437 3.013 0 1 FGAF CCCCC[C@H](O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O 34008812 AZJVIHQWXFKTDB-INIZCTEOSA-N 365.536 3.005 0 1 FGAF COc1cccc([C@@H]2C[C@H](c3cccc(OC)c3OC)n3ncnc3N2)c1 2916023 KJJPULLLRRJHLC-DLBZAZTESA-N 366.421 3.450 0 1 FGAF Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCCC1 6917097 OJVGGVRJFNFPEA-UHFFFAOYSA-N 353.447 3.051 0 1 FGAF CC(C)Oc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2n1 100643298 JXOLMXLINBXECI-HOTGVXAUSA-N 353.466 3.377 0 1 FGAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@H]1N=C2 27084235 FAEJWVCMADNLAQ-QWHCGFSZSA-N 351.378 3.201 0 1 FGAF Nc1nc(N)c2c3c(oc2n1)CN(Cc1ccc(Cl)c(Cl)c1)CC3 29209212 HWGBPJKQIYQYPG-UHFFFAOYSA-N 364.236 3.252 0 1 FGAF COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)NCC3 1726303 MXTWKFQBYULPCY-AWEZNQCLSA-N 371.433 3.140 0 1 FGAF biogenic COc1ccc([C@]2(CCN(C)C=O)CCc3ncccc3C2)cc1OC 14768394 RLKXKCNKLQKZLH-NRFANRHFSA-N 354.450 3.004 0 1 FGAF biogenic COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@]21O 14713042 VNKBPGVSBWRHTG-SFTDATJTSA-N 370.401 3.329 0 1 FGAF biogenic CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(=O)N(C)C)c2)c(C)c1 40576643 ZWELNZUXQYEHRS-VOTSOKGWSA-N 353.422 3.289 0 1 FGAF Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(F)cc1)C2=O 40900723 RRTCLUHPUOGIOS-UHFFFAOYSA-N 358.394 3.144 0 1 FGAF O=C(NC1CC1)c1cccc(-c2ccc3c(N4CCOCC4)nncc3c2)c1 40952652 KNLFQURAVAITLS-UHFFFAOYSA-N 374.444 3.026 0 1 FGAF CCOc1ccc2cc(-c3nn([C@@H](C)C4CC4)c(N)c3C(N)=O)cnc2c1 221816088 XOYALPHJTHBLCG-NSHDSACASA-N 365.437 3.149 0 1 FGAF Cc1ccccc1-c1cc2cnc(NN3C[C@H]4C=CC[C@H]4C3)nc2n(C)c1=O 141630634 PTXLQZFTKJZNMK-CVEARBPZSA-N 373.460 3.139 0 1 FGAF in-vivo Cn1cc(-c2cc(F)c3nnc(Cc4ccc5ncc(O)cc5c4)n3c2)cn1 140160648 QWXKGCDEWNJQJC-UHFFFAOYSA-N 374.379 3.114 0 1 FGAF COc1cc(OC)cc(/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)O)c1 95587024 DGGJBFRBHOXING-LZYBPNLTSA-N 374.389 3.355 0 1 FGAF CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(N(C)C)cc12 96273888 KOYFESPSHKRNFT-UHFFFAOYSA-N 351.406 3.276 0 1 FGAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn2CC(=O)c2ccccc2)cc1 653753184 ZTZLPMPIQANKTM-RBUKOAKNSA-N 359.429 3.438 0 1 FGAF Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)c(F)c2[nH]1 587194679 LAFWVXNMYWCAQM-UHFFFAOYSA-N 350.195 3.296 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC)ccc3[nH]2)cc1 586939376 NNESHSHPXSCSKR-GFCCVEGCSA-N 359.451 3.315 0 1 FGAF COc1c(F)ccc(F)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587133297 RXFHYGPJZBASII-UHFFFAOYSA-N 359.376 3.349 0 1 FGAF N=c1ncc(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)c[nH]1 587253606 CDHSPKWKAAUWEJ-UHFFFAOYSA-N 367.210 3.257 0 1 FGAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 587764802 RAXOURAEQDHEPH-XXFAHNHDSA-N 352.251 3.428 0 1 FGAF COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)oc12 586904614 ZISKENMXWGJRMT-UHFFFAOYSA-N 372.358 3.044 0 1 FGAF Cc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2n1 587119543 XXRPZSOUEHHTKO-UHFFFAOYSA-N 374.164 3.487 0 1 FGAF Cc1nc(Cl)c(Cl)n1C[C@]1(C)NCCc2c1c(C(C)C)nn2C 962915397 HWFTYJYBZNAFCX-INIZCTEOSA-N 356.301 3.416 0 1 FGAF COC(=O)C[C@@H]1CC[C@@]2(NCCc3cc4cccc(OC)c4nc32)[C@H]1C 963066980 MJNWEALRYQYWSG-DGCWBMGLSA-N 354.450 3.194 0 1 FGAF CC[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 5719093 WMKIHWUSJSACGJ-LLVKDONJSA-N 360.361 3.223 0 1 FGAF COCc1ccc(CN2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)o1 11873242 XAHDLFZUOAUJHD-OAQYLSRUSA-N 359.466 3.252 0 3 FGAF CC(=O)Nc1ccc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2c1 13602382 MJGWFNJRCIZVFM-UHFFFAOYSA-N 359.407 3.204 0 1 FGAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1 13677370 JYOIFSSKXBNYGV-UHFFFAOYSA-N 367.493 3.027 0 1 FGAF CCNC(=O)Nc1cc(-c2ccncc2)c(-c2cncc(C(=O)O)c2)cn1 169313075 QXQNDCVMXTYDQF-UHFFFAOYSA-N 363.377 3.045 0 1 FGAF C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C 206766716 XJBRIBWWNKAGEO-UHFFFAOYSA-N 350.378 3.235 0 1 FGAF CC[C@H]1NC(=O)N(c2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)C1=O 167662736 XOWFIAMSTPQWIU-CYBMUJFWSA-N 365.389 3.133 0 1 FGAF COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)cc1 201461734 QZGXHAVQFDFZAG-MRXNPFEDSA-N 365.433 3.369 0 3 FGAF O=C(CCc1nc(-c2ccccc2F)no1)NCCc1cccc(F)c1 201473030 WCFNOWDTXGCHSO-UHFFFAOYSA-N 357.360 3.306 0 3 FGAF O=C(NC1CC1)c1csc([C@@H](O)c2cccc(OC(F)(F)F)c2)n1 1857582441 NLVWVIPVFAGZFB-LBPRGKRZSA-N 358.341 3.016 0 1 FGAF O=C1c2ccc(F)cc2C[C@@H]1CCN1CCCN(c2ccccn2)CC1 1857610596 KBSCSQTYTJMMEQ-INIZCTEOSA-N 353.441 3.178 0 1 FGAF COc1ccccc1OCc1nnc(SCC(=O)O)n1-c1ccccc1 1632338 NKNXHWCBSIRIPQ-UHFFFAOYSA-N 371.418 3.032 0 1 FGAF CC(=O)NCCCOc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3 103298218 LKBUQFJMIZRYTF-GOSISDBHSA-N 366.461 3.049 0 1 FGAF Cc1nc(C(F)(F)F)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103246982 LSQBAUUNIXTLLU-SVVSGYCBSA-N 360.401 3.140 0 1 FGAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C[C@@H]2CC=CCC2)CC1 117377014 TVWRSURMNYXPIC-JKSUJKDBSA-N 367.493 3.123 0 1 FGAF Cc1ccc2nc(CO[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3F)[nH]c2c1 2356302029 KEVMBXBSKKDPSR-YJBOKZPZSA-N 371.387 3.390 0 1 FGAF c1cncc(-c2cn3ccnc3c(NCc3ccc4c(c3)OCCO4)n2)c1 64447571 DCXFKZPUDPUKHF-UHFFFAOYSA-N 359.389 3.175 0 1 FGAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66080587 QLPMSDMAJQBZGK-CQSZACIVSA-N 374.400 3.041 0 1 FGAF C[C@H](C(=O)NCC(=O)O)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39310066 ZLWHBJIIEMDIFM-UBHSHLNASA-N 361.463 3.086 0 1 FGAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccco3)c2)cc1OC 74387617 PJFLWBYCBAMJQQ-UHFFFAOYSA-N 369.421 3.212 0 3 FGAF CN1O[C@](C)(CC(=O)NCCc2ccccc2)N=C1c1cccc(Cl)c1 74373571 GRZSWBLWVKNXGR-HXUWFJFHSA-N 371.868 3.429 0 3 FGAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@H]3CNCC(F)(F)C3)nc12 1911572102 LXEJRJAGCWCVIJ-MRXNPFEDSA-N 372.419 3.189 0 1 FGAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1(O)CCCCC1 49124877 KHFNNINHZIFWSS-RDOIFFKNSA-N 360.542 3.087 0 1 FGAF CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccn1 84732536 VYAJLJOOCRNIIL-UHFFFAOYSA-N 359.385 3.320 0 1 FGAF COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2cc(F)ccc12 144518858 NHIURNUYBMWWBY-UHFFFAOYSA-N 351.385 3.222 0 1 FGAF Cc1nc([C@H]2C[C@@H]2c2nc3cccc(C)c3[nH]2)cc(-n2nc(C)nc2C)n1 143004907 PYWIEKFTRDCAEO-GJZGRUSLSA-N 359.437 3.438 0 1 FGAF N=C(NCCCOc1ccc(F)cc1)NCCCOc1ccc(F)cc1 142070282 BXCVIIKEIHXJKJ-UHFFFAOYSA-N 363.408 3.317 0 1 FGAF COc1cc(-n2c(-c3cccc(O)c3)cccc2=O)cc(OC)c1OC 96930132 YODYFGOZQRAVIZ-UHFFFAOYSA-N 353.374 3.236 0 1 FGAF COc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O 95592073 XEHFXGMKBQSIFO-UHFFFAOYSA-N 371.389 3.149 0 1 FGAF O=S(=O)(Nc1ccc(-c2ccncc2)c2cccnc12)c1cccnc1 473169967 OYGZXCQBAJLSEJ-UHFFFAOYSA-N 362.414 3.493 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cnccn12 587589885 YILUXDUIDMPFHN-XLIONFOSSA-N 359.341 3.138 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCc1ccco1 587868694 OUQAHIGGVYZYRE-UHFFFAOYSA-N 366.299 3.323 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](C(=O)O)C2 587612408 UYGZRIKWPUUZFS-QROBEVECSA-N 354.358 3.367 0 1 FGAF CC(=O)N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(C)cc1 587207794 WELCPKKZAGKZQV-LBPRGKRZSA-N 363.343 3.052 0 1 FGAF C[C@@H](c1nc2c(O)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129696 ZODVNLXBAJWBLT-VKHMYHEASA-N 364.690 3.393 0 1 FGAF CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426497 CNYABXOLTFZREV-QRWLVFNGSA-N 374.339 3.179 0 1 FGAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C(=O)C(=O)OCC)CC2=O 587483252 PXLXUAWBARXGTP-QVKFZJNVSA-N 374.433 3.371 0 1 FGAF CCOC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596001 MMTVXSUYWLNUQL-XXHMAFKTSA-N 368.385 3.456 0 1 FGAF O=C(c1cccnc1Cl)c1c(CO)oc2cc(Br)cnc12 587276696 RWTPNJXRDLYJEF-UHFFFAOYSA-N 367.586 3.362 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cnn(C)c2)N1 587761165 SSIYOCWTPJTROG-QFYYESIMSA-N 352.251 3.314 0 1 FGAF CC1(C)O[C@@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2O1 587606429 CJYSPNDFCJXLKZ-ZEVBXJOLSA-N 368.385 3.407 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncncc32)N1 587778913 OUPAHYLKXOJSSL-QGHHPUGFSA-N 362.246 3.492 0 1 FGAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587638643 HAVUUXYVHZBHQV-CQSZACIVSA-N 360.410 3.483 0 1 FGAF COC(=O)c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cn1 587133589 UYOMQYLCXCGCFB-UHFFFAOYSA-N 368.151 3.421 0 1 FGAF Fc1cc(Br)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587161567 WVQMIUVIAOIYCL-UHFFFAOYSA-N 359.162 3.107 0 1 FGAF CCOC(=O)Cc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587044147 PZHCIZNGZCJUNY-UHFFFAOYSA-N 367.430 3.380 0 1 FGAF NCC1(c2ccccc2)CC2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962729643 IQULCJFVXFTBQL-KKXNLOMOSA-N 374.406 3.218 0 1 FGAF COc1cc([C@]2(C)NCCc3c(OC)ccc(Cl)c32)cc(OC)c1O 963269571 KVWCAFMAZJMRTC-IBGZPJMESA-N 363.841 3.481 0 1 FGAF COc1cc2c(cc1OC)[C@](C)(C[C@H](O)c1ccccn1)N(C)[C@H](C)C2 962642446 VBUSNCPHJLFZSO-IBZMOEQTSA-N 356.466 3.314 0 1 FGAF Brc1cccc2c([C@@H]3NCCc4nc5ccccn5c43)n[nH]c12 962987218 VGBFESZFPGHYKC-INIZCTEOSA-N 368.238 3.208 0 1 FGAF O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 16308710 QBUNXAFZONKVCW-UHFFFAOYSA-N 356.234 3.330 0 1 FGAF NC(=O)c1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772578860 VVBVLMRXIYLEOF-MRXNPFEDSA-N 354.337 3.186 0 1 FGAF CC(=O)NC1=C(C)N=C(c2ccccn2)N[C@H]1c1ccc(F)cc1Cl 1772586002 BWSJMIJYEKUCAL-KRWDZBQOSA-N 358.804 3.333 0 1 FGAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccon3)no2)cc1 15075118 ZASFRAYBDSQZGY-LBPRGKRZSA-N 369.377 3.277 0 3 FGAF CON(C)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714112 RHQIGACYPYFPMM-YLMHJTNXSA-N 360.498 3.279 0 1 FGAF Cc1cc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)no1 203003669 RSUGQVWRPJRPSZ-UHFFFAOYSA-N 352.398 3.097 0 1 FGAF CC(C)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204407865 ILXUWWKWQXTSKU-OAHLLOKOSA-N 357.351 3.408 0 1 FGAF COc1cccc(CN2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)c1 1857752260 WEGDOMKOAJUCPS-UHFFFAOYSA-N 370.522 3.222 0 1 FGAF CCCN(CCOC)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2497995 AEAZYYIFUYKJKZ-UHFFFAOYSA-N 370.428 3.323 0 1 FGAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@H]3C[C@H](O)CC(=O)O3)c21 2356441027 AFLKSKHSRKUAGZ-VIXHLQAQSA-N 358.434 3.261 0 1 FGAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)cc12 3045439 VOVBXRAUSKJEFJ-YGRLFVJLSA-N 351.424 3.296 0 1 FGAF COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cncnc32)c1 4238563 YNIXXTIWGNFVPM-UHFFFAOYSA-N 362.364 3.050 0 1 FGAF COC=C(C(=O)OC)C(C)=CC=Cc1ccc2c(c1)OC(C)(C)[C@H](O)CO2 2356388813 SMLIFVAKZCGFSF-LJQANCHMSA-N 374.433 3.260 0 1 FGAF CCCO[C@H]1CCC([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103216513 FSTJBRJFYCCULF-HNNXBMFYSA-N 354.838 3.091 0 1 FGAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(F)F)c12 118737809 SUGZBGPEURLWGH-UHFFFAOYSA-N 366.349 3.480 0 1 FGAF CC(C)NC(=O)[C@@]1(C)CCN1C(=O)C(c1ccccc1)c1ccccc1 61930573 PZZDNMBFBDFPDV-JOCHJYFZSA-N 350.462 3.334 0 3 FGAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)C[C@@H](O)CC(=O)O 2356562329 QVYJIEVLAGBEIH-GBESFXJTSA-N 352.471 3.129 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356562746 CBOMORHDRONZRN-ZMMAXQRCSA-N 350.455 3.027 0 1 FGAF COc1cc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc(OC)c1OC 27441506 YQNJGFWZOSXLQL-UHFFFAOYSA-N 355.394 3.495 0 1 FGAF C[C@H]1C[C@H](C)[C@H](O)[C@H]([C@@H]2C[C@@H](CC(=O)NCc3ccccc3)CC(=O)O2)C1 27624430 IVTAHNQJAAUGMY-PIEXXGEBSA-N 373.493 3.058 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]23C(=O)O[C@H](c4ccoc4)C[C@H]2C(C)=CC(=O)[C@H]31 15267354 NLACKICHBSOXFN-FRVXDZGGSA-N 372.417 3.379 0 1 FGAF biogenic CCc1c(Cn2ccnc2-c2cc(F)ccc2F)ncn2nc(C)nc12 34461907 OEXYXFNMBFRMHW-UHFFFAOYSA-N 354.364 3.185 0 1 FGAF O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@@H](Nc1ncc(Cl)cn1)CC2 145873182 HXXQHUYXYGOSTC-LBPRGKRZSA-N 374.803 3.278 0 1 FGAF O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cccnc12 95594659 GUHKCQXIXRAGEK-UHFFFAOYSA-N 360.417 3.412 0 1 FGAF CNCCOc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC 653848301 LXINGPYRHFOCIB-UHFFFAOYSA-N 372.400 3.133 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C)c(C)cc3n3nnnc13)O2 587395279 PLDFUQGHNLDQHA-LJQANCHMSA-N 373.416 3.491 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OCCN(C)C)c1)[C@@H](C2)C3=O 587430533 VGCAFUVQKCMREQ-PGRDOPGGSA-N 367.445 3.298 0 1 FGAF C=CN1CC[C@H]([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587771174 VYCQBXZCXQODBO-YOIRWDDOSA-N 367.262 3.330 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(C)nc(N4CCCCC4)n1)[C@@H](C2)C3=O 587443920 MVELEHNZPSGJNO-YWZLYKJASA-N 365.433 3.273 0 1 FGAF CS(=O)(=O)Nc1ccccc1Cc1nc2cnc3ccccc3c2[nH]1 586948163 DRNZNGLGMBIZNE-UHFFFAOYSA-N 352.419 3.073 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586886454 BURTYYHOLREEBD-NGOJXBLDSA-N 359.495 3.281 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587427564 DRACVKCQNLJEBS-LHSJRXKWSA-N 367.401 3.239 0 1 FGAF CC(C)[C@@]1(Cn2cncn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587761503 UZUSYXAYQLMNMD-BDJLRTHQSA-N 367.266 3.265 0 1 FGAF COc1ncc(F)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587657945 DXSGUQURZQGNHV-UHFFFAOYSA-N 366.327 3.130 0 1 FGAF Oc1c(F)cc(F)cc1-c1nc2cc(I)cnc2[nH]1 587133811 BHFPEPHYDDHUMR-UHFFFAOYSA-N 373.100 3.213 0 1 FGAF CC(=O)N1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518326 FWAHQQMBZOHSKS-JOCHJYFZSA-N 361.397 3.319 0 1 FGAF Cn1ncc2ccc([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962761899 HXGLBNRUKVVHJQ-APWZRJJASA-N 373.378 3.483 0 1 FGAF CCN(CC)C(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 14888056 RQYIGVBHBCTGIL-CYBMUJFWSA-N 371.462 3.009 0 1 FGAF COc1cccc(OCc2cc(C(=O)N(C)CC[C@H]3CCCCO3)no2)c1 15065611 XXURQWSSYQYSQF-OAHLLOKOSA-N 374.437 3.293 0 3 FGAF CCCCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)O 169622159 RIBVJRIPUIBKFY-WOUUNASPSA-N 352.471 3.251 0 1 FGAF CCn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2CC)n(CC)c1=O 169699049 LPUIZPHUVVTHOV-FMIVXFBMSA-N 372.856 3.243 0 1 FGAF COc1ccc([C@@H]2C(c3nn[nH]n3)=C(N)Oc3ccc4ccccc4c32)cc1 1857549248 XQHCYDHAXLARGU-KRWDZBQOSA-N 371.400 3.213 0 1 FGAF CC1CCN(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 1857567400 PONRINFPMSRLIN-UHFFFAOYSA-N 356.919 3.225 0 1 FGAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 767870 VVJSLQNHUWABLE-AZUAARDMSA-N 361.401 3.270 0 1 FGAF C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Cl)C1 6640800 SLULECIGAGNPAH-SOUVJXGZSA-N 365.905 3.103 0 1 FGAF O=S(=O)(c1cccc(Cl)c1)c1cn([C@H]2CCNC2)c2ncccc12 28862180 AQDSKRXMNKMXJE-ZDUSSCGKSA-N 361.854 3.057 0 1 FGAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C[C@@H]2C[C@H]1NS(=O)(=O)c1ccccc1 101256362 LJYCJSCLNVIZHK-IKFLMWAPSA-N 363.479 3.191 0 1 FGAF C[C@@H](Oc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798430 RXYFHFITBGIPAS-XBFCOCLRSA-N 368.271 3.385 0 1 FGAF COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C[C@@H](C)C3=O)c12 101531703 PTBFJCLJPIBYAJ-SNVBAGLBSA-N 368.418 3.089 0 1 FGAF CCCc1c(OCc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 27882865 YPUUTNJQPHSGDA-UHFFFAOYSA-N 352.394 3.306 0 1 FGAF COc1cccc(C=C(C(=O)O)C(=Cc2cccc(OC)c2)C(=O)O)c1 2356821796 GETMLFGUBKOEKT-UHFFFAOYSA-N 354.358 3.340 0 1 FGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356855357 RCMYYZNUDQDHOY-HWCCDPAYSA-N 355.482 3.000 0 1 FGAF COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@](C)(O)[C@@H]2C)ccc1O 36378860 DGYASNDHNSXGSL-BSWYJSDQSA-N 360.406 3.315 0 1 FGAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 84670330 AIRAKQOXEIFHQE-UHFFFAOYSA-N 357.391 3.066 0 1 FGAF COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCCC3)c2c1 84739273 CUMCRJCSQCBRSV-GOSISDBHSA-N 366.469 3.170 0 1 FGAF O=C(O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 143446671 NLQXHLJZRXJXNN-SFHVURJKSA-N 374.318 3.413 0 1 FGAF CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95877321 UOXJBICYQMZMNX-VABKMULXSA-N 364.489 3.125 0 1 FGAF COc1c(O)c(C)c(O)c2c(=O)c3c(oc12)[C@@H](OC)Oc1ccccc1-3 96917843 JWYNDRGBQXDNPV-IBGZPJMESA-N 356.330 3.226 0 1 FGAF biogenic N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587111794 FQFYHGSTFKFXBR-JTQLQIEISA-N 361.327 3.406 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Oc1ccccc12 587841035 LOJWODVIACPALH-XLFHBGCDSA-N 362.198 3.285 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1CCSCC1)[C@@H](C2)C3=O 587451820 KYIGPQOSEUICRN-XAUMDUMWSA-N 359.491 3.173 0 1 FGAF N[C@H](N=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587091527 KTXLYTOVZYUVTM-CYBMUJFWSA-N 351.288 3.290 0 1 FGAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587068099 YMVSTSHLBCKMBR-SNVBAGLBSA-N 365.842 3.312 0 1 FGAF NC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611844 KDZYNBFNPVEPIW-LPHOPBHVSA-N 353.399 3.270 0 1 FGAF CCOC(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587777318 CITZHIZOELNHRJ-UHFFFAOYSA-N 351.122 3.450 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Oc1ccccc12 587606491 DHFUDXMIQYMPKW-LAUBAEHRSA-N 360.321 3.168 0 1 FGAF FC(F)(F)COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1 587091206 GOEWGXYVQFWRBK-UHFFFAOYSA-N 351.284 3.337 0 1 FGAF CCN(Cc1ccccc1)C(=O)COc1cc(=O)n(CC)c2ccccc12 5067372 LMYYMKWDAFEZED-UHFFFAOYSA-N 364.445 3.449 0 3 FGAF COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 13560183 FEWRBUTUYATDFG-UHFFFAOYSA-N 371.525 3.000 0 1 FGAF COc1ccc(N)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579634 UTAOAKRJFDMFLB-KRWDZBQOSA-N 362.857 3.211 0 1 FGAF O=C([C@H]1C2CCC(CC2)N1C(=O)CCCc1ccccc1)N1CCCC1 13756404 AEXPIJJZKRJPNV-GZNCHQMQSA-N 354.494 3.401 0 1 FGAF COC(=O)C[C@H](CCc1ccc(C(=O)OC)cc1)c1cccc(C(=N)N)c1 13776591 YJHQJYCQSFPDGI-KRWDZBQOSA-N 368.433 3.037 0 1 FGAF C=CCC1=C[C@](OC)([C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15045019 YZPIXMCJIWJICJ-DYXDTQHNSA-N 372.417 3.086 0 1 FGAF biogenic Nc1nc(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc2c1ncn2[C@@H]1CCCO1 169291413 QGZKDFNFCTXEHY-TUVASFSCSA-N 357.458 3.455 0 1 FGAF CN1[C@H]2CC[C@H](OC(=O)[C@](O)(c3ccccc3)c3cccs3)[C@H]1CC2 169332578 XGVQNYKSWMAKQT-WWNBULGVSA-N 357.475 3.152 0 1 FGAF Cc1cccc(C)c1C(=O)NC[C@@H](c1cnco1)N1CCC(F)(F)CC1 1857599657 DKVVHGBDOCQCAB-HNNXBMFYSA-N 363.408 3.494 0 1 FGAF CC(C)(NC1=NS(=O)(=O)c2sc(Cl)cc2N1)c1ccccc1 588923 XUSQKHZVTSWKMN-UHFFFAOYSA-N 355.872 3.397 0 1 FGAF CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12 2009497 NPKHWEBWIFDKHH-LLVKDONJSA-N 361.496 3.144 0 1 FGAF COc1cc(OC)c(NC(=O)c2nc(-c3ccncc3)no2)cc1Cl 6841715 LFQWDKXHDLKQLN-UHFFFAOYSA-N 360.757 3.055 0 1 FGAF Cc1ccc(NC(=O)Cn2c(C)nc3sc(C)c(C)c3c2=O)cc1F 6919082 GRWYXXQYYBSNMK-UHFFFAOYSA-N 359.426 3.469 0 1 FGAF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1OC 28825543 YHVVEFKLCMVGMK-CQSZACIVSA-N 372.421 3.168 0 1 FGAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(C)cc2)cc1 100093553 HSZLSFJZDDSJDH-IQXGVOEQSA-N 368.502 3.157 0 1 FGAF CCCc1cc(=O)[nH]c(-c2ccc(CN3CC(N4CCCCC4)C3)cc2)n1 23339092 DTWFSVMLUMMLFF-UHFFFAOYSA-N 366.509 3.060 0 1 FGAF COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3[C@H]2c2ccco2)cc1 64447477 GXWQAOQGNBGAJM-KRWDZBQOSA-N 350.378 3.481 0 1 FGAF CC[C@@H]1C[C@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@@]2(C(=O)OC)C[C@H]1C3 2356449766 XDALHBQULYHYQJ-ATBAPAGJSA-N 368.477 3.264 0 1 FGAF COc1ccc([C@H](CNC(=O)C=Cc2ccccc2)OC(C)=O)cc1OC 2356465029 XULKPSWLPHAMGU-FQEVSTJZSA-N 369.417 3.138 0 1 FGAF NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 66258575 CGRLNCABNBKKKW-UHFFFAOYSA-N 374.851 3.189 0 1 FGAF CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 36289080 FUMMGQDTUATFOU-UHFFFAOYSA-N 359.514 3.418 0 1 FGAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@@H]1c1ccccc1Cl 73387183 GYSNFWMPCQHMJV-GOSISDBHSA-N 358.781 3.350 0 1 FGAF COc1cc([C@@H](CC(=O)c2ccccc2)NC(C)=O)cc(OC)c1OC 72116271 HCNDAIWCSIKYEK-MRXNPFEDSA-N 357.406 3.163 0 1 FGAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)CC(C)(C)C)[C@H]3C2=O)cc1 25410477 BNMIRIAPRHBQIM-FUHWJXTLSA-N 371.481 3.272 0 1 FGAF biogenic O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(O)cc1 95571760 JASSRXGGQJSWTJ-AWEZNQCLSA-N 362.765 3.188 0 1 FGAF Cc1cc(Nc2c(C)cccc2C)c2nc(N3CCOCC3)cc(=O)n2c1 473128568 CFIHAKPMLHAESV-UHFFFAOYSA-N 364.449 3.200 0 1 FGAF O=C(CCN1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 473136896 UVBFNSODHAGVJA-UHFFFAOYSA-N 353.491 3.274 0 1 FGAF C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ccccn1 473155182 PVGOQRJICUIPTG-SNVBAGLBSA-N 362.769 3.258 0 1 FGAF Cc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1F 587127206 OLTOZQCJOLBKJO-UHFFFAOYSA-N 359.304 3.366 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn(C)nc1C 587863179 SXZMWCNHBNJCMI-UHFFFAOYSA-N 364.327 3.308 0 1 FGAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)ncc3[nH]1)C2 587246669 IMRMNOIEEBYUDF-KRWDZBQOSA-N 362.355 3.328 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]ccnc2-3)N1 587808597 ZVQZANPSSOXLIZ-RTHLEPHNSA-N 361.218 3.435 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccn3n2)N1 587794530 MYTQWRHRUUMAFK-RFAUZJTJSA-N 361.218 3.255 0 1 FGAF CCOC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742948 VDUODZSFRMKOMH-AFEMSUNCSA-N 373.222 3.036 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(=N)[nH]2)N1 587856696 YWWDXOVEXJTSMC-JKYUHCHBSA-N 356.264 3.255 0 1 FGAF CN1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586843 KDDRCPOSQUHVOL-DEYYWGMASA-N 351.402 3.349 0 1 FGAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3c(OC)ccc(OC)c31)OCO2 963634588 KUFJEWDTZHOREJ-GIPWTMENSA-N 357.406 3.065 0 1 FGAF Fc1cc(F)cc([C@@]2(c3ccccn3)NCCc3nc4ccccn4c32)c1 962982669 JEFOYBPPGDLARO-NRFANRHFSA-N 362.383 3.445 0 1 FGAF CNC[C@]1(c2ccc(O)cc2)c2ccsc2CCN1Cc1cccnc1 962992525 GZNNWYBDRMEHCF-NRFANRHFSA-N 365.502 3.370 0 1 FGAF COCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 29015516 RBKCWJGGAQNSTP-UHFFFAOYSA-N 363.211 3.286 0 1 FGAF O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CC[C@H](O)C1 12755595 TUHYNZCNZHXMBZ-KRWDZBQOSA-N 350.418 3.210 0 1 FGAF CNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 13860534 BPDGUAMXQHYQEW-UHFFFAOYSA-N 352.478 3.114 0 1 FGAF CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13864247 FIBZTJYDEQEKEI-GFCCVEGCSA-N 354.358 3.496 0 1 FGAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1C 28528896 OLXVWOVGXFQBNM-UHFFFAOYSA-N 368.359 3.138 0 1 FGAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCSCC2)[nH]c1=O 28866773 ZUVVXYGGMSOHJK-JTQLQIEISA-N 351.422 3.062 0 1 FGAF CN1CCc2c(n([C@@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc23)C1 2356409607 NDSLNSBNOXPRGO-XZOQPEGZSA-N 358.489 3.460 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)[C@H](O)C[C@H]2[C@H](C)C(=O)O[C@H]2C=C1C 2356617326 XVMRFXLOVBJZJH-POYRYOLTSA-N 350.455 3.169 0 1 FGAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3ccc4cccnc43)cc2)S1 29388964 GGPISWLEMHICHZ-INIZCTEOSA-N 367.430 3.009 0 1 FGAF CC(C)[C@@]1(C)Cc2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 39220334 IIONFMPBFALGSE-OAHLLOKOSA-N 355.225 3.487 0 1 FGAF CN(C)C(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101519 WYOYIIWKTINZSH-GOSISDBHSA-N 358.873 3.124 0 1 FGAF COc1cc(NC(=O)C[C@]2(C)N=C(c3ccccc3)N(C)O2)cc(OC)c1 74373538 MWQIPRCPJFYHLA-HXUWFJFHSA-N 369.421 3.072 0 3 FGAF CC1(C)COCCN1C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1 224487379 TVVKRRYSXWSDJT-UHFFFAOYSA-N 354.837 3.386 0 1 FGAF Cn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144889118 OQNGQDUOUIZENV-SFHVURJKSA-N 360.335 3.358 0 1 FGAF COc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1 653726668 SSAGPRNCPKPHLK-IBGZPJMESA-N 352.434 3.456 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(OC)c3[nH]2)cc1 587228888 SSYMIABVQJRSNJ-UHFFFAOYSA-N 368.393 3.070 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4oc(=O)sc4c1)[C@@H](C2)C3=O 587453104 POEKFGSOPFDMPV-GTNSWQLSSA-N 370.382 3.360 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2)N1 587827995 NEADZCRHIJQMAQ-BMLIUANNSA-N 364.214 3.451 0 1 FGAF COC(=O)[C@@H]1Cc2c(nc3cccc4c3c2CC4)CN1C(=O)OC(C)(C)C 587213685 YYSATFJZPFCCOS-KRWDZBQOSA-N 368.433 3.168 0 1 FGAF CCCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587436484 RQWNJFJKUUGOBM-OPAMFIHVSA-N 363.413 3.485 0 1 FGAF O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 586982630 MWXXJRPVULRTIW-UHFFFAOYSA-N 372.178 3.136 0 1 FGAF COC(=O)/C=C(\C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810680 VPLGQWPWXKQJQV-KKOOSNQGSA-N 356.235 3.457 0 1 FGAF FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3csc4nccn34)nc1-2 587040445 MFCUHDNTNSVMOJ-UHFFFAOYSA-N 358.736 3.277 0 1 FGAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(OCCO)cc1 963289894 RGJAJQNNUUPMQI-SFHVURJKSA-N 362.267 3.398 0 1 FGAF NC[C@]1(c2ccc(-c3ccccc3)cc2)NCCc2c(C(=O)O)cccc21 963132653 RNNBFHDDHYPXDU-HSZRJFAPSA-N 358.441 3.400 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@]12CCCC[C@@]21CCOC1=O 961314967 BERGPNXZYXMJMC-VXKWHMMOSA-N 373.493 3.292 0 1 FGAF CC(C)(C)OC(=O)N1[C@H](COc2ccc(C(=O)O)cc2)COC1(C)C 219723813 YXDHOHBTDGVHLI-CYBMUJFWSA-N 351.399 3.136 0 1 FGAF biogenic Cc1cn(C2CN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1772593839 LGDOASNEESFEHO-UHFFFAOYSA-N 363.417 3.107 0 1 FGAF COC(OC)[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 5063271 APHZFPITYCSKIN-RMMWZPCPSA-N 372.417 3.202 0 1 FGAF CC1(C)Oc2c(O)cc(O)c3c2[C@@H]1Cc1c-3oc2cc(O)cc(O)c2c1=O 13373252 SISHCMQQUDFHIG-VIFPVBQESA-N 368.341 3.093 0 1 FGAF biogenic,in-vitro O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 13585533 ZWUOWFXIMDPFSC-UNERYHBUSA-N 371.477 3.416 0 1 FGAF COc1ccc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)cc1 13605299 DHJHWQLOSUAHII-SANMLTNESA-N 367.430 3.045 0 1 FGAF CCCn1c(=O)c2[nH]c([C@H](c3ccccc3)C3CC3)nc2n(CCC)c1=O 13861085 BMHIGIYMTNDBBQ-MRXNPFEDSA-N 366.465 3.248 0 1 FGAF CC(C)NC[C@H](O)COc1ccc([S@](=O)c2ccc(Cl)cc2)cc1 169318960 SHRNAQHJYLQJNR-IZHWHUGBSA-N 367.898 3.244 0 1 FGAF CCCCC[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 169622195 MZYZWZXTHYCVHQ-WTKFZEAQSA-N 354.487 3.043 0 1 FGAF Cc1ccc(-n2c(O)c(N(CC(=O)O)c3cccc(C)c3)sc2=O)cc1 169688112 HHSREMDPWSPSAK-UHFFFAOYSA-N 370.430 3.444 0 1 FGAF CSc1nnc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)n1 103235971 BBTYLLKCHFAWIF-UHFFFAOYSA-N 357.460 3.331 0 1 FGAF Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 59262787 WZFYVAXGOJDHFD-FXAWDEMLSA-N 371.525 3.423 0 1 FGAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2c1 101465275 OOOQCFLLXODUKM-FICVDOATSA-N 366.465 3.224 0 1 FGAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)O2 101933698 GWGUPRNQVJIAAS-CRWXNKLISA-N 372.202 3.115 0 1 FGAF CCCCn1c(=O)c2ccccc2n2c(-c3ccc(O)c(OC)c3)nnc12 103171450 VFJUSOMAKVVUPF-UHFFFAOYSA-N 364.405 3.226 0 1 FGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N[C@H]1CCCc2ccccc21 103536361 MCBVSIDLOZOYKS-SFHVURJKSA-N 372.428 3.436 0 1 FGAF Cc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1-c1ccc(F)c(Cl)c1 28528166 JNRKFKITCDCURS-HNNXBMFYSA-N 350.777 3.195 0 1 FGAF COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@@H](C2)N1C(C)=O)OCO4 27863443 OKPDNMIWHNLPTK-IAGOWNOFSA-N 367.401 3.176 0 1 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(F)c(F)c1 117581244 HJWVKZHLDOZUHQ-UHFFFAOYSA-N 361.392 3.476 0 1 FGAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 2356521115 KJTANPQTPGUKEA-DZKIICNBSA-N 363.527 3.111 0 1 FGAF COc1ccc([C@@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@@H](OC)[C@@H]2O)cc1 2356654468 XMSAJBBKVHIWMR-LSTHTHJFSA-N 360.406 3.208 0 1 FGAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C(=O)O)[C@]12C 2356746460 XYVWVOQDJAKFEB-SFNSOECISA-N 362.422 3.317 0 1 FGAF O=C(Nc1ccc(-c2nc(O)cc(C(F)(F)F)n2)nc1)C(F)(F)Cl 64512579 JAEFDZMWABSAGW-UHFFFAOYSA-N 368.649 3.033 0 1 FGAF Cc1nc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)no1 212128289 JTJDEFZRTKESPX-UHFFFAOYSA-N 355.373 3.403 0 1 FGAF Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O 72178778 DEYIRRKKIBYJGX-UHFFFAOYSA-N 353.466 3.233 0 1 FGAF COc1ccc2c(c1OC)N(C=O)C13CCC4(CCCN5CC[C@]21[C@H]54)CC3 13373749 ZQIZRPRLODREBX-OVESXRPUSA-N 368.477 3.099 0 1 FGAF biogenic COc1c(OC[C@@H]2O[C@@]2(C)C[C@H](O)C=C(C)C)ccc2ccc(=O)oc12 13481628 NUKZWBOOWJIMRV-IIMJZQEZSA-N 360.406 3.055 0 1 FGAF biogenic NC1=N[C@@H](c2ccccc2)NC(NCCCSc2ccc(Cl)cc2)=N1 71282252 AEKBHMGBHSUNEE-MRXNPFEDSA-N 373.913 3.385 0 1 FGAF COc1cccc(-c2noc(Nc3ccc4c(c3)OCCO4)n2)c1OC 71928170 UHTSQTWXURLWQU-UHFFFAOYSA-N 355.350 3.269 0 1 FGAF O=C(Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)c1cccs1 195449178 LZWRWKMEAPIVKG-UDVXPWBQSA-N 364.426 3.312 0 1 FGAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1C(F)(F)c1[nH]ncc12 49073057 KSVGWDBXEILHPJ-QWHCGFSZSA-N 373.812 3.453 0 1 FGAF CC(C)n1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82208678 BOHNCCMRZCVCCY-INIZCTEOSA-N 360.502 3.177 0 1 FGAF Cc1csc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5C)c4)[nH]c23)n1 143361452 MISURVWIWFWWGP-UHFFFAOYSA-N 362.418 3.008 0 1 FGAF S=C(Nc1ccc(Cl)cc1)Nn1c(S)nnc1-c1ccncc1 299830130 MVQMHEJXVAUEMB-UHFFFAOYSA-N 362.871 3.223 0 1 FGAF Cc1nccn1-c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 653671209 CYXOVHMKQULCPE-UHFFFAOYSA-N 358.352 3.094 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(=O)C(=O)OCC)CC2=O 587483247 PXLXUAWBARXGTP-BTYIYWSLSA-N 374.433 3.371 0 1 FGAF CC(=O)N[C@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1 586984739 IJPKWUHOEYVZBA-CQSZACIVSA-N 359.227 3.140 0 1 FGAF CCCc1cc(=O)oc2cc(N3CCNCC3)c3c(c12)OC(C)(C)C=C3 169327217 RICFHGIAUYDRCT-UHFFFAOYSA-N 354.450 3.339 0 1 FGAF COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)cc3n2)cc1Cl 1857605244 AQLOANHSBZMOKO-GFCCVEGCSA-N 372.856 3.209 0 1 FGAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(Br)c1 203901295 HYGYQIHEMMTGJC-AWEZNQCLSA-N 363.211 3.098 0 1 FGAF CCOC(=O)c1s/c(=N/c2ccc3oc(=O)ccc3c2)n(CC)c1C 101671140 VCMYWCPKCSHGBF-VHEBQXMUSA-N 358.419 3.393 0 1 FGAF COc1cc2nc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 26847658 GPIJGGJZRJDMBC-UHFFFAOYSA-N 365.341 3.318 0 1 FGAF c1ccc(C(c2ccccc2)N2CCN(c3nncc4cncn34)CC2)cc1 29404711 FNSGZAZKRROLAI-UHFFFAOYSA-N 370.460 3.036 0 1 FGAF CCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1 26388244 CBZFZFCSCRFIEN-UHFFFAOYSA-N 357.801 3.114 0 1 FGAF Cc1[nH]cnc1Cn1cccc(-c2ccc(Br)s2)c1=O 26972241 HPDOQRSKGUWLRA-UHFFFAOYSA-N 350.241 3.419 0 1 FGAF C[C@H](OCc1ccccc1)[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 2356829537 IZIRUFQEIQRNBR-YJBOKZPZSA-N 357.406 3.314 0 1 FGAF CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccnc1)C1CC1 139053391 SDNWRIRHDXMDHM-SFHVURJKSA-N 371.506 3.333 0 1 FGAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCCN(C)c1ccccc1 82203946 JXYVZUSTLSRKFF-QZTJIDSGSA-N 369.513 3.337 0 1 FGAF O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)n1ccc2ccc(F)cc21 143547931 VFUUEYXFNJDBIW-UHFFFAOYSA-N 370.405 3.409 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12 95578553 DFZYWGSBQZQYCQ-LEWJYISDSA-N 372.472 3.065 0 1 FGAF COc1ccc([C@H]2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1OC 59777937 ZHHVNFYJMNMTJL-CYBMUJFWSA-N 360.362 3.133 0 1 FGAF biogenic COC(=O)c1c(O)cc(OC)cc1/C=C/c1cc(OC)c(OC)c(OC)c1 473089978 UHDDCOBFFSGHKJ-VOTSOKGWSA-N 374.389 3.384 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O 587452440 USDSDLDBZHXZSO-ZJTDPSCFSA-N 350.370 3.300 0 1 FGAF Cc1ccc(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1N 587250950 UMZCAPAABKFVJH-UHFFFAOYSA-N 350.466 3.071 0 1 FGAF O=C1C[C@@H](c2cn(Cc3cccnc3)nn2)Oc2c1ccc1c2CCCC1 587517610 QVFKXKDCDGUKAD-FQEVSTJZSA-N 360.417 3.307 0 1 FGAF Cc1cc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c(C)n1 587148361 IKTASYWDEUCKLG-CYBMUJFWSA-N 356.376 3.369 0 1 FGAF CCOC(=O)CNc1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587225271 PBPFVTMYENCMIP-UHFFFAOYSA-N 357.341 3.042 0 1 FGAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(N)ccnc2[nH]1 587190522 KXQAOUGTCRJGQV-OAHLLOKOSA-N 353.426 3.496 0 1 FGAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)o1 586931372 SBHBZHSLUVFBJT-UHFFFAOYSA-N 359.329 3.092 0 1 FGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(N)=O)ccc2[nH]1 587147493 PDMNMGYAFACIDO-UHFFFAOYSA-N 353.332 3.008 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Cc1ccccc12 587602268 HHODGRZGSQGXDW-DENIHFKCSA-N 358.349 3.375 0 1 FGAF O=C(C[C@@]1(c2cccs2)NCCc2nc3ccccn3c21)C(F)(F)F 962981939 IGAKTZOKQWHFPO-INIZCTEOSA-N 365.380 3.307 0 1 FGAF O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cnc2ccccn2c1=O 169312860 QCKGDTSAHDCKBA-UHFFFAOYSA-N 362.311 3.035 0 1 FGAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OC)c(OC)c1 169730648 GUCPMNSREJKJAQ-ROUUACIJSA-N 371.389 3.090 0 1 FGAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1CCO 206198538 LFIICAHPWXLHID-UHFFFAOYSA-N 367.323 3.079 0 1 FGAF CS(=O)(=O)c1n[nH]c(-c2cc(-c3cccs3)nc3ccccc23)n1 1857750832 VAPHJQROWAACLB-UHFFFAOYSA-N 356.432 3.152 0 1 FGAF Cc1cccc(-n2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)c1 4905101 GSQJAFZZXUHPKJ-UHFFFAOYSA-N 350.418 3.076 0 1 FGAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(Br)ccc3O)CCN12 26278583 XKZGMYIAKDKOSP-KWCYVHTRSA-N 367.287 3.290 0 1 FGAF O=C(O)C[C@@H]1c2ccccc2N=C(N2CCOCC2)N1c1ccccc1 100884558 RTOYJUPHPSWMCQ-GOSISDBHSA-N 351.406 3.042 0 1 FGAF CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356531556 CQPINXFYOGZFDW-LSDHHAIUSA-N 371.481 3.481 0 1 FGAF CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c1ccccc1 2356755923 DRIVJEVMJVKUHC-PZJWPPBQSA-N 353.418 3.104 0 1 FGAF Oc1ccc(CCc2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 72127948 PNJKYYTYLHWOCW-UHFFFAOYSA-N 354.410 3.266 0 1 FGAF COCc1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(c1ccc(OC)cc1)C2=O 199731425 BUZBWWPLPIWWPD-LJQANCHMSA-N 367.380 3.454 0 3 FGAF CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN1 148522757 ILXZYZXOXIELLL-OALUTQOASA-N 365.562 3.376 0 1 FGAF O=C(c1ccccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168906 SMTWYNDEVGFEAV-UHFFFAOYSA-N 367.449 3.054 0 1 FGAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)Nc1ccccc1 43527080 AFFSAPDOMRPIOA-WSTZPKSXSA-N 372.582 3.169 0 1 FGAF biogenic O=C(N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1ccc2ccccc2c1 299827744 HOWVHHMEPAYTSJ-SFHVURJKSA-N 359.385 3.142 0 1 FGAF O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(Cl)cc1F 653834981 UGYDAGYURULVIU-UHFFFAOYSA-N 370.561 3.499 0 1 FGAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587389362 KALIIJBADMICLE-HXUWFJFHSA-N 352.390 3.179 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cccc(O[C@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587440150 ORZCKBKUVCOPSI-BSPLBBPOSA-N 368.385 3.210 0 1 FGAF CC(=O)NC1(c2nc3ccnc(Br)c3[nH]2)CCC(C)CC1 587234520 OIBKKWGDYHEAJN-UHFFFAOYSA-N 351.248 3.262 0 1 FGAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587236389 VVGOCVLYWLHNMJ-PHDIDXHHSA-N 362.149 3.194 0 1 FGAF COc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1C 587582957 RZYIQOVAMPUEBP-LPHOPBHVSA-N 366.373 3.146 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC3=C2COCO3)N1 587837408 GSEBIXBSPUURMZ-FVMDXXJSSA-N 354.219 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O 587442197 HVVXIKQBGHSNKJ-JTSKRJEESA-N 363.413 3.485 0 1 FGAF NS(=O)(=O)c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073718 LQVSEMQZPGTKKE-UHFFFAOYSA-N 361.854 3.138 0 1 FGAF COC(=O)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586991513 KSIZKJNDTQXZOO-LLVKDONJSA-N 359.381 3.430 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C[C@@]2(C(N)=O)CC[C@@]1(C)C2(C)C 963607692 JYTLSWQFBAOYKO-KZPWJOJVSA-N 372.509 3.135 0 1 FGAF CCOc1ccccc1C[C@@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962924679 LKJKZYWYCPYJEX-JOCHJYFZSA-N 352.478 3.391 0 1 FGAF Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(F)cc1 13673910 AXQRBYFLZSHNKM-UHFFFAOYSA-N 365.357 3.092 0 1 FGAF CC12CN3CC(C)(CN(C1)C31CN(Cc3ccccc3)c3ccccc31)C2=O 19320972 IGUPMYRDGQOPSW-UHFFFAOYSA-N 373.500 3.086 0 1 FGAF Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3cccc(F)c3)cc12 169336040 MMIGQLOYXVMKMX-UHFFFAOYSA-N 362.408 3.451 0 1 FGAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H]2O[C@@H]1[C@@H]1O[C@H]21 169342519 UHWPQNIXJFNMHO-YAHKNAHFSA-N 364.482 3.466 0 1 FGAF NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1ccc(N)cc1-2 165828879 MVTVTINKNWFAHY-UHFFFAOYSA-N 372.350 3.338 0 1 FGAF O=c1c2ccccc2n2c(-c3cccnc3)nnc2n1Cc1ccc(F)cc1 6781202 OKIUXNVPCQYBQY-UHFFFAOYSA-N 371.375 3.294 0 1 FGAF CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN)c1ccccc1 28951413 RZCZKNPTZMHVSH-PZJWPPBQSA-N 367.424 3.029 0 1 FGAF Nc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 103268883 CUOCOMROZXDVOA-UHFFFAOYSA-N 360.464 3.138 0 1 FGAF Cc1noc2c1C(=O)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 28948422 NRQAJDJJLLMSNA-CQSZACIVSA-N 370.424 3.462 0 1 FGAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1 104061044 IWCXRZATXFRHHV-UYTDBDHRSA-N 357.414 3.354 0 1 FGAF CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1 25515257 NYXUKPHUZOEPNR-UHFFFAOYSA-N 367.474 3.116 0 3 FGAF CN(CCc1c[nH]cn1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64726085 LFXYHYKELAPSSX-UHFFFAOYSA-N 373.416 3.428 0 1 FGAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)cc1 61903908 WVMXUGOHEKCOQO-HXUWFJFHSA-N 358.388 3.445 0 3 FGAF CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C 28249164 AHCLBNDBOQTPGQ-OAHLLOKOSA-N 365.905 3.163 0 1 FGAF O=C(CC1=CCCCC1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 39447036 VRAASEWNDSGZTG-QFIPXVFZSA-N 367.493 3.313 0 1 FGAF O=C(O)Cn1c2c(c3cc(O)ccc31)CCN(Cc1ccccc1)C2=S 73197726 RNSVSCPFQBZAHB-UHFFFAOYSA-N 366.442 3.165 0 1 FGAF CCCc1cc(OC(=O)c2c(C)cc(OC)cc2O)cc(O)c1C(=O)O 14718255 OIZOQTMCUWNJTD-UHFFFAOYSA-N 360.362 3.285 0 1 FGAF biogenic O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1ccco1 199224441 OMIBWYURGRFADJ-LJQANCHMSA-N 371.400 3.060 0 3 FGAF CCCCC[C@@H](O)/C=C\[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)O 238744699 PXGPLTODNUVGFL-HBPHAVSDSA-N 354.487 3.043 0 1 FGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@]4(O)CO 95913615 CZYWWRRSTIZTFL-HUQQSZEBSA-N 350.499 3.296 0 1 FGAF biogenic,in-vitro O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccco2)c1=O 25235576 XXLFEKIIWOIUFR-WBVHZDCISA-N 360.413 3.368 0 1 FGAF biogenic COc1cc(OC(C)=O)cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c12 32271627 BTDZTSQJLRJDTG-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF biogenic CC(C)CC(=O)N1CC(=O)c2sc(NCCc3ccccc3)nc2C1 299849438 RELAFSCEMHSZPO-UHFFFAOYSA-N 357.479 3.369 0 1 FGAF COC(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1OC 586905731 ABEZLZMIIQQMKL-NTEUORMPSA-N 350.330 3.027 0 1 FGAF COc1ccc(OC)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1OC 587926971 MTCFDIBCZAVHQZ-UHFFFAOYSA-N 371.437 3.196 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)O2 587402364 ZOCUQESKXLHYEE-CBLJQSSYSA-N 358.438 3.453 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(C)c2)(C(F)F)N1 587719374 QKMYTXXRTMIWPP-GLEZIHRCSA-N 374.204 3.365 0 1 FGAF C[C@@]1(c2cc[nH]c(=N)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340228 VJMXUXHEMSLJKJ-XLIONFOSSA-N 365.364 3.008 0 1 FGAF COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Cl 587224523 JRCUKTDYHSFNBD-NSHDSACASA-N 359.813 3.309 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(C1CCOCC1)[C@@H](C2)C3=O 587436767 STEJCOVZDFEHMD-LAUBAEHRSA-N 351.402 3.160 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(N)=O)N1 587750015 QYZMQPWQXDKUCX-FVMDXXJSSA-N 363.230 3.311 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccn2n1 587589910 YRKYHBRMNHDWDL-VQIMIIECSA-N 359.341 3.138 0 1 FGAF CS(=O)(=O)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587209927 XJUWJGTYZAWRHY-GFCCVEGCSA-N 363.438 3.348 0 1 FGAF N=c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c[nH]1 587183020 ACAJEPHLIRCFKD-UHFFFAOYSA-N 370.581 3.295 0 1 FGAF CNC(=O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514998 ZNCNWQVFDHIZQZ-HXUWFJFHSA-N 365.429 3.397 0 1 FGAF O=C1COc2cc3nc(-c4ccc(CNCc5ccco5)cc4)[nH]c3cc2N1 587232216 ORROSQJMPPNWNK-UHFFFAOYSA-N 374.400 3.444 0 1 FGAF CN(Cc1nc2cc(F)cc(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929546 VHDFIKXLNQBZGB-UHFFFAOYSA-N 371.796 3.315 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ncnn12 587585314 DDRXQFFQUMUJSR-FXAWDEMLSA-N 359.341 3.138 0 1 FGAF Cc1cc([C@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c(C)s1 963143420 LXRGSYIQGOIYIG-LJQANCHMSA-N 359.447 3.317 0 1 FGAF Nc1cc(OCCCNC[C@@H]2CCc3ccc(O)cc3O2)ccc1Cl 13775922 AVVHLOOXCWDKCY-INIZCTEOSA-N 362.857 3.380 0 1 FGAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 15111059 CIMMACURCPXICP-IJOOQCEJSA-N 354.487 3.475 0 1 FGAF in-vitro C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1 7992779 DFIKRBHTYMXJMN-HSZRJFAPSA-N 373.456 3.298 0 3 FGAF CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)CC1 100705165 HGCGDXRWDGNDSU-UHFFFAOYSA-N 370.478 3.129 0 1 FGAF Cc1cnccc1N1CCCN(C(=O)c2ccc([C@@H]3CCCN3)s2)CC1 103525759 ATORMWCWUQGLGZ-INIZCTEOSA-N 370.522 3.229 0 1 FGAF CCCC(=O)N1CCC[C@H](c2cc(C(=O)NCc3ccc(F)cc3)no2)C1 61907691 FTAUOHUQVJBLPY-HNNXBMFYSA-N 373.428 3.250 0 3 FGAF COc1ccc([C@@H]2CC[C@@H](OCCCn3c(C)nnc3C)O2)cc1OC 29316794 MIYGHOXHROYWHR-LPHOPBHVSA-N 361.442 3.197 0 1 FGAF c1cc(NC2=NCCN2)ccc1Cc1ccc(OCC2CCOCC2)cc1 26004325 OQEBIHQSIWAWMH-UHFFFAOYSA-N 365.477 3.454 0 1 FGAF C[C@H](O)CC(=O)c1c(O)ccc([C@@H]2C[C@@H](C)Oc3cccc(O)c32)c1O 2356720408 ZBJNIZLABZVQSD-LOWVWBTDSA-N 358.390 3.060 0 1 FGAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)CC(C)C)C1 2356782060 CORPOBIVEWKOMG-VYCZESIESA-N 350.455 3.171 0 1 FGAF Cc1cccc(C(=O)N2CCc3c(ncnc3-c3ccn[nH]3)C2)c1Cl 219383447 VXLFFDSOBFZVRB-UHFFFAOYSA-N 353.813 3.027 0 1 FGAF CCCCOc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)c(F)c1 38267275 GXUFXEHNMOMLNG-UHFFFAOYSA-N 361.457 3.286 0 1 FGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1ccccc1 72136792 KPNHCDXBJYVCDH-IBGZPJMESA-N 371.458 3.230 0 3 FGAF CCCCN1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 215283202 RXDVXZQQYKVBTQ-RMKNXTFCSA-N 351.288 3.407 0 1 FGAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1CCOc2ncsc21 220879924 FABZXBUDIWONKU-CMPLNLGQSA-N 373.261 3.166 0 1 FGAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cc(Cl)ncc21 45259789 KRCAHUILXTYDCN-UHFFFAOYSA-N 363.870 3.084 0 1 FGAF Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)c5ccccc5)(C4)C2)C3)n1 250837276 NVINKRVQCDVNJV-IZHVLJGESA-N 365.481 3.154 0 1 FGAF CN(Cc1nc2cccc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169389 CJFDBFUBZRDBHP-UHFFFAOYSA-N 353.806 3.176 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cnccn2)N1 587774667 NKDLXTSBNBDQTL-QFYYESIMSA-N 350.235 3.370 0 1 FGAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587570292 OEGOSBKWAVYYIX-MAUKXSAKSA-N 354.337 3.451 0 1 FGAF O=C(O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161888 SJLKVQJOUBQNKV-UHFFFAOYSA-N 371.759 3.360 0 1 FGAF O=C(CCc1ccc2c(c1)OCO2)n1ncc2ccc(Cl)cc2c1=O 587651838 FRQQSJNXPAVSHR-UHFFFAOYSA-N 356.765 3.052 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccco2)N1 587827802 LBONGZPNLKAOHX-GLEZIHRCSA-N 354.175 3.044 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(O)c2)N1 587771513 MCVCGMXBZQNAAA-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586889003 ZHOWFZGJVVSZGF-ZDUSSCGKSA-N 363.483 3.210 0 1 FGAF Cc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1C 587202169 GGYVPPCNQJAUIF-KRWDZBQOSA-N 367.405 3.102 0 1 FGAF CC(C)c1nn(C)c2c1[C@@](c1ccc(Cl)cc1)(c1cnccn1)NCC2 962916119 IXDLQXXOXNBAQM-HXUWFJFHSA-N 367.884 3.425 0 1 FGAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(C4OCCCO4)c3)c3cccc1c32 963026783 KMWBJRNVUWTSMH-KKSFZXQISA-N 364.445 3.265 0 1 FGAF O=C(NCc1ccccc1F)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1343258 DJQNCCBTNPZAOB-KRWDZBQOSA-N 359.376 3.278 0 3 FGAF CN(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O 4131603 DLGRCNDWDMSUDW-CZYKHXBRSA-N 374.484 3.287 0 1 FGAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1 28889223 HLIHZLFNMDYORN-UHFFFAOYSA-N 358.405 3.228 0 1 FGAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)C1CC1 61895715 SIWUIEWNHDOAGL-UHFFFAOYSA-N 357.454 3.264 0 3 FGAF CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 36188040 KZDHFFOFVYCJKP-UHFFFAOYSA-N 373.541 3.460 0 1 FGAF CCC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 71317862 VURJEWGHFPCULA-UHFFFAOYSA-N 355.099 3.025 0 1 FGAF O=C1NC(=O)[C@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C2CC2)O1 71334408 PHXVHMPJIGJANG-OAQYLSRUSA-N 360.369 3.067 0 1 FGAF O=C1NCCN1C1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186469 ZCNRGRXTOHBZMR-IBGZPJMESA-N 370.884 3.314 0 1 FGAF COc1ccc([C@@H](CC(=O)c2ccccc2)NC(C)=O)c(OC)c1OC 72114904 DFTPOPZYKKPXPB-MRXNPFEDSA-N 357.406 3.163 0 1 FGAF C=CC[C@]12C[C@H](OC)C(=O)C=C1O[C@H](Cc1ccc3c(c1)OCO3)[C@@H]2C 14691819 UECRXYJPHAONDL-TUTGDRGFSA-N 356.418 3.427 0 1 FGAF biogenic COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 14639576 MSVBCAIBBCJRCV-ZDUSSCGKSA-N 371.433 3.179 0 1 FGAF biogenic CCN(C)C(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 45245506 QMHCLCQXVDKGAD-UHFFFAOYSA-N 354.458 3.313 0 1 FGAF OC1([C@@H](CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1 40394346 MRQDQHDPSBHAEH-KRWDZBQOSA-N 372.431 3.269 0 1 FGAF in-vitro CCC(C)(C)C(=O)C(=O)N[C@H](C(=O)OCCCc1ccccc1)C(C)C 40763394 SEGRFRHOQPEZBO-KRWDZBQOSA-N 361.482 3.309 0 1 FGAF c1cncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168833 QPGDCWWRPYPOEH-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF COC(=O)[C@H]1CCC[C@H]2[C@@H]3C(=O)O[C@H](c4ccoc4)[C@@H]3[C@@H](C(C)=O)C[C@@]12C 238786992 AGTVKDDCBZAARB-SOLPAYRSSA-N 374.433 3.314 0 1 FGAF CC[C@H](C)[C@H]1CC(=O)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 253634693 UGPOMYIOAGJKAA-RWZNSDCRSA-N 355.478 3.206 0 1 FGAF C[C@@]1(O)C(=O)O[C@@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]21 257500356 OCPGSVYCKLXPSO-GLZIMTHLSA-N 362.510 3.293 0 1 FGAF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1)(c1cccc(F)c1)O2 587386422 YCSOLGSMYWTPDE-FQEVSTJZSA-N 351.381 3.474 0 1 FGAF O=C1CC=Cn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587589991 ZCVVPODHZQZDCT-PXNSSMCTSA-N 374.352 3.349 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596148 UVKJTXCKIQKNLU-KRYHZZBUSA-N 354.358 3.066 0 1 FGAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(C(=N)N)cc3[nH]2)cs1 587019989 AUVLWUMOGKBFLR-UHFFFAOYSA-N 372.454 3.241 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)OCCN3C)CC2=O 587475094 LTFITSVUCUHZSQ-QGZVFWFLSA-N 354.406 3.275 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587231836 RGTOYAUEIZTDQE-RYUDHWBXSA-N 370.375 3.013 0 1 FGAF CCCCCOc1cc2nc(COCC(=O)O)[nH]c2cc1Br 587562673 CMXRJUPVJLZZLN-UHFFFAOYSA-N 371.231 3.496 0 1 FGAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587933944 AVYDKQLTLVDONS-UHFFFAOYSA-N 370.430 3.391 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587064836 HJYMWUWMSHPFOW-KRWDZBQOSA-N 374.784 3.340 0 1 FGAF N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F 587157845 UGTVACCJZUPSDV-CWTRNNRKSA-N 351.360 3.368 0 1 FGAF COc1cc2c(cc1OC)[C@H](c1ccn(CC(F)(F)F)n1)N(C)[C@@H](C)C2 962622817 CLKMGGZASKNBGS-APPDUMDISA-N 369.387 3.428 0 1 FGAF Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(-c2cnn(C)c2)c1 962898011 OGFAMHPTNIGASQ-PMACEKPBSA-N 365.408 3.223 0 1 FGAF O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 1772578488 RYRTVXCXZPFWGO-UHFFFAOYSA-N 363.505 3.174 0 1 FGAF CN(C)C(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761239 STLUNXRVUUXURL-UHFFFAOYSA-N 356.809 3.316 0 1 FGAF CCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706986 UDZKOEISEILGCB-KRWDZBQOSA-N 374.444 3.176 0 1 FGAF N=c1[nH]c(N)c(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 1857572500 PNJZXKFIQRYCHF-UHFFFAOYSA-N 365.286 3.378 0 1 FGAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1 28965747 UZPKVEYODCYBBD-CMDGGOBGSA-N 364.419 3.004 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]3CC2 2356456763 PHVBYKAXONRGRQ-QFSSDPKNSA-N 362.510 3.460 0 1 FGAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCc1ccc2ccccc2c1 73258613 RCJCYPJNFNBTHQ-FQEVSTJZSA-N 365.477 3.179 0 1 FGAF CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccc(F)cc2)n1 82139384 DEURNTFWYKLVLS-ZDUSSCGKSA-N 360.433 3.259 0 1 FGAF CCCc1c(C)cccc1C(=O)N[C@@]1(C(=O)O)Cc2ccc(F)cc2C1 143356438 JGXLGRFTGRPCTJ-NRFANRHFSA-N 355.409 3.439 0 1 FGAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 95570710 JMLPSYBRZSZXBT-OAQYLSRUSA-N 364.445 3.208 0 3 FGAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 261146209 NWXLNEMDCWELOX-IYARVYRRSA-N 370.497 3.035 0 1 FGAF COc1ccc2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1[C@@H]2OC 86039281 BDULBNWZNXYQBG-AQNXPRMDSA-N 358.390 3.432 0 1 FGAF biogenic CC[C@]1([C@H](N=O)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587743427 WOEZVGQSXFHNST-YVILZHTOSA-N 373.222 3.036 0 1 FGAF CC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)C12CC3CC(CC(C3)C1)C2 587561563 QXUPXHPXYVDHHG-GAURAVSJSA-N 353.422 3.325 0 1 FGAF O=C(O)c1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1F 586996305 DPFNPBAXGYRHOB-CYBMUJFWSA-N 365.158 3.244 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587408205 OCQBEOWEBFUGQT-JFYPTCJSSA-N 371.433 3.007 0 1 FGAF COC(=O)/C=C/c1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587442259 JFSCSNOPGRBVCD-JQXYLFFQSA-N 366.369 3.076 0 1 FGAF COC(=O)CC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429095 SHFYWGZVNBMBFL-IIBYNOLFSA-N 370.376 3.430 0 1 FGAF COC(=O)C(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591718 HIWWERGQVBBDIK-JKSUJKDBSA-N 356.374 3.312 0 1 FGAF COc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 587042180 IUVRNQFZYZLMFS-GFCCVEGCSA-N 360.826 3.275 0 1 FGAF CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587594769 IUNXWFFDDFBTJR-OXQOHEQNSA-N 368.385 3.456 0 1 FGAF Cn1cc(-c2nn(C)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513533 BREUMPPXFYONIO-IBGZPJMESA-N 362.433 3.406 0 1 FGAF COC(=O)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 586979976 ZQCGIJNDCHURQR-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF COC(=O)c1ccc([C@]2(CF)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614666 YHASXFHSHZGZIN-ASSNKEHSSA-N 373.424 3.238 0 1 FGAF CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21 13603277 HSGYYWSMLDCHQO-UHFFFAOYSA-N 361.445 3.359 0 1 FGAF COc1cccc(OC)c1C1=Nn2c(nnc2-c2ccccc2O)SC1 13828749 GEDQDPZXRNBGFM-UHFFFAOYSA-N 368.418 3.026 0 1 FGAF Cc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1 169710040 VEWGOQRRTJGHDZ-UHFFFAOYSA-N 359.433 3.182 0 1 FGAF COC(=O)c1c(CCc2ccccc2)cc2c(c1O)C[C@H](O)C(C)(C)O2 1857609108 KECLBQZTTOPYHT-KRWDZBQOSA-N 356.418 3.038 0 1 FGAF Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2 3956213 GEBOUNZPUGBPES-UHFFFAOYSA-N 354.454 3.209 0 1 FGAF O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2nc3ccccc3o2)C1 8382096 MXUQAVTYHBXVLP-QGZVFWFLSA-N 370.497 3.036 0 1 FGAF CCC=CC[C@H](O)[C@H](O)[C@@H](O)C=CCC=CCC=CCCCC(=O)O 2356307213 PKEIAUUUFLFOHM-BJLQDIEVSA-N 352.471 3.129 0 1 FGAF COc1ccc([C@@H](O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 116015259 VDBADOQXXPFKBM-FQEVSTJZSA-N 373.412 3.419 0 1 FGAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1c[nH]c3ccccc13)C2 2356647939 ZYBLVOVGXCTLBS-GOSISDBHSA-N 350.466 3.074 0 1 FGAF COc1ccc(-c2oc3cc(OC)c(O)c(OC)c3c(=O)c2OC)cc1 14644985 HZWQFLMDVZUSON-UHFFFAOYSA-N 358.346 3.200 0 1 FGAF biogenic C[C@@]1(O)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C(=O)O)[C@@H]2CC[C@@H]1C3 197446812 CDKNUBLSEZJSAU-YIXWCVDNSA-N 350.455 3.300 0 1 FGAF CCCCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C/CC[C@@H]1OC(C)=O 199307403 TXKKHPOCYZDCHH-QSXYTQIYSA-N 354.443 3.328 0 1 FGAF Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)[C@H](C)c3ccco3)n2)cc1 199403210 ZZCQZJKLOBOCLN-OAHLLOKOSA-N 351.406 3.031 0 3 FGAF COc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95579767 DJJXQANLOSWJLA-AWEZNQCLSA-N 352.394 3.415 0 1 FGAF CCCN1Cc2nc(NC(=O)[C@H](C)NC)ccc2N(c2ccccc2)C1=O 143194621 CGXRIGREXGFZPP-AWEZNQCLSA-N 367.453 3.112 0 1 FGAF C[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1 96932411 SMNAUBJLFQFPND-VIFPVBQESA-N 353.205 3.456 0 1 FGAF O=C(N[C@@H]1C[C@H](c2nn[nH]n2)c2ccccc21)c1cccc(C(F)(F)F)c1 621432767 UAWZOILLJXANJZ-LSDHHAIUSA-N 373.338 3.225 0 1 FGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN 653854571 STYYBYKBDSLCAY-UHFFFAOYSA-N 372.400 3.263 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)n[nH]c1C(=O)O)CC2=O 587461333 MFIRHIIPXACCRK-NSHDSACASA-N 350.758 3.126 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cccs1 587609419 BWQUVCIYJNEGRK-KXBFYZLASA-N 368.366 3.395 0 1 FGAF CCOC(=O)CCOCCCOCCc1nc2cccc(Cl)c2[nH]1 587566529 RKFAULBGBORTAE-UHFFFAOYSA-N 354.834 3.135 0 1 FGAF NC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005386 GQUJFLNDGXEWLH-UHFFFAOYSA-N 351.591 3.140 0 1 FGAF Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O 587577831 PIDJIPTUJHWJII-WIYYLYMNSA-N 363.369 3.420 0 1 FGAF Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C 587758924 YZFCPDDUHJHCKK-JDNHERCYSA-N 352.251 3.428 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCc3[nH]ccc32)N1 587803328 PBUJSICNTDSERZ-FVMDXXJSSA-N 351.219 3.224 0 1 FGAF COc1cc(C(C)=O)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938274 SWKGZQBMNHKLAT-UHFFFAOYSA-N 366.373 3.457 0 1 FGAF N=c1[nH]ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116635 JXTZNLANVZGNCK-UHFFFAOYSA-N 370.766 3.359 0 1 FGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(=O)O)cc1 587870358 GDRABKQFBSISGN-UHFFFAOYSA-N 354.337 3.475 0 1 FGAF O=C1c2ccc(O)cc2OC2(CCS(=O)CC2)[C@@H]1c1ccc(F)cc1 587372289 FIAVNFLKXVNNCJ-BACKLWQASA-N 360.406 3.172 0 1 FGAF Cc1ccc(-c2nnc(SCc3nc4cc(F)cnc4[nH]3)n2C)cc1 586965375 JYAKGFHPAPJXQU-UHFFFAOYSA-N 354.414 3.493 0 1 FGAF Cc1cc(Cl)c2nc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cn2c1 962903423 UQWVSTPLACLXAZ-GOEBONIOSA-N 359.788 3.124 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CSC1=NNC2=NCCCN21 963237718 ZCOMFPGIRKEVPG-YWZLYKJASA-N 371.554 3.228 0 1 FGAF CCN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 1857572886 ZYOCOSMBXURJEZ-WZUFQYTHSA-N 358.213 3.220 0 1 FGAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1cccnc1 5396622 KOWJWYRAMHHKAR-ICSRJNTNSA-N 365.477 3.276 0 1 FGAF biogenic Cc1ccc(F)cc1CNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12024146 LKDOIBMNSRLIOB-SFHVURJKSA-N 368.452 3.232 0 3 FGAF O=[S@](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1 13448818 CWSKSCRJKNSODL-QHCPKHFHSA-N 361.370 3.268 0 1 FGAF CN1C(=O)[C@H](NC(=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21 13606597 GHCMJXXHXYFGPV-NRFANRHFSA-N 369.424 3.257 0 1 FGAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](C(F)F)C2 13686950 FYRVUPFMMDBYMU-HNNXBMFYSA-N 372.824 3.420 0 1 FGAF Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=O)Nc1ccc(Cl)cc1 169702823 DNVBOLXJRPAFJX-UHFFFAOYSA-N 356.813 3.449 0 1 FGAF COc1ccc(OC)c(-c2ccc3c(c2)[C@@]2(CCO3)N=C(C)C(N)=N2)c1 169708861 OOCXJKMXIADCPK-FQEVSTJZSA-N 351.406 3.138 0 1 FGAF O=C(/C=C/c1cccc(O)c1)Nc1cccc(OCC2CCNCC2)c1 1857542059 ULBWMLZVPVXAKP-BQYQJAHWSA-N 352.434 3.423 0 1 FGAF [C-]#[N+]c1ccc(C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCC)cc1 1857587730 FCPAQDAWXXMWIC-GOSISDBHSA-N 353.397 3.244 0 1 FGAF CCCC[C@H](CC)CN1C=N[C@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@@H]21 1857619802 LROKOVKTZKIJLR-CWFSZBLJSA-N 370.497 3.021 0 1 FGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205322 SRRHFMWOIPRSKC-LMMKCTJWSA-N 372.852 3.319 0 1 FGAF CC(C)NC(=O)N1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 4237932 KFTGFTBOBKIXND-UHFFFAOYSA-N 361.461 3.262 0 1 FGAF Cn1c(=O)c(-c2ccccc2)cc2cnc(NCc3cccc(N)c3)nc21 58592765 INSHNCACNSMLHJ-UHFFFAOYSA-N 357.417 3.190 0 1 FGAF CCOc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1 8672391 VYYDAFLGNDPTSD-UHFFFAOYSA-N 364.423 3.202 0 3 FGAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccc(OC)nc3)cs2)c1 61898092 GVQSUKNTKWFMQU-GOSISDBHSA-N 369.446 3.448 0 3 FGAF O=C1OC[C@H](c2cccc(N3CCOCC3)c2)N1c1ccc2[nH]cnc2c1 116194980 AGIHWNYSJKBMSF-LJQANCHMSA-N 364.405 3.097 0 1 FGAF CCCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 28764532 GIZCUFCOBVPITN-LRSPAMPOSA-N 355.478 3.062 0 1 FGAF COc1cc2c(c3c1[C@H](O)[C@H](O)[C@H](c1ccccc1)O3)C=CC(C)(C)O2 14684688 APXKYALORJTRLL-FHWLQOOXSA-N 354.402 3.407 0 1 FGAF biogenic CCCn1cc(-c2ccnc(N3CC(N4CCCC[C@@H]4C)C3)n2)c(C)n1 82039527 IKQCRRBBJMHIGQ-HNNXBMFYSA-N 354.502 3.122 0 1 FGAF O=C(CNc1nc(-c2ccc(Cl)s2)cs1)NC[C@@H]1CCCO1 82195823 UBRKVTAGYPIZSE-VIFPVBQESA-N 357.888 3.232 0 1 FGAF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@H](C2)N(C)C[C@@H]3O 85846006 ITVKPOQYPPYHQA-KBPBESRZSA-N 357.406 3.081 0 1 FGAF biogenic c1cncc(-c2cnc3cnc(-c4ccc(N5CCOCC5)cc4)cn23)c1 653682155 PCMFYRXYKHXFSC-UHFFFAOYSA-N 357.417 3.295 0 1 FGAF CCN(C(C)=O)c1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cs1 587451986 PQWIDPLQDGHJDD-PXAZEXFGSA-N 358.419 3.013 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 587559357 YAHJDTDOKOIBIC-LBPRGKRZSA-N 360.414 3.207 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(F)cc2)N1 587729689 CTOOGYPSYDDJQF-BMLIUANNSA-N 368.221 3.497 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(Cl)nn3)CC1)O2 587380332 DGXWUVSTFMZTMM-UHFFFAOYSA-N 358.829 3.025 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOC3=O)cc1)O2 587398056 DQFLHBWFWUTVTB-HXUWFJFHSA-N 352.390 3.414 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586950282 DXFXEZWLXHBIRD-UHFFFAOYSA-N 355.423 3.256 0 1 FGAF COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1OC 586912120 FEYZOFGVIDZOKC-UHFFFAOYSA-N 354.406 3.382 0 1 FGAF COC(=O)Cc1ccccc1-c1nc2cc(Br)c(C)nc2[nH]1 587782925 AKJYORMTJJBRIP-UHFFFAOYSA-N 360.211 3.411 0 1 FGAF CCOC(=O)c1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c[nH]1 962635835 UWOBQVDVLNJEHS-XIKOKIGWSA-N 358.438 3.174 0 1 FGAF CCOc1c(F)cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1F 962759024 AHSMLXJJQBAVTE-HOCLYGCPSA-N 351.324 3.191 0 1 FGAF CC1(C)CN[C@@]2(CCOCC[C@H]2C(F)(F)F)c2c1ccc1c2OCO1 963391701 XCNLHAQDGAGNLW-CXAGYDPISA-N 357.372 3.480 0 1 FGAF Cc1cc2c(cc1O)[C@@](C)(c1cc3cccc(F)c3o1)N[C@H](C(=O)O)C2 963528935 VIFVUJWILVRERI-YWZLYKJASA-N 355.365 3.448 0 1 FGAF CNc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)OC)[nH]c2c1 1772639575 NXZJBVDIAHBCKL-UHFFFAOYSA-N 370.434 3.122 0 1 FGAF CCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358362 QUXLNVJRKGBIFE-IBGZPJMESA-N 369.417 3.287 0 1 FGAF COc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 202050008 MXCMRCUYNKCRTB-UHFFFAOYSA-N 353.407 3.232 0 1 FGAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289026 OJMOXBLFTBFMEQ-JQVVWYNYSA-N 372.509 3.042 0 1 FGAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cn1 61930439 TZFMZOOLFJNEJS-OAQYLSRUSA-N 361.401 3.485 0 3 FGAF CC(=O)Oc1ccc(C=CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 2356618032 BGRJFGWDFMYSGC-AZUAARDMSA-N 357.450 3.433 0 1 FGAF COc1ccc2c(c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 14648615 AAAQSJHHXMDZCO-RISCZKNCSA-N 360.362 3.036 0 1 FGAF biogenic O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccco1 1911585772 QGBOZOKKHFLRJF-ZDUSSCGKSA-N 353.205 3.398 0 1 FGAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccccc3Cl)[C@@H]1C2 73138191 SGENGEOIJHYIQG-FZKQIMNGSA-N 371.824 3.369 0 1 FGAF O=C1OCC2=C1[C@@H](c1cc(F)c(F)c(F)c1)c1cc3c(cc1N2)OCO3 40405533 NICXBQJDCJCLQP-HNNXBMFYSA-N 361.275 3.201 0 1 FGAF CCCC(=O)Nc1ccc(-c2csc(NC(=O)C(=O)OCC)n2)cc1 40631641 SLJLPMGCEIANJJ-UHFFFAOYSA-N 361.423 3.050 0 1 FGAF CC1(C)Oc2cc(C(=O)c3cncs3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669242 WJVGWGHKTCOKRF-JHJVBQTASA-N 359.447 3.495 0 1 FGAF CCc1ccc2c(c1)[C@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 141219352 UGKOQTFUFLBOMB-JHJOLFGTSA-N 369.509 3.141 0 1 FGAF CCOC(=O)c1cn(Cc2ccc(C(=O)OC)cc2)c2ccccc2c1=O 473112999 HCEVEMLGIAWQMZ-UHFFFAOYSA-N 365.385 3.013 0 1 FGAF O=C(COc1ccc(C(=O)c2cccc(F)c2)cc1)Nc1cccnc1 653808119 ORQXZJUWZUUXHB-UHFFFAOYSA-N 350.349 3.469 0 1 FGAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177527 LOQDZSOEUVREAT-UHFFFAOYSA-N 374.441 3.158 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C3CC3)C(=O)C2)N1 587772264 ZHBVAFOUWQJRRW-BTDLBPIBSA-N 367.262 3.103 0 1 FGAF Fc1ncc(Br)cc1-c1nc2nc(Br)c[nH]c-2n1 587177947 IJDNPNWLYFGAIW-UHFFFAOYSA-N 372.983 3.031 0 1 FGAF O=C1c2ccoc2CC[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 586909222 WTWCDRPTTRWWLL-SSDOTTSWSA-N 364.174 3.440 0 1 FGAF O=C1C[C@](c2ccc(Cl)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587497341 AHVRPWFZKXBEEB-FQEVSTJZSA-N 358.821 3.390 0 1 FGAF COC(=O)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595781 SUFVILSYTKQNOJ-NVMYHKGLSA-N 368.385 3.456 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ncccn1)CC2=O 587478367 SCULQXMKSMJSII-KRWDZBQOSA-N 350.378 3.027 0 1 FGAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587234682 HYUHUEASUKCNPQ-BQBZGAKWSA-N 362.149 3.194 0 1 FGAF Cc1oc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1C(=O)O 962714914 RQTVIJHVWHTLBS-GUYCJALGSA-N 367.323 3.195 0 1 FGAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)OCC)c1cnccn1 963224947 FDBSSRZQTAZTIK-KKSFZXQISA-N 353.466 3.330 0 1 FGAF CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)O 147083321 BTQPCAIQACXQFV-ZLTJSNBMSA-N 360.498 3.042 0 1 FGAF Cn1ncc2c(N[C@@H]3CCCC[C@H]3O)nc(Nc3ccc(F)c(F)c3)nc21 1772621915 FAEFJAXVWIDYCQ-HUUCEWRRSA-N 374.395 3.101 0 1 FGAF OCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)n1 13612172 FNULWBLUSGQXMP-UHFFFAOYSA-N 356.817 3.125 0 1 FGAF CCCNC(=O)CSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169366252 SPZZQXFLVUPSCH-GTHQYBDQSA-N 369.527 3.241 0 1 FGAF C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C(=O)c2ccc(F)cc2F)C1=O 1857575705 JNLBXMBIDXNDRZ-KRWDZBQOSA-N 364.735 3.226 0 1 FGAF O=C(O)c1ccc(Nc2nc(Cl)nc(=NCc3ccccc3)[nH]2)cc1 1857613814 BYTRABFGJAGLCN-UHFFFAOYSA-N 355.785 3.001 0 1 FGAF Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(=O)CC2)n1 601809 ZCHDFZQDZACXRO-UHFFFAOYSA-N 351.385 3.413 0 1 FGAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@H]1c1cn(C)c2ccccc12 2468748 OZTQFMXYOAPQEC-LEWJYISDSA-N 373.456 3.367 0 1 FGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049109 JXNYBDJEZKUIEO-TZIWHRDSSA-N 365.477 3.236 0 1 FGAF CO[C@@H]1CC(=O)c2c(cc(C)c3c2O[C@H](C)[C@]3(C)[C@H](O)CC=C(C)C)[C@H]1O 2356326619 YTSDPGXQZGDXTJ-NWUSBDAISA-N 374.477 3.386 0 1 FGAF CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 4908449 DOMYRWFGLHVXKS-UHFFFAOYSA-N 373.497 3.229 0 3 FGAF COc1ccc([C@H]2NC(=N)NC(c3ccc(Cl)cc3)=C2CC(=O)O)cc1 103262267 ODZXQRDLNZVOSR-GOSISDBHSA-N 371.824 3.403 0 1 FGAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccn1 115657813 TUPUSZLDCLKKGV-JOCHJYFZSA-N 373.387 3.034 0 1 FGAF c1nc(NCCc2c[nH]cn2)c2ccc(-c3ccc4c(c3)OCO4)cc2n1 36382591 MWRPNTSJOZZUJF-UHFFFAOYSA-N 359.389 3.403 0 1 FGAF CCCCOc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1F 49113470 FMQCWSHWOJFCAN-UHFFFAOYSA-N 361.457 3.286 0 1 FGAF CN(CC(=O)NCC1CCCCC1)C(=O)c1coc(-c2cccs2)n1 82085664 ZTLMRKYUNQYKGD-UHFFFAOYSA-N 361.467 3.172 0 1 FGAF NCc1cccc(CNc2nc(NCc3ccccc3)c3nc[nH]c3n2)c1 89455098 TWWAZHOQSMHCQF-UHFFFAOYSA-N 359.437 3.036 0 1 FGAF COC1=C[C@@H]2C=Cc3c(CCN(C)C)cc4c(c3[C@H]2C=C1OC)OCO4 40864470 XPALUHVBMIQPSU-BBRMVZONSA-N 355.434 3.320 0 1 FGAF O=C(NCCO)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49784506 AGVMJUYBMAKEFO-CYBMUJFWSA-N 373.280 3.475 0 1 FGAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCCN(C)c1ccccc1 82203944 JXYVZUSTLSRKFF-HDICACEKSA-N 369.513 3.337 0 1 FGAF CC(C)(CNC(=O)c1ncc2cc(-c3ccccc3)ccc2c1O)C(=O)O 146690701 ALUZYNOWSWKZRA-UHFFFAOYSA-N 364.401 3.448 0 1 FGAF CCCOc1ccc(N2CC(Oc3ccc([C@@H](C)NC(C)=O)cc3)C2)cn1 142309834 XZRWOSRMHWZVTH-OAHLLOKOSA-N 369.465 3.335 0 1 FGAF CC(=O)N[C@H]1C[C@@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 253677926 OEPMKSHSBUZDIB-HDICACEKSA-N 362.433 3.057 0 1 FGAF Cn1ncc2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccnc21 587661580 QXJBTILXZIGDOH-UHFFFAOYSA-N 371.375 3.474 0 1 FGAF CC(C)(C)OC(=O)NCCNC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874523 FALANMGPLQSVKW-UHFFFAOYSA-N 362.361 2.877 0 1 FGAF O=C(COc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587273117 IAUXEDRVTNRQEH-UHFFFAOYSA-N 362.179 3.344 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1cnccn1)CC2=O 587470930 WZJBRDRYNPPMFC-QGFLDLQWSA-N 367.449 3.461 0 1 FGAF COc1ccc2c(c1)[C@]1(CC3(CCN(C)CC3)O[C@@H]1C)N(C(C)C)CC2 962088426 HLEHJMUFBWJTLS-VGOFRKELSA-N 358.526 3.430 0 1 FGAF CC(=O)N[C@H](C)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953622 JUBZYKIFHILODR-SJKOYZFVSA-N 370.415 3.097 0 1 FGAF COc1ccccc1C1=NO[C@H](COc2ccc3ccc(=O)oc3c2)C1 1772571359 CFJSDBLSWIHOLL-HNNXBMFYSA-N 351.358 3.374 0 1 FGAF CC[C@H]1CCCCN1C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 11873020 JFLBVZMQMRZJRG-HNNXBMFYSA-N 371.437 3.113 0 1 FGAF C[C@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 14930293 YBTZYMZAMUEVJB-DCAQKATOSA-N 360.406 3.189 0 1 FGAF CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(F)cc(F)c1 14944694 AZETYZWGGZUSLG-UHFFFAOYSA-N 372.379 3.472 0 1 FGAF COc1ccccc1C(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205225358 CDHHKDGZAGCPMS-WBMJQRKESA-N 374.799 3.363 0 3 FGAF COc1cc(OC)c(-c2cn3ccc(N4CCNCC4)cc3n2)cc1Cl 1857583115 ZVLHIFSZNOHBLM-UHFFFAOYSA-N 372.856 3.082 0 1 FGAF CCCCC[C@@H](O)c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 28869286 DQSXZOGBCINPCW-WANAGLFOSA-N 350.455 3.290 0 1 FGAF CC(=O)[C@]12C[C@H](C)[C@](CO)(CCC(=CCO)CO)[C@H]1CCCCC2(C)C 2356361177 WISUTYKMYIPDLH-ZHODDXKCSA-N 366.542 3.488 0 1 FGAF CCOC(=O)c1c(S(=O)(=O)N(CC(C)C)CC(C)C)c(C)n(C)c1C 7002769 KIZGEAUZBDQEGO-UHFFFAOYSA-N 372.531 3.121 0 1 FGAF COc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2)cc(OC)c1 68248503 KSBJYPRZIHAHLH-PLNGDYQASA-N 366.306 3.354 0 1 FGAF in-vivo Cc1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)CNC(C)(C)C 25982540 RLCYCODCOCEIAK-OAHLLOKOSA-N 362.495 3.437 0 1 FGAF CC=C1CN2COC[C@H]3[C@H]1CC(=O)c1[nH]c4ccc(OC)cc4c1C[C@H]32 2356672996 DZESTLGCPZNPFB-UCLAIMLFSA-N 352.434 3.156 0 1 FGAF O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1CCc1ccc2c(c1)OCO2 2356712581 HGUFUYCGEMFOAS-CVEARBPZSA-N 368.385 3.109 0 1 FGAF CS(=O)(=O)c1sc(-c2cc(F)cc(F)c2)c2c1[C@H](O)C(F)(F)C2 1911575505 UWHUYKGCGHNLEP-LBPRGKRZSA-N 366.357 3.322 0 1 FGAF CCSC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2 210853270 FXCFITQWTDRDDG-AWEZNQCLSA-N 357.435 3.065 0 1 FGAF Nc1ccc(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 72142851 BIYZMXRVPDYOII-UHFFFAOYSA-N 366.442 3.283 0 1 FGAF O=C1Cc2cc(Nc3ncc(Cl)c(NCc4ccccn4)n3)ccc2N1 40896850 GIEASVWUYRFSSI-UHFFFAOYSA-N 366.812 3.375 0 1 FGAF CC(=O)NCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144808133 LUAILNHIHDHERW-SFHVURJKSA-N 365.351 3.370 0 1 FGAF CCOC(=O)/C=C/c1ccc(OC(=O)c2nc(C)c(C)nc2C)c(OC)c1 473133735 CQAVKRFSOXMHIN-CSKARUKUSA-N 370.405 3.206 0 1 FGAF COCCNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 653745050 WQRKXLRFBOSZDA-HDJSIYSDSA-N 354.458 3.326 0 1 FGAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 653915668 RIVQPJFQZPPLAK-AMIOVWLRSA-N 367.323 3.160 0 1 FGAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(=O)O)[C@@H]3C(=O)O 587206341 IPFGLGNESFSKIE-UGSOOPFHSA-N 373.364 3.261 0 1 FGAF FC(F)(F)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 586911396 XHXORPVJKNFHGA-QMMMGPOBSA-N 365.149 3.302 0 1 FGAF CCCc1c(O)ccc2c1O[C@](COC)([C@H](CC)C(=O)OCC)CC2=O 587485311 VHSFFUUNVIDVIT-FOIQADDNSA-N 364.438 3.284 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CO)c2)N1 587829775 YAILZIAAJZWQMV-VVVCHXIZSA-N 366.230 3.410 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587175145 QGTVJFNOEBAYGF-CXAGYDPISA-N 352.373 3.150 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2O)N1 587769550 GRGNZPODZGUUBV-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF COc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2n1 586972032 DJANPNSNQCTFJF-HNNXBMFYSA-N 356.451 3.077 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn3ncccc23)N1 587798882 XFVSDPJUITXAMV-XXFAHNHDSA-N 361.218 3.255 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@H]1N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587444865 RIECSUFDYYJGGX-IWIMFLECSA-N 371.433 3.353 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccccn1)[C@@H](C2)C3=O 587430923 WQYQQJGEDJJLND-SREROZSRSA-N 350.418 3.199 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H]1N[C@@H]1c1ccccc1 587592839 HOBKURAGIIAXMJ-NXWNEQKCSA-N 359.381 3.436 0 1 FGAF N=c1nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c(Cl)[nH]1 587085363 PVDQEPYNCMGJRB-UHFFFAOYSA-N 358.192 3.196 0 1 FGAF O=C1c2ccccc2-c2cc(-c3cnc(O)nc3O)nc3ccc(O)c1c23 586988624 TVGSRKQUSKDMGO-UHFFFAOYSA-N 357.325 3.020 0 1 FGAF COC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427599 JAXPJYHJULCWOH-FOIQADDNSA-N 356.349 3.040 0 1 FGAF Fc1cc(CCc2nc3nc(Br)c[nH]c-3n2)cc(F)c1F 587139626 MLUHKTUFKWELJZ-UHFFFAOYSA-N 357.133 3.270 0 1 FGAF O=C(c1ccc(Cl)cn1)c1c(CO)oc2cc(Br)cnc12 587275927 HELVHLOZYKFIHJ-UHFFFAOYSA-N 367.586 3.362 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncnn3c2)N1 587796103 PFNQMKDDZFDARS-JDNHERCYSA-N 361.218 3.255 0 1 FGAF COc1cc(Cn2nc(C(=O)O)cc2C)n2nc(-c3ccccc3)cc2c1 1772644511 FIGPQBZZCOIMKC-UHFFFAOYSA-N 362.389 3.261 0 1 FGAF CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)CC(=O)N1 14954348 XLCGNRUTBJTNGH-MRXNPFEDSA-N 364.380 3.218 0 1 FGAF CCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709168 JJACLFZMIBPYLO-MGPUTAFESA-N 369.465 3.335 0 1 FGAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccnc3)c(F)c2)C(=O)O1 3955682 GAQOVPLRMSUATJ-IJMVCFSESA-N 373.359 3.150 0 1 FGAF CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1 4106143 HBYVIKHRQTTYNH-RUZDIDTESA-N 361.467 3.051 0 1 FGAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1cccnc1 6576655 QTDRDNOQHMFTSZ-VUWOVVPOSA-N 374.400 3.037 0 1 FGAF O=C(Nc1ccncc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 6858652 PBUJLMUIUBGDBA-UHFFFAOYSA-N 371.393 3.274 0 3 FGAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OC)c(OC)c3)c12 8583992 GPHDVZXRTBHARY-UHFFFAOYSA-N 357.366 3.469 0 1 FGAF CC(=O)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1 101574374 SKIBXTJEPBLUCD-RTBURBONSA-N 365.433 3.331 0 1 FGAF CCN(CC)CCN[C@H]1c2cc(OC)c(OC)cc2OCc2ncccc21 26833580 SUKVAHFKUDBLDH-OAQYLSRUSA-N 371.481 3.012 0 1 FGAF Cc1cc(N)nc(C)c1CNC(=O)c1csc(Cc2ccccc2)n1 114078400 PHYSWHLTJDIWFC-UHFFFAOYSA-N 352.463 3.258 0 1 FGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)Nc1ccsc1 2356580534 WTRXSGKWQSGMQB-JFIYKMOQSA-N 362.543 3.066 0 1 FGAF COc1c(C(C)C)cc(O)c2c1CC[C@@]1(O)C3=C(CC[C@@]21C)C(=O)OC3 70454212 ZUXXDOUXNWRZDC-LEWJYISDSA-N 358.434 3.106 0 1 FGAF biogenic,in-vitro Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@@H]3CCCN3)noc2n1 71995355 YBFZWUMZCBOEAD-HNNXBMFYSA-N 354.385 3.025 0 1 FGAF COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccc(F)cc2C1 40933807 XGZZOAPITWLKJY-CQSZACIVSA-N 367.380 3.414 0 1 FGAF CNCCC[C@@H]1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O 49034489 KINFMOXIYLIVMO-CQSZACIVSA-N 366.433 3.357 0 1 FGAF COCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 221805387 RDMXBXKUWXFIGH-UHFFFAOYSA-N 362.389 3.213 0 1 FGAF in-vitro CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070819 PLZJNOTUDIACCY-OAHLLOKOSA-N 374.437 3.128 0 1 FGAF COc1cc(OC)c(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3[nH]2)c1 238775075 ACSVHOKPABBLKQ-UHFFFAOYSA-N 371.389 3.238 0 1 FGAF N[C@H](Cc1ccc(Cl)cc1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 95587856 XOXMVRWFWDMQLD-MRXNPFEDSA-N 365.824 3.209 0 1 FGAF NC(=O)c1ccc(N[C@@H]2CNCC[C@@H]2c2cccc(F)c2)c2cccnc12 143747428 ZNXXSMJRZWAOMG-DNVCBOLYSA-N 364.424 3.030 0 1 FGAF CN1CC[C@]2([C@]34CCN(C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 257428875 GSQUXSFTXJRLQJ-LUKWVAJMSA-N 360.505 3.061 0 1 FGAF endogenous,in-man CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](O)CC2)cc1 261135815 LZROSQIXTNQBAQ-CTYIDZIISA-N 352.438 3.369 0 1 FGAF CC[C@H](C)C(=O)OC[C@H]1O[C@H]1c1ccc(OC(=O)C(C)C)c(OC)c1 85671170 PSKGEGCPRNMROV-VUCTXSBTSA-N 350.411 3.286 0 1 FGAF biogenic COC(=O)c1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1OC 587124384 NQTVRQWUNNBBHS-UHFFFAOYSA-N 363.320 3.064 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CCOC)(CC(=O)OCC)CC2=O 587478689 GYXFCSHBIMFSLY-LJQANCHMSA-N 350.411 3.038 0 1 FGAF C[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175051 VUBLWRWLSUYCBN-GOSISDBHSA-N 358.300 3.168 0 1 FGAF CCOC(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228167 KCBVLVDZFFXDEI-UHFFFAOYSA-N 367.405 3.209 0 1 FGAF Nc1ncnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587000059 FCRXDHWQLJKLNQ-UHFFFAOYSA-N 370.210 3.430 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2ccc(OC)nc2[nH]1)C(F)(F)F 587091513 FBDSEDLKJKGJND-INIZCTEOSA-N 366.343 3.130 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433749 VUFKAFOAYXBATM-XBHMSOGKSA-N 359.422 3.259 0 1 FGAF CN(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 586929096 RPQMYPJQNMQWHU-UHFFFAOYSA-N 371.249 3.085 0 1 FGAF O=C(/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1 587243121 ATUPAIBEHFBICT-CMDGGOBGSA-N 362.433 3.047 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cnn(C)c1)CC2=O 587474708 HBLHQPDZPZOLRK-SQUSKLHYSA-N 355.438 3.014 0 1 FGAF COC(=O)c1cc(-n2c(O)cc(C)c2O)c(Cl)cc1Br 587935657 DXCYCZKCUWNDHL-UHFFFAOYSA-N 360.591 3.399 0 1 FGAF COc1cc2c3c(c1)O[C@@H]([C@@]1(c4cccc(F)c4)CCOC1)[C@@H](C2)C3=O 587428322 MFLGAVMWAAJLRZ-DQLDELGASA-N 354.377 3.309 0 1 FGAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587789525 DQDSUFHGBOIEMW-GLEZIHRCSA-N 367.218 3.327 0 1 FGAF O=C(O)c1cc[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592383 YGXRFXXIQBPRBM-RDTXWAMCSA-N 351.314 3.121 0 1 FGAF Fc1ccc(-n2cc([C@H]3NCCc4nc5ccccn5c43)cn2)c(F)c1 962985552 FXKLGWRSIXTHBQ-GOSISDBHSA-N 351.360 3.033 0 1 FGAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CN1CCNCC1)c1ccccc1 963231977 BWCIRRDNDXCNNP-HYBUGGRVSA-N 363.549 3.492 0 1 FGAF N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 1323931 QYKYEWVKUBSHHK-XNTDXEJSSA-N 363.782 3.499 0 1 FGAF COc1ccc(CCN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC 5965652 GOBAHDSZQSGFJC-RMKNXTFCSA-N 369.417 3.147 0 1 FGAF c1ccc2c(c1)C[C@@H]2CN1CCN(c2cccc3c2OCCCO3)CC1 13743694 ZCYSEQYIHFPUAG-GOSISDBHSA-N 350.462 3.310 0 1 FGAF NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl 169351746 FCDBJPWCYHNWFC-UHFFFAOYSA-N 360.222 3.285 0 1 FGAF COc1ccccc1[C@H]1C(c2nn[nH]n2)=C(N)Oc2ccc3ccccc3c21 1857543194 ZCTDJVVPJNODHH-GOSISDBHSA-N 371.400 3.213 0 1 FGAF NC(=O)c1ccc(-c2cc(-c3ccc(-n4ccnc4)cc3)cnc2N)cc1 205099204 STQYODSQNKZRHJ-UHFFFAOYSA-N 355.401 3.282 0 1 FGAF Nc1ccc(Cl)cc1S(=O)(=O)n1ccc([C@H](O)c2ccccc2)c1 6582152 VZIOFADUBLLKMB-QGZVFWFLSA-N 362.838 3.042 0 1 FGAF CCC=CC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC 2356399221 PXDMIVVIKCMLCB-HLNWXESRSA-N 364.482 3.116 0 1 FGAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 26749365 UKHOXDRZLIHDQY-PJCCXHTNSA-N 359.378 3.227 0 1 FGAF COCCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194954 NVJNPASMRYVJRK-GOSISDBHSA-N 353.378 3.286 0 1 FGAF O=C(O)CC[C@@H]1C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648192 RACKESAPXGJXEQ-CRAIPNDOSA-N 367.449 3.425 0 1 FGAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cc1 2356444111 KOVVNLGWYFWXGC-QFBILLFUSA-N 355.413 3.311 0 1 FGAF O=C(CNC(=O)OCc1ccccc1)N[C@H](/C=C/CF)Cc1ccccc1 26379918 KGHXGOGGDUQZEK-LKQLOZHYSA-N 370.424 3.166 0 1 FGAF COc1cc(OC(C)=O)c2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2c1 5632152 GLPSBQJDHKTMTN-UHFFFAOYSA-N 368.341 3.319 0 1 FGAF biogenic COC(=O)N1CCc2cc3c(c4c2[C@H]1Cc1cc(O)c(OC)cc1-4)OCO3 13451316 HOHBOJJFTZZXDF-CYBMUJFWSA-N 369.373 3.018 0 1 FGAF biogenic CCCCOc1ccc2cc(CN[C@H](CCC(=O)O)C(=O)O)ccc2c1 40848199 FKMFWTSWIGWTFM-GOSISDBHSA-N 359.422 3.426 0 1 FGAF Oc1nccn1CCOc1nn(-c2ccccc2F)c2ccc(F)cc12 653852839 SNNPFJPSCXRCFL-UHFFFAOYSA-N 356.332 3.285 0 1 FGAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 587095292 ZWDXGMXGNBHRFR-ZCFIWIBFSA-N 363.723 3.133 0 1 FGAF O=C(O)c1cc[nH]c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592379 YGXRFXXIQBPRBM-KDOFPFPSSA-N 351.314 3.121 0 1 FGAF NC(=O)c1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587079157 HDRMXBLWJGTNGU-CYBMUJFWSA-N 353.813 3.039 0 1 FGAF CN(C)C(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175914 XWXBLOOYSCFXMR-OAHLLOKOSA-N 365.412 3.128 0 1 FGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1 586941031 NARAOGGNPBGTNZ-VOTSOKGWSA-N 362.842 3.010 0 1 FGAF CCCN=c1[nH]c(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452638 RZVDTYMCSICJLU-YJYMSZOUSA-N 358.463 3.367 0 1 FGAF COC(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1OC 587060313 KXWCFQYAJLIBTG-UHFFFAOYSA-N 359.769 3.264 0 1 FGAF CCn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587578672 BBFHXSZIAKWCFW-PXNSSMCTSA-N 350.374 3.486 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OC(=O)C(C)(C)C)cc1 587561730 VNZLGGACZGHILU-UHFFFAOYSA-N 353.378 3.363 0 1 FGAF O=C(CCc1nc2c(Br)ccnc2[nH]1)Nc1cccc(F)c1 587162881 MMEXFWHOSHMLMW-UHFFFAOYSA-N 363.190 3.431 0 1 FGAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587775170 PHVRWZVUQYSJJU-RMLUDKJBSA-N 352.207 3.010 0 1 FGAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc([C@@H](N)N=O)cc4[nH]1)(C3)C2 587949778 BMXCZZGBDVQIPL-ZCFAJRIOSA-N 368.437 3.440 0 1 FGAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023943 SVGHKLCGOZKGBE-UHFFFAOYSA-N 356.432 3.001 0 1 FGAF Cc1cc2c(cc1O)[C@@](Cc1ccccc1)(c1ccccn1)N[C@H](C(=O)O)C2 963470828 MEOFWQUYVJWJEW-CVDCTZTESA-N 374.440 3.181 0 1 FGAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cn1 962897358 MNXWUJZGKWQURM-UGKGYDQZSA-N 362.404 3.420 0 1 FGAF Clc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cn1 1772619678 ZYXZTTOCZPRXAH-UHFFFAOYSA-N 367.844 3.034 0 1 FGAF CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@H](C)O)c12 1772597553 SAKGXVYMHLYTOQ-NEPJUHHUSA-N 369.425 3.293 0 1 FGAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)cc23)C1=O 1772657401 ODPHUKUFZYZGJJ-UHFFFAOYSA-N 356.432 3.370 0 1 FGAF Cc1cc2c(c(C)c1CCOC(=O)Cc1ccccc1)C(=O)[C@H](C)[C@H]2O 14682738 ZLODSRSPHRSTCG-QVKFZJNVSA-N 352.430 3.498 0 1 FGAF biogenic COc1ccc(-c2nnc(-c3cc4cc(C)ccc4n4nnnc34)o2)cc1 1857553948 JYJXJCJBYXDPKR-UHFFFAOYSA-N 358.361 3.312 0 1 FGAF CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@@H](NC(=O)c2ccco2)[C@@H]1O 3791290 GQDPXNCFRBOVEK-KGLIPLIRSA-N 371.311 3.181 0 1 FGAF Cn1c2c(c3cccc(S(=O)(=O)c4ccccc4)c31)[C@H]1CC[C@H](C2)N1 101471498 OUVSIXANZHJSBH-CZUORRHYSA-N 352.459 3.360 0 1 FGAF O=C(OC[C@@H]1CC=C[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 2356693625 LMUFXSQJLXONDZ-IPMKNSEASA-N 352.386 3.006 0 1 FGAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)O)s2)c1)C(=O)O 45350430 ARDGAYSKDMGALL-VIFPVBQESA-N 360.218 3.375 0 1 FGAF CC(=O)O[C@H]1c2ccccc2-c2c3c(cc4c2[C@H]1N(C(C)=O)CC4)OCO3 14618050 RECDUZGPRIBATN-UXHICEINSA-N 365.385 3.146 0 1 FGAF biogenic O=C(NCCO)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49784507 AGVMJUYBMAKEFO-ZDUSSCGKSA-N 373.280 3.475 0 1 FGAF CC(C)(O)[C@@H](O)[C@H]1COc2ccc3c(=O)cc(-c4ccccc4)oc3c21 140083785 HZOUYLWYGYACJZ-XOBRGWDASA-N 352.386 3.068 0 1 FGAF COc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(OC)c(OC)c2)cc1 38298801 CXHGAJKEPFMHME-RTBURBONSA-N 374.477 3.390 0 1 FGAF biogenic CC(C)NC(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 299824884 ILAQPWIRBOOTAI-UHFFFAOYSA-N 354.458 3.359 0 1 FGAF COc1ccc2c(c1)/C(=C/c1cc(-c3ccc4c(c3)OCO4)n[nH]1)C(=O)N2 299855664 BENWLVFZNPUEQS-CHHVJCJISA-N 361.357 3.307 0 1 FGAF COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H]1N(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587435792 KJXHPXZIIAVWMI-OQHWTSBZSA-N 371.433 3.211 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](c1ccc(Br)cc1)C3 587367135 TYQZSTWVTHJHFE-SNVBAGLBSA-N 372.222 3.471 0 1 FGAF O=C(CCc1nc2cccc(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024277 SKKKMKGKCYKAFT-UHFFFAOYSA-N 368.397 3.187 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(O)ccc31)CC2=O 587484773 ICAQBJPIBGFILA-HXUWFJFHSA-N 354.358 3.220 0 1 FGAF CCOC(=O)[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514854 KMWBBZURJUBBEK-NRFANRHFSA-N 351.402 3.384 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc[nH]c2=N)N1 587707130 UFPAWOHQVDEHCB-PWCHPLFNSA-N 371.641 3.068 0 1 FGAF N=c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c[nH]1 587001100 LFYJVFHWPPVOSN-OWOJBTEDSA-N 373.210 3.075 0 1 FGAF COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1OC 587174349 ORJTVRHYJZSHJO-LJQANCHMSA-N 356.353 3.348 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCCOC1 587868226 IRUHWYYJDYNUOZ-NSHDSACASA-N 355.316 3.039 0 1 FGAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1 587776189 BRQNPDSZPDCIFD-HWPZZCPQSA-N 350.235 3.484 0 1 FGAF COc1ccc(-c2nc3cc(F)cnc3[nH]2)c(I)c1 587180158 NXOZDXLBUHDBGG-UHFFFAOYSA-N 369.137 3.377 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCCO3 587117454 SIFQIPRUACUZJJ-UHFFFAOYSA-N 358.707 3.407 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccc(O)cc1 587613575 ZMLRGJWNYGXMBS-LAUBAEHRSA-N 362.337 3.311 0 1 FGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 587232236 UQYTZDXWSAXZHW-NEPJUHHUSA-N 365.861 3.261 0 1 FGAF CCCCCOc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br 587245914 AVLZIBUFPOZGRF-INIZCTEOSA-N 368.275 3.469 0 1 FGAF CN(C)CCOc1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 586906698 GJVHPZDGDBYAEJ-ZDUSSCGKSA-N 353.422 3.084 0 1 FGAF CCOC(=O)[C@]1(CC(=O)C(F)F)NCCc2c(Cl)cc(Cl)cc21 963115682 ANNBKPKWCVQEPS-OAHLLOKOSA-N 366.191 3.122 0 1 FGAF COc1cc2c(cc1OC)[C@]1(CCC(=O)[C@H]1CCC(C)=O)N(C)[C@H](C)C2 962567904 KDJCEPQSPBJIRP-NZCGUCNHSA-N 359.466 3.124 0 1 FGAF CC(C)(O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963216417 BRENETWAUHAATC-VQTJNVASSA-N 362.429 3.151 0 1 FGAF CO[C@@H]1Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2C(C)(C)[C@@H]1O 13459665 VOVTXFRZQXJNOQ-WOJBJXKFSA-N 368.385 3.169 0 1 FGAF biogenic,in-vitro CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(F)cc2)nc1 13588351 AYHUIJHSLYVUDV-UHFFFAOYSA-N 367.352 3.415 0 1 FGAF COC(=O)c1ccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)cc1 13677072 QVLPPNGJCGKWHJ-UHFFFAOYSA-N 365.385 3.083 0 1 FGAF Fc1ccc(-c2cccc(N3CCC(NC[C@H]4COCCO4)CC3)c2)cc1 19146857 KDRQNGYGLSQZMR-QFIPXVFZSA-N 370.468 3.467 0 1 FGAF CC(C)c1csc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n1 19789786 LPQXZEWSWISZQA-SFHVURJKSA-N 359.539 3.335 0 3 FGAF COCOc1ccc2c(c1OCOC)-c1cccc3c1[C@@H](C2)N(C)CC3 33828591 NPWPMBBGPVNIJD-QGZVFWFLSA-N 355.434 3.404 0 1 FGAF Nc1nc(N)c2nc(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)ccc2n1 26568582 WNKDDPOENUSRLM-CQSZACIVSA-N 368.872 3.444 0 1 FGAF CCCSc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O 103181484 YXGXXGROZRSZGU-UHFFFAOYSA-N 350.396 3.486 0 1 FGAF COc1cc(C[C@@H]2NCC[C@H]3C(F)=C(O)C(O)=C[C@@H]23)cc(OC)c1OC 100990512 IUCYJGARTZONQF-UPJWGTAASA-N 365.401 3.044 0 1 FGAF CCCn1c2nc(C34C[C@@H]5CC3C[C@@H](C5)C4)nc-2c2n(c1=O)C[C@@H](CC)N2 104935216 KSNFSPWAGPTPTM-NFIMNEETSA-N 367.497 3.236 0 1 FGAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCOCC2)N1c1ccccc1 26994487 KPUZUAXTLXGLSU-LJQANCHMSA-N 365.433 3.131 0 1 FGAF CC(C)(C)NC[C@H](O)COC(=O)c1cccc(OCc2ccccc2)c1 25972058 USNUYANUHNWXJN-SFHVURJKSA-N 357.450 3.171 0 1 FGAF COCc1cccc(CN(CCCCN)[C@@H]2CCCc3cccnc32)n1 66065968 OCIHURYPYFZKKV-HXUWFJFHSA-N 354.498 3.242 0 1 FGAF COC(=O)Cc1ccc(=O)oc1CC(=O)OCC=C(C)CCC=C(C)C 2356420459 BIQNCHSICZSXCV-UHFFFAOYSA-N 362.422 3.134 0 1 FGAF c1cc(-c2ccco2)cc(N2CCC(NCc3nnc4n3CCC4)CC2)c1 23379745 VJKVXFDKDRCMEO-UHFFFAOYSA-N 363.465 3.243 0 1 FGAF COc1ccc(C[C@@]2(O)c3cc(Cl)c(Cl)cc3C3=NCCN32)cc1 34821418 MLOBESGUWPLLDG-GOSISDBHSA-N 363.244 3.466 0 1 FGAF CCO[P@](=O)(O)[C@H](CCN(O)C=O)c1ccc(Cl)c(Cl)c1 72107857 QBFOWCDVFJALIB-GFCCVEGCSA-N 356.142 3.494 0 1 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1C 73313099 RVPGWCGZLVIKMK-GOSISDBHSA-N 358.438 3.486 0 1 FGAF CCOC(=O)C1=C(c2ccc3c(c2)OCO3)Nc2cccc(OC)c2C1 49067916 YGQXEXDLIBRKLH-UHFFFAOYSA-N 353.374 3.366 0 1 FGAF Cc1nc(NC(=O)CN2C(=O)OC[C@H]2C(C)C)sc1-c1ccc(N)cc1 96272399 JJSJJDRYTQMCBL-AWEZNQCLSA-N 374.466 3.116 0 1 FGAF O=C1OCC(OCCOC(=O)c2ccccc2Cl)=C1c1ccccc1 96914276 KZQHFCRIRHTBGB-UHFFFAOYSA-N 358.777 3.482 0 1 FGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 299881647 OJAOOVURWPBBAX-YQVWRLOYSA-N 372.852 3.319 0 1 FGAF O=C1CCC(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 299824244 AXXDDCYWSYOQNM-UHFFFAOYSA-N 358.810 3.488 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(F)n1)[C@@H](C2)C3=O 587427894 LBSAIGNKVZWSTD-BJOHPYRUSA-N 364.170 3.481 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587231837 RGTOYAUEIZTDQE-VXGBXAGGSA-N 370.375 3.013 0 1 FGAF COC(=O)c1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cn1 586979561 PKPFFENUIXAUFT-UHFFFAOYSA-N 361.199 3.186 0 1 FGAF NS(=O)(=O)c1ccc(CCc2nc3cc4ccccc4cc3[nH]2)cc1 586930360 QYYJRRUQUKSTOP-UHFFFAOYSA-N 351.431 3.149 0 1 FGAF COc1cc2c3c(c1)O[C@](C)(c1cc(CCC(=O)O)oc1C)[C@@H](C2)C3=O 587455945 RGPAQDGUKAOOAG-MGPUTAFESA-N 356.374 3.277 0 1 FGAF Cc1c(Br)cc2nc(CNC(=O)c3cscn3)[nH]c2c1C 587028246 NIUPQDFYBPUTRU-UHFFFAOYSA-N 365.256 3.329 0 1 FGAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCCO3 587067311 TUFMOKUOEIEFOE-UHFFFAOYSA-N 374.780 3.388 0 1 FGAF CCOC(=O)Cc1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 587566375 JTCLSJGNGBNWRR-UHFFFAOYSA-N 352.390 3.103 0 1 FGAF CO[C@@H]1COCC[C@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962639348 QDFZLKSQXZODHA-MZYLBHOOSA-N 364.489 3.064 0 1 FGAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(NC(C)=O)c(O)c1 963257429 KDECKAHVLSNKMG-LJQANCHMSA-N 360.841 3.422 0 1 FGAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CO)C1CC1 961792268 XXQDTDIAVKFVTA-NRFANRHFSA-N 358.482 3.436 0 1 FGAF CCCCN1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32 13652928 DADJALAGBHKHOC-UHFFFAOYSA-N 352.438 3.124 0 1 FGAF O=C(NCC1CC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 167663034 OASRSLKRERSVRD-UHFFFAOYSA-N 358.405 3.155 0 1 FGAF O=C(NCc1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205227268 WJYQEMKGUJAKOY-XJKSGUPXSA-N 373.815 3.424 0 3 FGAF CCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4OC)CC3)C2)C1 1857595281 BLWDTUMJQJGQSU-UHFFFAOYSA-N 373.497 3.281 0 1 FGAF O=C(Nc1ccc2n[nH]cc2c1)c1cccc(NC(=O)c2ccccn2)c1 1857641498 JWPMVZKPUUKMSF-UHFFFAOYSA-N 357.373 3.463 0 1 FGAF CCCn1c(CS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 1857645433 OERDMKOXOAFQOL-UHFFFAOYSA-N 371.462 3.379 0 1 FGAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccccc3F)cc2N1C1CC1 1857763493 YCTLWHXECSGLKI-GFCCVEGCSA-N 353.397 3.412 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(NC(C)=O)cc1 101508211 GWFBIOJMCSLYBK-PQMNFKMDSA-N 358.394 3.066 0 1 FGAF CCCc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1 26388258 MLTPRQXYQOEVHB-UHFFFAOYSA-N 357.801 3.114 0 1 FGAF Nc1nc(-c2cc(F)cc(F)c2)nc2sc(CN3CCOCC3)cc12 118598727 METFCUFMKYFOQM-UHFFFAOYSA-N 362.405 3.051 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)NC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356699522 WUJHORJLMJSWRX-IRRRHHOXSA-N 361.482 3.500 0 1 FGAF CN(C)[C@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C1 60325819 TYJYBRVLMVDOMJ-HNNXBMFYSA-N 372.465 3.436 0 1 FGAF N[C@@H](c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)C1CCCCC1 61898409 MIDSRNJTDWGLOM-QGZVFWFLSA-N 374.510 3.189 0 3 FGAF CC(C)OC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 210842995 WNSIJZXQJTZAPQ-JPHJHBEYSA-N 370.465 3.440 0 1 FGAF O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccc(F)c5)nn34)cccc12 73196196 SHECEFGNTVNGNK-UHFFFAOYSA-N 371.375 3.363 0 1 FGAF OC(O)(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 98209045 KSJFCWCEVWDLIS-UHFFFAOYSA-N 353.422 3.462 0 1 FGAF in-vitro COc1cc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc(OC)c1OC 96915210 LBUJKKLQBRWNIZ-GOSISDBHSA-N 361.419 3.197 0 1 FGAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299884232 SRRHFMWOIPRSKC-JENIJYKNSA-N 372.852 3.319 0 1 FGAF COc1cc(C(=O)c2ccn(-c3ccccc3N)c2)cc(OC)c1OC 299824311 BPXDQMUQKGJROT-UHFFFAOYSA-N 352.390 3.316 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587397514 BJZPLOLKAXHWEJ-AMLORBGZSA-N 372.465 3.414 0 1 FGAF COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 587114399 SXDVLZRKHXYJIH-LBPRGKRZSA-N 364.327 3.006 0 1 FGAF CCOC(=O)[C@H](F)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587720320 MOLLPQWJQAHUBG-AFEMSUNCSA-N 362.214 3.239 0 1 FGAF CC(C)(C)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2n1 586947998 BBEYIFJPHGYZSJ-UHFFFAOYSA-N 358.467 3.218 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)N[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587427187 CJEOXBDUBXODGQ-BUTRMIIQSA-N 365.429 3.469 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OC(C)=O)[C@@H](C2)C3=O 587441837 HWZPGLWULYXXPO-IFXJQAMLSA-N 354.358 3.118 0 1 FGAF O=C(Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1)C1CC1 587651696 CLRUSOSVKBHHAP-UHFFFAOYSA-N 367.792 3.087 0 1 FGAF CC[C@]1([C@@H](N=O)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587738575 BHZLCXIPVQKZMW-IIRLODAESA-N 373.222 3.036 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1S(C)(=O)=O)CC2=O 587489834 WDJVRNNOJKIULT-AEFFLSMTSA-N 352.452 3.036 0 1 FGAF COCOc1ccccc1[C@]1(c2cccnc2)NCCc2ccc(O)cc21 963342013 QCMAJLIWQVMCDI-QFIPXVFZSA-N 362.429 3.208 0 1 FGAF COc1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1Br 962983581 LMFKCOWOHPCCCD-INIZCTEOSA-N 358.239 3.341 0 1 FGAF CC(C)NCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772627480 RONCSWZWJWKRGN-UHFFFAOYSA-N 355.390 3.248 0 1 FGAF CCOC(=O)C1=C(c2ccccc2)c2ccccc2O[C@@H]1C(=O)OCC 13814886 LQHYSNDOJQWHER-IBGZPJMESA-N 352.386 3.376 0 3 FGAF Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)CO)cc2)cc1 13982485 HKVMTNIGZGBJRF-QFIPXVFZSA-N 355.478 3.427 0 1 FGAF CN1CCC[C@@H]1CCOCC1CCN(c2ncnc3sccc23)CC1 205802237 GRJXNQIZQDSQPC-MRXNPFEDSA-N 360.527 3.409 0 1 FGAF COc1ccc(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)cc1 1857561283 YKZOPTNCXRDNRM-UHFFFAOYSA-N 365.418 3.202 0 1 FGAF Cc1cc(C)n(-c2nnc3nc(-c4ccccc4)c(SC(C)C)n3n2)n1 1857570940 CHPMQERDXKWHQC-UHFFFAOYSA-N 365.466 3.489 0 1 FGAF COc1cc(OC)cc(C(=O)Nc2cc(-c3ccncc3)cnc2O)c1 1857654373 MYGPNOIWNUFXSX-UHFFFAOYSA-N 351.362 3.119 0 1 FGAF Cc1c(C(=O)NC[C@@H]2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 4101742 YFHMPUFRVPAYFT-LBPRGKRZSA-N 357.406 3.394 0 3 FGAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)CS2 29392378 JWBWASNFKZBCMK-UHFFFAOYSA-N 358.423 3.467 0 1 FGAF CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N1[C@@H](C)CCC[C@@H]1C 52715817 CHOINGZSOSVKFO-KKUMJFAQSA-N 356.470 3.023 0 1 FGAF O=C(c1cccc(Cl)c1)[C@](O)(Cn1cncn1)c1cccc(Cl)c1 26014323 URYVKOHIIZNIEO-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CCCCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCC(=O)O 27641087 RZCPXIZGLPAGEV-XFYWFNBGSA-N 354.487 3.043 0 1 FGAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccccc1 28520386 SICBOEKIMCIIEA-HNNXBMFYSA-N 355.463 3.263 0 1 FGAF CC1(C)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O 66139659 VMKVEFRKXCKLPA-UHFFFAOYSA-N 357.797 3.277 0 1 FGAF CC[C@@H](C)n1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O 33825064 BPZIAGQPPMDDCP-LLVKDONJSA-N 351.497 3.144 0 1 FGAF CCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212112166 ODSIOVHDIGRZQD-UHFFFAOYSA-N 372.425 3.294 0 1 FGAF CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)[C@H](c1ccccc1)CN2 82209701 RQAPIOKIMRYROG-KRWDZBQOSA-N 370.497 3.283 0 1 FGAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1)C(=O)O 40420856 RMJMVMTVRSFGAV-ICSRJNTNSA-N 353.418 3.455 0 1 FGAF O=C(N[C@@H]1N=C(C2CCCCC2)c2ccccc2NC1=O)c1ccco1 40764381 SLEIAFMHUCVJJA-SFHVURJKSA-N 351.406 3.357 0 1 FGAF CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ccccc5)c4)n3n2)CC1 96933715 GYATYABNVMZWEQ-UHFFFAOYSA-N 373.464 3.088 0 1 FGAF CCCCC[C@H](O)CC[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@H](O)C[C@H]1O 256078939 LLQBSJQTCKVWTD-KABDSRKZSA-N 356.503 3.267 0 1 FGAF endogenous,in-man COc1nccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587144874 QJKNOAQMELQYIK-LLVKDONJSA-N 365.206 3.111 0 1 FGAF N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587158920 ZCYXQSZBDGSHLS-ANRSDYALSA-N 365.181 3.340 0 1 FGAF CCOC(=O)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595579 KZIJHMIYQUYGCT-QKAVXHIFSA-N 368.385 3.456 0 1 FGAF C[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1C(F)(F)F 587099087 XCLYTBVRWQCWTD-VIFPVBQESA-N 369.368 3.381 0 1 FGAF CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1cnccn1)CC2=O 587470928 WZJBRDRYNPPMFC-KVDXNUTJSA-N 367.449 3.461 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(N)=O)cc2)N1 587749300 NLJICLAULQJXEM-ABKXIKBNSA-N 363.230 3.311 0 1 FGAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1 587584306 ZNKYQKDOEGDVNC-YLJYHZDGSA-N 350.374 3.311 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(Cc4ccco4)C(=O)C1)[C@@H](C2)C3=O 587437501 JAVBRAFDJSXUFT-KKSFZXQISA-N 365.385 3.111 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCC(=O)O)cc1)[C@@H](C2)C3=O 587440281 FWLFOBQILRQRRJ-KKSFZXQISA-N 368.385 3.212 0 1 FGAF CCOC(=O)CC[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587396310 YUWRVQHGSUJGQI-HXUWFJFHSA-N 354.406 3.176 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1C(=O)O 587868697 OZDATLQSNKYQQE-UHFFFAOYSA-N 364.283 3.055 0 1 FGAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587062294 QUXREHOTUMLKEL-LBPRGKRZSA-N 365.842 3.394 0 1 FGAF Oc1nc(O)c2ccc(-c3ccc(OCc4ccccc4)cc3O)nc2n1 587559719 LZGXCZMRAZNMOK-UHFFFAOYSA-N 361.357 3.388 0 1 FGAF COc1cc2c3c(c1)O[C@H](CCNC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587428143 HVDINSGCYCOVRW-IAGOWNOFSA-N 367.401 3.128 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cscn1 587870115 ZRCBTVNFRFMDHG-UHFFFAOYSA-N 354.313 3.118 0 1 FGAF COC[C@H](C)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181324 MWYHGIUHQQRTDN-MIUALZABSA-N 365.779 3.455 0 1 FGAF COC[C@]1(CCCNC(=O)OC(C)(C)C)NCCc2ccc(F)c(C)c21 962377823 SPIAULVDKAJOHL-FQEVSTJZSA-N 366.477 3.426 0 1 FGAF Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)OCCO3)cc1 46927555 REBMNOQUSWCXCA-WEVVVXLNSA-N 359.403 3.125 0 1 FGAF NCCCC(=O)N1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13743905 QCFYGJJTWBCGJI-KRWDZBQOSA-N 358.869 3.301 0 1 FGAF COC(=O)N1CCCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169083670 CYEYGIKHGQVFKY-CYBMUJFWSA-N 366.425 3.053 0 1 FGAF CCC[C@H](c1nnnn1C1CCCCC1)N1C(=O)C(=O)c2ccccc21 206050810 QZBUABQUYQKELU-MRXNPFEDSA-N 353.426 3.249 0 3 FGAF O=C(Nc1nccs1)N1CCN(Cc2cnc3ccccc3c2)CC1 200261217 TXMWCSRCZCXYNS-UHFFFAOYSA-N 353.451 3.041 0 1 FGAF 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3.054 0 1 FGAF C[C@@H]1CN(C2CC2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580735 DEUPFAYYNZBYIJ-MPKWNAGQSA-N 351.402 3.207 0 1 FGAF COc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C 587760316 XRMCCGUROBKVSB-AYVTZFPOSA-N 368.250 3.262 0 1 FGAF COC(=O)[C@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806077 JBNHWLKBTACQLC-QEKSWQHZSA-N 356.235 3.291 0 1 FGAF COc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391495 UODOHYALHKAHOA-FQEVSTJZSA-N 354.406 3.339 0 1 FGAF N[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1F 587149627 IDXUEQKRVFMFKY-ZETCQYMHSA-N 363.677 3.303 0 1 FGAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(Cl)cc3[nH]2)s1 587023840 JYIYPOLWNXJJEZ-UHFFFAOYSA-N 365.846 3.428 0 1 FGAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439466 UJQIATJXDQHZEA-NVAPDCRFSA-N 357.450 3.383 0 1 FGAF CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587387860 TWWUTNITYMTHKO-IZLCOFNUSA-N 360.454 3.090 0 1 FGAF CC[C@@]1(c2cc(N)ccc2C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228916 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COc1ccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(O)c2)cc1OC 587927124 NTFLKIIXAUXIDQ-UHFFFAOYSA-N 364.361 3.115 0 1 FGAF Cc1cnc(N)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748177 VOISIDFORQFEDU-PSLIRLAXSA-N 350.235 3.497 0 1 FGAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587068063 XQAACRQAQZQVJX-SNVBAGLBSA-N 365.842 3.312 0 1 FGAF CCCCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594736 IFUXRONDZXBQED-OXJNMPFZSA-N 356.374 3.456 0 1 FGAF CN1CC[C@](C)(O)[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586987720 DDRSANMOJCEYAW-MWTRTKDXSA-N 374.440 3.322 0 1 FGAF CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587397734 ARSDHXBKKGHRAZ-KRWDZBQOSA-N 371.389 3.146 0 1 FGAF N=c1[nH]cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc-2[nH]1 587109216 CQGSESLBKIRXRE-UHFFFAOYSA-N 361.249 3.345 0 1 FGAF CCOC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587217788 ZLQSDTRULNVOAF-GOSISDBHSA-N 365.433 3.468 0 1 FGAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCCC1 587567810 AEDOWDLNNJXVJT-ROUUACIJSA-N 367.401 3.029 0 1 FGAF COC(=O)c1ccc2nc([C@@H]3NCCc4c(OC)ccc(Cl)c43)[nH]c2c1 963259163 RWUGOHJVQMADQE-QGZVFWFLSA-N 371.824 3.247 0 1 FGAF Nc1noc2ccc(-c3cnc4ccc(NCc5ccccn5)nn34)cc12 1772603875 ZRWRDMHNBISNFZ-UHFFFAOYSA-N 357.377 3.127 0 1 FGAF NC(=O)c1ccc(-c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1 13580492 HHYDLEDJMDNGIO-UHFFFAOYSA-N 360.417 3.234 0 1 FGAF CCCCC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@H]1CCCC(=O)O 169622180 VRHOOVVYFPUEHK-BETIJRBISA-N 352.471 3.251 0 1 FGAF CN(C)CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1 164801262 INCRPFPMLHNJGJ-UHFFFAOYSA-N 350.401 3.258 0 1 FGAF C/C(=C\CC[P@](=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO 1857646420 VSHIPDCBCPUGHS-CSVHPWFYSA-N 355.371 3.128 0 1 FGAF O=C1N=C(N2CCN(c3ccccc3)CC2)S[C@@H]1Cc1ccccc1 4063821 XWZXMPMVMOCEPX-GOSISDBHSA-N 351.475 3.049 0 3 FGAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCO 4212856 BYUGBUMUARIWMO-OALUTQOASA-N 362.470 3.208 0 1 FGAF C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)[C@H]12 4659911 HDGBFQTWWLTXGC-RYGJVYDSSA-N 374.440 3.318 0 1 FGAF NC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)c2ccc(O)cc2O1 103253038 XFVAGJMRSYABLI-IBGZPJMESA-N 374.396 3.225 0 1 FGAF COc1ccccc1C(=O)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356291381 SFMYHERRTYVFRI-OAHLLOKOSA-N 352.390 3.067 0 1 FGAF CCSC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 29251004 CYHPTRUCQVNDNG-OAHLLOKOSA-N 369.284 3.444 0 1 FGAF CC[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccccc2)C1=O 36382433 TUGFIPLVTUUNGM-INIZCTEOSA-N 351.454 3.204 0 3 FGAF Fc1ccc2c(c1)N(C1CCN(c3ccc(-c4cn[nH]c4)nn3)CC1)CC2 225076680 MFRXAAVYDAGVMJ-UHFFFAOYSA-N 364.428 3.037 0 1 FGAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21 95596667 MNNZEZWGQJQHEV-UHFFFAOYSA-N 358.486 3.378 0 1 FGAF COc1ccc([C@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@H](OC)[C@@H]2O)cc1 238733042 XMSAJBBKVHIWMR-AHRSYUTCSA-N 360.406 3.208 0 1 FGAF c1cc2c(cc1CC[C@@H]1C[C@@H](CCc3ccc4c(c3)OCO4)N1)OCO2 96285970 BSCWPTKFQMWIPN-IAGOWNOFSA-N 353.418 3.440 0 1 FGAF CCOC(OCC)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923736 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COCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587760257 OKNQHBKYEKYECH-QLJPJBMISA-N 368.250 3.055 0 1 FGAF COC(=O)c1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cn1 587147979 DRSGXGBAWSSMTA-UHFFFAOYSA-N 369.331 3.090 0 1 FGAF Brc1ccc2c(c1)[C@@]1(CC2)NCCc2nc3ccccn3c21 962986325 SMXLXUORTUVHRF-GOSISDBHSA-N 354.251 3.432 0 1 FGAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963603986 CUZAGQKYZUNOIN-ASSNKEHSSA-N 373.449 3.336 0 1 FGAF COC(OC)c1cccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1F 963035389 RKOBOVDGOROUBK-ODXCJYRJSA-N 370.424 3.260 0 1 FGAF COC(=O)[C@H](C)NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1 1772619422 JJVUNIMHVOTYDO-ZDUSSCGKSA-N 365.389 3.022 0 1 FGAF COc1ccc(SC[C@@H](CC(C)C)N2CCN(C)CCC2=O)cc1 13830512 GZMZUDRFLNHRLU-MRXNPFEDSA-N 350.528 3.366 0 1 FGAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@@H]1C 2356456250 WKZIMJTUNFMKDY-ROVATTIISA-N 360.450 3.498 0 1 FGAF Cc1ccc(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)C2=O)cc1 4035432 CFPCDYSRROIMNF-UHFFFAOYSA-N 371.868 3.202 0 3 FGAF CCC(C)=CC(=O)O[C@@H]1[C@H](O)C[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356460116 JYNXJPVNPSRXFL-UUFVEILLSA-N 362.466 3.313 0 1 FGAF Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccco3)C2)n1 4415960 UPGSNVHJRSGDKA-YOEHRIQHSA-N 356.470 3.040 0 3 FGAF CC(C)NC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 8599889 CYDPQFXIUCSPBT-UHFFFAOYSA-N 366.387 3.390 0 1 FGAF Cn1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)cc1C=O 27647778 JJCOUPREZZLJCX-UHFFFAOYSA-N 354.406 3.046 0 1 FGAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cccc(C)n4)c3[C@@H]2C1 118094517 AADURANVKBMRSS-CJNGLKHVSA-N 366.421 3.340 0 1 FGAF CCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1cc(OC)c(OC)c(OC)c1 103889700 DZDSVOZRRCQFFU-BXWAGETQSA-N 366.439 3.320 0 1 FGAF COc1ccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)cc1 103240910 ISGOOONXUMKBBB-UHFFFAOYSA-N 352.346 3.369 0 1 FGAF COc1ccc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356301630 CEDXGUYZQGRIQG-LPHOPBHVSA-N 355.413 3.311 0 1 FGAF COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1N 28820953 KICHJNCQKGOPKN-UHFFFAOYSA-N 373.434 3.489 0 1 FGAF CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1F 34044938 ANIFHKBWUXCCBH-UHFFFAOYSA-N 370.471 3.049 0 1 FGAF COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1Cl 40897985 UZCKSUKPWOCZAS-QGZVFWFLSA-N 371.776 3.446 0 1 FGAF Cc1ccccc1-c1cnc([C@@H](O)c2cccc(CN3CCOCC3)c2)[nH]1 82083994 NZFDEYFDCWMGCV-NRFANRHFSA-N 363.461 3.299 0 1 FGAF COC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 142283282 GKLVSXDZJGPKMP-ZDUSSCGKSA-N 368.437 3.039 0 1 FGAF CCOC(=O)[C@H](COC(=O)c1ccccc1OC(C)=O)c1ccc(F)cc1 653733804 YCNVXLCPCNYTRB-QGZVFWFLSA-N 374.364 3.255 0 1 FGAF CCOC(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396544 LNCDZBSZNGDWKH-OAQYLSRUSA-N 364.401 3.482 0 1 FGAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H](C(C)=O)C(=O)OCC)CC2=O 587478800 HGRDVCDFCKXNNS-FOIQADDNSA-N 362.422 3.227 0 1 FGAF O=C(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc(C(F)(F)F)c1 587110941 GZCIKOGSNDDBNC-UHFFFAOYSA-N 359.311 3.388 0 1 FGAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382769 UVZJYPGSOWOQJM-HXUWFJFHSA-N 357.381 3.449 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(c1nnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587438182 NHLVFLBVKCKXOW-HRAATJIYSA-N 361.401 3.247 0 1 FGAF COc1cccc2cc3c(nc12)[C@]1(CCN2Cc4ccccc4N[C@@H]21)NCC3 963049823 AYJUKSZCQQDXAG-GOTSBHOMSA-N 372.472 3.242 0 1 FGAF OC(O)[C@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1ccco1 962708512 IXSQNEZHEGYREB-IBGZPJMESA-N 359.422 3.093 0 1 FGAF Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2C(=O)O)cc1 1772636796 BUQRVAOQLVXOKV-UHFFFAOYSA-N 370.224 3.257 0 1 FGAF Cc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3cccc(C)n3)no2)cn1 11937552 QFHCJULFNFFSDD-HNNXBMFYSA-N 366.421 3.021 0 3 FGAF CCCn1c(=O)c2[nH]c([C@@H](CC)Cc3ccccc3)nc2n(CCC)c1=O 12405515 ZYANKMSONHAKJX-INIZCTEOSA-N 368.481 3.443 0 1 FGAF O=c1n(CCCCNCc2ccc3ccccc3c2)c(O)c2n1CCC2 169725357 MLTZOWOQUKMZCO-UHFFFAOYSA-N 351.450 3.025 0 1 FGAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@@H]12 221935203 RJCATDRZHHIVMG-LJQANCHMSA-N 351.381 3.393 0 1 FGAF CC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1 1346324 KPEFYAGOPILWMX-UHFFFAOYSA-N 368.481 3.165 0 3 FGAF O[C@]1(c2ccc(Cl)cc2)[C@H](N2CCCC2)c2ccccc2C2=NCCN21 1662071 KVHQKANIWGGWBY-TZIWHRDSSA-N 367.880 3.398 0 1 FGAF O=C1CCN(C[C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 3795705 CJKRJBWHEVZPAO-CQSZACIVSA-N 369.292 3.192 0 1 FGAF Cc1nc2ncnn2c(Nc2ccc3c(c2)OCO3)c1Cc1ccccc1 4093106 JJOLTTJYOLRMQV-UHFFFAOYSA-N 359.389 3.496 0 3 FGAF CC(C)(Oc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)O 26399120 CHGYXVBXJVQXMC-UHFFFAOYSA-N 358.350 3.301 0 1 FGAF COc1ccc(-c2cnc3nc(N)nc(NC4CCCC4)c3n2)cc1OC 66251851 GLUOQQFJXKETHO-UHFFFAOYSA-N 366.425 3.041 0 1 FGAF O[C@@H]1c2cc(OCc3cccc(F)n3)ccc2OC[C@@H]1Cc1cccnc1 28769518 WROUZFTYIFOXHH-BTYIYWSLSA-N 366.392 3.479 0 1 FGAF COC(=O)C1=C2CCC3=C2[C@]2(CC(=O)[C@@H]4[C@H](C)CN5C[C@H](CC3)[C@]2(C)[C@H]45)C1 2356693167 ZZXVVDFMOPWZCH-ZUFPMKCDSA-N 367.489 3.276 0 1 FGAF CC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(CN4CCC[C@H]4C[C@H]12)NC(=O)O3 2356793989 HRECJCSQVHRITB-VKDXFARRSA-N 351.450 3.361 0 1 FGAF O=C(O)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 34216072 FSXFLFPVMCFSDV-UHFFFAOYSA-N 359.389 3.243 0 1 FGAF O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2ccc(Cl)cc2)C1 15674430 QJUPCPGFZDJXQP-CVEARBPZSA-N 356.813 3.093 0 1 FGAF biogenic CC(=O)NC[C@@H]1c2c(n(C)c3c(Cl)c(Cl)ccc23)C(=O)NC1(C)C 73197042 YXZWNHHOFQHYJC-SNVBAGLBSA-N 368.264 3.227 0 1 FGAF COC(=O)c1cc([C@@H](O)CN[C@@H](C)CCCc2ccccc2)ccc1O 45169084 MVIONHNYRFQXIN-YWZLYKJASA-N 357.450 3.213 0 1 FGAF CC(C)[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCCN1C#N 40423440 MANOSMRLHJERON-OAHLLOKOSA-N 354.376 3.462 0 1 FGAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C2=O)cc1OC 195218457 BPAKSIHVBSJWKO-IPZZXCBHSA-N 369.461 3.224 0 1 FGAF C[C@@H](CCC(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)s1 145974971 AHRMXPSSZCOPBH-NSHDSACASA-N 360.435 3.295 0 1 FGAF O=C(O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(Cl)cc1 95602486 MAYQXJAHRZDAQU-WUXMJOGZSA-N 366.851 3.252 0 1 FGAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)C(C)(C)C)C2)O1 96019010 IUWSQUGQPQJZFY-JXFKEZNVSA-N 352.519 3.221 0 3 FGAF N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3ccccn23)cc1 653796424 PEKSNWQXOLUWTR-UHFFFAOYSA-N 357.421 3.314 0 1 FGAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CCO)cc4[nH]3)cc2N1 587123304 HPOXYHUELFYIEQ-OTYXRUKQSA-N 365.359 3.269 0 1 FGAF COC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417999 GGTBDGWKUXDPQP-AUUYWEPGSA-N 358.777 3.165 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccccc2)N1 587827008 MLGROJXASMOSDU-GTNSWQLSSA-N 350.231 3.358 0 1 FGAF CCc1ccccc1NC(=O)c1nc2cc(C(=O)OC)c(OC)cc2[nH]1 587240584 GBJIQCVGFJBCJG-UHFFFAOYSA-N 353.378 3.173 0 1 FGAF COc1ccccc1SCC(=O)n1ncc2ccc(Cl)cc2c1=O 587655144 SUGDRBLAMFZVGE-UHFFFAOYSA-N 360.822 3.491 0 1 FGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(C)c1C 587862989 OMRXSYXWEOTFOE-UHFFFAOYSA-N 364.327 3.308 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587175149 QGTVJFNOEBAYGF-GUYCJALGSA-N 352.373 3.150 0 1 FGAF CCCS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587448651 KVUSFCVWFXHTLJ-UZLBHIALSA-N 372.442 3.368 0 1 FGAF COC[C@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)C1 14956056 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2356317545 AMQIRKAZIUNONS-MRXNPFEDSA-N 367.424 3.386 0 1 FGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 61902213 ZASJTLKVUFDOOU-MRXNPFEDSA-N 356.422 3.455 0 3 FGAF Cc1ccc(C[C@H](N)CNc2nnc(-c3ccc4[nH]ncc4c3)s2)cc1 64746696 XFEMJTFDPFGXFN-INIZCTEOSA-N 364.478 3.372 0 1 FGAF in-vitro C[C@H](CNCc1ccc2c(c1)OCO2)Oc1cccc2ccc(N)nc12 28390510 ZFFHMPKWYDLRTF-CYBMUJFWSA-N 351.406 3.103 0 1 FGAF CC(C)(C)NC[C@H](O)COC(=O)c1ccc(OCc2ccccc2)cc1 25969099 JBGFVLWOBQFDTK-SFHVURJKSA-N 357.450 3.171 0 1 FGAF CC(C)[C@]1(O)CC[C@]2(C)C=C[C@](C)(OC(=O)c3ccc(O)cc3)C[C@H](O)[C@H]21 1911577082 WTGVHFVAMPYJCG-XRYRHKQGSA-N 374.477 3.432 0 1 FGAF COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1 73294449 CMKYBUFVJSEEFL-UHFFFAOYSA-N 373.796 3.337 0 1 FGAF Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1 70460156 XIPYRBORUPIYLH-UHFFFAOYSA-N 366.494 3.370 0 1 FGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82069207 CYVPKBKJAXKHOX-QGZVFWFLSA-N 364.401 3.164 0 1 FGAF CCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081407 NAUDDJXOEPXWNS-ZDUSSCGKSA-N 361.467 3.172 0 1 FGAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(NC2COC2)o1 145437815 XQPKIOMITKLVFI-UHFFFAOYSA-N 374.404 3.363 0 1 FGAF CC(C)(C)NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 148500120 JMEYSBDXVDYRLT-UHFFFAOYSA-N 372.444 3.299 0 1 FGAF Cc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1C 586927834 XXWPYUVYLYNNAE-UHFFFAOYSA-N 356.447 3.399 0 1 FGAF COC(=O)C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382820 SMHMVWCXACKPCU-ZDUSSCGKSA-N 367.270 3.042 0 1 FGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586948650 QQIBNWMKPHWYDF-UHFFFAOYSA-N 350.831 3.428 0 1 FGAF COc1cc2c3c(c1)O[C@]1(CCCc4nn(-c5ccccc5)nc41)[C@@H](C2)C3=O 587434523 AANZFAUNXFQETL-KSFYIVLOSA-N 373.412 3.255 0 1 FGAF Brc1ccc([C@@H](c2nc3ncc[nH]c-3n2)N2CCCC2)cc1 586984073 GUHIWIUKHHNBNX-ZDUSSCGKSA-N 358.243 3.252 0 1 FGAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117635 HGXZXRCTLIMQRQ-UHFFFAOYSA-N 364.327 3.491 0 1 FGAF CC(C)(n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581523 LUITXZBKIYSDHP-OXJNMPFZSA-N 365.389 3.139 0 1 FGAF CC(C)N1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580054 BDNVRGRCQLEJDV-DHUIEDIVSA-N 353.418 3.453 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccc(S(=O)(=O)C(C)C)c1)[C@@H](C2)C3=O 587447774 FPZGFTXXJKIJAM-OXJNMPFZSA-N 372.442 3.366 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cn2)N1 587774797 XVQLIOPKTJHFQT-ABKXIKBNSA-N 351.219 3.487 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC2(C)C)N1 587833400 NBHQMAWOVBQQJB-VPTHRUTESA-N 370.218 3.095 0 1 FGAF COc1cncc(N)c1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587252774 LPEPOZVGHPNTAJ-UHFFFAOYSA-N 359.258 3.265 0 1 FGAF C[C@]1(c2cncc(F)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962978047 QOWYKKFZQILJBM-BLLLJJGKSA-N 356.731 3.015 0 1 FGAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)C(C)(C)C)[C@@H]23 1772600888 PRHJIWFTJJOPHR-MTNOOBJLSA-N 364.530 3.077 0 1 FGAF CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)CC1 13732245 ZHSYLOVCWQPBJK-UHFFFAOYSA-N 353.894 3.173 0 1 FGAF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc3ccccc23)C[C@H]2CC[C@H]1N2C 202975155 WBVZUODNCPVLSS-OAOYMFHYSA-N 353.418 3.021 0 1 FGAF CCN(CC)CC(=O)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 1857601124 RCXPBXUBEMWDIL-UHFFFAOYSA-N 359.514 3.363 0 1 FGAF CC(C)NC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)nc2ccccn12 1857616509 QWCGBCBPHNKHQE-UHFFFAOYSA-N 358.348 3.003 0 1 FGAF COc1cccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)c1 26170076 SBXMILAGIXPXOK-UHFFFAOYSA-N 360.461 3.474 0 1 FGAF CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@H]2C1=O 103260458 IZLAOVPUDFOWQL-VQTJNVASSA-N 367.493 3.285 0 1 FGAF COc1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3C2)c1 103265966 NCHSCIFTBQDTOS-UHFFFAOYSA-N 365.355 3.106 0 1 FGAF Cc1nnc(N(C)[C@@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)s1 118888210 RLHJXYAKWPXEDM-GFCCVEGCSA-N 374.441 3.019 0 1 FGAF CN(CCc1ccccc1)CCN1CCN(CCCc2ccccc2)CC1 22925728 QWXFIIPWQOCDPJ-UHFFFAOYSA-N 365.565 3.411 0 1 FGAF O=C(c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccccc1Cl 26013268 SLGHAIOMADZGCM-KRWDZBQOSA-N 362.216 3.356 0 1 FGAF CCCc1cc(Cl)c(O)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 27757418 FYCDPJINLVBRPV-ZDUSSCGKSA-N 354.878 3.221 0 1 FGAF C[C@@H](Oc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29463254 RXYFHFITBGIPAS-ILMGOGQSSA-N 368.271 3.385 0 1 FGAF CC=C(C)C(=O)OC(C)(C)[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)O1 2356618060 DCLAGIMGOADQIA-MRXNPFEDSA-N 358.390 3.399 0 1 FGAF COc1cc2ncnc(N3C[C@@H](O)C[C@H](c4ccccc4)C3)c2cc1OC 34635064 YJWMDLBLDAPTCW-HOTGVXAUSA-N 365.433 3.002 0 1 FGAF O=C([C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1)N1CCCCC1 82085358 HEKPIJYBSBCQJA-CQSZACIVSA-N 359.451 3.020 0 1 FGAF COc1c(O)ccc2c1[C@H](O)N(C)c1c-2ccc2cc3c(cc12)OCO3 653737747 PMEQPMCOYLQUEW-FQEVSTJZSA-N 351.358 3.390 0 1 FGAF Cc1cncc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019210 HLXZPKAAWOQMMN-UHFFFAOYSA-N 365.418 3.272 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](N=O)C(=O)Nc1ccccc1)O2 587392322 XYGVKYIZACDUMO-IEBWSBKVSA-N 353.378 3.075 0 1 FGAF O=C1CCC[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 586885356 MEYPJOQFTRJUTM-ZDUSSCGKSA-N 351.410 3.239 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)CCCC2=O)N1 587818014 OJHSSNDVVOXDAU-HUTHGQBESA-N 368.246 3.276 0 1 FGAF Nc1cc(C(=O)O)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587248721 CKXUGLTZRZVHFE-UHFFFAOYSA-N 367.590 3.321 0 1 FGAF CC(C)COc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br 587255957 WGWHYSXTFOAUQI-CQSZACIVSA-N 354.248 3.006 0 1 FGAF COC(=O)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587805997 IHLHPXOFRPTRQH-IEVXNVSRSA-N 356.235 3.291 0 1 FGAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(C(F)(F)F)cc1)C(O)O 963007061 FUVGGXVXMNSMEC-MRXNPFEDSA-N 357.397 3.084 0 1 FGAF CN1CCC(N2CCC(CN(Cc3ccncc3)C3CCC3)CC2)CC1 11668226 FVCSATQZLJINOF-UHFFFAOYSA-N 356.558 3.242 0 1 FGAF C[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)ccc2O)cc1 169685082 MIHWBRIDGXHMIH-LLVKDONJSA-N 352.394 3.231 0 1 FGAF CC(C)n1c(=O)nc(Nc2cccc(F)c2)n(Cc2ccc(F)cc2)c1=O 200523944 PLOUZYMGEYTAOO-UHFFFAOYSA-N 372.375 3.056 0 1 FGAF COc1cc(C(=O)c2cnn(-c3ccccc3C)c2)cc(OC)c1OC 1857653647 AGCPQDRPDBKDAD-UHFFFAOYSA-N 352.390 3.438 0 1 FGAF CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C(=O)OC)s1 1653538 NUGZBPUBMHDLLR-UHFFFAOYSA-N 357.391 3.398 0 1 FGAF CCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1 3031760 MNWDVBOZSGDYTL-UHFFFAOYSA-N 350.415 3.075 0 1 FGAF Cc1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)c1cccnc1O2 6878028 CKVBCGVIWAHOLG-UHFFFAOYSA-N 351.406 3.201 0 3 FGAF COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 103237520 SKJONSWSIFDKAN-PHZGNYQRSA-N 358.413 3.353 0 1 FGAF c1ccc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)cc1 103199993 NQZCCTKRAAVDOM-UHFFFAOYSA-N 360.421 3.318 0 1 FGAF C[C@H]1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1 117371852 JMSHIEXDPIOMCA-ZDUSSCGKSA-N 373.472 3.239 0 1 FGAF Cc1noc(C)c1Cn1cc(NC(=S)Nc2cccc(C#N)c2)cn1 115730339 JQDGCLGJCZSNHY-UHFFFAOYSA-N 352.423 3.217 0 1 FGAF COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccccc1 2356477859 KXQKSBAGVQMQSN-UHFFFAOYSA-N 352.342 3.105 0 1 FGAF FC(F)(F)c1ccc(O[C@@H]2COCCN(Cc3cccnc3)C2)cc1 2356553968 NRNHOBZIOLSMAV-KRWDZBQOSA-N 352.356 3.380 0 1 FGAF COc1ccc(NC(=O)[C@]2(C)CCN2CCc2ccccc2)cc1OC 61906654 APOKLDRVAPAEFU-NRFANRHFSA-N 354.450 3.349 0 3 FGAF N[C@]1(c2ccc(-c3nc4nc(O)ccn4c3-c3ccccc3)cc2)C[C@@H](O)C1 113660112 MTKDZBSUMDZNNJ-LMTLIKQPSA-N 372.428 3.078 0 1 FGAF Cc1n[nH]c2c1[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 34891635 MHHJMWPVWOKQER-DOMZBBRYSA-N 351.859 3.212 0 1 FGAF COc1cc(N)ccc1-c1nc(=O)c2c(-c3ccccc3F)nsc2[nH]1 84619157 FIIUDPJVOQLKNF-UHFFFAOYSA-N 368.393 3.444 0 1 FGAF O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H]1CCCN1[C@H]2c1ccccc1 96941627 JRWGGFAAWXEFJO-MUGJNUQGSA-N 364.420 3.146 0 1 FGAF C1=CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168710 RPTZKAGLEXMJOG-UHFFFAOYSA-N 359.433 3.059 0 1 FGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]12 299822544 CXVQWAXJRDNQFX-LFZHTKQVSA-N 362.466 3.210 0 1 FGAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(N)=O)cccc2[nH]1 587148010 DZWKAHUDAOBDCS-UHFFFAOYSA-N 353.332 3.008 0 1 FGAF O=S(=O)(O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037668 WKWNQZKZMYWURK-CYBMUJFWSA-N 352.462 3.250 0 1 FGAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(F)c(Br)c2[nH]1 587249392 KZIDWOVGFUSMKY-UHFFFAOYSA-N 364.174 3.336 0 1 FGAF N[C@@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1F 587144915 RBWUFRIRQRBTKP-ZDUSSCGKSA-N 364.218 3.199 0 1 FGAF c1coc(CNCc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)c1 587232199 NWMAIQHPBXWYQX-UHFFFAOYSA-N 371.404 3.088 0 1 FGAF Cc1cc(Cl)cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586935469 HLPLOVPARLZRHH-UHFFFAOYSA-N 352.847 3.207 0 1 FGAF COCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587772715 GGOXMRHRCJRKOY-JDNHERCYSA-N 366.234 3.148 0 1 FGAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587174550 KPQWRWAYPSFDKB-CYBMUJFWSA-N 356.332 3.263 0 1 FGAF CCCCc1cc(=O)oc2cc(OCc3nc4cc[nH]c(=N)c4[nH]3)ccc12 586917478 CQEMNOARWNWLDJ-UHFFFAOYSA-N 364.405 3.398 0 1 FGAF Oc1nc2cc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3cc2[nH]1 587004254 SBZBBYUTXGBRQG-UHFFFAOYSA-N 369.182 3.451 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]1NC(=O)OCc1ccccc1)O2 587388614 FFWWRVXXRYKBHS-WIYYLYMNSA-N 366.417 3.370 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1nc(C)cc(C)n1)[C@@H](C2)C3=O 587429978 FCMXCRFKOAZOLA-YWZLYKJASA-N 361.401 3.381 0 1 FGAF Nc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1CC(=O)O 587249837 OACAZKMZODVAQI-UHFFFAOYSA-N 364.174 3.341 0 1 FGAF CCOC(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587777564 RHPNQRYKOQPAPC-UHFFFAOYSA-N 367.121 3.330 0 1 FGAF COP(=O)(C[C@]1(c2ccccc2F)NCCc2ccc(O)cc21)OC 963341990 PUIFUUASKKXOTC-GOSISDBHSA-N 365.341 3.407 0 1 FGAF COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(C)=O)ccc1-c1cn[nH]c1 1772588896 PILIWAPJQLCXKO-IBGZPJMESA-N 363.417 3.015 0 1 FGAF O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1=O 1772620142 FASMNJSPCULYRR-INIZCTEOSA-N 370.836 3.035 0 1 FGAF Cc1cc(=O)c(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1 13581177 HZGQZVYIWCXRTJ-UHFFFAOYSA-N 359.378 3.069 0 1 FGAF CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 13859968 VECOVVSVBRZIJA-UHFFFAOYSA-N 369.465 3.292 0 1 FGAF COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1OC(=O)C(C)C 14728322 IGCZWOGVHOOOEO-MRXNPFEDSA-N 372.373 3.374 0 1 FGAF endogenous,in-man Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCO)cc1 169348251 ORWWOXBRAYOKKZ-DHZHZOJOSA-N 364.445 3.150 0 1 FGAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(C)c2ccc(OC(F)(F)F)cc21 206032693 AJBQMRZPPKAPNN-AWEZNQCLSA-N 368.311 3.129 0 3 FGAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccccc1OC 771738 QHRVTRHZFUYHAI-OAQYLSRUSA-N 368.433 3.151 0 1 FGAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356337455 ZCTSKBWACUAFIA-XSLLJYPBSA-N 366.457 3.401 0 1 FGAF Cc1nn(CCC(N)=O)c2nc(-c3cccs3)cc(C(F)(F)F)c12 3308433 IXVRQSPMRBIWPG-UHFFFAOYSA-N 354.357 3.362 0 3 FGAF CCN(CC)CCN1C(=O)c2c(c3c(ccn3C)c3ccsc23)C1=O 29124423 DNZVFJVZFSFLDB-UHFFFAOYSA-N 355.463 3.331 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3([C@H](O)OC1)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356566352 FBOCRPKLWNKMFW-JOAJXISGSA-N 360.450 3.260 0 1 FGAF O=C(c1nc2ccccc2s1)[C@H]1CCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 28397729 PPXMXPNQGMHBDU-WMHQRMGPSA-N 369.490 3.001 0 1 FGAF COc1cc(C(=O)N2CCC(n3c(=O)oc4ccccc43)CC2)ccc1C 28955425 RUCHIAOHJYKSFE-UHFFFAOYSA-N 366.417 3.389 0 1 FGAF COc1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2110651 QIXKCQWMAUHIGW-OAQYLSRUSA-N 361.401 3.417 0 1 FGAF biogenic O=C(NC(=S)Nc1ccc(Oc2ncccn2)cc1)c1ccccc1 35996146 HXPDMOHGAGFSHL-UHFFFAOYSA-N 350.403 3.396 0 1 FGAF CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 71318678 IXJGVCBAVZVSPL-UHFFFAOYSA-N 361.463 3.357 0 1 FGAF COc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1 95592314 JTGAYIPSWZQYIM-UHFFFAOYSA-N 355.390 3.444 0 1 FGAF OCc1ccccc1C1(O)CCN(Cc2ccc(OCCF)cc2)CC1 95601208 VPJNAFYUZUFLCT-UHFFFAOYSA-N 359.441 3.011 0 1 FGAF CC[C@@H]1C/C=C\C[C@H](c2ccc(OC)cc2OC)NC(=O)[C@H](C)CC(=O)N1 95661496 AELWNOGVSMDSML-LAPGPAHHSA-N 374.481 3.132 0 1 FGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc[n+]([O-])cc3)c2cn1)c1ccccc1 473227426 DOXGMCJRXCQGHF-CYBMUJFWSA-N 374.404 3.141 0 1 FGAF COc1cc(CN(C)[C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@H]25)cc(OC)c1OC 299845769 ZFZXJOHWFSRUAO-PDUDRTEGSA-N 355.478 3.291 0 1 FGAF COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426983 BTRSFEJRISWRFC-IIBYNOLFSA-N 367.401 3.239 0 1 FGAF CC(=O)N[C@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(C)cc1 587207823 XAXISMQJUJZJLK-OAHLLOKOSA-N 355.369 3.129 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2N)N1 587743314 CYCAOOFOYMQNQZ-ABKXIKBNSA-N 350.235 3.363 0 1 FGAF C[C@]1(c2ccc(-n3cnnn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517935 XHVSGLHYQPYKRQ-OAQYLSRUSA-N 360.417 3.422 0 1 FGAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]41)[C@@H](C2)C3=O 587445958 ZNHZOQSZFFFTEN-GIOMHKERSA-N 371.433 3.068 0 1 FGAF CC[C@]1([C@H](F)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555748 LXUWIBYHMCQSQD-YJLNNSPDSA-N 360.337 3.014 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCN(C)CC1)O2 587399643 LRKKPZHJYZFSPY-HXUWFJFHSA-N 351.450 3.036 0 1 FGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NC1CC1 587859310 VMKJGTMTUGQVJR-UHFFFAOYSA-N 368.220 3.174 0 1 FGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCc1ccc(C)cc1)[C@@H](C2)C3=O 587431312 FNADWLGJIKQVHQ-JTSKRJEESA-N 365.429 3.216 0 1 FGAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c[nH]1 587060532 HFTNVZUXWNPSGJ-UHFFFAOYSA-N 358.192 3.148 0 1 FGAF Cc1nc(Cl)c(Br)cc1-c1ccc2c(O)nc(O)nc2n1 587365863 HYIXSVLIKWONPI-UHFFFAOYSA-N 367.590 3.222 0 1 FGAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)cnc3[nH]2)CCC(=O)CC1 587235459 NKSYFXOOAQJUPW-UHFFFAOYSA-N 364.833 3.474 0 1 FGAF O=C(CCN1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661455 OTNNAOIAIPVIKJ-UHFFFAOYSA-N 365.408 3.329 0 1 FGAF CCOC(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587777774 WWMBSLIQZITOLA-UHFFFAOYSA-N 367.121 3.330 0 1 FGAF C[C@@]1(c2ccnc(Br)c2)c2ccsc2CCN1C(N)=O 962701598 BPTITCZGWWAJRM-CQSZACIVSA-N 352.257 3.106 0 1 FGAF C[C@@]1(c2ccnc(Cl)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216432 BSEMXXLWDLCLAH-BEFAXECRSA-N 371.799 3.285 0 1 FGAF O=C(Nc1nccs1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@@H]21 12479006 GEBWXVVPYKQXEZ-ZACQAIPSSA-N 367.474 3.323 0 3 FGAF Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc2ccccc2c1 13831100 DIONCOANWHHYNU-UHFFFAOYSA-N 363.413 3.387 0 1 FGAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CCC1=C(/C=C\CC2=O)C(=O)OC1 169309842 VGBNOFOWNHRFOS-ZHUBVKOBSA-N 356.374 3.053 0 1 FGAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(C)C)c1 169706950 KJCQVKLYTKGALD-INIZCTEOSA-N 354.454 3.158 0 1 FGAF O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 631147 LKOVHXXEHMZWAG-UHFFFAOYSA-N 374.393 3.150 0 3 FGAF COc1cccc([C@H]2C[C@H](c3cccc(OC)c3OC)n3ncnc3N2)c1 2916021 KJJPULLLRRJHLC-IAGOWNOFSA-N 366.421 3.450 0 1 FGAF O=C1Nc2ccccc2CC[C@H]1N1CCN(Cc2ccc(Cl)cc2)CC1 26256155 XDOUPAPTLSROOR-HXUWFJFHSA-N 369.896 3.411 0 1 FGAF COc1ccc(O)c(-c2nc(SC)ncc2Sc2nccn2C)c1 29128079 AABOPKAEEUFZRJ-UHFFFAOYSA-N 360.464 3.464 0 1 FGAF COc1cc2c(cc1[C@H]1C(=O)Oc3cc4occc4cc3C1=O)OCO2 2356708652 XPXKZRNRBZMAGU-QGZVFWFLSA-N 352.298 3.056 0 1 FGAF CN(Cc1nc2ccccc2n1CC1CNC1)[C@@H]1CCCc2cccnc21 34821216 HFNDUSMDFMWDEG-HXUWFJFHSA-N 361.493 3.160 0 1 FGAF O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1ccccc1 1911573708 FXLCGUREZULBGF-UHFFFAOYSA-N 360.339 3.275 0 1 FGAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCCOC(C)C 82203547 IWAYXFUXHYBBFU-UHFFFAOYSA-N 361.534 3.077 0 1 FGAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CC[C@H]1CCCN1C 82186113 ZZKXVHRNSPQEII-MRXNPFEDSA-N 356.518 3.331 0 1 FGAF C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 136872002 CKFAWKKKHYVXKL-LBLRVHHUSA-N 370.478 3.485 0 3 FGAF O=C(c1ccccc1)N1Cc2cc(Br)ccc2-n2nncc2C1 199735780 CIGOCFPQOBJDHW-UHFFFAOYSA-N 369.222 3.186 0 3 FGAF CS(=O)(=O)N(Cc1c[nH]cn1)c1ccc(-c2ccc(F)cc2)cc1F 96937927 OQYZVVJUKASDLI-UHFFFAOYSA-N 363.389 3.321 0 1 FGAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@H]1[C@@H]2COC[C@@H]21 148071749 GOMMYJDIGVVXTQ-HBYGRHMLSA-N 352.360 3.487 0 1 FGAF O=C(c1ccccc1)N(CC1CCC1)C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1 95895335 ZLNLDUYLZQAKDK-BHDDXSALSA-N 364.489 3.045 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@H]2CCC=C(C(=O)OC)[C@@]12C 35259365 LWGCQRKMFZQHHZ-MVTGTNJUSA-N 374.433 3.231 0 1 FGAF biogenic Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(F)cc1)C3 299866030 VBOXKKSQEAQSEF-HXUWFJFHSA-N 353.397 3.165 0 1 FGAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)nc(OC)c1OC)CC2=O 587487816 OFTAOASQMMUJHH-INIZCTEOSA-N 373.405 3.472 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCCC[C@H]12 587591869 XFJLJWVBZRSZPB-WFXMLNOXSA-N 351.402 3.351 0 1 FGAF COc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1C 587582959 RZYIQOVAMPUEBP-VQIMIIECSA-N 366.373 3.146 0 1 FGAF NS(=O)(=O)c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587960323 AGERAKVRRKLLGT-UHFFFAOYSA-N 363.442 3.468 0 1 FGAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCO3 586961987 AAEIXOJUOUDOTC-AWEZNQCLSA-N 358.423 3.382 0 1 FGAF COc1cc2c3c(c1)O[C@H]([C@H](C)Cc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587452271 KIAFXNUVJOGQQU-VNBSIWGGSA-N 352.386 3.419 0 1 FGAF NS(=O)(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052819 OKELKFGOSHYENK-UHFFFAOYSA-N 372.837 3.321 0 1 FGAF CC(=O)N1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594612 NGFLXURMIKNZSE-NQIIRXRSSA-N 367.401 3.125 0 1 FGAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587441947 VRKFTMHGIRTWJO-PYFOHURJSA-N 354.358 3.036 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2N)N1 587748412 WYWNHTSWWYORBF-JDNHERCYSA-N 350.235 3.363 0 1 FGAF Cc1ccc(C)c([C@]2([C@H]3CC[C@@H](C(=O)O)C3)c3nn(C)cc3CCN2C)c1 963955265 OVDVLWPSTHBHQF-TVTNDZMWSA-N 367.493 3.269 0 1 FGAF COc1cc(C(=O)c2ccccc2)ccc1NC(=O)[C@@](C)(O)C(F)(F)F 1539875 MXUBZPYXEHWSPQ-QGZVFWFLSA-N 367.323 3.178 0 1 FGAF CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CCSC)nc2n1 2500155 FSIXNZYNKRONRT-UHFFFAOYSA-N 354.479 3.250 0 1 FGAF Cc1ccoc1C(=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 116822039 CHFJTTMZRPWKGR-CHWSQXEVSA-N 365.355 3.210 0 1 FGAF COc1ccc(N(C)C(=O)c2c(O)c3ccccc3n(C3CC3)c2=O)cc1 100818861 RURFASVDSWVKIX-UHFFFAOYSA-N 364.401 3.327 0 1 FGAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3cc(F)ccc32)CC1 27764174 SAAZIGRYCQACNX-UHFFFAOYSA-N 369.415 3.243 0 1 FGAF CC[C@@]12C=CCN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C1)O[C@H]32 2356742236 DKJYFUMATVMRHB-CEWLAPEOSA-N 352.434 3.107 0 1 FGAF O=C(O)CCCCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 28264240 ZMQYECIGILMMEL-UHFFFAOYSA-N 373.497 3.326 0 1 FGAF C=C(c1cc(Cl)cc(Cl)c1OC[C@H](O)CNC(C)C)n1ccnc1 34593737 DGLDECLHEGUKMK-CQSZACIVSA-N 370.280 3.447 0 1 FGAF O=C1C[C@H](OCc2cc(-c3ccc4ccccc4c3)no2)[C@H]2CO[C@@H]1O2 1911572081 QNYRGJHLZJUMDO-XUVXKRRUSA-N 351.358 3.094 0 1 FGAF O=C(O)c1cnn(-c2nc(O)c3c(CC4CCCCC4)csc3n2)c1 1911574329 UHRGVSFOCQOJJB-UHFFFAOYSA-N 358.423 3.404 0 1 FGAF CCC[C@@H]1Oc2ccc(Br)cc2[C@@]2(C=C(N)OC2)C12COC2 220712854 RUHVORVUASWLJD-HOCLYGCPSA-N 366.255 3.095 0 1 FGAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@H]3N=CNC(=O)[C@@H]23)cc1 195397183 YCQVEVOYEWUITM-NNMXDRDESA-N 358.397 3.473 0 1 FGAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1F 95600678 TXDRIPWARWLSHF-SFHVURJKSA-N 365.412 3.181 0 3 FGAF Cc1cccnc1N1CCC(Oc2nccnc2C2CCOCC2)CC1 96168958 GKYKBZJRRJXNFF-UHFFFAOYSA-N 354.454 3.122 0 1 FGAF C[C@H](O)[C@@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@H]3C)OC(C)(C)C=C2 238768596 YBTZYMZAMUEVJB-MXWKQRLJSA-N 360.406 3.189 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cn1 587245430 RRGQPSORYXCYAD-UHFFFAOYSA-N 350.382 3.191 0 1 FGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 586931126 WJFHJSSBFQIULN-UHFFFAOYSA-N 364.858 3.309 0 1 FGAF COC(=O)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 587022001 SMMBPRADLZHXNN-UHFFFAOYSA-N 350.403 3.459 0 1 FGAF CCOC(=O)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595577 KZIJHMIYQUYGCT-JRQSSSKMSA-N 368.385 3.456 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCc1ccco1)CC2=O 587469501 ITZAKVDBBRBUHN-HXUWFJFHSA-N 357.406 3.368 0 1 FGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cncc(Cl)c4[nH]3)cc12 587037501 JLWKOBZNSXDOSQ-QMMMGPOBSA-N 374.857 3.359 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(N)=O)N1 587750016 QYZMQPWQXDKUCX-JDNHERCYSA-N 363.230 3.311 0 1 FGAF Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587587068 FIXXFLMOZNDRHF-VQIMIIECSA-N 365.341 3.430 0 1 FGAF COC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587803830 CAGXLZAAPJSBMG-RFAUZJTJSA-N 356.235 3.291 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccco2)N1 587827803 LBONGZPNLKAOHX-VXJOIVPMSA-N 354.175 3.044 0 1 FGAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O 587439685 MIEYDGJCTJPEKI-WCAVRKLYSA-N 363.457 3.424 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccn3n2)N1 587794533 MYTQWRHRUUMAFK-VFZGTOFNSA-N 361.218 3.255 0 1 FGAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587396023 IQIAJWTWRYAHSN-FQEVSTJZSA-N 350.374 3.092 0 1 FGAF CN=c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 587744659 SFHAIXUCQRAVOB-FVMDXXJSSA-N 350.235 3.070 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)O2 587400069 OVNORJYBMVENQJ-RMHZUWNSSA-N 358.438 3.024 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCSCC3)o1)O2 587414955 PXULJZLARIIMOP-GOSISDBHSA-N 358.463 3.426 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Cc1ccccc12 587816978 GSWYJYDNBDRPPB-YPMLDQLKSA-N 360.226 3.491 0 1 FGAF CN1C(=O)C[C@@H]2CN[C@]3(CC(C)(C)Oc4ccc(O)cc43)c3cccc1c32 963022455 JGUTUXRWJBKZDV-MCMMXHMISA-N 364.445 3.250 0 1 FGAF Cc1oc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1Br 963034428 RIUMQEYVHSEYAJ-BMLIUANNSA-N 361.239 3.493 0 1 FGAF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)NCCc3c(C(=O)O)cccc32)C1 963129498 FTIHJXPKPZEMRF-QKKBWIMNSA-N 374.481 3.393 0 1 FGAF CNC(=O)C[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491903 FZOYRIYTSQLEGS-FQEVSTJZSA-N 364.489 3.255 0 1 FGAF COc1ccc(Cc2nccc3ccccc23)c(NC(=O)[C@@H](C)N)c1OC 169323668 JJFKOVBNJBUJMB-CYBMUJFWSA-N 365.433 3.129 0 1 FGAF CNc1nc(Nc2cc3oc(=O)n(C)c3cc2Cl)ncc1C(F)(F)F 169704562 XAHLCECLVUVWOW-UHFFFAOYSA-N 373.722 3.379 0 1 FGAF Cc1nc2cnccc2n1-c1ccc(C2=N[C@@H]3CCCC[C@@H]3NC(=O)C2)cc1 169713865 GNUCRCVOUVVVDU-MSOLQXFVSA-N 373.460 3.349 0 1 FGAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccsc4)c(=O)n1c23 1857536104 JTKUNPITOYUUCD-JTQLQIEISA-N 372.421 3.345 0 1 FGAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(C2CCCC2)n1 1857770991 OUSANCUVLOSJHW-LSDHHAIUSA-N 361.467 3.282 0 1 FGAF COc1cccc(C(=O)N2N=C3CC[C@@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)c1 4321060 GMGHJFBTPZFADD-CKUKBARFSA-N 356.344 3.194 0 1 FGAF COc1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1OC 59817921 ANPQJCDRPVTKFD-IBGZPJMESA-N 364.401 3.416 0 3 FGAF O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)nc1 28648179 OKDFDEMTBGQHLA-DOTOQJQBSA-N 353.422 3.034 0 1 FGAF Cc1cccc(Nc2ccccc2C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1C 2356826891 HLEKOHRJHVCEKY-KRWDZBQOSA-N 370.405 3.095 0 1 FGAF CC(=O)O[C@@H](C[C@@H]1CC=CC(=O)O1)C[C@H](O)CCCCc1ccccc1 13341405 LIMVBVPSLMCNGN-HSALFYBXSA-N 360.450 3.344 0 1 FGAF biogenic C=CC[C@]1(OC)C=C([C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 14417019 CDPCVAVRWKUUPZ-PZVFOTJXSA-N 372.417 3.086 0 1 FGAF biogenic N=C(N)c1cccc(OCc2cccc(COc3cccc(C(=N)N)c3)c2)c1 43070719 XGOPZFQTYIEFBZ-UHFFFAOYSA-N 374.444 3.413 0 1 FGAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccccc1)N1CCOCC1 82132376 KIJCVTUGTKSMQI-UHFFFAOYSA-N 366.465 3.361 0 1 FGAF Cc1cc(N2CCCN([C@@H](C(=O)O)c3cccc(C)c3F)CC2)ccn1 95531446 UYAXTYVBPFIEDR-LJQANCHMSA-N 357.429 3.176 0 1 FGAF O=C(COc1cccc(F)c1)N1CCCC[C@H]1c1ccn2ccnc2n1 257207277 BHBPIABHKHPNFE-KRWDZBQOSA-N 354.385 3.001 0 1 FGAF Cc1nccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772295 FIYGKSUHLVTSNE-ABKXIKBNSA-N 350.235 3.484 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cn(C)nc1C)CC2=O 587477124 URRNCTAFUCTJHP-KUFMOJEASA-N 369.465 3.323 0 1 FGAF FC1(F)Oc2cc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3cc2O1 587118871 RQCPPJGAODNQQJ-UHFFFAOYSA-N 360.242 3.342 0 1 FGAF COc1ccccc1[C@]1(CNC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388189 XKFKUAWBSCNIIP-OAQYLSRUSA-N 354.450 3.445 0 1 FGAF O=CNC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579501 OKMJBJGQKRWWDR-XQAUZQBESA-N 367.401 3.029 0 1 FGAF CC(=O)N[C@@H](Cc1nc2c(C)nccc2[nH]1)c1ccc(Br)cc1 586984252 DFAPWHWPTXCELM-HNNXBMFYSA-N 373.254 3.449 0 1 FGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 586922444 MTPVMRGIQQDEOS-UHFFFAOYSA-N 369.368 3.361 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3C[C@@H](C)O[C@H](C)C3)nc1)O2 587392542 BQDRKLMMOKPNHJ-PJIJBLCYSA-N 367.449 3.292 0 1 FGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587230562 HXVMKXWSARHPKV-VHSXEESVSA-N 371.268 3.301 0 1 FGAF COC(=O)c1ncccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962696365 DJDWYHBZZULWKT-YJYMSZOUSA-N 372.465 3.460 0 1 FGAF CCc1c(CC2CCCCC2)n(COCc2ccccc2)c(=O)n(O)c1=O 1772586057 DQPGTNGRANSHRS-UHFFFAOYSA-N 372.465 3.107 0 1 FGAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)Cc1ccccc1 13488382 UZCVIBSSODXGNY-VDYYAZEHSA-N 359.466 3.172 0 1 FGAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)[C@H](C)c3ccon3)no2)cc1 15075117 ZASFRAYBDSQZGY-GFCCVEGCSA-N 369.377 3.277 0 3 FGAF Cc1nc(C2(NC(=O)c3ccc(C4CC4)c(OCC4CC4)n3)CCC2)no1 150118049 LBYUPCGPXZLHEU-UHFFFAOYSA-N 368.437 3.248 0 1 FGAF O=S(=O)(c1ccc(O)c2ncccc12)N1CCC[C@H]1Cc1ccccc1 1857630591 QAUBWXTZKQAPJV-INIZCTEOSA-N 368.458 3.336 0 1 FGAF COc1ccc(Oc2ncc3ncc(=O)n(Cc4cccs4)c3n2)cc1 4238491 CUUHOLVXIUDFAD-UHFFFAOYSA-N 366.402 3.097 0 1 FGAF COc1ccccc1C(=O)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116821827 MITFJCGNZRSBSK-GJZGRUSLSA-N 363.417 3.045 0 1 FGAF CC(=O)N1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@@H]1c1cccnc1 29245218 XCNCPBNOOUPZTL-FINBKCLGSA-N 350.447 3.182 0 1 FGAF CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H]1N2Cc1ccccc1 26734064 MFSFKJAYNZMHEN-TZIWHRDSSA-N 351.450 3.344 0 1 FGAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccc(O)cc3)no2)CC1 73199465 BJTAMXXLLRGFSW-UHFFFAOYSA-N 369.343 3.491 0 1 FGAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1I 72106706 WBMPZVQIRAQADN-KOLCDFICSA-N 372.202 3.391 0 1 FGAF Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)[C@@H]2C(=N)ON=C2N)cc1 137935045 RYOIDDVLPVVOTD-WMZOPIPTSA-N 363.417 3.271 0 1 FGAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCC(C)C)c2cc1OC 82128655 PYFBBVFUNOJOGD-ZDUSSCGKSA-N 360.458 3.306 0 1 FGAF COc1ccc2c(c1)n(O)c(-c1c(Cl)cccc1Cl)c(N)[n+]2=O 377844297 KZDWAHHYCWSZIJ-UHFFFAOYSA-N 353.185 3.358 0 1 FGAF CN(C)S(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586886453 BURTYYHOLREEBD-CTQRGLTFSA-N 359.495 3.281 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC3=C2COCO3)N1 587837410 GSEBIXBSPUURMZ-XXFAHNHDSA-N 354.219 3.370 0 1 FGAF Fc1ccc(I)cc1-c1nc2nc(Cl)c[nH]c-2n1 587182394 JIXCLKREIMUYPI-UHFFFAOYSA-N 374.544 3.369 0 1 FGAF NC(=O)c1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587613174 MNZKEQZCCLESFR-QAPCUYQASA-N 367.382 3.256 0 1 FGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cccn1 587870059 UNCSTUXCFGNAAY-SNVBAGLBSA-N 365.315 3.070 0 1 FGAF Cc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1C 586931408 BWBUXLSUVWAZHV-UHFFFAOYSA-N 359.451 3.009 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCOCC2)N1 587766888 OTTKZKHBPSIJNH-MEDUHNTESA-N 371.294 3.274 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)c2)N1 587742498 ADFDKCYBMQKPGS-XXFAHNHDSA-N 350.235 3.193 0 1 FGAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CO[C@@H](C2)O3)[C@@H]1c1ccc(F)cc1 587357268 MOAKVIGXMOOWIP-IVGZAAIESA-N 356.349 3.164 0 1 FGAF CCOC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587247027 LPMNCNJKTFPECM-NRFANRHFSA-N 365.433 3.091 0 1 FGAF COc1cc2c3c(c1)O[C@](C(=O)c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O 587435177 DJPBUQFJXJPMKH-NYHFZMIOSA-N 372.380 3.011 0 1 FGAF COc1ccc2c(c1OC)[C@]1(C(=O)Nc3cc(F)c(F)cc31)N(C)[C@@H](C)C2 962638046 UQWKMHMTWVNGRN-WVDJIFEKSA-N 374.387 3.054 0 1 FGAF COc1ccc(C[C@H](C)[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962932487 QGKCUNMWNMLNIV-BTYIYWSLSA-N 352.478 3.463 0 1 FGAF CCN(Cc1ccncc1)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 11820229 PBGSDRGFWDDBCM-UHFFFAOYSA-N 374.448 3.173 0 1 FGAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1 13607614 SICBOEKIMCIIEA-OAHLLOKOSA-N 355.463 3.263 0 1 FGAF O=C(O)C1=C[C@H](c2ccc(F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 13657341 FZQZGGQDGLIRCH-QFBILLFUSA-N 358.365 3.333 0 3 FGAF Cc1cc(NCCc2ccc(OC(=O)c3ccccc3)cc2)c2nncn2n1 169313238 JWCRCKMWOXAPDS-UHFFFAOYSA-N 373.416 3.307 0 1 FGAF COc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2ncccc21 205616053 QNYCUCZHDGLXEE-LBPRGKRZSA-N 353.205 3.189 0 1 FGAF CNC(=O)c1cccc(NC(=O)COc2cccc(Cl)c2Cl)c1 8152020 AZYUDHBCPYUEID-UHFFFAOYSA-N 353.205 3.371 0 1 FGAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O[N+](=O)[O-])C[C@]2(C)C(=O)CC[C@@H]12 26396475 BBDCOIVHIODERN-CAVMOMJPSA-N 373.405 3.224 0 1 FGAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1O2 100796078 GWGUPRNQVJIAAS-SYQHCUMBSA-N 372.202 3.115 0 1 FGAF O=S(=O)(c1ccc(Cl)s1)c1cn([C@H]2CCNC2)c2ncccc12 64479858 MRPLGTPQSAURRZ-JTQLQIEISA-N 367.883 3.118 0 1 FGAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(N)=O)c1 115765002 JWCWRVUTDSCQFM-UHFFFAOYSA-N 356.813 3.490 0 1 FGAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)OC 2356654101 NVANLIMPYROZFD-LJDSDSDDSA-N 370.530 3.355 0 1 FGAF C[C@H](C(=O)c1ccc2c(c1)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 14437630 GOQCVHOZONDOOT-TXEJJXNPSA-N 354.358 3.482 0 1 FGAF biogenic CC(=O)N1CCC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1 38267511 XICDAHNRGPXHTC-QGZVFWFLSA-N 372.400 3.254 0 1 FGAF COc1ccc(OC[C@@H](O)CNC(C)(C)Cc2ccccc2OC)cc1 42889822 NSLTWFFVUQGTEZ-KRWDZBQOSA-N 359.466 3.054 0 1 FGAF CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1OC(C)C 84712384 XRMBQLAOLMYZBR-UHFFFAOYSA-N 361.486 3.038 0 1 FGAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CC[C@@H]2O 137020123 WXDRQRFIODIFPC-MHYXUVESSA-N 360.450 3.125 0 1 FGAF Cc1nc(NC(=O)NCc2ccccc2)c2nn(-c3ccccc3)cc2n1 95582530 LUWWJYQRBDBBFJ-UHFFFAOYSA-N 358.405 3.446 0 1 FGAF O=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccccc1 473082448 HPZRTUOUHUHDIK-UHFFFAOYSA-N 356.476 3.399 0 1 FGAF O=C1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1CCc1ccc(Cl)cc1 299847318 AMRPDRKKGBUQSS-DZKIICNBSA-N 360.841 3.252 0 1 FGAF CCSC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c21 473090715 ADSZYPRONJHYEK-GFCCVEGCSA-N 361.858 3.239 0 1 FGAF CCNC(=O)Nc1cn(-c2nccc(C)n2)c2cc(-c3cccnc3)cnc12 653760735 WCQXEXPQRODTLZ-UHFFFAOYSA-N 373.420 3.327 0 1 FGAF CCOc1ccccc1[C@@](N)(c1nc2c(C)nccc2[nH]1)C(F)(F)F 587091866 GZFDPSFWBCFDBF-MRXNPFEDSA-N 350.344 3.430 0 1 FGAF CC(=O)[C@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990684 NNCCVLXKJDUVSG-KRWDZBQOSA-N 357.365 3.340 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2O)N1 587771573 MMPZGPAJQNASST-FVMDXXJSSA-N 351.219 3.487 0 1 FGAF COC(=O)c1cc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c2cn1 587930231 RDKDYHPOSAQANB-SNAWJCMRSA-N 353.378 3.018 0 1 FGAF COC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595776 STAWYSGLIMOGNO-OXJNMPFZSA-N 356.374 3.312 0 1 FGAF O=C1C[C@@H](c2nc3ccc(Cl)nc3[nH]2)CN1Cc1ccc(F)cc1F 587148678 JXQRCUVGADDQOS-SNVBAGLBSA-N 362.767 3.406 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587117914 XYNOUVWRHRYAAM-UHFFFAOYSA-N 370.644 3.396 0 1 FGAF Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C 587759300 ZYDZXXDWFAVALO-ABKXIKBNSA-N 352.251 3.428 0 1 FGAF Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccccc2F)nc1CC3 587368261 LVVMNHYAZATCDK-UHFFFAOYSA-N 366.377 3.464 0 1 FGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586938122 VBOXBSHXELHGTE-SNVBAGLBSA-N 364.858 3.355 0 1 FGAF COc1cncc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c12 586974988 ZUUIJNJJUJPLPG-HNNXBMFYSA-N 356.451 3.077 0 1 FGAF CCOc1ccccc1[C@](N)(c1nc2ccnc(OC)c2[nH]1)C(F)(F)F 587092448 NCMYLRYQGLABLM-INIZCTEOSA-N 366.343 3.130 0 1 FGAF N=c1nc(O)c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2[nH]1 587125838 UEYDIKTYXFHGNF-UTCJRWHESA-N 353.329 3.253 0 1 FGAF N[C@@H](N=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175147 QGTVJFNOEBAYGF-DYVFJYSZSA-N 352.373 3.150 0 1 FGAF Cn1ncc2ccc([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962761900 HXGLBNRUKVVHJQ-LPHOPBHVSA-N 373.378 3.483 0 1 FGAF O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NC1=NCCS1 13139982 ROAMDMXJRNCEBJ-MPLXBHQASA-N 357.317 3.329 0 1 FGAF CC(=O)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1 13150623 SKIBXTJEPBLUCD-PMSBKCLSSA-N 365.433 3.331 0 1 FGAF COc1ccc(N2C(=O)CN(C(=O)[C@H]3CC34CCCC4)CC2(C)C)cc1 15007900 XVHUKAIVVKOMTI-QGZVFWFLSA-N 356.466 3.229 0 1 FGAF COC(=O)c1cc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@]3(C)O2)ccc1Cl 169689368 XDVWRPVMYPJFNI-HDICACEKSA-N 361.781 3.359 0 1 FGAF CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@@]3(C)[C@@H]24)CO1 163774563 QBCPPXUWUDONEX-SEPVDIHQSA-N 364.482 3.445 0 1 FGAF O=S1(=O)N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21 1857634096 GFQLWAABHQEGQR-INIZCTEOSA-N 360.826 3.133 0 1 FGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356371632 NCTRVSNQAKOTOR-HWCCDPAYSA-N 353.466 3.124 0 1 FGAF Nc1c(C(=O)NCc2cccs2)nnn1-c1ccc(Cl)cc1Cl 2957621 OIHBSAXIXBPPEO-UHFFFAOYSA-N 368.249 3.148 0 1 FGAF COc1cc([C@@H]2OC[C@]3(O)[C@@H](c4ccc(C)c(C)c4)OC[C@H]23)ccc1O 2356423626 IFLMVBKWPMANPM-UMSONDCASA-N 356.418 3.208 0 1 FGAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C2CC2)no1 3590218 FYRUZCAOVYQMAJ-UHFFFAOYSA-N 353.426 3.371 0 1 FGAF O=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCCC3)cccc21 28136473 PJCJBLKNRMXCEV-UHFFFAOYSA-N 370.474 3.353 0 1 FGAF CCOc1ccc(CCNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1 82203951 GOXUWSPRRLUBAO-IRXDYDNUSA-N 370.497 3.452 0 1 FGAF COc1cc2ccc(=O)oc2cc1OCC=C(C)[C@@H](O)CCC(C)(C)O 2356504322 MJQRENNKEPLHRN-HNNXBMFYSA-N 362.422 3.039 0 1 FGAF CCCCCC(=O)CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356527066 VKTIONYPMSCHQI-YDZRNGNQSA-N 354.487 3.475 0 1 FGAF O=c1ccc(-c2ccccc2)nn1CCCNC(=S)NC1CCCCC1 27215378 SWFUOPACCVAQEA-UHFFFAOYSA-N 370.522 3.097 0 1 FGAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2CCC3)cc1 35814417 VPVXBWMLSPOFOK-UHFFFAOYSA-N 366.446 3.023 0 1 FGAF COc1ccc([C@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1 14644134 SGWLCEXRWADMOA-CYBMUJFWSA-N 360.362 3.133 0 1 FGAF biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(C)c3o2)ccc1O 14647608 ZXHSVGRAAQVCTA-UHFFFAOYSA-N 358.346 3.205 0 1 FGAF biogenic COc1cc(NC(=O)[C@H]2CSC(c3ccccc3)=N2)cc(OC)c1OC 40391961 MHWDKANJKAEHGL-CQSZACIVSA-N 372.446 3.213 0 1 FGAF Cc1ncccc1-n1c(/C=C/[C@H]2CS[C@H](C)N2)nc2ccccc2c1=O 87723046 WBWAZJZTZKCTRD-SPZIKGKASA-N 364.474 3.153 0 1 FGAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cccc(OC(C)=O)c1 96900189 IZZLFFZMDUTGGB-LXMVLSBBSA-N 359.378 3.033 0 1 FGAF O=C1OCCN1CCOc1nn(-c2ccccc2F)c2ccc(F)cc12 653848761 OUJVZOIGICOMBJ-UHFFFAOYSA-N 359.332 3.135 0 1 FGAF COc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587773436 ILSTVUVNKFQISG-XLKFXECMSA-N 352.207 3.010 0 1 FGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(F)cc1 587568983 GTEFXAFNDPFZQG-RXVVDRJESA-N 366.344 3.381 0 1 FGAF Cc1cc2c(O)nc(O)nc2nc1[C@H]1CCCCN1C(=O)OC(C)(C)C 587559353 YAHJDTDOKOIBIC-GFCCVEGCSA-N 360.414 3.207 0 1 FGAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)CC(=O)c2cc(C)cc(N)c2O1 587380335 STAAWZAMJMTBDE-SFHVURJKSA-N 360.797 3.049 0 1 FGAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)CN1C 587580307 BXHGISQXQNCNQY-ZXALIEMXSA-N 353.418 3.453 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4[nH]c(=N)oc14)[C@@H](C2)C3=O 587423102 UCRMPPTZABCMMN-QFYYESIMSA-N 356.765 3.391 0 1 FGAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587530779 HATIKUYHIXBNFT-OAQYLSRUSA-N 350.370 3.441 0 1 FGAF COC(=O)[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107533 UGVQFPPCQWMBKZ-OAHLLOKOSA-N 357.365 3.218 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ncon3)cc1)O2 587396336 ZWWLVCBBTQHVQH-QGZVFWFLSA-N 351.362 3.246 0 1 FGAF CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(cccc3n1)CC2 587212070 KQWKTPSEXSKXRU-SFHVURJKSA-N 370.408 3.302 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3OC(C)(C)O[C@H]32)N1 587837760 KXFXRMRCJYTUDJ-MEZCYXNBSA-N 368.246 3.408 0 1 FGAF CS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1 587655209 WPVIXDDDIZVGTA-UHFFFAOYSA-N 369.229 3.096 0 1 FGAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587938743 ZLQFBBMGBRNPGG-VBKZILBWSA-N 369.465 3.349 0 1 FGAF C[C@@H]1OC=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587350988 HMQJSGISFWIOQW-LFBSBKMHSA-N 354.333 3.131 0 1 FGAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@]21c2c(F)cccc2C[C@H]2CCCN21 963098349 GMAMMIZSQHLFFW-SZNDQCEHSA-N 362.408 3.227 0 1 FGAF C[C@@H](c1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1)N(C)C 962931747 PEFUUJONONZCNJ-YCRPNKLZSA-N 351.494 3.246 0 1 FGAF O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1 11934558 NEHMBGOWUSGTLI-HNNXBMFYSA-N 354.360 3.353 0 3 FGAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 13339048 WGCXTGBZBFBQPP-KKUAIEMYSA-N 366.498 3.340 0 1 FGAF C[C@@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O 13814153 DZCOYZZMNDSFMD-FZKQIMNGSA-N 367.380 3.034 0 3 FGAF O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC1Cc2ccccc2C1 14995966 MHUOYMZDGVURFP-OAQYLSRUSA-N 368.502 3.003 0 1 FGAF Cc1cccc2c1[C@@H](C(C)C)N(C(=O)CNCC1(O)CCCCC1)CC2 169089853 ZWYXVTJZBHMQHD-OAQYLSRUSA-N 358.526 3.362 0 1 FGAF COC(=O)[C@@]12C[C@@H](C)[C@H]3[C@@H](C)[C@H](c4ccccc4[C@@H]31)N2C(=O)C(F)(F)F 169352796 CTAGORHSTSPKPD-DYLHCTRSSA-N 367.367 3.433 0 1 FGAF O=C1c2cccc3cccc(c23)C(=O)N1CCCN=c1[nH]c2ccccc2[nH]1 1857600919 NYDOFXZFFWMVRT-UHFFFAOYSA-N 370.412 3.236 0 1 FGAF CCOC(=O)[C@@H](C)N[P@@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857614943 YGSLLMNEAQXTQJ-TUMROOAMSA-N 355.371 3.128 0 1 FGAF COc1ccccc1N1CCN(CCCN2CCOc3ccccc32)CC1 1857646374 HSMLZVIIFUAIOX-UHFFFAOYSA-N 367.493 3.106 0 1 FGAF OCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 220710052 DSAVVGVFQNXAFR-SFHVURJKSA-N 366.490 3.433 0 1 FGAF CC[C@@H](C)NC(=O)CN1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 4972145 YAUOAXGFZRFVIU-HZPDHXFCSA-N 363.461 3.174 0 1 FGAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1cnc2ccccc2c1 103253061 KKMGNWHBVHGYRJ-SFHVURJKSA-N 362.385 3.198 0 1 FGAF C[C@@H](n1ncc2ccccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951783 YKWWOKMXGYYNMA-BFUOFWGJSA-N 369.375 3.055 0 1 FGAF CC=C1CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)cc64)OC[C@H]3[C@H]1C[C@@H]25 2356450059 HBPGSKLHBXLGBP-VMAVIFJISA-N 352.434 3.054 0 1 FGAF CCCO[C@@H](CNC(=O)C=Cc1ccc(O)c(OC)c1)c1ccc(O)cc1 2356507642 ZIJXIGDTQVXINA-FQEVSTJZSA-N 371.433 3.404 0 1 FGAF O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2Br)C1 28653857 PNVFQNPFMGVTKU-KBAYOESNSA-N 368.315 3.386 0 1 FGAF Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)cc(C)n1 29461970 LZXNQROVCONBQR-LBPRGKRZSA-N 350.374 3.332 0 1 FGAF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc(F)c2)cs1 82192118 NSSYYFKPFFAIRZ-HNNXBMFYSA-N 373.457 3.220 0 1 FGAF CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40918440 BYZZRTNQROTLCL-IBGZPJMESA-N 358.507 3.257 0 1 FGAF O=C(O)CCNCCOCCN1c2ccccc2Sc2ccccc21 96929376 SUXKPJVVZARYPS-UHFFFAOYSA-N 358.463 3.370 0 1 FGAF O=C(CSc1nc2ccccc2[nH]1)n1ncc2ccc(Cl)cc2c1=O 587653667 DDVVCTHOKMWRBO-UHFFFAOYSA-N 370.821 3.359 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cnccn2)N1 587774695 NYECVNCGMZDWRN-QFYYESIMSA-N 350.235 3.370 0 1 FGAF Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1Br 586979110 GUHGORGRVKYEDL-UHFFFAOYSA-N 373.210 3.335 0 1 FGAF COC(=O)c1cccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174586 LKDNABHEMFZJLF-CQSZACIVSA-N 352.369 3.212 0 1 FGAF CCOc1n[nH]c(-c2nc3cc(OC)c(C)cc3[nH]2)c1Br 586980242 TXQBUDFOSGYLOQ-UHFFFAOYSA-N 351.204 3.431 0 1 FGAF Sc1nc(S)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2n1 587232448 URALFTSCROPQRQ-UHFFFAOYSA-N 369.475 3.480 0 1 FGAF FC(F)(F)c1c(Br)ccc2nc(C[C@@H]3COCCO3)[nH]c12 586908462 BIMQFORUDQAHSU-SSDOTTSWSA-N 365.149 3.302 0 1 FGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cncnc4[nH]3)c2C1 587034992 RGEWVRYRTFDKBX-UHFFFAOYSA-N 357.439 3.375 0 1 FGAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccnc1Cl)[C@@H](C2)C3=O 587423298 WMSWWUDDOIXVBK-AQRZKXPKSA-N 370.836 3.462 0 1 FGAF Cc1ccc(C2=C(c3nn[nH]n3)C(=O)N[C@@](C)(c3ccc(C)cc3)C2)cc1 1772613868 DIJUYHBIXUHDIO-OAQYLSRUSA-N 359.433 3.163 0 1 FGAF COCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C 13816474 GIGCYKQVKJSJAN-ONERCXAPSA-N 358.360 3.012 0 3 FGAF COc1cccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)c1 169715448 VJXQHMLSJYZWBU-BUXKBTBVSA-N 373.405 3.209 0 1 FGAF CC1(C)CC(Nc2nccc(=NCc3ccc(F)cc3)[nH]2)CC(C)(C)N1 1857557205 ULRTZCAYOKULEK-UHFFFAOYSA-N 357.477 3.371 0 1 FGAF CO[C@@H]1C[C@H](CC[C@@H]2C(=O)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C(=O)O1 2356377548 CYEDQJFHAOSLCB-HDFSJNALSA-N 366.454 3.179 0 1 FGAF CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 2975113 XEECIOKPNFRUJW-GOSISDBHSA-N 373.478 3.346 0 1 FGAF Cc1ccc(-n2nc(-c3cccnc3)cc2C(=O)N2CCOCC2)c(C)c1 3292846 NCYFEXBOUQPVLO-UHFFFAOYSA-N 362.433 3.024 0 3 FGAF CC(C)(C)OC(=O)N1C(=O)C[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 27441497 FJLDPSORVKXTBD-JYJNAYRXSA-N 359.422 3.292 0 1 FGAF O=C(Nc1ccccc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 102198562 YENMKMXLFIMTQU-UHFFFAOYSA-N 357.369 3.344 0 1 FGAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccncc3)c3ccccc23)on1 29416878 PFJLGABNPSRLCC-UHFFFAOYSA-N 360.373 3.202 0 1 FGAF Cc1cc([C@H](O)[C@@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)ccc1O 28952028 CYEOKZJIXIYTOM-FOIQADDNSA-N 359.441 3.245 0 1 FGAF CS(=O)(=O)c1sc(C(=N)N)cc1-c1nc(-c2ccccc2)cs1 26828241 RXDJGNGQMFXKIN-UHFFFAOYSA-N 363.489 3.226 0 1 FGAF Cc1c(C(C)C)c(=O)on1C(=O)N1CCC(C(=O)c2ccccc2)CC1 26848759 QYRWRPGOXJDFSP-UHFFFAOYSA-N 356.422 3.436 0 1 FGAF Nc1nc2c(s1)[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 34891834 NZTIWRLDGRISFM-GXFFZTMASA-N 369.899 3.219 0 1 FGAF CS(=O)(=O)Nc1cc(CCc2ccccc2)cc2ccc(C(=N)N)cc12 71788656 PBZHZVQKTBAGET-UHFFFAOYSA-N 367.474 3.281 0 1 FGAF COc1cc(Nc2cncc(Oc3ccncc3)n2)cc(OC)c1OC 40979886 KXNQDPMBAZZLDS-UHFFFAOYSA-N 354.366 3.433 0 1 FGAF O=C1c2ccccc2[C@@](NCCO)(c2ccccc2)N1Cc1ccccc1 40575660 YDEXYJLOXGPAIX-HSZRJFAPSA-N 358.441 3.126 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1O)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 143188541 IRKBJATUVHHXPU-NDOAPPMPSA-N 360.450 3.260 0 1 FGAF O=C(COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144831504 GPUGGRPTSUSZPB-GOSISDBHSA-N 363.335 3.076 0 1 FGAF COc1ccc(C(=O)c2c(OC)cc(OC)c(-c3ccnn3C)c2O)cc1 95593407 IQIZWQFWTVWPNE-UHFFFAOYSA-N 368.389 3.050 0 1 FGAF c1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)nc1 96168857 VBSVJQSHDAXINX-UHFFFAOYSA-N 355.401 3.354 0 1 FGAF COc1cncc(-c2cc(-c3cn4cccc(C(N)=O)c4n3)ccc2F)c1 96916094 SARIPUBCVDFZTH-UHFFFAOYSA-N 362.364 3.310 0 1 FGAF CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21 143908495 YXIVCZGIYADXQC-NSHDSACASA-N 364.858 3.144 0 1 FGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2CNCC)cc1 95871905 WUTWOTUGUGYJMW-FNOOTYBYSA-N 356.510 3.175 0 1 FGAF COc1ccc2[nH]c(-c3ccc(NC(=O)CCCC(=O)O)cc3)nc2c1 299838505 UUEXDTDXYFFNRA-UHFFFAOYSA-N 353.378 3.432 0 1 FGAF C[C@H]1C[C@@H](C)C[C@@H]([C@@H]2C[C@@H](CC(=O)NC3CCCCC3)CC(=O)O2)[C@H]1O 299816580 GZWODCBDYVQTID-AHXXCNRMSA-N 365.514 3.190 0 1 FGAF CCC(=O)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1 653714159 HGYGBTOOXZZVLD-UHFFFAOYSA-N 360.483 3.432 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1/SCC(=O)N1C)(C(C)(C)C)O2 587412417 CCMTVXPIPIJCIA-SCFJZMLDSA-N 360.479 3.374 0 1 FGAF COCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587584936 CBRUAPBYSGUAIQ-VQIMIIECSA-N 353.330 3.230 0 1 FGAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 587235808 UXGXZVVKATWFDQ-CHWSQXEVSA-N 357.458 3.398 0 1 FGAF COC(=O)c1cc2[nH]c(COc3ccc(C)cc3OC)nc2cc1OC 587563629 GQLOQWNDQMIEKZ-UHFFFAOYSA-N 356.378 3.254 0 1 FGAF COC(=O)c1ccnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229975 OATWVIRGCPACEW-UHFFFAOYSA-N 359.389 3.419 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)c2)N1 587742495 ADFDKCYBMQKPGS-ABKXIKBNSA-N 350.235 3.193 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(N)=O)s2)N1 587849301 SFIFUXPAJQCMCB-WJWGPLDTSA-N 369.259 3.372 0 1 FGAF COC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087368 PFRYDLHQRILASL-UHFFFAOYSA-N 365.984 3.219 0 1 FGAF CCOC(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 587787170 QPFVJQRMSWBFCD-UHFFFAOYSA-N 354.362 3.236 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CO)c2)N1 587824983 FDMYHQXYSNYNRL-HUTHGQBESA-N 366.230 3.410 0 1 FGAF C[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1C(F)(F)F 587097482 JEDMWQJOXLGWQG-VIFPVBQESA-N 369.368 3.381 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cn2)N1 587735768 VABIYUTVPCVQPG-GLEZIHRCSA-N 354.198 3.315 0 1 FGAF O=C(NCC1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655939 IUKFDEZRPWKKQO-UHFFFAOYSA-N 355.344 3.309 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)n2cncn2)N1 587757285 GSCYNDZNWFFMOP-QLJPJBMISA-N 367.266 3.364 0 1 FGAF Cc1c(O)ccc2c1[C@H](C=C(C(F)(F)F)C(F)(F)F)N[C@H](C(=O)O)C2 963556390 XDRIEBAEZZDTFT-IUCAKERBSA-N 369.261 3.392 0 1 FGAF CCOCOc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963030389 NMWOSPBFNKDDJC-YCRPNKLZSA-N 352.434 3.202 0 1 FGAF CC1=C([C@]2(C)NCCc3c(C)ccnc32)[C@H](c2ccc(F)cc2)CC(=O)N1 963082534 BGYBEUROPURQLZ-AVRDEDQJSA-N 365.452 3.468 0 1 FGAF CC(C)(C)OC(=O)N1CC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)C1 205771696 JBPRNRPMVKPCEG-WMZOPIPTSA-N 355.438 3.071 0 1 FGAF COc1cc2c(c(OC)c1OC)c1c3c(cc4c1n2C(=O)CC4)CNCC3 13558723 LCQFWMFZOXYQKN-UHFFFAOYSA-N 366.417 3.052 0 1 FGAF OC(c1ccccc1)(c1ccccc1)c1noc([C@H]2CN3CCC2CC3)n1 13887305 OFFGOUURBVXUDV-IBGZPJMESA-N 361.445 3.163 0 1 FGAF COc1ncc(F)cc1Cn1cc(C(=O)NC[C@H](C)F)c2ncc(C)cc21 169353743 VWYBAGJZWVNCBR-LBPRGKRZSA-N 374.391 3.024 0 1 FGAF O=C1C[C@@H](C(=O)Nc2cc(C3CCCCCC3)n(-c3ccccc3)n2)CN1 169707007 KHARGAUWKQXYEQ-MRXNPFEDSA-N 366.465 3.385 0 1 FGAF CC1=NC[C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccc(C)cc23)N1 1857580265 NROCYIRJNRNAGU-GOSISDBHSA-N 353.447 3.249 0 1 FGAF COc1ccc2cc([C@@H](C)C(=O)NN3C(=O)c4ccccc4C3=O)ccc2c1 114132426 LJXMYXRQNQFLRF-CYBMUJFWSA-N 374.396 3.279 0 1 FGAF CCC1=NN(C(=O)c2cccnc2)[C@@](O)(c2ccc(Br)cc2)C1 4201232 KZXXNPJBVAJXOU-KRWDZBQOSA-N 374.238 3.301 0 1 FGAF O=c1c(-c2ccc(F)cc2)nc2cncnc2n1Cc1ccc(F)cc1 4238583 IRERBAPJPAMZEP-UHFFFAOYSA-N 350.328 3.180 0 1 FGAF O=C(C1CC2(CCN(c3ccccc3)CC2)C1)N1CCN(C2CCC2)CC1 103243068 XYZBZWHSHNAJBO-UHFFFAOYSA-N 367.537 3.380 0 1 FGAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccco2)O3)c1 61902676 FZCIRMHKIQPUSQ-LJQANCHMSA-N 362.385 3.164 0 3 FGAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@H](C2)N(CC2CCC2)CC[C@]341 29230627 PAXDZHPBDVTZOB-ZOXYRRNRSA-N 367.489 3.350 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]3CC2 2356456764 PHVBYKAXONRGRQ-SVMKMBGISA-N 362.510 3.460 0 1 FGAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@@]1(C)O 2356523663 AFIBREVUBDLIAK-PWRODBHTSA-N 356.441 3.028 0 1 FGAF COC(=O)[C@@]12CCC[C@]3(CO[C@@H]1O)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356609648 IRKBJATUVHHXPU-BJFRIKOJSA-N 360.450 3.260 0 1 FGAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)[C@@H]1C=CC[C@](C)(O)[C@@H]1O3 2356710243 VHWDGAJVLZBHQV-DKIOLRDMSA-N 370.401 3.103 0 1 FGAF C[C@H](CO)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28478185 VWGCYFFHTNPOHC-SNVBAGLBSA-N 361.797 3.194 0 1 FGAF CC(C)NC[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 29562096 IEGWZBGSVZFWHJ-INIZCTEOSA-N 353.418 3.198 0 1 FGAF CN(CC[C@@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)O)c1ccccc1 2356817892 DOMKWKYHLRXQKF-DLBZAZTESA-N 370.449 3.359 0 1 FGAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 64446761 YCQVEVOYEWUITM-IPJJNNNSSA-N 358.397 3.473 0 1 FGAF CN(C)Cc1nnc2n1-c1ccc(Cl)cc1N(c1ccccc1)C(=O)C2 39193618 KHHDXYMUKHSYNL-UHFFFAOYSA-N 367.840 3.203 0 1 FGAF NC(=O)Nc1snc(S[C@H]2CCc3cc(Cl)ccc32)c1C(N)=O 36348980 HEBJWJMMXHCUJW-VIFPVBQESA-N 368.871 3.166 0 1 FGAF Cc1ccc(C(=O)N[C@@H]2CCCCN(Cc3cccc(F)c3)C2=O)cc1 199410051 QGNNLWUYKGXMEE-LJQANCHMSA-N 354.425 3.445 0 3 FGAF CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220721375 BQRSNFDKRVTNIT-CQSZACIVSA-N 363.820 3.021 0 1 FGAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1 95578107 HTBCXNBZJPZOBH-FCHUYYIVSA-N 372.472 3.065 0 1 FGAF O=C(NC[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)c1ccccc1 95895540 LYKIWLGSUKNKFQ-FDFHNCONSA-N 362.473 3.100 0 1 FGAF O=C1O[C@]2(C(=O)N(c3ccc(Cl)cc3)C(=O)N2C2CC2)c2ccccc21 653847639 HUNOMXIPOSNRET-IBGZPJMESA-N 368.776 3.294 0 1 FGAF Clc1cccnc1-c1nc2cc(I)cnc2[nH]1 587065739 WRMYLBGWUGSLJL-UHFFFAOYSA-N 356.554 3.278 0 1 FGAF C[C@H](Cc1ccnn1C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581211 KXHPRZDTEQKPIP-LZHZSBQWSA-N 364.401 3.335 0 1 FGAF NC(=O)c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082551 RXLVMZKXIKUIIO-UHFFFAOYSA-N 367.796 3.215 0 1 FGAF CC[C@H](C(=O)OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590684 CWIPUCVHAPJTFT-AUJRIZCKSA-N 356.374 3.312 0 1 FGAF O=C(Nc1ccccc1Cl)c1nc2cc(CN3CCOCC3)ccc2[nH]1 587060585 PGIIZTBLVQAGRD-UHFFFAOYSA-N 370.840 3.301 0 1 FGAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587233640 VANJXYRJHSGOTK-HUBLWGQQSA-N 359.430 3.447 0 1 FGAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587116528 GFJCZFSKLIJVTB-UHFFFAOYSA-N 356.695 3.218 0 1 FGAF CCCCOc1cc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br 587235299 MYNKIDAGIIDOJD-ZJUUUORDSA-N 366.259 3.354 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccn3)C[C@H]1C)O2 587393028 FRTIHYWQPHKJFD-QVKFZJNVSA-N 351.450 3.218 0 1 FGAF Cc1ccc2nc(-c3nccnc3I)[nH]c2c1C 587186683 ORSDOTUZLLYNKD-UHFFFAOYSA-N 350.163 3.241 0 1 FGAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1 586918360 XKEZFDSZTMJLBD-KKSFZXQISA-N 350.418 3.314 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]1NC(=O)OCc1ccccc1)O2 587388611 FFWWRVXXRYKBHS-NQIIRXRSSA-N 366.417 3.370 0 1 FGAF CC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(cccc3n1)CC2 587212068 KQWKTPSEXSKXRU-GOSISDBHSA-N 370.408 3.302 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccnn1C)CC2=O 587474855 HZWGKNFAFZMPJT-QXHGNLAOSA-N 355.438 3.014 0 1 FGAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cn1 587247806 UJWWTRNZEGZNGM-OAHLLOKOSA-N 352.398 3.333 0 1 FGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1-c1cccnc1 962905215 WUADPPFOMOITFK-PMACEKPBSA-N 365.408 3.317 0 1 FGAF Cc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)n1 1772594363 XRMJPVIAEPOYKG-UHFFFAOYSA-N 360.373 3.164 0 1 FGAF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 5189633 FFVRRQMGGGTQRH-YWKPPDPDSA-N 354.450 3.042 0 1 FGAF Cc1ccc(C2(c3noc(CN(C)C[C@@H]4COCCO4)n3)CCCC2)cc1 11816968 DCCSQDFQZVNSCD-GOSISDBHSA-N 371.481 3.085 0 3 FGAF C[C@@H](NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 15967803 DCQFARAGFSBCSN-LLVKDONJSA-N 352.346 3.055 0 1 FGAF biogenic CCCCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1 169334058 QOLJJSZGVISTMD-QGZVFWFLSA-N 364.486 3.146 0 1 FGAF CCOC(=O)[C@@H]1C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc(OC)c1 169726029 ICHYZHZZUDJRPQ-SJLPKXTDSA-N 368.458 3.293 0 1 FGAF COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12 207587064 RVNLAISERMFIRL-UHFFFAOYSA-N 351.385 3.222 0 1 FGAF Cc1ccc(OC[C@@H](O)CNCC2(c3cccs3)CCOCC2)cc1 1857646691 VMYFKYLXVJPVED-KRWDZBQOSA-N 361.507 3.134 0 1 FGAF OCCOc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114032935 HRCKLYFDWWYCLS-LJQANCHMSA-N 363.461 3.292 0 1 FGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4C(C)C)C[C@@H]3C2)n1 116823980 VTHDGBFCMFXWBE-QZTJIDSGSA-N 364.493 3.425 0 1 FGAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](OC)[C@H]1OC(=O)CN(C)C 2356702667 OZPUDNHYNHCYDF-FYZZASKESA-N 365.514 3.369 0 1 FGAF COc1ccc2c(c1)CN(C(=O)NCc1ccc3c(c1)CCO3)CCS2 35283924 DNOXAJZQTIXKOU-UHFFFAOYSA-N 370.474 3.448 0 1 FGAF CN(C)C(=O)Oc1ccc2cc(C(=O)N(C)C)ccc2c1Br 84706405 GZHIDPJCSHIJGR-UHFFFAOYSA-N 365.227 3.365 0 1 FGAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1 95555090 PJWXGJMLDUIEPG-QGZVFWFLSA-N 373.478 3.183 0 1 FGAF Cc1nc2ccccc2n1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 653793697 XJMSMCPJXGVMCL-FCHUYYIVSA-N 360.461 3.311 0 1 FGAF C[C@@H](Sc1ncccn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586964207 YPFXVRWNNVAHLK-CYBMUJFWSA-N 355.467 3.038 0 1 FGAF CCOC(=O)CC[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436249 OXGWVBNWAQHIFL-QVKFZJNVSA-N 367.401 3.076 0 1 FGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1CCF 587552737 BYJXKVNGGYXQLF-APWZRJJASA-N 354.337 3.261 0 1 FGAF C[C@]1([C@]2(Cl)CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541867 GKQUQEQMEDZIQI-JVPBZIDWSA-N 374.776 3.037 0 1 FGAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCC3)nc1)CC2=O 587474347 GYFLVADPVCZDJN-GOSISDBHSA-N 353.422 3.441 0 1 FGAF COc1ccc2occ([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 587410619 YWQRPICYOOKROQ-SFHVURJKSA-N 351.358 3.399 0 1 FGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1 587225431 QYZFHYMBWXMQKK-UHFFFAOYSA-N 373.800 3.110 0 1 FGAF N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]1c1ccccc1F 587155644 JLWUSBPMQAFMMB-JKYUHCHBSA-N 371.725 3.457 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c[nH]nc32)N1 587795887 PDGLSYUGCINAFI-FVMDXXJSSA-N 350.235 3.425 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)C(C)C)c1)O2 587410238 WLIWGNIJQATJDQ-GOSISDBHSA-N 359.447 3.466 0 1 FGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Cc1ccccc12 587816977 GSWYJYDNBDRPPB-XTZNXHDOSA-N 360.226 3.491 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]ccc2=N)N1 587748769 YIYANMARRMGOJV-JDNHERCYSA-N 350.235 3.193 0 1 FGAF C[C@]1(c2cc(Cl)nc(Cl)c2N)NCCc2c(C(=O)O)cccc21 963129032 DKLSRZTUNHLGGM-INIZCTEOSA-N 352.221 3.078 0 1 FGAF Nc1c(C(=O)NC2CCNCC2)sc2nc(-c3cccs3)ccc12 1857537678 FQILYVZYHOURSO-UHFFFAOYSA-N 358.492 3.089 0 1 FGAF O=C(N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12)c1cnco1 1857606635 DKLRUHMNLNNQRG-UHFFFAOYSA-N 352.781 3.400 0 1 FGAF O=C(NC1CC1)c1nn2c(c1-c1cc(F)c(Cl)cc1F)OC[C@@H](F)C2 1857632125 QMOPFHQOZKALTC-ZETCQYMHSA-N 371.746 3.104 0 1 FGAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCCCO)c(O)c12 1857650560 OAWXAXSKGMRGCT-UHFFFAOYSA-N 356.374 3.413 0 1 FGAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 3830712 XEYBRNLFEZDVAW-KYTOGMRYSA-N 352.471 3.251 0 1 FGAF CCCc1nc(SC)ncc1C(=O)NCCCN1CCCC[C@@H]1C 6938457 XDWVIOIUYZMSTK-AWEZNQCLSA-N 350.532 3.145 0 1 FGAF CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1 101712025 MESXUKOOJXWYFP-ZREINDOBSA-N 353.494 3.101 0 1 FGAF CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100109325 ANNVFFHLHGZAGR-ACDBMABISA-N 353.441 3.352 0 1 FGAF CCOC(=O)c1s/c(=N\Cc2ccccc2)n(-c2ccccc2)c1N 103199697 PCRAWKIOTYUIBX-VZCXRCSSSA-N 353.447 3.399 0 1 FGAF O[C@H]1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2Br)C1 28653860 PNVFQNPFMGVTKU-CGTJXYLNSA-N 368.315 3.386 0 1 FGAF COC(=O)[C@@]12CCC[C@@]3(CO[C@@H]1O)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356609649 IRKBJATUVHHXPU-GEZHBFNWSA-N 360.450 3.260 0 1 FGAF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2OC(C)=O 2356735941 RIAASXVFZZPXSS-LHBCVHRWSA-N 354.450 3.185 0 1 FGAF CCc1cc(=O)oc2nc(OCc3ccccc3C(F)(F)F)[nH]c(=O)c12 34605468 VSGKVKJCHROFDG-UHFFFAOYSA-N 366.295 3.037 0 1 FGAF CC(=O)c1cccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1 38248895 CGXMLTSZMHGHDD-FQEVSTJZSA-N 357.475 3.351 0 1 FGAF COc1ccc(Oc2cc(N(CCO)Cc3ccccc3)ncn2)cc1 82067317 UXQSBWGXJGGJEM-UHFFFAOYSA-N 351.406 3.276 0 1 FGAF CCOc1ccc(CCNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1 82203949 GOXUWSPRRLUBAO-IAGOWNOFSA-N 370.497 3.452 0 1 FGAF Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nn(CC(C)(C)O)c1C 95565231 JMZRNYHZGLFWCL-UHFFFAOYSA-N 363.889 3.092 0 1 FGAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(c5nn[nH]n5)CC[C@@]43C)[C@@H]1CCC(=O)N2 653712864 WRAXYRCDSVZVRY-MWTROVGWSA-N 353.470 3.024 0 1 FGAF O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2N1 587042773 GNZIWLCBIHDSMW-UHFFFAOYSA-N 353.403 3.435 0 1 FGAF O=C1CSc2ccc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 587044178 RBMGIWGLJINUPQ-UHFFFAOYSA-N 361.224 3.432 0 1 FGAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587173884 CEJHKURYEJTUAB-ZDUSSCGKSA-N 356.332 3.263 0 1 FGAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587224478 IRETZLGZYXJJRW-MRVPVSSYSA-N 367.302 3.203 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C[C@H]1CN3C(=O)OC(C)(C)C)O2 587397923 CNRHEOXYJIJWDK-MRRFBWAASA-N 358.438 3.311 0 1 FGAF CCOC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596000 MMTVXSUYWLNUQL-OXTHUFEASA-N 368.385 3.456 0 1 FGAF CCCCn1c(O)nc(-n2nc(-c3cccc(F)c3)cc2OCC)cc1=O 587872669 QJJSJJREISTTLV-UHFFFAOYSA-N 372.400 3.140 0 1 FGAF O=C(CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1 587162694 IAHIEVCYOJVWGB-UHFFFAOYSA-N 367.424 3.350 0 1 FGAF O=C(NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)OCc1ccccc1 587874122 UWUFTEJFJFCJFS-UHFFFAOYSA-N 367.336 3.362 0 1 FGAF Oc1nc(O)c2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587152168 XBAMFARUKBSRFG-CQSZACIVSA-N 370.315 3.211 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3n[nH]cc32)N1 587795161 NNQPMRSXUKRICW-JDNHERCYSA-N 350.235 3.425 0 1 FGAF COc1cccc(-c2cc(O)cc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587931585 BCISKWDGUQBLHK-UHFFFAOYSA-N 366.402 3.395 0 1 FGAF C[C@@]1(C[C@H]2CCCC(=O)N2)NC2(CC2)Cc2ccc(Br)cc21 961611844 DSNIAPOVRBMMPZ-PBHICJAKSA-N 363.299 3.401 0 1 FGAF NC(=O)N1CCCc2cc(-c3cncc(-c4cccc(CO)c4)c3)cnc21 1772651511 VLUGLQWJXOGFSY-UHFFFAOYSA-N 360.417 3.134 0 1 FGAF CC[C@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 1772607930 SRGBGHPTXUIAOR-YGRLFVJLSA-N 365.836 3.109 0 1 FGAF CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccnn3C)C2)cc1 12072704 VWBMQAOJOWMESA-IBGZPJMESA-N 354.498 3.013 0 3 FGAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(F)cccc3F)nc21 13475185 ODHWLOJXFMYAOQ-UHFFFAOYSA-N 356.332 3.132 0 1 FGAF Cc1c(C(=O)c2ccc(N)cc2)c2ccccc2n1CCN1CCOCC1 13820980 BJUURCMGJYQCBH-UHFFFAOYSA-N 363.461 3.095 0 1 FGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cn1)C(=O)O 1645834 OJEGKGGNZVAUDI-KRWDZBQOSA-N 372.421 3.181 0 1 FGAF CC(=O)O[C@@H]1[C@@]2(C)C=C[C@]13[C@@H](CC2)[C@@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O 2356606378 NHTHQAOIQLEDDF-DOZGXVTPSA-N 362.510 3.460 0 1 FGAF CC1=C2CC[C@](C)(O)CCC[C@](C)(O)[C@H]3CC[C@@](C)(C[C@H]2OC1=O)O3 2356849598 PXEMQPAVJBVDGS-ZJXIFLPPSA-N 352.471 3.022 0 1 FGAF CN1CCN(CCc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1 38391705 LHVZIVINDLUJBO-UHFFFAOYSA-N 364.518 3.499 0 1 FGAF O=S1(=O)N(CC[C@@H]2CCCNC2)c2ccccc2N1c1ccccc1 72120306 HXPJUTFPDVBIKT-INIZCTEOSA-N 357.479 3.279 0 1 FGAF CCCCCN1C(=O)[C@](CO)(c2ccc3c(c2)OCO3)c2ccccc21 71335449 OKBTXGHJHQFMET-OAQYLSRUSA-N 353.418 3.231 0 1 FGAF COc1cc2c(c3c1OCO3)[C@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2 14488374 KCYVBPCJWBVYJQ-JWCBKOKGSA-N 370.401 3.217 0 1 FGAF biogenic O=C(CNC(=O)c1csc(Nc2ccccc2)n1)NCC1CCCCC1 82084837 LHNVKNSTNZSDIY-UHFFFAOYSA-N 372.494 3.313 0 1 FGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2nocc2C1 40895648 FVLVETKUEQQGET-NRFANRHFSA-N 368.525 3.066 0 1 FGAF in-vivo CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Cl)cn2)n1 221128434 WIAMETNABDUINA-CMPLNLGQSA-N 362.821 3.074 0 1 FGAF N=C1S/C(=C\c2c[nH]nc2-c2ccc(O)cc2)C(=O)N1c1nccs1 40916196 YEZYIYROJHUBNM-ULDHIOLDSA-N 369.431 3.294 0 1 FGAF CCOc1ccc(Nc2c(C)c(NCCCCN)nc3ccnn23)cc1 95556416 ZLMZJHJVSYIKCF-UHFFFAOYSA-N 354.458 3.331 0 1 FGAF C[C@@H]1C(=O)c2c(cc3cc(O)c4c(c3c2O)C[C@@H](C)OC4=O)C(C)(C)C1=O 85798438 VLWLCFZSWPLWOA-RKDXNWHRSA-N 368.385 3.032 0 1 FGAF biogenic O=S(=O)(c1ccc(-c2nnc(C3CC3)o2)cc1)N1CCc2ccccc21 299822068 OFRYOILQPWGJDF-UHFFFAOYSA-N 367.430 3.365 0 1 FGAF O=C(O)c1ccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1 587560686 ILDODAKTONIWGL-UHFFFAOYSA-N 359.341 3.468 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587408203 OCQBEOWEBFUGQT-ICPULLGDSA-N 371.433 3.007 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cccc(C(F)(F)F)c21 587384303 ZZIIVGGLCVAFKT-QGZVFWFLSA-N 362.307 3.409 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nc2)N1 587773282 QCDMZTCBMGAMIZ-JDNHERCYSA-N 351.219 3.487 0 1 FGAF COc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1F 587194071 KQOJCJIASIEMLI-LBPRGKRZSA-N 366.437 3.228 0 1 FGAF COC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2n1 587067935 BMNMKPOPQHURHY-UHFFFAOYSA-N 353.769 3.455 0 1 FGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](C)NC(=O)OC(C)(C)C 587650254 HULJHTBBCXWWEJ-NSHDSACASA-N 352.456 3.466 0 1 FGAF N[C@H](Cc1ccc(I)cc1)c1nc2ccccc2[nH]1 587185419 JQBSPKDCWNKPKW-GFCCVEGCSA-N 363.202 3.410 0 1 FGAF COC(=O)/C=C/c1ccc(O)c(Oc2ccc(CCC(=O)OC)cc2)c1 13383421 SVHVUJXOBGSWIX-KPKJPENVSA-N 356.374 3.476 0 1 FGAF biogenic,in-vitro CCN(CC)c1ccccc1C[S@](=O)c1nccn1-c1ccccn1 13746175 XSTKEEDPXBWERP-RUZDIDTESA-N 354.479 3.421 0 1 FGAF CC1=C[C@H](O)[C@H](O)C=CC=CC=CC=CC=C[C@H](C)CNC(=O)C=CC=C1 1857597921 UCCPCDUFJCGUEI-BDTNDASRSA-N 367.489 3.314 0 1 FGAF O=C([C@H]1C[C@@H](NCc2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1 1857629332 IGBOMRFQBQSZPX-DHIUTWEWSA-N 371.484 3.202 0 1 FGAF CCCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)c3ccccc23)c1 1857756438 GAZHULPXZIYCQP-UHFFFAOYSA-N 356.447 3.357 0 1 FGAF O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1Cc1ccc(F)cc1 4238414 NTLUXFCBPBWONP-UHFFFAOYSA-N 368.318 3.319 0 1 FGAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 4894523 JQTOJNNWHKJNRC-LIRRHRJNSA-N 352.434 3.307 0 1 FGAF Nc1nc(-c2ccco2)c2ncn(Cc3cc4c(cc3Cl)OCO4)c2n1 28521101 FZABPMWAXZBSBJ-UHFFFAOYSA-N 369.768 3.099 0 1 FGAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=C[C@@H](O)[C@H]12 2356759930 LOUCJBIZSPLEFL-RTIGGILPSA-N 372.505 3.380 0 1 FGAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 837400 RCLXAPJEFHPYEG-ROUUACIJSA-N 357.381 3.031 0 1 FGAF biogenic CCCCNc1nc(N2CCCC[C@H]2CCO)nc2c1NCN2C(C)C 70719318 JDFXENINBATMFP-HNNXBMFYSA-N 362.522 3.028 0 1 FGAF O=C(NO)c1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1 138912319 FKRZYXOYAFPVNK-UHFFFAOYSA-N 359.389 3.356 0 1 FGAF Cc1ccc(S(=O)(=O)N2C(=O)c3cc4ccccc4n3C2=O)cc1C 89456527 GLFZZTVGJCFDHT-UHFFFAOYSA-N 354.387 3.071 0 1 FGAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(O)cc3)ccc12 96905453 SCCCIDSJFLGGJH-IBGZPJMESA-N 352.415 3.321 0 1 FGAF CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1nnnn1Cc1ccccc1 95600098 KRVAGPHIHIAUNV-LJQANCHMSA-N 361.449 3.313 0 3 FGAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc[nH]2)C1 95565843 XJZPTHODBGOSSZ-UHFFFAOYSA-N 362.220 3.236 0 1 FGAF CC[C@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@H]2CCC=C(C(=O)OC)[C@]12C 85847980 LWGCQRKMFZQHHZ-PKWFDQRFSA-N 374.433 3.231 0 1 FGAF biogenic O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587203104 NPFQVCKNVXLDDS-ZDUSSCGKSA-N 374.784 3.054 0 1 FGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C3CC3)C(=O)C2)N1 587768231 LWLGPEKWGHYXJF-QGHHPUGFSA-N 367.262 3.103 0 1 FGAF C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCCC1 587661879 SPKVDDXUXUVTIP-CQSZACIVSA-N 365.408 3.327 0 1 FGAF COc1cc2c3c(c1)O[C@@]1(CCCc4oc(C)c(C(=O)O)c41)[C@@H](C2)C3=O 587455718 POVNLXNVFYGRKX-YUNKPMOVSA-N 354.358 3.274 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)C2(C)C)N1 587824679 CLCQSCNOSCKXBN-OGOZKOCGSA-N 356.235 3.448 0 1 FGAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1ccccc1N)[C@@H](C2)C3=O 587431462 GHKUUNSMYZFIJA-AOMKIAJQSA-N 358.397 3.364 0 1 FGAF CCc1cc(O)nc(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 586966593 KHKZNSVXCCVTCT-UHFFFAOYSA-N 358.320 3.470 0 1 FGAF Nc1ccc(-c2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)cc1N 586970272 VVCPGNVAROALEQ-UHFFFAOYSA-N 363.446 3.320 0 1 FGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]nc3ncccc23)N1 587797901 SPBZSLYBFKOZCP-VXJOIVPMSA-N 361.218 3.483 0 1 FGAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O 587400268 PVPVGNKPZCILHJ-HXUWFJFHSA-N 355.390 3.392 0 1 FGAF Cn1nnc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1C(F)F 587129686 ZKLRTPVPTVDKIM-UHFFFAOYSA-N 355.352 3.127 0 1 FGAF CC1=C(c2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)NNC(=O)C1 587175306 XRSGYGAXZSLNAE-QGZVFWFLSA-N 364.380 3.134 0 1 FGAF CC1=C[C@@]2(C(=O)CN1C)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962639537 LLCIQGSPNRUKCM-QPPBQGQZSA-N 373.500 3.047 0 1 FGAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1cc(C(=O)O)co1 961321377 JKCPVTSDGKUAAC-HXUWFJFHSA-N 359.422 3.145 0 1 FGAF CC[C@H]1Cc2ccccc2[C@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269329 IMJLRAWMYALBDD-HJPURHCSSA-N 361.441 3.225 0 1 FGAF Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1 1772582002 IAWAYNWTMCDCCM-UHFFFAOYSA-N 369.816 3.019 0 1 FGAF OCCCNc1nccc(-c2cc(Nc3cccc(Cl)c3)ncn2)n1 13682597 GIYJWNPAJFHPEI-UHFFFAOYSA-N 356.817 3.125 0 3 FGAF O=C(O)CC(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761238 VQDSZOQHKBQYIC-UHFFFAOYSA-N 356.765 3.262 0 1 FGAF COc1nc2ccccc2cc1/C=C/C(=O)NC1=C(C(=O)O)CCCC1 169326324 OWHBVBAVTDDJLL-ZHACJKMWSA-N 352.390 3.286 0 1 FGAF NC(=O)c1ccc(Oc2ccc(CNCCc3cccc(F)c3)cc2)nc1 164916599 GAWYOWAUOWGOAG-UHFFFAOYSA-N 365.408 3.444 0 1 FGAF O[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205255411 CSYZJSGDIIBSMR-OAHLLOKOSA-N 372.432 3.043 0 1 FGAF Cc1cc(F)ccc1[C@@H]1c2ccc3cccnc3c2NS(=O)(=O)N1C 205633554 FTRKAMBMHNUURY-GOSISDBHSA-N 357.410 3.374 0 1 FGAF COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)=O)c1 7992144 VZCQXKQDISUSLN-CEWLAPEOSA-N 354.402 3.334 0 1 FGAF CCC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2 100911831 XSCLLXQHZKNMDH-KQTLUZQSSA-N 369.246 3.494 0 1 FGAF CC(=O)Nc1ccc(C(=O)OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 101500141 NWXXDFOOEHAFBN-LAUBAEHRSA-N 372.465 3.229 0 1 FGAF COCCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21 104036892 OUSPRDLREDTPRW-VLGSPTGOSA-N 365.462 3.222 0 3 FGAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 117589032 PBVXQXJOCDUMFL-UHFFFAOYSA-N 370.409 3.106 0 1 FGAF COC(=O)/C=C/c1cc(Br)c(OC)c(Br)c1O 28652130 FTNQOSMXIPKYKT-ONEGZZNKSA-N 366.005 3.112 0 1 FGAF C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C[C@@H](C)N1 28006868 YNLMVLOZEASXEZ-SSCQCSDVSA-N 362.558 3.453 0 1 FGAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2cncnc2)C=C1C 2356705774 DCHMEPRMQDZOGD-LZLYRXPVSA-N 359.470 3.014 0 1 FGAF CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(CC(=O)OC)C1)[C@H]32 2356759272 XXLGNVWUAFQREB-FDFHNCONSA-N 368.477 3.343 0 1 FGAF CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)N(C)C(=O)N1 73295360 CHOKMSXEYKIBHJ-GOSISDBHSA-N 358.438 3.486 0 1 FGAF O=c1c(-c2cccnc2)c[nH]n1-c1nnc(-c2ccc(Cl)cc2)s1 43195337 GAWDPRMWKGOYSD-UHFFFAOYSA-N 355.810 3.400 0 1 FGAF COc1ccc(CCC(=O)c2ccc3c(c2O)C[C@@H](O)C(C)(C)O3)cc1 103233418 SXUATLUQEIRYSG-LJQANCHMSA-N 356.418 3.291 0 1 FGAF biogenic COc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 299857993 PJUHRHBOIUIZGY-LLVKDONJSA-N 363.797 3.161 0 1 FGAF COc1cc2nc(-c3cccc(O)c3)cc(C(=O)O)c2c(OC)c1OC 653729344 UBAYXXYBIBFOHE-UHFFFAOYSA-N 355.346 3.331 0 1 FGAF CCCCOC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594735 IFUXRONDZXBQED-JXFKEZNVSA-N 356.374 3.456 0 1 FGAF CC1=C[C@]2(CC(=O)N1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587759652 LSCHIXHYVXRXPN-JDNHERCYSA-N 353.235 3.084 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(C)=O)C(=O)OCC)CC2=O 587480441 JWEFMZQCXHKLTR-FOIQADDNSA-N 362.422 3.227 0 1 FGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccncc1)CC2=O 587490043 OGIROGBYLJEZFA-FQEVSTJZSA-N 355.390 3.164 0 1 FGAF COC(=O)C1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc2O1 587384709 NLZJWFBPZILORM-HXUWFJFHSA-N 369.348 3.026 0 1 FGAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC(C)=O)c1)[C@@H](C2)C3=O 587442748 LHWLRTOVZQGNCB-VBKZILBWSA-N 354.358 3.118 0 1 FGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)O2 587402363 ZOCUQESKXLHYEE-BXJCWQANSA-N 358.438 3.453 0 1 FGAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC(F)(F)C[C@@H]2N 962401171 VYRHAFPPUWUCRO-FUHWJXTLSA-N 351.466 3.487 0 1 FGAF c1ccc2c(c1)OC[C@@H](CN1CCN(c3cccc4ccoc34)CC1)O2 13738310 PZUUOYODGXEKIF-QGZVFWFLSA-N 350.418 3.395 0 1 FGAF COc1cc(O)c2c(c1)O[C@H](c1c(OC)cc(OC)cc1OC)CC2=O 14643427 JEXUYOSYJIRTIF-KRWDZBQOSA-N 360.362 3.133 0 1 FGAF endogenous,in-man C[C@]1(c2ccc(Cl)cc2)NC(=O)N(C(=O)c2ccc(F)cc2F)C1=O 1857575706 JNLBXMBIDXNDRZ-QGZVFWFLSA-N 364.735 3.226 0 1 FGAF CC(=O)c1cccc2c1[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2 836240 KIMBEMGTTFRRCW-MSOLQXFVSA-N 357.381 3.031 0 1 FGAF C[C@H](c1ccncc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 101366432 MUZLNSIUFMZLMA-XUMLPFHTSA-N 351.450 3.316 0 1 FGAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(C2CCCC2)C1 58583989 LFPJNVOQBIQWAA-ZDUSSCGKSA-N 355.360 3.370 0 1 FGAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)CO)cc2)cn1 116485264 FRHRKRYYSSROEE-HNNXBMFYSA-N 358.438 3.091 0 1 FGAF CCC[C@H](OC(C)=O)C1=C(Br)C(=CBr)OC1=O 2356470405 ZHKRZTOJPXQAJI-ZETCQYMHSA-N 368.021 3.160 0 1 FGAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)Nc2ccccn2)C[C@@H]1C(C)C 2356760781 NDQQPKWNEWQOFA-OKZBNKHCSA-N 373.497 3.027 0 1 FGAF CC[C@@H](C)[C@H](NC(=O)C=CC=CC=CC=CC1=CN(C)CN1C)C(C)=O 2356823914 GQBNCARFPBZUBK-UTKZUKDTSA-N 357.498 3.007 0 1 FGAF C/C=C1\CN2CCc3c4c[cH-]ccc-4nc3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 70455504 NYASZAFKORRGLP-DLTYQINTSA-N 365.453 3.474 0 1 FGAF biogenic,in-vitro COc1cccc(-c2nc(SC)nc3sc(C(=O)N(C)C)c(N)c23)c1 40565349 WGTWYHBBGDOBHL-UHFFFAOYSA-N 374.491 3.373 0 1 FGAF CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)C1 82203918 ZATDNGGJPFESOO-RZFLPCETSA-N 362.518 3.404 0 1 FGAF CCc1ccc(S(=O)(=O)N2CCC[C@@](O)(c3ccccc3)CC2)cc1 43119765 BUVJJRPTSWXSAA-FQEVSTJZSA-N 359.491 3.311 0 1 FGAF in-vivo COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N(C)C(C)C)n2)cc1 82067241 QDIDQJBBOFZXOF-MRXNPFEDSA-N 373.457 3.108 0 1 FGAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC1CCC1 146659148 OGIZPFDDOBNJOF-UHFFFAOYSA-N 365.429 3.278 0 1 FGAF COc1ccc([C@H]2NC(=O)Nc3c2c(=O)oc2ccc(C)cc32)cc1OC 96931699 KYCLISLDKGLXMZ-QGZVFWFLSA-N 366.373 3.343 0 1 FGAF CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc1ccccc1 98207742 UDSHKAAJKDFNDC-AAKUMTKESA-N 351.339 3.177 0 1 FGAF in-vitro O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccccc1 68586777 VIGJBVGXROLPJQ-UHFFFAOYSA-N 350.758 3.461 0 1 FGAF biogenic COc1ccc2c(c1)O[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O 299856428 BWLWFYRMBSOENZ-GOSISDBHSA-N 370.357 3.252 0 1 FGAF O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cnc[nH]1 473160553 YIVMEYZFMUFIQM-UHFFFAOYSA-N 366.764 3.116 0 1 FGAF Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473104892 PKNDKNOTAPATHZ-ZDUSSCGKSA-N 361.369 3.312 0 1 FGAF O=C1C[C@H](c2nc3cc(Cl)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587147843 CACUFCPMVFRHMO-JTQLQIEISA-N 362.767 3.406 0 1 FGAF COc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587776611 YHIGCNJFXXRCMX-CLAHSXSESA-N 352.207 3.010 0 1 FGAF CN(C)CCOc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016096 GGGRSXIUXMJDRH-MRXNPFEDSA-N 358.467 3.478 0 1 FGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)[nH]2)N1 587793613 ROAOZZBEZHITKI-NXSYQRQQSA-N 353.191 3.238 0 1 FGAF CCCc1nc(-c2nc3c(OC)cncc3[nH]2)nn1-c1ccccc1F 587155077 JFIBAQZLEQQRQN-UHFFFAOYSA-N 352.373 3.306 0 1 FGAF CCCc1c(O)ccc2c1O[C@@]1(CCSC[C@H]1C(=O)OCC)CC2=O 587496701 SMNOCBKKXVWKFE-LIRRHRJNSA-N 364.463 3.365 0 1 FGAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587591625 WLPRFNBSSBHFTB-QFBILLFUSA-N 365.341 3.210 0 1 FGAF NC(=O)N1CCc2sccc2[C@H]1C(=O)c1ccccc1Br 962701366 AOYRKMQIJUWCOV-ZDUSSCGKSA-N 365.252 3.371 0 1 FGAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(C)(C)Cc2c1cnn2C 963636166 PZUXRRJGTXVZSN-ZSEKCTLFSA-N 355.482 3.188 0 1 FGAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)NC(=O)[C@@]4(C)CC[C@H]32)C1 5711821 FOXNKNXXDGRBFV-NWUJQAFJSA-N 359.466 3.134 0 1 FGAF COc1ccc(/C=C/C(=O)NC2=C(C(=O)O)CCCC2)c(Cl)c1OC 169325591 NQANFDUULSLBMF-CSKARUKUSA-N 365.813 3.399 0 1 FGAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CNC3)cc12 205251965 YYHAIOBDMGQKDY-UHFFFAOYSA-N 361.380 3.177 0 1 FGAF COC(=O)N1CCc2cc(O)c(OC)c3c2[C@@H]1Cc1ccc(OC)c(O)c1-3 205945094 TZUHTYWGQRBGIR-LBPRGKRZSA-N 371.389 3.004 0 1 FGAF CC1(C)Cc2cccc(COc3ccnn3-c3cc(C(=O)O)ccn3)c2O1 146719857 XUYSGGCAQKHJKY-UHFFFAOYSA-N 365.389 3.258 0 1 FGAF